*HEADER    ELECTRON TRANSPORT                      16-APR-96   1MEK      
*TITLE     HUMAN PROTEIN DISULFIDE ISOMERASE, NMR, 40 STRUCTURES         
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PROTEIN DISULFIDE ISOMERASE;                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: PROLYL 4-HYDROXYLASE BETA SUBUNIT;                 
*COMPND   5 EC: 5.3.4.1;                                                 
*COMPND   6 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_PLASMID: PET-12                            
*KEYWDS    ELECTRON TRANSPORT, REDOX-ACTIVE CENTER, ISOMERASE,           
*KEYWDS   2 ENDOPLASMIC RETICULUM                                        
*EXPDTA    NMR, 40 STRUCTURES                                            
*AUTHOR    J.KEMMINK,N.J.DARBY,K.DIJKSTRA,M.NILGES,T.E.CREIGHTON         
*REVDAT   1   12-OCT-04 1MEK    0   


 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "1   " and name "HA  "))
      3.000     1.200     0.500 peak     1 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "1   " and name "HB1 "))
      4.000     2.200     1.000 peak     3 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "1   " and name "HB2 "))
      4.000     2.200     1.000 peak     4 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HB1 ")
     OR 
    ( segid "    " and resid "2   " and name "HB3 ")
     OR 
    ( segid "    " and resid "2   " and name "HB2 "))
      3.000     1.200     0.500 peak     5 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HN  "))
      4.000     2.200     1.000 peak     6 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "16  " and name "HD21"))
      4.000     2.200     1.000 peak     7 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "16  " and name "HD22"))
      4.000     2.200     1.000 peak     8 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HA  "))
      3.000     1.200     0.500 peak    10 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HG2 "))
      4.000     2.200     1.000 peak    12 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB1 "))
      4.000     2.200     1.000 peak    13 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB2 "))
      3.000     1.200     0.500 peak    15 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HN  "))
      4.000     2.200     1.000 peak    16 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HA  "))
      4.000     2.200     1.000 peak    18 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HA  "))
      2.000     0.200     0.500 peak    19 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HG2 "))
      4.000     2.200     1.000 peak    21 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG21")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG22"))
      4.000     2.200     1.000 peak    24 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HN  "))
      3.000     1.200     0.500 peak    27 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HA  "))
      3.000     1.200     0.500 peak    29 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB  "))
      4.000     2.200     1.000 peak    30 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HG2 "))
      4.000     2.200     1.000 peak    32 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HB1 "))
      3.000     1.200     0.500 peak    33 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HB1 "))
      3.000     1.200     0.500 peak    34 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HB2 "))
      3.000     1.200     0.500 peak    36 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "10  " and name "HN  "))
      4.000     2.200     1.000 peak    38 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "8   " and name "HA  "))
      3.000     1.200     0.500 peak    41 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HA  "))
      3.000     1.200     0.500 peak    42 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HB  "))
      3.000     1.200     0.500 peak    43 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
      3.000     1.200     0.500 peak    44 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HA  "))
      3.000     1.200     0.500 peak    47 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB1 "))
      3.000     1.200     0.500 peak    49 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
      3.000     1.200     0.500 peak    52 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD11")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD12"))
      3.000     1.200     0.500 peak    53 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "5   " and name "HA  "))
      3.000     1.200     0.500 peak    55 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HA  "))
      3.000     1.200     0.500 peak    56 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG21")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG22"))
      3.000     1.200     0.500 peak    59 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.000     2.200     1.000 peak    61 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HN  "))
      4.000     2.200     1.000 peak    62 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      4.000     2.200     1.000 peak    63 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
      4.000     2.200     1.000 peak    64 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
      4.000     2.200     1.000 peak    65 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
      4.000     2.200     1.000 peak    66 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HD22"))
      4.000     2.200     1.000 peak    67 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      3.000     1.200     0.500 peak    69 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
      4.000     2.200     1.000 peak    70 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB1 "))
      4.000     2.200     1.000 peak    71 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB1 "))
      3.000     1.200     0.500 peak    72 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 "))
      3.000     1.200     0.500 peak    73 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HN  "))
      3.000     1.200     0.500 peak    79 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HA  "))
      4.000     2.200     1.000 peak    80 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      3.000     1.200     0.500 peak    81 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HA  "))
      3.000     1.200     0.500 peak    82 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HD1 "))
      4.000     2.200     1.000 peak    83 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HG1 "))
      4.000     2.200     1.000 peak    84 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HG2 "))
      4.000     2.200     1.000 peak    85 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB1 "))
      3.000     1.200     0.500 peak    86 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB1 "))
      3.000     1.200     0.500 peak    87 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB2 "))
      3.000     1.200     0.500 peak    88 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      3.000     1.200     0.500 peak    92 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak    93 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
      4.000     2.200     1.000 peak    96 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
      3.000     1.200     0.500 peak    97 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      4.000     2.200     1.000 peak    98 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HA  "))
      4.000     2.200     1.000 peak    99 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB1 "))
      3.000     1.200     0.500 peak   101 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
      3.000     1.200     0.500 peak   102 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB1 "))
      3.000     1.200     0.500 peak   104 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB2 "))
      3.000     1.200     0.500 peak   105 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak   106 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak   107 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HN  "))
      4.000     2.200     1.000 peak   108 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HN  "))
      4.000     2.200     1.000 peak   110 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HN  "))
      3.000     1.200     0.500 peak   112 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.000     1.200     0.500 peak   114 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HA  "))
      4.000     2.200     1.000 peak   115 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB1 "))
      4.000     2.200     1.000 peak   116 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB1 "))
      4.000     2.200     1.000 peak   119 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      4.000     2.200     1.000 peak   120 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB2 "))
      4.000     2.200     1.000 peak   121 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HB2 "))
      4.000     2.200     1.000 peak   122 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB1 "))
      4.000     2.200     1.000 peak   123 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 "))
      4.000     2.200     1.000 peak   124 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
      4.000     2.200     1.000 peak   125 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak   126 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak   127 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HN  "))
      3.000     1.200     0.500 peak   129 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      3.000     1.200     0.500 peak   132 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
      3.000     1.200     0.500 peak   133 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      3.000     1.200     0.500 peak   134 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB2 "))
      3.000     1.200     0.500 peak   135 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
      4.000     2.200     1.000 peak   138 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak   139 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      3.000     1.200     0.500 peak   140 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      3.000     1.200     0.500 peak   141 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HN  "))
      4.000     2.200     1.000 peak   143 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HE1 ")
     OR 
    ( segid "    " and resid "17  " and name "HE2 "))
      4.000     2.200     1.000 peak   146 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      4.000     2.200     1.000 peak   147 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB1 "))
      3.000     1.200     0.500 peak   149 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HB2 "))
      3.000     1.200     0.500 peak   150 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB1 "))
      4.000     2.200     1.000 peak   152 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB2 "))
      4.000     2.200     1.000 peak   153 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB1 ")
     OR 
    ( segid "    " and resid "18  " and name "HB3 ")
     OR 
    ( segid "    " and resid "18  " and name "HB2 "))
      3.000     1.200     0.500 peak   154 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   155 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.000     1.200     0.500 peak   157 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HN  "))
      4.000     2.200     1.000 peak   158 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB1 "))
      3.000     1.200     0.500 peak   163 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HB2 "))
      3.000     1.200     0.500 peak   164 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB1 ")
     OR 
    ( segid "    " and resid "18  " and name "HB3 ")
     OR 
    ( segid "    " and resid "18  " and name "HB2 "))
      3.000     1.200     0.500 peak   165 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      4.000     2.200     1.000 peak   166 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HN  "))
      3.000     1.200     0.500 peak   170 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HN  "))
      4.000     2.200     1.000 peak   171 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HA  "))
      4.000     2.200     1.000 peak   173 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      3.000     1.200     0.500 peak   174 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      3.000     1.200     0.500 peak   181 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 ")
     OR 
    ( segid "    " and resid "23  " and name "HB3 ")
     OR 
    ( segid "    " and resid "23  " and name "HB2 "))
      4.000     2.200     1.000 peak   183 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
      4.000     2.200     1.000 peak   184 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD21")
     OR 
    ( segid "    " and resid "12  " and name "HD23")
     OR 
    ( segid "    " and resid "12  " and name "HD22"))
      4.000     2.200     1.000 peak   186 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HN  "))
      4.000     2.200     1.000 peak   188 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HN  "))
      3.000     1.200     0.500 peak   189 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
      4.000     2.200     1.000 peak   190 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HA  "))
      3.000     1.200     0.500 peak   194 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB1 "))
      3.000     1.200     0.500 peak   195 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      3.000     1.200     0.500 peak   196 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      3.000     1.200     0.500 peak   198 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HN  "))
      4.000     2.200     1.000 peak   200 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HN  "))
      3.000     1.200     0.500 peak   202 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      4.000     2.200     1.000 peak   203 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HA  "))
      3.000     1.200     0.500 peak   204 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB1 "))
      3.000     1.200     0.500 peak   207 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HB1 ")
     OR 
    ( segid "    " and resid "22  " and name "HB3 ")
     OR 
    ( segid "    " and resid "22  " and name "HB2 "))
      3.000     1.200     0.500 peak   208 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
      3.000     1.200     0.500 peak   209 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      4.000     2.200     1.000 peak   212 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      3.000     1.200     0.500 peak   214 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      4.000     2.200     1.000 peak   215 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HB1 ")
     OR 
    ( segid "    " and resid "22  " and name "HB3 ")
     OR 
    ( segid "    " and resid "22  " and name "HB2 "))
      3.000     1.200     0.500 peak   217 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 ")
     OR 
    ( segid "    " and resid "23  " and name "HB3 ")
     OR 
    ( segid "    " and resid "23  " and name "HB2 "))
      3.000     1.200     0.500 peak   218 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HN  "))
      4.000     2.200     1.000 peak   220 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HN  "))
      3.000     1.200     0.500 peak   221 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HA  "))
      3.000     1.200     0.500 peak   222 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HA  "))
      4.000     2.200     1.000 peak   223 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HA  "))
      4.000     2.200     1.000 peak   224 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HA  "))
      4.000     2.200     1.000 peak   225 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB1 "))
      4.000     2.200     1.000 peak   226 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB2 "))
      3.000     1.200     0.500 peak   227 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 ")
     OR 
    ( segid "    " and resid "23  " and name "HB3 ")
     OR 
    ( segid "    " and resid "23  " and name "HB2 "))
      3.000     1.200     0.500 peak   230 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      4.000     2.200     1.000 peak   231 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      4.000     2.200     1.000 peak   232 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HN  "))
      4.000     2.200     1.000 peak   233 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      4.000     2.200     1.000 peak   235 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HE1 ")
     OR 
    ( segid "    " and resid "87  " and name "HE2 "))
      4.000     2.200     1.000 peak   236 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
      4.000     2.200     1.000 peak   237 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HE1 ")
     OR 
    ( segid "    " and resid "26  " and name "HE2 "))
      4.000     2.200     1.000 peak   238 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HA  "))
      4.000     2.200     1.000 peak   239 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      4.000     2.200     1.000 peak   240 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HA  "))
      4.000     2.200     1.000 peak   241 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB1 "))
      4.000     2.200     1.000 peak   242 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB2 "))
      4.000     2.200     1.000 peak   243 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HB2 "))
      4.000     2.200     1.000 peak   244 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG1 "))
      4.000     2.200     1.000 peak   250 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      4.000     2.200     1.000 peak   253 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      4.000     2.200     1.000 peak   256 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB2 "))
      4.000     2.200     1.000 peak   257 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HN  "))
      4.000     2.200     1.000 peak   258 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.000     2.200     1.000 peak   259 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HA  "))
      3.000     1.200     0.500 peak   262 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB1 "))
      4.000     2.200     1.000 peak   264 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      4.000     2.200     1.000 peak   265 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB2 "))
      3.000     1.200     0.500 peak   267 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
      4.000     2.200     1.000 peak   268 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      3.000     1.200     0.500 peak   272 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      4.000     2.200     1.000 peak   273 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      4.000     2.200     1.000 peak   277 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HA  "))
      3.000     1.200     0.500 peak   281 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      3.000     1.200     0.500 peak   282 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HB  "))
      3.000     1.200     0.500 peak   283 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
      3.000     1.200     0.500 peak   284 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      4.000     2.200     1.000 peak   286 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HN  "))
      3.000     1.200     0.500 peak   289 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HA  "))
      3.000     1.200     0.500 peak   294 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
      2.000     0.200     0.500 peak   295 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB1 "))
      3.000     1.200     0.500 peak   296 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
      3.000     1.200     0.500 peak   302 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HN  "))
      4.000     2.200     1.000 peak   303 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HD1 ")
     OR 
    ( segid "    " and resid "31  " and name "HD2 "))
      3.000     1.200     0.500 peak   305 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
      4.000     2.200     1.000 peak   306 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HA  "))
      3.000     1.200     0.500 peak   308 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB1 "))
      3.000     1.200     0.500 peak   309 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB2 "))
      3.000     1.200     0.500 peak   310 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      4.000     2.200     1.000 peak   316 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HD1 ")
     OR 
    ( segid "    " and resid "32  " and name "HD2 "))
      3.000     1.200     0.500 peak   319 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      3.000     1.200     0.500 peak   322 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB1 "))
      4.000     2.200     1.000 peak   323 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB2 "))
      4.000     2.200     1.000 peak   325 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.000     1.200     0.500 peak   326 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
      4.000     2.200     1.000 peak   328 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
      4.000     2.200     1.000 peak   329 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HN  "))
      4.000     2.200     1.000 peak   330 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HD1 ")
     OR 
    ( segid "    " and resid "32  " and name "HD2 "))
      3.000     1.200     0.500 peak   333 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HE1 ")
     OR 
    ( segid "    " and resid "32  " and name "HE2 "))
      4.000     2.200     1.000 peak   334 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      3.000     1.200     0.500 peak   335 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HA  "))
      3.000     1.200     0.500 peak   337 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      4.000     2.200     1.000 peak   338 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
      3.000     1.200     0.500 peak   339 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB2 "))
      4.000     2.200     1.000 peak   341 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak   342 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
      3.000     1.200     0.500 peak   343 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "35  " and name "HA  "))
      3.000     1.200     0.500 peak   346 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB1 "))
      2.000     0.200     0.500 peak   348 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HB2 "))
      3.000     1.200     0.500 peak   349 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HN  "))
      3.000     1.200     0.500 peak   352 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HN  "))
      4.000     2.200     1.000 peak   353 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
      3.000     1.200     0.500 peak   355 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HA  "))
      4.000     2.200     1.000 peak   356 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB2 "))
      3.000     1.200     0.500 peak   359 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG1 "))
      4.000     2.200     1.000 peak   361 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HN  "))
      3.000     1.200     0.500 peak   364 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HA  "))
      3.000     1.200     0.500 peak   367 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG1 "))
      3.000     1.200     0.500 peak   371 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      4.000     2.200     1.000 peak   373 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HN  "))
      4.000     2.200     1.000 peak   374 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      3.000     1.200     0.500 peak   376 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HA  "))
      3.000     1.200     0.500 peak   378 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HA  "))
      4.000     2.200     1.000 peak   379 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HD1 "))
      3.000     1.200     0.500 peak   380 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HD2 "))
      3.000     1.200     0.500 peak   381 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB1 "))
      4.000     2.200     1.000 peak   382 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HB1 "))
      4.000     2.200     1.000 peak   385 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB1 ")
     OR 
    ( segid "    " and resid "41  " and name "HB3 ")
     OR 
    ( segid "    " and resid "41  " and name "HB2 "))
      4.000     2.200     1.000 peak   387 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      2.000     0.200     0.500 peak   388 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HN  "))
      3.000     1.200     0.500 peak   392 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HN  "))
      4.000     2.200     1.000 peak   393 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      4.000     2.200     1.000 peak   394 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      3.000     1.200     0.500 peak   397 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      4.000     2.200     1.000 peak   398 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.000     1.200     0.500 peak   399 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB1 "))
      4.000     2.200     1.000 peak   400 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG1 "))
      3.000     1.200     0.500 peak   401 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB2 "))
      4.000     2.200     1.000 peak   402 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      4.000     2.200     1.000 peak   406 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HD11")
     OR 
    ( segid "    " and resid "42  " and name "HD13")
     OR 
    ( segid "    " and resid "42  " and name "HD12"))
      4.000     2.200     1.000 peak   408 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HN  "))
      4.000     2.200     1.000 peak   409 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.000     1.200     0.500 peak   410 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.000     2.200     1.000 peak   414 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HA  "))
      4.000     2.200     1.000 peak   415 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      3.000     1.200     0.500 peak   416 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB1 "))
      3.000     1.200     0.500 peak   417 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG1 "))
      4.000     2.200     1.000 peak   418 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB2 "))
      3.000     1.200     0.500 peak   419 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG  "))
      3.000     1.200     0.500 peak   423 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      4.000     2.200     1.000 peak   426 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.000     1.200     0.500 peak   427 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
      3.000     1.200     0.500 peak   430 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HA  "))
      4.000     2.200     1.000 peak   432 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HA  "))
      3.000     1.200     0.500 peak   433 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HA  "))
      4.000     2.200     1.000 peak   434 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB1 "))
      3.000     1.200     0.500 peak   435 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HB2 "))
      4.000     2.200     1.000 peak   436 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      3.000     1.200     0.500 peak   438 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
      4.000     2.200     1.000 peak   440 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      3.000     1.200     0.500 peak   441 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HA  "))
      4.000     2.200     1.000 peak   442 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB1 "))
      3.000     1.200     0.500 peak   447 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB2 "))
      3.000     1.200     0.500 peak   448 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      3.000     1.200     0.500 peak   450 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      3.000     1.200     0.500 peak   451 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
      4.000     2.200     1.000 peak   452 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
      4.000     2.200     1.000 peak   454 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HN  "))
      4.000     2.200     1.000 peak   455 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.000     1.200     0.500 peak   457 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
      3.000     1.200     0.500 peak   459 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA1 "))
      3.000     1.200     0.500 peak   460 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA  "))
      4.000     2.200     1.000 peak   461 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA2 "))
      3.000     1.200     0.500 peak   462 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HB1 ")
     OR 
    ( segid "    " and resid "50  " and name "HB3 ")
     OR 
    ( segid "    " and resid "50  " and name "HB2 "))
      3.000     1.200     0.500 peak   465 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
      4.000     2.200     1.000 peak   466 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
      4.000     2.200     1.000 peak   467 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak   468 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      4.000     2.200     1.000 peak   471 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HA  "))
      3.000     1.200     0.500 peak   472 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA1 "))
      3.000     1.200     0.500 peak   473 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA  "))
      3.000     1.200     0.500 peak   474 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA2 "))
      3.000     1.200     0.500 peak   475 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HG1 "))
      3.000     1.200     0.500 peak   480 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HG2 "))
      3.000     1.200     0.500 peak   481 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      4.000     2.200     1.000 peak   482 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
      3.000     1.200     0.500 peak   485 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB1 "))
      3.000     1.200     0.500 peak   488 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HG  "))
      3.000     1.200     0.500 peak   489 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG1 "))
      4.000     2.200     1.000 peak   491 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG2 "))
      4.000     2.200     1.000 peak   492 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      4.000     2.200     1.000 peak   493 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD21")
     OR 
    ( segid "    " and resid "53  " and name "HD23")
     OR 
    ( segid "    " and resid "53  " and name "HD22"))
      4.000     2.200     1.000 peak   494 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HN  "))
      3.000     1.200     0.500 peak   495 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HN  "))
      3.000     1.200     0.500 peak   496 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA2 "))
      4.000     2.200     1.000 peak   499 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB1 "))
      4.000     2.200     1.000 peak   502 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HB1 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB2 "))
      3.000     1.200     0.500 peak   504 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG1 "))
      4.000     2.200     1.000 peak   505 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HG2 "))
      4.000     2.200     1.000 peak   506 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HN  "))
      3.000     1.200     0.500 peak   507 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HN  "))
      4.000     2.200     1.000 peak   508 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HA  "))
      3.000     1.200     0.500 peak   509 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HB1 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB2 "))
      3.000     1.200     0.500 peak   514 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      4.000     2.200     1.000 peak   515 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HN  "))
      3.000     1.200     0.500 peak   516 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HA  "))
      3.000     1.200     0.500 peak   518 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA2 "))
      3.000     1.200     0.500 peak   521 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HB1 ")
     OR 
    ( segid "    " and resid "55  " and name "HB3 ")
     OR 
    ( segid "    " and resid "55  " and name "HB2 "))
      4.000     2.200     1.000 peak   524 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HN  "))
      4.000     2.200     1.000 peak   525 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HN  "))
      4.000     2.200     1.000 peak   526 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HA  "))
      4.000     2.200     1.000 peak   529 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HA  "))
      3.000     1.200     0.500 peak   530 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA1 "))
      3.000     1.200     0.500 peak   531 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      3.000     1.200     0.500 peak   532 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      3.000     1.200     0.500 peak   533 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HB2 "))
      4.000     2.200     1.000 peak   535 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB1 "))
      4.000     2.200     1.000 peak   536 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      4.000     2.200     1.000 peak   537 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HD11")
     OR 
    ( segid "    " and resid "60  " and name "HD13")
     OR 
    ( segid "    " and resid "60  " and name "HD12"))
      4.000     2.200     1.000 peak   538 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD21")
     OR 
    ( segid "    " and resid "53  " and name "HD23")
     OR 
    ( segid "    " and resid "53  " and name "HD22"))
      4.000     2.200     1.000 peak   539 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HN  "))
      3.000     1.200     0.500 peak   540 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      3.000     1.200     0.500 peak   542 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
      4.000     2.200     1.000 peak   544 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      4.000     2.200     1.000 peak   545 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB2 "))
      3.000     1.200     0.500 peak   547 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HD11")
     OR 
    ( segid "    " and resid "60  " and name "HD13")
     OR 
    ( segid "    " and resid "60  " and name "HD12"))
      4.000     2.200     1.000 peak   550 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
      4.000     2.200     1.000 peak   552 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HA  "))
      3.000     1.200     0.500 peak   553 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HA  "))
      3.000     1.200     0.500 peak   554 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB2 "))
      4.000     2.200     1.000 peak   555 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HG11"))
      3.000     1.200     0.500 peak   557 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HD11")
     OR 
    ( segid "    " and resid "60  " and name "HD13")
     OR 
    ( segid "    " and resid "60  " and name "HD12"))
      3.000     1.200     0.500 peak   559 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD21")
     OR 
    ( segid "    " and resid "53  " and name "HD23")
     OR 
    ( segid "    " and resid "53  " and name "HD22"))
      4.000     2.200     1.000 peak   560 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HE1 ")
     OR 
    ( segid "    " and resid "87  " and name "HE2 "))
      4.000     2.200     1.000 peak   562 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      3.000     1.200     0.500 peak   564 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HA  "))
      3.000     1.200     0.500 peak   565 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB1 "))
      4.000     2.200     1.000 peak   566 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HB2 "))
      3.000     1.200     0.500 peak   567 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB  "))
      3.000     1.200     0.500 peak   568 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      3.000     1.200     0.500 peak   571 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HA  "))
      3.000     1.200     0.500 peak   573 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HN  "))
      4.000     2.200     1.000 peak   583 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
      4.000     2.200     1.000 peak   585 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
      3.000     1.200     0.500 peak   586 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      4.000     2.200     1.000 peak   587 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HB1 "))
      4.000     2.200     1.000 peak   591 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      3.000     1.200     0.500 peak   593 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HB2 "))
      4.000     2.200     1.000 peak   594 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
      4.000     2.200     1.000 peak   595 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak   599 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      3.000     1.200     0.500 peak   602 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      4.000     2.200     1.000 peak   603 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HA  "))
      3.000     1.200     0.500 peak   605 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HB  "))
      4.000     2.200     1.000 peak   606 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      3.000     1.200     0.500 peak   608 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
      4.000     2.200     1.000 peak   610 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD21")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD22"))
      4.000     2.200     1.000 peak   611 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HD21")
     OR 
    ( segid "    " and resid "12  " and name "HD23")
     OR 
    ( segid "    " and resid "12  " and name "HD22"))
      4.000     2.200     1.000 peak   612 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.000     2.200     1.000 peak   613 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HD1 ")
     OR 
    ( segid "    " and resid "32  " and name "HD2 "))
      3.000     1.200     0.500 peak   616 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HE1 ")
     OR 
    ( segid "    " and resid "32  " and name "HE2 "))
      3.000     1.200     0.500 peak   617 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      3.000     1.200     0.500 peak   618 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HB2 "))
      3.000     1.200     0.500 peak   620 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HB  "))
      3.000     1.200     0.500 peak   621 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
      3.000     1.200     0.500 peak   624 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HN  "))
      3.000     1.200     0.500 peak   626 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      4.000     2.200     1.000 peak   627 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.000     1.200     0.500 peak   628 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HN  "))
      4.000     2.200     1.000 peak   629 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HD1 ")
     OR 
    ( segid "    " and resid "32  " and name "HD2 "))
      4.000     2.200     1.000 peak   630 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HA  "))
      3.000     1.200     0.500 peak   633 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HA  "))
      3.000     1.200     0.500 peak   634 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak   636 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.000     1.200     0.500 peak   637 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak   638 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
      4.000     2.200     1.000 peak   640 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HN  "))
      3.000     1.200     0.500 peak   642 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HD1 "))
      4.000     2.200     1.000 peak   647 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
      4.000     2.200     1.000 peak   650 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      3.000     1.200     0.500 peak   652 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      3.000     1.200     0.500 peak   653 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
      4.000     2.200     1.000 peak   654 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HN  "))
      3.000     1.200     0.500 peak   657 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HN  "))
      4.000     2.200     1.000 peak   658 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HA  "))
      3.000     1.200     0.500 peak   659 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HA  "))
      3.000     1.200     0.500 peak   660 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HA  "))
      4.000     2.200     1.000 peak   661 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HB1 "))
      4.000     2.200     1.000 peak   663 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HG1 "))
      4.000     2.200     1.000 peak   664 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
      3.000     1.200     0.500 peak   666 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
      3.000     1.200     0.500 peak   667 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      4.000     2.200     1.000 peak   668 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      4.000     2.200     1.000 peak   669 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak   670 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
      4.000     2.200     1.000 peak   671 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HN  "))
      3.000     1.200     0.500 peak   672 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.000     1.200     0.500 peak   674 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HG1 "))
      4.000     2.200     1.000 peak   679 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      3.000     1.200     0.500 peak   682 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HN  "))
      3.000     1.200     0.500 peak   686 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HN  "))
      4.000     2.200     1.000 peak   688 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HA  "))
      3.000     1.200     0.500 peak   691 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HA  "))
      3.000     1.200     0.500 peak   693 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      4.000     2.200     1.000 peak   696 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak   697 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
      4.000     2.200     1.000 peak   698 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
      4.000     2.200     1.000 peak   699 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HN  "))
      3.000     1.200     0.500 peak   700 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HA  "))
      3.000     1.200     0.500 peak   702 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB1 "))
      3.000     1.200     0.500 peak   705 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB2 "))
      3.000     1.200     0.500 peak   706 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HN  "))
      4.000     2.200     1.000 peak   712 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
      3.000     1.200     0.500 peak   713 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
      4.000     2.200     1.000 peak   715 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HA  "))
      4.000     2.200     1.000 peak   717 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HA  "))
      3.000     1.200     0.500 peak   718 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HA  "))
      4.000     2.200     1.000 peak   719 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB1 "))
      3.000     1.200     0.500 peak   720 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HB2 "))
      3.000     1.200     0.500 peak   721 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
      4.000     2.200     1.000 peak   725 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak   726 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak   727 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HN  "))
      3.000     1.200     0.500 peak   728 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HN  "))
      3.000     1.200     0.500 peak   729 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HA  "))
      4.000     2.200     1.000 peak   730 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HA  "))
      4.000     2.200     1.000 peak   731 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HA  "))
      3.000     1.200     0.500 peak   732 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HA  "))
      4.000     2.200     1.000 peak   734 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HG1 "))
      4.000     2.200     1.000 peak   735 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HG2 "))
      4.000     2.200     1.000 peak   736 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      3.000     1.200     0.500 peak   739 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "78  " and name "HN  "))
      4.000     2.200     1.000 peak   740 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HD1 ")
     OR 
    ( segid "    " and resid "77  " and name "HD2 "))
      4.000     2.200     1.000 peak   741 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.000     1.200     0.500 peak   742 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HA  "))
      4.000     2.200     1.000 peak   744 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HA  "))
      3.000     1.200     0.500 peak   746 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HG1 "))
      4.000     2.200     1.000 peak   747 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HG2 "))
      4.000     2.200     1.000 peak   748 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB1 "))
      3.000     1.200     0.500 peak   750 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB2 "))
      3.000     1.200     0.500 peak   751 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HG2 "))
      4.000     2.200     1.000 peak   752 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak   753 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HN  "))
      4.000     2.200     1.000 peak   755 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HN  "))
      4.000     2.200     1.000 peak   757 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HD1 ")
     OR 
    ( segid "    " and resid "77  " and name "HD2 "))
      3.000     1.200     0.500 peak   758 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HE1 ")
     OR 
    ( segid "    " and resid "77  " and name "HE2 "))
      4.000     2.200     1.000 peak   759 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HA  "))
      3.000     1.200     0.500 peak   760 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HB1 "))
      3.000     1.200     0.500 peak   764 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HB2 "))
      3.000     1.200     0.500 peak   765 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB1 "))
      3.000     1.200     0.500 peak   766 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB2 "))
      3.000     1.200     0.500 peak   767 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HG2 "))
      4.000     2.200     1.000 peak   768 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak   769 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak   770 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HN  "))
      4.000     2.200     1.000 peak   771 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HN  "))
      3.000     1.200     0.500 peak   773 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HD1 ")
     OR 
    ( segid "    " and resid "77  " and name "HD2 "))
      4.000     2.200     1.000 peak   774 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.000     1.200     0.500 peak   775 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HA  "))
      3.000     1.200     0.500 peak   777 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "78  " and name "HA1 "))
      3.000     1.200     0.500 peak   778 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "78  " and name "HA2 "))
      3.000     1.200     0.500 peak   779 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "77  " and name "HB1 "))
      4.000     2.200     1.000 peak   780 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak   783 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
      4.000     2.200     1.000 peak   784 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak   785 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "81  " and name "HN  "))
      3.000     1.200     0.500 peak   786 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HA  "))
      3.000     1.200     0.500 peak   787 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HB1 "))
      3.000     1.200     0.500 peak   790 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HG21")
     OR 
    ( segid "    " and resid "84  " and name "HG23")
     OR 
    ( segid "    " and resid "84  " and name "HG22"))
      4.000     2.200     1.000 peak   793 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HN  "))
      4.000     2.200     1.000 peak   795 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HA  "))
      4.000     2.200     1.000 peak   796 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "81  " and name "HA1 "))
      3.000     1.200     0.500 peak   798 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HA  "))
      4.000     2.200     1.000 peak   799 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "81  " and name "HA2 "))
      3.000     1.200     0.500 peak   800 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HB1 "))
      4.000     2.200     1.000 peak   801 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
      3.000     1.200     0.500 peak   803 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HD1 ")
     OR 
    ( segid "    " and resid "82  " and name "HD2 "))
      3.000     1.200     0.500 peak   805 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HE1 ")
     OR 
    ( segid "    " and resid "82  " and name "HE2 "))
      4.000     2.200     1.000 peak   806 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HN  "))
   (( segid "    " and resid "83  " and name "HA  "))
      4.000     2.200     1.000 peak   807 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB1 "))
      4.000     2.200     1.000 peak   809 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB2 "))
      3.000     1.200     0.500 peak   810 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.000     1.200     0.500 peak   811 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HN  "))
      4.000     2.200     1.000 peak   812 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HD1 ")
     OR 
    ( segid "    " and resid "82  " and name "HD2 "))
      3.000     1.200     0.500 peak   814 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HA  "))
      3.000     1.200     0.500 peak   817 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HA  "))
      4.000     2.200     1.000 peak   818 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HA  "))
      3.000     1.200     0.500 peak   819 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HB  "))
      3.000     1.200     0.500 peak   820 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB1 "))
      4.000     2.200     1.000 peak   821 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB1 "))
      4.000     2.200     1.000 peak   822 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "83  " and name "HB1 "))
      4.000     2.200     1.000 peak   824 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HB  "))
      4.000     2.200     1.000 peak   831 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "99  " and name "HB1 "))
      4.000     2.200     1.000 peak   832 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HB  "))
      3.000     1.200     0.500 peak   833 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG11"))
      4.000     2.200     1.000 peak   835 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HG21")
     OR 
    ( segid "    " and resid "84  " and name "HG23")
     OR 
    ( segid "    " and resid "84  " and name "HG22"))
      3.000     1.200     0.500 peak   836 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
      4.000     2.200     1.000 peak   837 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HA  "))
      3.000     1.200     0.500 peak   838 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HA  "))
      3.000     1.200     0.500 peak   839 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB1 "))
      4.000     2.200     1.000 peak   840 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HB1 "))
      4.000     2.200     1.000 peak   841 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HG2 "))
      4.000     2.200     1.000 peak   842 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
      4.000     2.200     1.000 peak   843 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
      3.000     1.200     0.500 peak   844 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.000     2.200     1.000 peak   845 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HN  "))
      3.000     1.200     0.500 peak   847 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "99  " and name "HN  "))
      4.000     2.200     1.000 peak   848 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HA  "))
      4.000     2.200     1.000 peak   851 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HA  "))
      3.000     1.200     0.500 peak   852 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "98  " and name "HA  "))
      3.000     1.200     0.500 peak   853 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB1 "))
      3.000     1.200     0.500 peak   854 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB2 "))
      3.000     1.200     0.500 peak   855 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HB1 "))
      3.000     1.200     0.500 peak   857 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
      4.000     2.200     1.000 peak   861 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HN  "))
      4.000     2.200     1.000 peak   862 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HD1 ")
     OR 
    ( segid "    " and resid "88  " and name "HD2 "))
      3.000     1.200     0.500 peak   864 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HE1 ")
     OR 
    ( segid "    " and resid "88  " and name "HE2 "))
      4.000     2.200     1.000 peak   865 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HA  "))
      3.000     1.200     0.500 peak   866 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      3.000     1.200     0.500 peak   867 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HA  "))
      3.000     1.200     0.500 peak   868 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB1 "))
      4.000     2.200     1.000 peak   869 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB2 "))
      4.000     2.200     1.000 peak   870 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HB1 "))
      3.000     1.200     0.500 peak   871 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HB2 "))
      3.000     1.200     0.500 peak   872 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB2 "))
      4.000     2.200     1.000 peak   874 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
      3.000     1.200     0.500 peak   875 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
      4.000     2.200     1.000 peak   876 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HN  "))
      4.000     2.200     1.000 peak   878 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HD1 ")
     OR 
    ( segid "    " and resid "88  " and name "HD2 "))
      4.000     2.200     1.000 peak   881 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HA  "))
      4.000     2.200     1.000 peak   884 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HA  "))
      4.000     2.200     1.000 peak   885 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HB1 "))
      4.000     2.200     1.000 peak   887 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HB2 "))
      4.000     2.200     1.000 peak   888 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB1 "))
      3.000     1.200     0.500 peak   889 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB2 "))
      4.000     2.200     1.000 peak   890 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "91  " and name "HN  "))
      3.000     1.200     0.500 peak   892 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
      4.000     2.200     1.000 peak   895 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HA  "))
      3.000     1.200     0.500 peak   898 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HA  "))
      3.000     1.200     0.500 peak   899 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HB1 "))
      3.000     1.200     0.500 peak   900 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HB2 "))
      3.000     1.200     0.500 peak   901 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB2 "))
      4.000     2.200     1.000 peak   903 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG1 "))
      4.000     2.200     1.000 peak   906 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HN  "))
      3.000     1.200     0.500 peak   908 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HA  "))
      4.000     2.200     1.000 peak   909 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HA  "))
      3.000     1.200     0.500 peak   910 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "91  " and name "HA1 "))
      3.000     1.200     0.500 peak   911 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "91  " and name "HA2 "))
      3.000     1.200     0.500 peak   912 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HB1 "))
      4.000     2.200     1.000 peak   913 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "90  " and name "HB2 "))
      4.000     2.200     1.000 peak   914 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      4.000     2.200     1.000 peak   918 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HN  "))
      4.000     2.200     1.000 peak   920 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "93  " and name "HN  "))
      3.000     1.200     0.500 peak   921 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HA  "))
      3.000     1.200     0.500 peak   922 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "91  " and name "HA1 "))
      3.000     1.200     0.500 peak   923 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HB1 "))
      3.000     1.200     0.500 peak   925 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HB2 "))
      3.000     1.200     0.500 peak   926 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      4.000     2.200     1.000 peak   927 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "93  " and name "HA  "))
      4.000     2.200     1.000 peak   931 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HB1 "))
      4.000     2.200     1.000 peak   932 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "92  " and name "HB2 "))
      4.000     2.200     1.000 peak   933 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "93  " and name "HG21")
     OR 
    ( segid "    " and resid "93  " and name "HG23")
     OR 
    ( segid "    " and resid "93  " and name "HG22"))
      3.000     1.200     0.500 peak   935 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   936 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "94  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HA  "))
      3.000     1.200     0.500 peak   938 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "94  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HB1 ")
     OR 
    ( segid "    " and resid "94  " and name "HB3 ")
     OR 
    ( segid "    " and resid "94  " and name "HB2 "))
      3.000     1.200     0.500 peak   939 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HN  "))
      3.000     1.200     0.500 peak   940 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "95  " and name "HA  "))
      3.000     1.200     0.500 peak   941 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "95  " and name "HB1 "))
      4.000     2.200     1.000 peak   943 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "95  " and name "HB2 "))
      3.000     1.200     0.500 peak   944 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HD2 "))
      4.000     2.200     1.000 peak   945 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HB1 ")
     OR 
    ( segid "    " and resid "94  " and name "HB3 ")
     OR 
    ( segid "    " and resid "94  " and name "HB2 "))
      3.000     1.200     0.500 peak   946 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "98  " and name "HN  "))
      4.000     2.200     1.000 peak   948 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HD1 ")
     OR 
    ( segid "    " and resid "87  " and name "HD2 "))
      4.000     2.200     1.000 peak   949 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HA  "))
      3.000     1.200     0.500 peak   951 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB1 "))
      4.000     2.200     1.000 peak   953 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HB2 "))
      4.000     2.200     1.000 peak   954 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HB1 "))
      3.000     1.200     0.500 peak   955 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HB2 "))
      3.000     1.200     0.500 peak   956 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HB1 "))
      3.000     1.200     0.500 peak   960 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HB2 "))
      4.000     2.200     1.000 peak   961 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HA  "))
      2.000     0.200     0.500 peak   964 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "98  " and name "HA  "))
      4.000     2.200     1.000 peak   965 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HB2 "))
      4.000     2.200     1.000 peak   968 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "100 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HE1 "))
      3.000     1.200     0.500 peak   973 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "100 " and name "HN  "))
   (( segid "    " and resid "99  " and name "HD1 ")
     OR 
    ( segid "    " and resid "99  " and name "HD2 "))
      3.000     1.200     0.500 peak   974 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "100 " and name "HN  "))
   (( segid "    " and resid "100 " and name "HA  "))
      3.000     1.200     0.500 peak   976 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "100 " and name "HN  "))
   (( segid "    " and resid "99  " and name "HA  "))
      2.000     0.200     0.500 peak   977 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "100 " and name "HN  "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
      3.000     1.200     0.500 peak   981 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HN  "))
      3.000     1.200     0.500 peak   982 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "101 " and name "HA  "))
      3.000     1.200     0.500 peak   983 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB2 "))
      3.000     1.200     0.500 peak   986 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
      3.000     1.200     0.500 peak   987 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HN  "))
      3.000     1.200     0.500 peak   989 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HA  "))
      3.000     1.200     0.500 peak   990 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB1 "))
      4.000     2.200     1.000 peak   993 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "42  " and name "HD11")
     OR 
    ( segid "    " and resid "42  " and name "HD13")
     OR 
    ( segid "    " and resid "42  " and name "HD12"))
      4.000     2.200     1.000 peak   995 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HN  "))
      4.000     2.200     1.000 peak   997 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HN  "))
      4.000     2.200     1.000 peak   999 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HA  "))
      3.000     1.200     0.500 peak  1001 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HA  "))
      3.000     1.200     0.500 peak  1002 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HG1 "))
      3.000     1.200     0.500 peak  1006 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HB2 "))
      4.000     2.200     1.000 peak  1010 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1012 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HN  "))
      3.000     1.200     0.500 peak  1013 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HN  "))
      4.000     2.200     1.000 peak  1015 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "45  " and name "HA  "))
      3.000     1.200     0.500 peak  1017 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HA  "))
      3.000     1.200     0.500 peak  1018 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
      3.000     1.200     0.500 peak  1019 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB2 "))
      3.000     1.200     0.500 peak  1020 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      3.000     1.200     0.500 peak  1021 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HN  "))
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
      4.000     2.200     1.000 peak  1022 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HN  "))
      4.000     2.200     1.000 peak  1025 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HA  "))
      4.000     2.200     1.000 peak  1027 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HA  "))
      3.000     1.200     0.500 peak  1028 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HA  "))
      4.000     2.200     1.000 peak  1029 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HB2 "))
      3.000     1.200     0.500 peak  1030 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB2 "))
      4.000     2.200     1.000 peak  1032 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      3.000     1.200     0.500 peak  1034 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      4.000     2.200     1.000 peak  1035 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HN  "))
      3.000     1.200     0.500 peak  1036 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HN  "))
      4.000     2.200     1.000 peak  1038 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HN  "))
      3.000     1.200     0.500 peak  1039 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HA  "))
      3.000     1.200     0.500 peak  1040 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB1 "))
      3.000     1.200     0.500 peak  1042 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB2 "))
      3.000     1.200     0.500 peak  1043 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB2 "))
      4.000     2.200     1.000 peak  1046 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HB  "))
      4.000     2.200     1.000 peak  1048 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      4.000     2.200     1.000 peak  1049 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1050 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HN  "))
      3.000     1.200     0.500 peak  1052 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
      4.000     2.200     1.000 peak  1055 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HA  "))
      3.000     1.200     0.500 peak  1056 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HA  "))
      3.000     1.200     0.500 peak  1057 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB1 "))
      3.000     1.200     0.500 peak  1058 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB2 "))
      3.000     1.200     0.500 peak  1059 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HB  "))
      3.000     1.200     0.500 peak  1062 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000

 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HN  "))
      3.000     1.200     0.500 peak  1067 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HA  "))
      3.000     1.200     0.500 peak  1070 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HA  "))
      3.000     1.200     0.500 peak  1071 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HB1 "))
      4.000     2.200     1.000 peak  1072 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HB  "))
      3.000     1.200     0.500 peak  1074 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HB  "))
      3.000     1.200     0.500 peak  1075 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      4.000     2.200     1.000 peak  1076 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
      3.000     1.200     0.500 peak  1077 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      3.000     1.200     0.500 peak  1078 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG21")
     OR 
    ( segid "    " and resid "108 " and name "HG23")
     OR 
    ( segid "    " and resid "108 " and name "HG22"))
      3.000     1.200     0.500 peak  1081 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HN  "))
      3.000     1.200     0.500 peak  1082 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HD21"))
      4.000     2.200     1.000 peak  1084 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HA  "))
      4.000     2.200     1.000 peak  1087 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HB1 "))
      3.000     1.200     0.500 peak  1088 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HB2 "))
      3.000     1.200     0.500 peak  1089 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HB  "))
      3.000     1.200     0.500 peak  1090 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      4.000     2.200     1.000 peak  1091 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG21")
     OR 
    ( segid "    " and resid "109 " and name "HG23")
     OR 
    ( segid "    " and resid "109 " and name "HG22"))
      3.000     1.200     0.500 peak  1092 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HN  "))
      3.000     1.200     0.500 peak  1094 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HA  "))
      3.000     1.200     0.500 peak  1098 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HB1 "))
      3.000     1.200     0.500 peak  1099 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HB2 "))
      3.000     1.200     0.500 peak  1100 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HB1 "))
      3.000     1.200     0.500 peak  1101 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HB2 "))
      3.000     1.200     0.500 peak  1102 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
      4.000     2.200     1.000 peak  1104 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
      4.000     2.200     1.000 peak  1107 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HA  "))
      3.000     1.200     0.500 peak  1110 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HB2 "))
      3.000     1.200     0.500 peak  1113 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HD11")
     OR 
    ( segid "    " and resid "112 " and name "HD13")
     OR 
    ( segid "    " and resid "112 " and name "HD12"))
      3.000     1.200     0.500 peak  1115 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HN  "))
      3.000     1.200     0.500 peak  1117 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HA  "))
      3.000     1.200     0.500 peak  1118 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HA  "))
      3.000     1.200     0.500 peak  1120 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HA  "))
      4.000     2.200     1.000 peak  1121 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HB1 "))
      3.000     1.200     0.500 peak  1122 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG21")
     OR 
    ( segid "    " and resid "109 " and name "HG23")
     OR 
    ( segid "    " and resid "109 " and name "HG22"))
      3.000     1.200     0.500 peak  1127 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HA  "))
      4.000     2.200     1.000 peak  1130 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HA  "))
      4.000     2.200     1.000 peak  1132 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HA  "))
      4.000     2.200     1.000 peak  1133 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HG1 "))
      4.000     2.200     1.000 peak  1137 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "117 " and name "HN  "))
      3.000     1.200     0.500 peak  1139 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "115 " and name "HN  "))
      3.000     1.200     0.500 peak  1140 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HA  "))
      3.000     1.200     0.500 peak  1141 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HB  "))
      4.000     2.200     1.000 peak  1144 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HA  "))
      4.000     2.200     1.000 peak  1145 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "115 " and name "HB2 "))
      4.000     2.200     1.000 peak  1147 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HG21")
     OR 
    ( segid "    " and resid "116 " and name "HG23")
     OR 
    ( segid "    " and resid "116 " and name "HG22"))
      3.000     1.200     0.500 peak  1148 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "117 " and name "HA2 "))
      3.000     1.200     0.500 peak  1152 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HB  "))
      4.000     2.200     1.000 peak  1153 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HA  "))
      4.000     2.200     1.000 peak  1154 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HG21")
     OR 
    ( segid "    " and resid "116 " and name "HG23")
     OR 
    ( segid "    " and resid "116 " and name "HG22"))
      4.000     2.200     1.000 peak  1158 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "120 " and name "HN  "))
      4.000     2.200     1.000 peak  1159 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HA  "))
      3.000     1.200     0.500 peak  1160 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "119 " and name "HA  "))
      4.000     2.200     1.000 peak  1161 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HB1 "))
      4.000     2.200     1.000 peak  1164 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "119 " and name "HB1 ")
     OR 
    ( segid "    " and resid "119 " and name "HB3 ")
     OR 
    ( segid "    " and resid "119 " and name "HB2 "))
      3.000     1.200     0.500 peak  1166 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "120 " and name "HN  "))
   (( segid "    " and resid "119 " and name "HA  "))
      4.000     2.200     1.000 peak  1168 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "120 " and name "HN  "))
   (( segid "    " and resid "120 " and name "HB1 ")
     OR 
    ( segid "    " and resid "120 " and name "HB3 ")
     OR 
    ( segid "    " and resid "120 " and name "HB2 "))
      4.000     2.200     1.000 peak  1170 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "1   " and name "HA  "))
   (( segid "    " and resid "1   " and name "HB1 "))
      4.000     2.200     1.000 peak  1174 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "1   " and name "HA  "))
   (( segid "    " and resid "1   " and name "HB2 "))
      4.000     2.200     1.000 peak  1175 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "2   " and name "HA  "))
      3.000     1.200     0.500 peak  1179 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HD1 "))
      4.000     2.200     1.000 peak  1181 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HN  "))
   (( segid "    " and resid "3   " and name "HD2 "))
      4.000     2.200     1.000 peak  1182 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HD1 "))
      2.000     0.200     0.500 peak  1184 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HD2 "))
      2.000     0.200     0.500 peak  1185 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "3   " and name "HA  "))
   (( segid "    " and resid "4   " and name "HN  "))
      2.000     0.200     0.500 peak  1186 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "3   " and name "HB2 "))
   (( segid "    " and resid "4   " and name "HN  "))
      4.000     2.200     1.000 peak  1187 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "4   " and name "HG1 "))
   (( segid "    " and resid "5   " and name "HN  "))
      3.000     1.200     0.500 peak  1193 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HB1 "))
      4.000     2.200     1.000 peak  1195 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HB2 "))
      4.000     2.200     1.000 peak  1196 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "5   " and name "HA  "))
   (( segid "    " and resid "6   " and name "HN  "))
      2.000     0.200     0.500 peak  1198 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
      4.000     2.200     1.000 peak  1202 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "7   " and name "HB1 "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      3.000     1.200     0.500 peak  1203 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "7   " and name "HB2 "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      3.000     1.200     0.500 peak  1204 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HA  "))
   (( segid "    " and resid "10  " and name "HN  "))
      2.000     0.200     0.500 peak  1209 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HA  "))
   (( segid "    " and resid "50  " and name "HB1 ")
     OR 
    ( segid "    " and resid "50  " and name "HB3 ")
     OR 
    ( segid "    " and resid "50  " and name "HB2 "))
      4.000     2.200     1.000 peak  1210 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HB  "))
   (( segid "    " and resid "10  " and name "HN  "))
      4.000     2.200     1.000 peak  1211 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
      3.000     1.200     0.500 peak  1212 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
      4.000     2.200     1.000 peak  1213 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
   (( segid "    " and resid "63  " and name "HA  "))
      4.000     2.200     1.000 peak  1217 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
      4.000     2.200     1.000 peak  1219 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HA  "))
      2.000     0.200     0.500 peak  1220 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      4.000     2.200     1.000 peak  1221 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HA  "))
   (( segid "    " and resid "11  " and name "HN  "))
      2.000     0.200     0.500 peak  1222 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HB2 "))
   (( segid "    " and resid "11  " and name "HN  "))
      3.000     1.200     0.500 peak  1224 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HD11")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD12"))
   (( segid "    " and resid "11  " and name "HN  "))
      4.000     2.200     1.000 peak  1225 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HD21")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD22"))
   (( segid "    " and resid "11  " and name "HN  "))
      3.000     1.200     0.500 peak  1226 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "11  " and name "HA  "))
   (( segid "    " and resid "12  " and name "HN  "))
      4.000     2.200     1.000 peak  1228 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "11  " and name "HB  "))
   (( segid "    " and resid "12  " and name "HN  "))
      4.000     2.200     1.000 peak  1230 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HN  "))
      3.000     1.200     0.500 peak  1233 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.000     2.200     1.000 peak  1234 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HN  "))
      4.000     2.200     1.000 peak  1235 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HA  "))
   (( segid "    " and resid "13  " and name "HN  "))
      2.000     0.200     0.500 peak  1236 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
   (( segid "    " and resid "13  " and name "HN  "))
      3.000     1.200     0.500 peak  1238 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
   (( segid "    " and resid "16  " and name "HD21"))
      4.000     2.200     1.000 peak  1239 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
   (( segid "    " and resid "16  " and name "HD22"))
      4.000     2.200     1.000 peak  1240 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD11")
     OR 
    ( segid "    " and resid "12  " and name "HD13")
     OR 
    ( segid "    " and resid "12  " and name "HD12"))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      3.000     1.200     0.500 peak  1241 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD21")
     OR 
    ( segid "    " and resid "12  " and name "HD23")
     OR 
    ( segid "    " and resid "12  " and name "HD22"))
   (( segid "    " and resid "13  " and name "HN  "))
      4.000     2.200     1.000 peak  1242 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HD21")
     OR 
    ( segid "    " and resid "12  " and name "HD23")
     OR 
    ( segid "    " and resid "12  " and name "HD22"))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      3.000     1.200     0.500 peak  1243 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "70  " and name "HG1 "))
      4.000     2.200     1.000 peak  1250 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HA  "))
   (( segid "    " and resid "70  " and name "HG2 "))
      4.000     2.200     1.000 peak  1251 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "13  " and name "HB2 "))
   (( segid "    " and resid "16  " and name "HD22"))
      4.000     2.200     1.000 peak  1252 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak  1260 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "14  " and name "HA  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak  1261 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HA  "))
      3.000     1.200     0.500 peak  1262 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "15  " and name "HA  "))
   (( segid "    " and resid "17  " and name "HN  "))
      4.000     2.200     1.000 peak  1267 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HN  "))
      3.000     1.200     0.500 peak  1273 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HB1 "))
      4.000     2.200     1.000 peak  1274 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HA  "))
   (( segid "    " and resid "19  " and name "HB2 "))
      4.000     2.200     1.000 peak  1275 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "HB1 "))
   (( segid "    " and resid "17  " and name "HN  "))
      4.000     2.200     1.000 peak  1277 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
      4.000     2.200     1.000 peak  1279 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
      4.000     2.200     1.000 peak  1283 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak  1285 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HB1 "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak  1286 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
   (( segid "    " and resid "18  " and name "HN  "))
      3.000     1.200     0.500 peak  1288 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
   (( segid "    " and resid "19  " and name "HN  "))
      4.000     2.200     1.000 peak  1289 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak  1290 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      4.000     2.200     1.000 peak  1291 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HD1 ")
     OR 
    ( segid "    " and resid "17  " and name "HD2 "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.000     2.200     1.000 peak  1292 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HE1 ")
     OR 
    ( segid "    " and resid "17  " and name "HE2 "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      3.000     1.200     0.500 peak  1293 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HE1 ")
     OR 
    ( segid "    " and resid "17  " and name "HE2 "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      3.000     1.200     0.500 peak  1294 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HE1 ")
     OR 
    ( segid "    " and resid "17  " and name "HE2 "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      3.000     1.200     0.500 peak  1295 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HZ  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak  1296 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HZ  "))
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
      4.000     2.200     1.000 peak  1297 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "17  " and name "HZ  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.000     2.200     1.000 peak  1298 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
      3.000     1.200     0.500 peak  1299 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HB1 "))
      4.000     2.200     1.000 peak  1303 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HB2 "))
      4.000     2.200     1.000 peak  1304 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak  1305 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "18  " and name "HB1 ")
     OR 
    ( segid "    " and resid "18  " and name "HB3 ")
     OR 
    ( segid "    " and resid "18  " and name "HB2 "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak  1306 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HB1 ")
     OR 
    ( segid "    " and resid "22  " and name "HB3 ")
     OR 
    ( segid "    " and resid "22  " and name "HB2 "))
      3.000     1.200     0.500 peak  1309 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HB1 "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.000     1.200     0.500 peak  1310 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "19  " and name "HB2 "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.000     1.200     0.500 peak  1311 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      3.000     1.200     0.500 peak  1315 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HN  "))
      4.000     2.200     1.000 peak  1316 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HA  "))
   (( segid "    " and resid "23  " and name "HB1 ")
     OR 
    ( segid "    " and resid "23  " and name "HB3 ")
     OR 
    ( segid "    " and resid "23  " and name "HB2 "))
      4.000     2.200     1.000 peak  1317 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      4.000     2.200     1.000 peak  1319 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HN  "))
      3.000     1.200     0.500 peak  1322 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
      4.000     2.200     1.000 peak  1324 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HB1 "))
   (( segid "    " and resid "91  " and name "HN  "))
      3.000     1.200     0.500 peak  1326 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HB2 "))
   (( segid "    " and resid "91  " and name "HN  "))
      4.000     2.200     1.000 peak  1328 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak  1329 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "88  " and name "HD1 ")
     OR 
    ( segid "    " and resid "88  " and name "HD2 "))
      3.000     1.200     0.500 peak  1330 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "88  " and name "HE1 ")
     OR 
    ( segid "    " and resid "88  " and name "HE2 "))
      4.000     2.200     1.000 peak  1331 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "91  " and name "HN  "))
      4.000     2.200     1.000 peak  1332 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "92  " and name "HN  "))
      4.000     2.200     1.000 peak  1333 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
   (( segid "    " and resid "93  " and name "HG21")
     OR 
    ( segid "    " and resid "93  " and name "HG23")
     OR 
    ( segid "    " and resid "93  " and name "HG22"))
      4.000     2.200     1.000 peak  1335 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak  1336 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HB1 "))
      4.000     2.200     1.000 peak  1337 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HB2 "))
      4.000     2.200     1.000 peak  1338 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HD1 ")
     OR 
    ( segid "    " and resid "88  " and name "HD2 "))
      3.000     1.200     0.500 peak  1339 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HE1 ")
     OR 
    ( segid "    " and resid "88  " and name "HE2 "))
      4.000     2.200     1.000 peak  1340 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "93  " and name "HN  "))
      4.000     2.200     1.000 peak  1343 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "21  " and name "HD21")
     OR 
    ( segid "    " and resid "21  " and name "HD23")
     OR 
    ( segid "    " and resid "21  " and name "HD22"))
   (( segid "    " and resid "93  " and name "HG21")
     OR 
    ( segid "    " and resid "93  " and name "HG23")
     OR 
    ( segid "    " and resid "93  " and name "HG22"))
      4.000     2.200     1.000 peak  1344 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "91  " and name "HA2 "))
      4.000     2.200     1.000 peak  1346 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "24  " and name "HA  "))
   (( segid "    " and resid "25  " and name "HN  "))
      3.000     1.200     0.500 peak  1353 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "90  " and name "HA  "))
      4.000     2.200     1.000 peak  1356 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "90  " and name "HB1 "))
      4.000     2.200     1.000 peak  1357 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HA  "))
   (( segid "    " and resid "90  " and name "HB2 "))
      4.000     2.200     1.000 peak  1358 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HB1 "))
   (( segid "    " and resid "26  " and name "HN  "))
      3.000     1.200     0.500 peak  1359 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HB2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      3.000     1.200     0.500 peak  1360 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "25  " and name "HG2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      4.000     2.200     1.000 peak  1362 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HA  "))
   (( segid "    " and resid "27  " and name "HN  "))
      3.000     1.200     0.500 peak  1367 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.000     2.200     1.000 peak  1369 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
   (( segid "    " and resid "61  " and name "HN  "))
      4.000     2.200     1.000 peak  1371 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
   (( segid "    " and resid "89  " and name "HA  "))
      4.000     2.200     1.000 peak  1372 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HD1 ")
     OR 
    ( segid "    " and resid "26  " and name "HD2 "))
   (( segid "    " and resid "116 " and name "HG21")
     OR 
    ( segid "    " and resid "116 " and name "HG23")
     OR 
    ( segid "    " and resid "116 " and name "HG22"))
      4.000     2.200     1.000 peak  1374 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HE1 ")
     OR 
    ( segid "    " and resid "26  " and name "HE2 "))
   (( segid "    " and resid "89  " and name "HA  "))
      4.000     2.200     1.000 peak  1375 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "26  " and name "HE1 ")
     OR 
    ( segid "    " and resid "26  " and name "HE2 "))
   (( segid "    " and resid "116 " and name "HG21")
     OR 
    ( segid "    " and resid "116 " and name "HG23")
     OR 
    ( segid "    " and resid "116 " and name "HG22"))
      4.000     2.200     1.000 peak  1376 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HN  "))
      3.000     1.200     0.500 peak  1378 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HA  "))
   (( segid "    " and resid "28  " and name "HN  "))
      2.000     0.200     0.500 peak  1379 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HB1 "))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak  1382 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
      4.000     2.200     1.000 peak  1384 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak  1388 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      4.000     2.200     1.000 peak  1389 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1391 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "29  " and name "HN  "))
      2.000     0.200     0.500 peak  1392 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HA  "))
   (( segid "    " and resid "87  " and name "HA  "))
      3.000     1.200     0.500 peak  1393 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HB1 "))
   (( segid "    " and resid "29  " and name "HN  "))
      4.000     2.200     1.000 peak  1396 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HB2 "))
   (( segid "    " and resid "29  " and name "HN  "))
      4.000     2.200     1.000 peak  1397 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HG  "))
   (( segid "    " and resid "29  " and name "HN  "))
      4.000     2.200     1.000 peak  1398 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HG  "))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1399 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1401 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
   (( segid "    " and resid "87  " and name "HA  "))
      4.000     2.200     1.000 peak  1402 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1404 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD11")
     OR 
    ( segid "    " and resid "28  " and name "HD13")
     OR 
    ( segid "    " and resid "28  " and name "HD12"))
   (( segid "    " and resid "111 " and name "HZ3 "))
      4.000     2.200     1.000 peak  1405 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD21")
     OR 
    ( segid "    " and resid "28  " and name "HD23")
     OR 
    ( segid "    " and resid "28  " and name "HD22"))
   (( segid "    " and resid "29  " and name "HN  "))
      4.000     2.200     1.000 peak  1406 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HD21")
     OR 
    ( segid "    " and resid "28  " and name "HD23")
     OR 
    ( segid "    " and resid "28  " and name "HD22"))
   (( segid "    " and resid "63  " and name "HN  "))
      3.000     1.200     0.500 peak  1407 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
      3.000     1.200     0.500 peak  1408 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
      4.000     2.200     1.000 peak  1409 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HN  "))
      3.000     1.200     0.500 peak  1410 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HN  "))
      3.000     1.200     0.500 peak  1413 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      4.000     2.200     1.000 peak  1414 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HB  "))
   (( segid "    " and resid "30  " and name "HN  "))
      4.000     2.200     1.000 peak  1415 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "30  " and name "HN  "))
      4.000     2.200     1.000 peak  1416 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1417 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
   (( segid "    " and resid "30  " and name "HN  "))
      3.000     1.200     0.500 peak  1418 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1419 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      4.000     2.200     1.000 peak  1420 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HG21")
     OR 
    ( segid "    " and resid "29  " and name "HG23")
     OR 
    ( segid "    " and resid "29  " and name "HG22"))
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
      3.000     1.200     0.500 peak  1421 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
      4.000     2.200     1.000 peak  1422 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "64  " and name "HA  "))
      2.000     0.200     0.500 peak  1424 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "85  " and name "HA  "))
      3.000     1.200     0.500 peak  1427 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HA  "))
   (( segid "    " and resid "86  " and name "HN  "))
      3.000     1.200     0.500 peak  1428 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HB1 "))
   (( segid "    " and resid "31  " and name "HN  "))
      4.000     2.200     1.000 peak  1429 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HB2 "))
   (( segid "    " and resid "31  " and name "HN  "))
      4.000     2.200     1.000 peak  1430 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HG1 "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.000     1.200     0.500 peak  1431 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HG2 "))
   (( segid "    " and resid "31  " and name "HN  "))
      3.000     1.200     0.500 peak  1432 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HA  "))
      3.000     1.200     0.500 peak  1435 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "32  " and name "HN  "))
      2.000     0.200     0.500 peak  1437 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HN  "))
      4.000     2.200     1.000 peak  1438 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HB  "))
      4.000     2.200     1.000 peak  1439 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
      4.000     2.200     1.000 peak  1440 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
      4.000     2.200     1.000 peak  1441 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HB1 "))
   (( segid "    " and resid "84  " and name "HB  "))
      4.000     2.200     1.000 peak  1442 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HB2 "))
   (( segid "    " and resid "84  " and name "HB  "))
      4.000     2.200     1.000 peak  1443 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HD1 ")
     OR 
    ( segid "    " and resid "31  " and name "HD2 "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      4.000     2.200     1.000 peak  1444 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HD1 ")
     OR 
    ( segid "    " and resid "31  " and name "HD2 "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak  1445 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HD1 ")
     OR 
    ( segid "    " and resid "31  " and name "HD2 "))
   (( segid "    " and resid "84  " and name "HN  "))
      4.000     2.200     1.000 peak  1446 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HB1 "))
      4.000     2.200     1.000 peak  1451 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HN  "))
      3.000     1.200     0.500 peak  1452 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
      3.000     1.200     0.500 peak  1454 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "82  " and name "HD1 ")
     OR 
    ( segid "    " and resid "82  " and name "HD2 "))
      4.000     2.200     1.000 peak  1456 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HA  "))
   (( segid "    " and resid "83  " and name "HA  "))
      4.000     2.200     1.000 peak  1457 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HB1 "))
   (( segid "    " and resid "33  " and name "HN  "))
      4.000     2.200     1.000 peak  1459 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HB2 "))
   (( segid "    " and resid "33  " and name "HN  "))
      3.000     1.200     0.500 peak  1460 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "36  " and name "HN  "))
      3.000     1.200     0.500 peak  1463 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB1 "))
      3.000     1.200     0.500 peak  1465 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HD1 ")
     OR 
    ( segid "    " and resid "82  " and name "HD2 "))
      3.000     1.200     0.500 peak  1467 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HD1 "))
      2.000     0.200     0.500 peak  1469 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HD2 "))
      2.000     0.200     0.500 peak  1470 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      3.000     1.200     0.500 peak  1472 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HD1 "))
      4.000     2.200     1.000 peak  1473 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "34  " and name "HD2 "))
      4.000     2.200     1.000 peak  1474 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HE1 "))
      4.000     2.200     1.000 peak  1475 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HZ2 "))
      4.000     2.200     1.000 peak  1476 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "35  " and name "HH2 "))
      4.000     2.200     1.000 peak  1477 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HN  "))
      2.000     0.200     0.500 peak  1478 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HB1 "))
      4.000     2.200     1.000 peak  1479 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "36  " and name "HB2 "))
      4.000     2.200     1.000 peak  1480 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      3.000     1.200     0.500 peak  1481 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "82  " and name "HD1 ")
     OR 
    ( segid "    " and resid "82  " and name "HD2 "))
      4.000     2.200     1.000 peak  1482 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "33  " and name "HB1 ")
     OR 
    ( segid "    " and resid "33  " and name "HB3 ")
     OR 
    ( segid "    " and resid "33  " and name "HB2 "))
   (( segid "    " and resid "82  " and name "HE1 ")
     OR 
    ( segid "    " and resid "82  " and name "HE2 "))
      4.000     2.200     1.000 peak  1483 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "34  " and name "HD1 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak  1484 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "34  " and name "HD2 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak  1485 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "35  " and name "HE1 "))
   (( segid "    " and resid "68  " and name "HA  "))
      4.000     2.200     1.000 peak  1486 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "35  " and name "HE1 "))
   (( segid "    " and resid "68  " and name "HG21")
     OR 
    ( segid "    " and resid "68  " and name "HG23")
     OR 
    ( segid "    " and resid "68  " and name "HG22"))
      4.000     2.200     1.000 peak  1487 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "39  " and name "HN  "))
      3.000     1.200     0.500 peak  1488 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HN  "))
      3.000     1.200     0.500 peak  1489 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "38  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HB1 ")
     OR 
    ( segid "    " and resid "41  " and name "HB3 ")
     OR 
    ( segid "    " and resid "41  " and name "HB2 "))
      3.000     1.200     0.500 peak  1490 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "40  " and name "HN  "))
      3.000     1.200     0.500 peak  1493 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "41  " and name "HN  "))
      3.000     1.200     0.500 peak  1496 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "40  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
      4.000     2.200     1.000 peak  1498 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "41  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
      3.000     1.200     0.500 peak  1499 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "42  " and name "HN  "))
      4.000     2.200     1.000 peak  1500 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "42  " and name "HD11")
     OR 
    ( segid "    " and resid "42  " and name "HD13")
     OR 
    ( segid "    " and resid "42  " and name "HD12"))
   (( segid "    " and resid "104 " and name "HN  "))
      4.000     2.200     1.000 peak  1504 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HN  "))
      4.000     2.200     1.000 peak  1507 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HB1 "))
      4.000     2.200     1.000 peak  1508 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HA  "))
   (( segid "    " and resid "46  " and name "HB2 "))
      4.000     2.200     1.000 peak  1509 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HD1 "))
      3.000     1.200     0.500 peak  1510 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "43  " and name "HB1 ")
     OR 
    ( segid "    " and resid "43  " and name "HB3 ")
     OR 
    ( segid "    " and resid "43  " and name "HB2 "))
   (( segid "    " and resid "44  " and name "HD2 "))
      3.000     1.200     0.500 peak  1511 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "44  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HN  "))
      3.000     1.200     0.500 peak  1513 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "44  " and name "HA  "))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      3.000     1.200     0.500 peak  1514 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "44  " and name "HB2 "))
   (( segid "    " and resid "45  " and name "HN  "))
      4.000     2.200     1.000 peak  1515 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "44  " and name "HD1 "))
   (( segid "    " and resid "45  " and name "HN  "))
      3.000     1.200     0.500 peak  1516 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "44  " and name "HD2 "))
   (( segid "    " and resid "45  " and name "HN  "))
      4.000     2.200     1.000 peak  1517 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
      4.000     2.200     1.000 peak  1520 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "105 " and name "HN  "))
      4.000     2.200     1.000 peak  1521 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.000     1.200     0.500 peak  1522 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "104 " and name "HA  "))
      4.000     2.200     1.000 peak  1523 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HG1 "))
   (( segid "    " and resid "105 " and name "HN  "))
      4.000     2.200     1.000 peak  1524 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "104 " and name "HA  "))
      4.000     2.200     1.000 peak  1525 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "45  " and name "HG2 "))
   (( segid "    " and resid "105 " and name "HN  "))
      4.000     2.200     1.000 peak  1526 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1528 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      3.000     1.200     0.500 peak  1529 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HA  "))
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
      4.000     2.200     1.000 peak  1531 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak  1532 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HD1 ")
     OR 
    ( segid "    " and resid "46  " and name "HD2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      3.000     1.200     0.500 peak  1534 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak  1535 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1537 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "48  " and name "HN  "))
      3.000     1.200     0.500 peak  1539 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "47  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HB1 ")
     OR 
    ( segid "    " and resid "50  " and name "HB3 ")
     OR 
    ( segid "    " and resid "50  " and name "HB2 "))
      4.000     2.200     1.000 peak  1540 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HN  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.000     1.200     0.500 peak  1541 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "50  " and name "HN  "))
      3.000     1.200     0.500 peak  1542 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      4.000     2.200     1.000 peak  1545 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      3.000     1.200     0.500 peak  1546 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak  1547 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "105 " and name "HA  "))
      4.000     2.200     1.000 peak  1548 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "108 " and name "HG21")
     OR 
    ( segid "    " and resid "108 " and name "HG23")
     OR 
    ( segid "    " and resid "108 " and name "HG22"))
      4.000     2.200     1.000 peak  1549 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1550 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "49  " and name "HB1 ")
     OR 
    ( segid "    " and resid "49  " and name "HB3 ")
     OR 
    ( segid "    " and resid "49  " and name "HB2 "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      4.000     2.200     1.000 peak  1551 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HB2 "))
      4.000     2.200     1.000 peak  1553 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "53  " and name "HD21")
     OR 
    ( segid "    " and resid "53  " and name "HD23")
     OR 
    ( segid "    " and resid "53  " and name "HD22"))
      4.000     2.200     1.000 peak  1554 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HD11")
     OR 
    ( segid "    " and resid "62  " and name "HD13")
     OR 
    ( segid "    " and resid "62  " and name "HD12"))
      4.000     2.200     1.000 peak  1555 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "50  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
      4.000     2.200     1.000 peak  1556 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HN  "))
      2.000     0.200     0.500 peak  1557 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "51  " and name "HA2 "))
   (( segid "    " and resid "54  " and name "HN  "))
      3.000     1.200     0.500 peak  1561 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HN  "))
      3.000     1.200     0.500 peak  1563 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "54  " and name "HN  "))
      3.000     1.200     0.500 peak  1564 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HN  "))
      3.000     1.200     0.500 peak  1565 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "55  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HN  "))
      3.000     1.200     0.500 peak  1570 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "58  " and name "HA  "))
   (( segid "    " and resid "59  " and name "HN  "))
      2.000     0.200     0.500 peak  1576 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HN  "))
      4.000     2.200     1.000 peak  1580 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HA  "))
   (( segid "    " and resid "61  " and name "HN  "))
      2.000     0.200     0.500 peak  1581 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "60  " and name "HG21")
     OR 
    ( segid "    " and resid "60  " and name "HG23")
     OR 
    ( segid "    " and resid "60  " and name "HG22"))
   (( segid "    " and resid "61  " and name "HN  "))
      4.000     2.200     1.000 peak  1582 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "61  " and name "HA  "))
   (( segid "    " and resid "62  " and name "HN  "))
      2.000     0.200     0.500 peak  1583 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "62  " and name "HA  "))
   (( segid "    " and resid "63  " and name "HN  "))
      2.000     0.200     0.500 peak  1584 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "62  " and name "HD21")
     OR 
    ( segid "    " and resid "62  " and name "HD23")
     OR 
    ( segid "    " and resid "62  " and name "HD22"))
   (( segid "    " and resid "108 " and name "HG21")
     OR 
    ( segid "    " and resid "108 " and name "HG23")
     OR 
    ( segid "    " and resid "108 " and name "HG22"))
      4.000     2.200     1.000 peak  1586 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "64  " and name "HA  "))
   (( segid "    " and resid "65  " and name "HN  "))
      2.000     0.200     0.500 peak  1588 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HA  "))
   (( segid "    " and resid "66  " and name "HN  "))
      2.000     0.200     0.500 peak  1589 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
   (( segid "    " and resid "66  " and name "HN  "))
      3.000     1.200     0.500 peak  1590 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
   (( segid "    " and resid "67  " and name "HN  "))
      3.000     1.200     0.500 peak  1591 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      4.000     2.200     1.000 peak  1592 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HG11")
     OR 
    ( segid "    " and resid "65  " and name "HG13")
     OR 
    ( segid "    " and resid "65  " and name "HG12"))
   (( segid "    " and resid "70  " and name "HN  "))
      3.000     1.200     0.500 peak  1594 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "65  " and name "HG21")
     OR 
    ( segid "    " and resid "65  " and name "HG23")
     OR 
    ( segid "    " and resid "65  " and name "HG22"))
   (( segid "    " and resid "66  " and name "HN  "))
      4.000     2.200     1.000 peak  1596 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
      4.000     2.200     1.000 peak  1598 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB2 "))
      4.000     2.200     1.000 peak  1599 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.000     0.200     0.500 peak  1600 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.000     1.200     0.500 peak  1601 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "69  " and name "HN  "))
      4.000     2.200     1.000 peak  1602 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HA  "))
   (( segid "    " and resid "70  " and name "HN  "))
      4.000     2.200     1.000 peak  1603 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HB1 "))
   (( segid "    " and resid "67  " and name "HN  "))
      4.000     2.200     1.000 peak  1604 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HB1 "))
   (( segid "    " and resid "70  " and name "HN  "))
      4.000     2.200     1.000 peak  1606 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "66  " and name "HB2 "))
   (( segid "    " and resid "67  " and name "HN  "))
      4.000     2.200     1.000 peak  1607 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HA  "))
   (( segid "    " and resid "68  " and name "HN  "))
      3.000     1.200     0.500 peak  1610 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
   (( segid "    " and resid "82  " and name "HE1 ")
     OR 
    ( segid "    " and resid "82  " and name "HE2 "))
      3.000     1.200     0.500 peak  1611 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HN  "))
      4.000     2.200     1.000 peak  1612 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HG1 "))
      4.000     2.200     1.000 peak  1613 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HG2 "))
      4.000     2.200     1.000 peak  1614 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HA  "))
   (( segid "    " and resid "72  " and name "HN  "))
      3.000     1.200     0.500 peak  1619 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HA  "))
   (( segid "    " and resid "74  " and name "HN  "))
      3.000     1.200     0.500 peak  1620 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "71  " and name "HA  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      3.000     1.200     0.500 peak  1621 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
      4.000     2.200     1.000 peak  1623 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "72  " and name "HA  "))
   (( segid "    " and resid "73  " and name "HN  "))
      3.000     1.200     0.500 peak  1624 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HA  "))
   (( segid "    " and resid "74  " and name "HN  "))
      3.000     1.200     0.500 peak  1629 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HA  "))
   (( segid "    " and resid "76  " and name "HN  "))
      3.000     1.200     0.500 peak  1630 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HA  "))
   (( segid "    " and resid "76  " and name "HB1 "))
      4.000     2.200     1.000 peak  1631 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HA  "))
   (( segid "    " and resid "76  " and name "HB2 "))
      4.000     2.200     1.000 peak  1632 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
   (( segid "    " and resid "77  " and name "HE1 ")
     OR 
    ( segid "    " and resid "77  " and name "HE2 "))
      4.000     2.200     1.000 peak  1634 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "74  " and name "HA  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.000     1.200     0.500 peak  1637 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "74  " and name "HA  "))
   (( segid "    " and resid "79  " and name "HB  "))
      4.000     2.200     1.000 peak  1638 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "74  " and name "HA  "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak  1639 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
      4.000     2.200     1.000 peak  1640 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak  1641 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "75  " and name "HA  "))
   (( segid "    " and resid "76  " and name "HN  "))
      4.000     2.200     1.000 peak  1643 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "76  " and name "HA  "))
   (( segid "    " and resid "77  " and name "HN  "))
      3.000     1.200     0.500 peak  1646 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "77  " and name "HA  "))
   (( segid "    " and resid "78  " and name "HN  "))
      3.000     1.200     0.500 peak  1648 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HN  "))
      4.000     2.200     1.000 peak  1651 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HA  "))
   (( segid "    " and resid "80  " and name "HN  "))
      2.000     0.200     0.500 peak  1652 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HA  "))
   (( segid "    " and resid "84  " and name "HG21")
     OR 
    ( segid "    " and resid "84  " and name "HG23")
     OR 
    ( segid "    " and resid "84  " and name "HG22"))
      4.000     2.200     1.000 peak  1653 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
   (( segid "    " and resid "84  " and name "HG21")
     OR 
    ( segid "    " and resid "84  " and name "HG23")
     OR 
    ( segid "    " and resid "84  " and name "HG22"))
      4.000     2.200     1.000 peak  1654 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
   (( segid "    " and resid "80  " and name "HN  "))
      3.000     1.200     0.500 peak  1655 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
   (( segid "    " and resid "82  " and name "HE1 ")
     OR 
    ( segid "    " and resid "82  " and name "HE2 "))
      3.000     1.200     0.500 peak  1657 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
   (( segid "    " and resid "84  " and name "HB  "))
      3.000     1.200     0.500 peak  1658 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
   (( segid "    " and resid "80  " and name "HN  "))
      4.000     2.200     1.000 peak  1659 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
   (( segid "    " and resid "81  " and name "HN  "))
      4.000     2.200     1.000 peak  1660 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
   (( segid "    " and resid "82  " and name "HE1 ")
     OR 
    ( segid "    " and resid "82  " and name "HE2 "))
      4.000     2.200     1.000 peak  1661 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
   (( segid "    " and resid "84  " and name "HG21")
     OR 
    ( segid "    " and resid "84  " and name "HG23")
     OR 
    ( segid "    " and resid "84  " and name "HG22"))
      3.000     1.200     0.500 peak  1663 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HA1 "))
   (( segid "    " and resid "82  " and name "HN  "))
      3.000     1.200     0.500 peak  1667 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "81  " and name "HA2 "))
   (( segid "    " and resid "82  " and name "HN  "))
      2.000     0.200     0.500 peak  1668 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HA  "))
   (( segid "    " and resid "83  " and name "HA  "))
      3.000     1.200     0.500 peak  1669 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HB1 "))
   (( segid "    " and resid "83  " and name "HA  "))
      4.000     2.200     1.000 peak  1670 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "82  " and name "HB2 "))
   (( segid "    " and resid "83  " and name "HA  "))
      4.000     2.200     1.000 peak  1671 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "83  " and name "HA  "))
   (( segid "    " and resid "84  " and name "HN  "))
      2.000     0.200     0.500 peak  1672 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "84  " and name "HA  "))
   (( segid "    " and resid "85  " and name "HN  "))
      2.000     0.200     0.500 peak  1673 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
   (( segid "    " and resid "99  " and name "HB1 "))
      4.000     2.200     1.000 peak  1676 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
   (( segid "    " and resid "99  " and name "HB2 "))
      4.000     2.200     1.000 peak  1677 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HA  "))
   (( segid "    " and resid "98  " and name "HA  "))
      3.000     1.200     0.500 peak  1679 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "86  " and name "HA  "))
   (( segid "    " and resid "99  " and name "HN  "))
      4.000     2.200     1.000 peak  1680 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "87  " and name "HD1 ")
     OR 
    ( segid "    " and resid "87  " and name "HD2 "))
   (( segid "    " and resid "111 " and name "HZ3 "))
      4.000     2.200     1.000 peak  1685 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "88  " and name "HA  "))
   (( segid "    " and resid "89  " and name "HN  "))
      2.000     0.200     0.500 peak  1686 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "89  " and name "HA  "))
   (( segid "    " and resid "90  " and name "HN  "))
      2.000     0.200     0.500 peak  1687 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "91  " and name "HA2 "))
   (( segid "    " and resid "92  " and name "HN  "))
      3.000     1.200     0.500 peak  1692 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "92  " and name "HA  "))
   (( segid "    " and resid "93  " and name "HN  "))
      4.000     2.200     1.000 peak  1694 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "94  " and name "HA  "))
   (( segid "    " and resid "95  " and name "HN  "))
      3.000     1.200     0.500 peak  1696 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HA  "))
   (( segid "    " and resid "96  " and name "HD1 "))
      3.000     1.200     0.500 peak  1697 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "95  " and name "HA  "))
   (( segid "    " and resid "96  " and name "HD2 "))
      3.000     1.200     0.500 peak  1698 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "96  " and name "HA  "))
   (( segid "    " and resid "97  " and name "HN  "))
      2.000     0.200     0.500 peak  1699 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "99  " and name "HN  "))
      4.000     2.200     1.000 peak  1701 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HA  "))
   (( segid "    " and resid "99  " and name "HN  "))
      2.000     0.200     0.500 peak  1702 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HG1 "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
      4.000     2.200     1.000 peak  1704 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "98  " and name "HG2 "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
      4.000     2.200     1.000 peak  1705 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HN  "))
   (( segid "    " and resid "100 " and name "HN  "))
      4.000     2.200     1.000 peak  1706 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HA  "))
   (( segid "    " and resid "111 " and name "HZ2 "))
      4.000     2.200     1.000 peak  1708 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HD1 ")
     OR 
    ( segid "    " and resid "99  " and name "HD2 "))
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
      4.000     2.200     1.000 peak  1709 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HD1 ")
     OR 
    ( segid "    " and resid "99  " and name "HD2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1710 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
      3.000     1.200     0.500 peak  1711 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      3.000     1.200     0.500 peak  1712 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
   (( segid "    " and resid "111 " and name "HN  "))
      3.000     1.200     0.500 peak  1713 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "99  " and name "HE1 ")
     OR 
    ( segid "    " and resid "99  " and name "HE2 "))
   (( segid "    " and resid "111 " and name "HB2 "))
      4.000     2.200     1.000 peak  1714 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
   (( segid "    " and resid "111 " and name "HB2 "))
      4.000     2.200     1.000 peak  1716 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "101 " and name "HB1 ")
     OR 
    ( segid "    " and resid "101 " and name "HB3 ")
     OR 
    ( segid "    " and resid "101 " and name "HB2 "))
   (( segid "    " and resid "111 " and name "HD1 "))
      4.000     2.200     1.000 peak  1717 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB1 "))
      3.000     1.200     0.500 peak  1721 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HB1 "))
      4.000     2.200     1.000 peak  1723 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HB2 "))
      3.000     1.200     0.500 peak  1724 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HN  "))
      4.000     2.200     1.000 peak  1727 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB1 "))
      3.000     1.200     0.500 peak  1728 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HB2 "))
      3.000     1.200     0.500 peak  1729 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HA  "))
   (( segid "    " and resid "105 " and name "HN  "))
      2.000     0.200     0.500 peak  1732 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "104 " and name "HA  "))
   (( segid "    " and resid "107 " and name "HN  "))
      4.000     2.200     1.000 peak  1734 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HA  "))
   (( segid "    " and resid "108 " and name "HB  "))
      4.000     2.200     1.000 peak  1737 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HA  "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1738 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
   (( segid "    " and resid "108 " and name "HD11")
     OR 
    ( segid "    " and resid "108 " and name "HD13")
     OR 
    ( segid "    " and resid "108 " and name "HD12"))
      4.000     2.200     1.000 peak  1739 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HA  "))
   (( segid "    " and resid "107 " and name "HN  "))
      3.000     1.200     0.500 peak  1741 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HA  "))
   (( segid "    " and resid "109 " and name "HB  "))
      3.000     1.200     0.500 peak  1743 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "106 " and name "HA  "))
   (( segid "    " and resid "109 " and name "HG11")
     OR 
    ( segid "    " and resid "109 " and name "HG13")
     OR 
    ( segid "    " and resid "109 " and name "HG12"))
      4.000     2.200     1.000 peak  1744 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "HA  "))
   (( segid "    " and resid "109 " and name "HN  "))
      4.000     2.200     1.000 peak  1750 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "109 " and name "HA  "))
   (( segid "    " and resid "113 " and name "HN  "))
      4.000     2.200     1.000 peak  1754 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "110 " and name "HA  "))
   (( segid "    " and resid "111 " and name "HN  "))
      3.000     1.200     0.500 peak  1756 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "111 " and name "HA  "))
   (( segid "    " and resid "112 " and name "HN  "))
      3.000     1.200     0.500 peak  1759 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "112 " and name "HA  "))
   (( segid "    " and resid "115 " and name "HN  "))
      4.000     2.200     1.000 peak  1762 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "115 " and name "HA  "))
   (( segid "    " and resid "116 " and name "HN  "))
      3.000     1.200     0.500 peak  1765 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "119 " and name "HB1 ")
     OR 
    ( segid "    " and resid "119 " and name "HB3 ")
     OR 
    ( segid "    " and resid "119 " and name "HB2 "))
   (( segid "    " and resid "120 " and name "HN  "))
      4.000     2.200     1.000 peak  1772 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "62  " and name "O   "))
      2.300     0.800     0.000 peak  1773 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "N   "))
   (( segid "    " and resid "62  " and name "O   "))
      3.300     0.900     0.000 peak  1774 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "O   "))
   (( segid "    " and resid "64  " and name "HN  "))
      2.300     0.800     0.000 peak  1775 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "10  " and name "O   "))
   (( segid "    " and resid "64  " and name "N   "))
      3.300     0.900     0.000 peak  1776 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "HN  "))
   (( segid "    " and resid "64  " and name "O   "))
      2.300     0.800     0.000 peak  1777 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "12  " and name "N   "))
   (( segid "    " and resid "64  " and name "O   "))
      3.300     0.900     0.000 peak  1778 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "HN  "))
   (( segid "    " and resid "88  " and name "O   "))
      2.300     0.800     0.000 peak  1779 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "N   "))
   (( segid "    " and resid "88  " and name "O   "))
      3.300     0.900     0.000 peak  1780 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "O   "))
   (( segid "    " and resid "88  " and name "HN  "))
      2.300     0.800     0.000 peak  1781 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "27  " and name "O   "))
   (( segid "    " and resid "88  " and name "N   "))
      3.300     0.900     0.000 peak  1782 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "61  " and name "O   "))
      2.300     0.800     0.000 peak  1783 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "N   "))
   (( segid "    " and resid "61  " and name "O   "))
      3.300     0.900     0.000 peak  1784 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "O   "))
   (( segid "    " and resid "63  " and name "HN  "))
      2.300     0.800     0.000 peak  1785 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "28  " and name "O   "))
   (( segid "    " and resid "63  " and name "N   "))
      3.300     0.900     0.000 peak  1786 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "HN  "))
   (( segid "    " and resid "86  " and name "O   "))
      2.300     0.800     0.000 peak  1787 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "N   "))
   (( segid "    " and resid "86  " and name "O   "))
      3.300     0.900     0.000 peak  1788 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "O   "))
   (( segid "    " and resid "86  " and name "HN  "))
      2.300     0.800     0.000 peak  1789 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "29  " and name "O   "))
   (( segid "    " and resid "86  " and name "N   "))
      3.300     0.900     0.000 peak  1790 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "63  " and name "O   "))
      2.300     0.800     0.000 peak  1791 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "N   "))
   (( segid "    " and resid "63  " and name "O   "))
      3.300     0.900     0.000 peak  1792 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "O   "))
   (( segid "    " and resid "65  " and name "HN  "))
      2.300     0.800     0.000 peak  1793 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "30  " and name "O   "))
   (( segid "    " and resid "65  " and name "N   "))
      3.300     0.900     0.000 peak  1794 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "84  " and name "O   "))
      2.300     0.800     0.000 peak  1795 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "31  " and name "N   "))
   (( segid "    " and resid "84  " and name "O   "))
      3.300     0.900     0.000 peak  1796 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "HN  "))
   (( segid "    " and resid "65  " and name "O   "))
      2.300     0.800     0.000 peak  1797 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "N   "))
   (( segid "    " and resid "65  " and name "O   "))
      3.300     0.900     0.000 peak  1798 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "O   "))
   (( segid "    " and resid "67  " and name "HN  "))
      2.300     0.800     0.000 peak  1799 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "32  " and name "O   "))
   (( segid "    " and resid "67  " and name "N   "))
      3.300     0.900     0.000 peak  1800 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "O   "))
   (( segid "    " and resid "20  " and name "HN  "))
      2.300     0.800     0.000 peak  1801 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "16  " and name "O   "))
   (( segid "    " and resid "20  " and name "N   "))
      3.300     0.900     0.000 peak  1802 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "O   "))
   (( segid "    " and resid "109 " and name "HN  "))
      2.300     0.800     0.000 peak  1803 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "105 " and name "O   "))
   (( segid "    " and resid "109 " and name "N   "))
      3.300     0.900     0.000 peak  1804 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "O   "))
   (( segid "    " and resid "112 " and name "HN  "))
      2.300     0.800     0.000 peak  1805 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "108 " and name "O   "))
   (( segid "    " and resid "112 " and name "N   "))
      3.300     0.900     0.000 peak  1806 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "CA  "))
   (( segid "    " and resid "39  " and name "SG  "))
      3.800     0.800     0.700 peak  1807 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "CB  "))
   (( segid "    " and resid "39  " and name "SG  "))
      3.000     0.000     0.000 peak  1808 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "SG  "))
   (( segid "    " and resid "39  " and name "SG  "))
      2.000     0.000     0.000 peak  1810 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "SG  "))
   (( segid "    " and resid "39  " and name "CB  "))
      3.000     0.000     0.000 peak  1811 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "36  " and name "SG  "))
   (( segid "    " and resid "39  " and name "CA  "))
      3.700     0.800     0.800 peak  1812 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 ASSI
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HG2 "))
      4.000     2.200     1.000 peak  1183 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "2   " and name "HA  "))
   (( segid "    " and resid "3   " and name "HG1 "))
 ASSI
   (( segid "    " and resid "5   " and name "HB1 "))
   (( segid "    " and resid "6   " and name "HN  "))
      3.000     1.200     0.500 peak  1199 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "5   " and name "HB2 "))
   (( segid "    " and resid "6   " and name "HN  "))
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG21")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG22"))
      3.000     1.200     0.500 peak  1201 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
 OR
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
 OR
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG11")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG12"))
 ASSI
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
   (( segid "    " and resid "10  " and name "HN  "))
      3.000     1.200     0.500 peak  1214 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
   (( segid "    " and resid "10  " and name "HN  "))
 ASSI
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
      4.000     2.200     1.000 peak  1215 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
   (( segid "    " and resid "47  " and name "HB1 ")
     OR 
    ( segid "    " and resid "47  " and name "HB3 ")
     OR 
    ( segid "    " and resid "47  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "9   " and name "HG21")
     OR 
    ( segid "    " and resid "9   " and name "HG23")
     OR 
    ( segid "    " and resid "9   " and name "HG22"))
   (( segid "    " and resid "50  " and name "HB1 ")
     OR 
    ( segid "    " and resid "50  " and name "HB3 ")
     OR 
    ( segid "    " and resid "50  " and name "HB2 "))
      4.000     2.200     1.000 peak  1216 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
   (( segid "    " and resid "50  " and name "HB1 ")
     OR 
    ( segid "    " and resid "50  " and name "HB3 ")
     OR 
    ( segid "    " and resid "50  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "10  " and name "HB1 "))
   (( segid "    " and resid "11  " and name "HN  "))
      4.000     2.200     1.000 peak  1223 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "10  " and name "HG  "))
   (( segid "    " and resid "11  " and name "HN  "))
 ASSI
   (( segid "    " and resid "11  " and name "HG11")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG12"))
   (( segid "    " and resid "12  " and name "HN  "))
      4.000     2.200     1.000 peak  1231 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "11  " and name "HG21")
     OR 
    ( segid "    " and resid "11  " and name "HG23")
     OR 
    ( segid "    " and resid "11  " and name "HG22"))
   (( segid "    " and resid "12  " and name "HN  "))
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
      4.000     2.200     1.000 peak  1244 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HD21"))
 ASSI
   (( segid "    " and resid "13  " and name "HG1 "))
   (( segid "    " and resid "16  " and name "HD22"))
      4.000     2.200     1.000 peak  1253 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "13  " and name "HG2 "))
   (( segid "    " and resid "16  " and name "HD22"))
 ASSI
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.000     1.200     0.500 peak  1281 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
 OR
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
      3.000     1.200     0.500 peak  1282 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "17  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
 OR
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "21  " and name "HN  "))
 ASSI
   (( segid "    " and resid "19  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HN  "))
      3.000     1.200     0.500 peak  1302 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "18  " and name "HA  "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "20  " and name "HN  "))
      3.000     1.200     0.500 peak  1312 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "19  " and name "HG1 "))
   (( segid "    " and resid "20  " and name "HN  "))
 ASSI
   (( segid "    " and resid "19  " and name "HG1 "))
   (( segid "    " and resid "22  " and name "HN  "))
      4.000     2.200     1.000 peak  1313 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "19  " and name "HG2 "))
   (( segid "    " and resid "22  " and name "HN  "))
 ASSI
   (( segid "    " and resid "23  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HN  "))
      4.000     2.200     1.000 peak  1347 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "22  " and name "HA  "))
   (( segid "    " and resid "24  " and name "HN  "))
 ASSI
   (( segid "    " and resid "25  " and name "HE2 "))
   (( segid "    " and resid "26  " and name "HN  "))
      4.000     2.200     1.000 peak  1363 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "25  " and name "HE1 "))
   (( segid "    " and resid "26  " and name "HN  "))
 ASSI
   (( segid "    " and resid "26  " and name "HB1 "))
   (( segid "    " and resid "27  " and name "HN  "))
      4.000     2.200     1.000 peak  1368 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HB2 "))
   (( segid "    " and resid "27  " and name "HN  "))
 ASSI
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "28  " and name "HN  "))
      4.000     2.200     1.000 peak  1383 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "28  " and name "HN  "))
 ASSI
   (( segid "    " and resid "27  " and name "HB2 "))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak  1385 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "27  " and name "HG  "))
   (( segid "    " and resid "88  " and name "HN  "))
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
      4.000     2.200     1.000 peak  1436 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HD11")
     OR 
    ( segid "    " and resid "85  " and name "HD13")
     OR 
    ( segid "    " and resid "85  " and name "HD12"))
 OR
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG12"))
 ASSI
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
      4.000     2.200     1.000 peak  1447 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HZ  "))
   (( segid "    " and resid "73  " and name "HD11")
     OR 
    ( segid "    " and resid "73  " and name "HD13")
     OR 
    ( segid "    " and resid "73  " and name "HD12"))
 ASSI
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
      4.000     2.200     1.000 peak  1448 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HZ  "))
   (( segid "    " and resid "73  " and name "HD21")
     OR 
    ( segid "    " and resid "73  " and name "HD23")
     OR 
    ( segid "    " and resid "73  " and name "HD22"))
 ASSI
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
   (( segid "    " and resid "74  " and name "HA  "))
      4.000     2.200     1.000 peak  1449 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HZ  "))
   (( segid "    " and resid "74  " and name "HA  "))
 ASSI
   (( segid "    " and resid "31  " and name "HE1 ")
     OR 
    ( segid "    " and resid "31  " and name "HE2 "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
      4.000     2.200     1.000 peak  1450 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HZ  "))
   (( segid "    " and resid "79  " and name "HG21")
     OR 
    ( segid "    " and resid "79  " and name "HG23")
     OR 
    ( segid "    " and resid "79  " and name "HG22"))
 ASSI
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HG1 "))
      4.000     2.200     1.000 peak  1468 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "33  " and name "HA  "))
   (( segid "    " and resid "34  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "41  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HN  "))
      4.000     2.200     1.000 peak  1494 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "39  " and name "HA  "))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HB2 "))
      3.000     1.200     0.500 peak  1544 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "49  " and name "HA  "))
   (( segid "    " and resid "52  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HB2 "))
      4.000     2.200     1.000 peak  1566 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      4.000     2.200     1.000 peak  1567 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "53  " and name "HA  "))
   (( segid "    " and resid "56  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB1 "))
      3.000     1.200     0.500 peak  1577 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "62  " and name "HB1 "))
   (( segid "    " and resid "63  " and name "HN  "))
      4.000     2.200     1.000 peak  1585 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "62  " and name "HG  "))
   (( segid "    " and resid "63  " and name "HN  "))
 ASSI
   (( segid "    " and resid "72  " and name "HA  "))
   (( segid "    " and resid "75  " and name "HB1 "))
      4.000     2.200     1.000 peak  1627 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "72  " and name "HA  "))
   (( segid "    " and resid "75  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "78  " and name "HA1 "))
   (( segid "    " and resid "79  " and name "HN  "))
      4.000     2.200     1.000 peak  1650 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "78  " and name "HA2 "))
   (( segid "    " and resid "79  " and name "HN  "))
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HD11")
     OR 
    ( segid "    " and resid "85  " and name "HD13")
     OR 
    ( segid "    " and resid "85  " and name "HD12"))
      3.000     1.200     0.500 peak  1674 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
 OR
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG12"))
 ASSI
   (( segid "    " and resid "98  " and name "HB1 "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
      4.000     2.200     1.000 peak  1703 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "98  " and name "HB2 "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
 ASSI
   (( segid "    " and resid "102 " and name "HA2 "))
   (( segid "    " and resid "103 " and name "HN  "))
      2.000     0.200     0.500 peak  1719 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "102 " and name "HA1 "))
   (( segid "    " and resid "103 " and name "HN  "))
 ASSI
   (( segid "    " and resid "102 " and name "HA2 "))
   (( segid "    " and resid "104 " and name "HN  "))
      4.000     2.200     1.000 peak  1720 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "102 " and name "HA1 "))
   (( segid "    " and resid "104 " and name "HN  "))
 ASSI
   (( segid "    " and resid "106 " and name "HA  "))
   (( segid "    " and resid "109 " and name "HN  "))
      3.000     1.200     0.500 peak  1742 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "107 " and name "HA  "))
   (( segid "    " and resid "109 " and name "HN  "))
 ASSI
   (( segid "    " and resid "106 " and name "HB1 "))
   (( segid "    " and resid "110 " and name "HD21"))
      4.000     2.200     1.000 peak  1745 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "106 " and name "HB2 "))
   (( segid "    " and resid "110 " and name "HD21"))
 ASSI
   (( segid "    " and resid "106 " and name "HB1 "))
   (( segid "    " and resid "110 " and name "HD22"))
      4.000     2.200     1.000 peak  1746 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "106 " and name "HB2 "))
   (( segid "    " and resid "110 " and name "HD22"))
 ASSI
   (( segid "    " and resid "111 " and name "HA  "))
   (( segid "    " and resid "114 " and name "HB2 "))
      4.000     2.200     1.000 peak  1760 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "111 " and name "HA  "))
   (( segid "    " and resid "114 " and name "HB1 "))
 ASSI
   (( segid "    " and resid "117 " and name "HA1 "))
   (( segid "    " and resid "118 " and name "HD1 "))
      2.000     0.200     0.500 peak  1767 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HA1 "))
   (( segid "    " and resid "118 " and name "HD2 "))
 ASSI
   (( segid "    " and resid "117 " and name "HA2 "))
   (( segid "    " and resid "118 " and name "HD2 "))
      2.000     0.200     0.500 peak  1768 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HA2 "))
   (( segid "    " and resid "118 " and name "HD1 "))
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HG1 "))
      3.000     1.200     0.500 peak    22 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB1 "))
 ASSI
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "5   " and name "HG2 "))
      3.000     1.200     0.500 peak    23 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "5   " and name "HN  "))
   (( segid "    " and resid "4   " and name "HB2 "))
 ASSI
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HG2 "))
      3.000     1.200     0.500 peak    31 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "6   " and name "HN  "))
   (( segid "    " and resid "6   " and name "HG1 "))
 ASSI
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      3.000     1.200     0.500 peak    51 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "10  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HB2 "))
      3.000     1.200     0.500 peak    58 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "11  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG  "))
      3.000     1.200     0.500 peak    74 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HG2 "))
 OR
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      4.000     2.200     1.000 peak    76 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "13  " and name "HN  "))
   (( segid "    " and resid "20  " and name "HB1 ")
     OR 
    ( segid "    " and resid "20  " and name "HB3 ")
     OR 
    ( segid "    " and resid "20  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      4.000     2.200     1.000 peak    89 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HD2 "))
 ASSI
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HB2 "))
      3.000     1.200     0.500 peak    90 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "14  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
      3.000     1.200     0.500 peak   117 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "16  " and name "HN  "))
   (( segid "    " and resid "15  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB1 ")
     OR 
    ( segid "    " and resid "18  " and name "HB3 ")
     OR 
    ( segid "    " and resid "18  " and name "HB2 "))
      4.000     2.200     1.000 peak   136 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG  "))
 OR
   (( segid "    " and resid "17  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
      3.000     1.200     0.500 peak   148 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "18  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "16  " and name "HN  "))
      4.000     2.200     1.000 peak   159 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HN  "))
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
      3.000     1.200     0.500 peak   161 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
 ASSI
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HG  "))
      4.000     2.200     1.000 peak   167 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "19  " and name "HN  "))
   (( segid "    " and resid "23  " and name "HB1 ")
     OR 
    ( segid "    " and resid "23  " and name "HB3 ")
     OR 
    ( segid "    " and resid "23  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      3.000     1.200     0.500 peak   175 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HG  "))
      4.000     2.200     1.000 peak   180 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HB1 ")
     OR 
    ( segid "    " and resid "18  " and name "HB3 ")
     OR 
    ( segid "    " and resid "18  " and name "HB2 "))
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HG  "))
      4.000     2.200     1.000 peak   182 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
      4.000     2.200     1.000 peak   185 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD21")
     OR 
    ( segid "    " and resid "10  " and name "HD23")
     OR 
    ( segid "    " and resid "10  " and name "HD22"))
 ASSI
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   187 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "20  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HA  "))
      3.000     1.200     0.500 peak   193 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "17  " and name "HA  "))
 OR
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "18  " and name "HA  "))
 ASSI
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
      3.000     1.200     0.500 peak   197 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "21  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HG  "))
 ASSI
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   211 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "22  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG1 "))
      4.000     2.200     1.000 peak   216 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "19  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   219 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "23  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB2 "))
      4.000     2.200     1.000 peak   228 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "22  " and name "HB1 ")
     OR 
    ( segid "    " and resid "22  " and name "HB3 ")
     OR 
    ( segid "    " and resid "22  " and name "HB2 "))
 OR
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB2 "))
      4.000     2.200     1.000 peak   229 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "24  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HG  "))
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "24  " and name "HD2 "))
      4.000     2.200     1.000 peak   234 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HN  "))
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG1 "))
      4.000     2.200     1.000 peak   245 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      4.000     2.200     1.000 peak   246 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB  "))
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HD11")
     OR 
    ( segid "    " and resid "60  " and name "HD13")
     OR 
    ( segid "    " and resid "60  " and name "HD12"))
      4.000     2.200     1.000 peak   251 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "116 " and name "HG21")
     OR 
    ( segid "    " and resid "116 " and name "HG23")
     OR 
    ( segid "    " and resid "116 " and name "HG22"))
      4.000     2.200     1.000 peak   252 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "26  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD11")
     OR 
    ( segid "    " and resid "27  " and name "HD13")
     OR 
    ( segid "    " and resid "27  " and name "HD12"))
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
      3.000     1.200     0.500 peak   261 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HA  "))
      4.000     2.200     1.000 peak   263 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HA  "))
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HG  "))
      4.000     2.200     1.000 peak   266 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "62  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD11")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD12"))
      4.000     2.200     1.000 peak   269 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG1 "))
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "112 " and name "HD11")
     OR 
    ( segid "    " and resid "112 " and name "HD13")
     OR 
    ( segid "    " and resid "112 " and name "HD12"))
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "112 " and name "HD21")
     OR 
    ( segid "    " and resid "112 " and name "HD23")
     OR 
    ( segid "    " and resid "112 " and name "HD22"))
      4.000     2.200     1.000 peak   270 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "28  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HG21")
     OR 
    ( segid "    " and resid "85  " and name "HG23")
     OR 
    ( segid "    " and resid "85  " and name "HG22"))
 ASSI
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "63  " and name "HB1 ")
     OR 
    ( segid "    " and resid "63  " and name "HB3 ")
     OR 
    ( segid "    " and resid "63  " and name "HB2 "))
      3.000     1.200     0.500 peak   300 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "30  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HB1 "))
      4.000     2.200     1.000 peak   311 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "31  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HB  "))
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HN  "))
      4.000     2.200     1.000 peak   331 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "84  " and name "HN  "))
 OR
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HN  "))
 ASSI
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB2 "))
      3.000     1.200     0.500 peak   340 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB1 "))
 OR
   (( segid "    " and resid "33  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "37  " and name "HA2 "))
      4.000     2.200     1.000 peak   357 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "83  " and name "HD1 "))
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HB1 "))
      3.000     1.200     0.500 peak   358 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "38  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
      4.000     2.200     1.000 peak   360 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB1 ")
     OR 
    ( segid "    " and resid "41  " and name "HB3 ")
     OR 
    ( segid "    " and resid "41  " and name "HB2 "))
      4.000     2.200     1.000 peak   362 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "39  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HN  "))
      4.000     2.200     1.000 peak   365 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "43  " and name "HN  "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HA  "))
      3.000     1.200     0.500 peak   366 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HA  "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB2 "))
      3.000     1.200     0.500 peak   368 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "39  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB1 "))
      3.000     1.200     0.500 peak   369 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HD2 "))
      3.000     1.200     0.500 peak   370 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HD1 "))
 ASSI
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG2 "))
      3.000     1.200     0.500 peak   372 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "40  " and name "HN  "))
   (( segid "    " and resid "41  " and name "HB1 ")
     OR 
    ( segid "    " and resid "41  " and name "HB3 ")
     OR 
    ( segid "    " and resid "41  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG1 "))
      4.000     2.200     1.000 peak   383 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB2 "))
      4.000     2.200     1.000 peak   384 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HB2 "))
      4.000     2.200     1.000 peak   386 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "43  " and name "HN  "))
   (( segid "    " and resid "40  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG2 "))
      3.000     1.200     0.500 peak   403 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD2 "))
      4.000     2.200     1.000 peak   405 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD1 "))
 OR
   (( segid "    " and resid "45  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB1 "))
      4.000     2.200     1.000 peak   420 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB2 "))
      3.000     1.200     0.500 peak   421 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "46  " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB1 "))
      4.000     2.200     1.000 peak   437 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG  "))
      4.000     2.200     1.000 peak   439 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "47  " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "47  " and name "HA  "))
      3.000     1.200     0.500 peak   444 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HA  "))
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "49  " and name "HA  "))
      4.000     2.200     1.000 peak   445 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "44  " and name "HD2 "))
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HE1 "))
      4.000     2.200     1.000 peak   446 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HE2 "))
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD2 "))
      3.000     1.200     0.500 peak   449 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HD1 "))
 ASSI
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG1 "))
      4.000     2.200     1.000 peak   453 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "48  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HE1 "))
      4.000     2.200     1.000 peak   476 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "48  " and name "HE1 "))
 OR
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "52  " and name "HE2 "))
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HB2 "))
      4.000     2.200     1.000 peak   479 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HG  "))
 ASSI
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      4.000     2.200     1.000 peak   483 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "52  " and name "HN  "))
   (( segid "    " and resid "109 " and name "HG21")
     OR 
    ( segid "    " and resid "109 " and name "HG23")
     OR 
    ( segid "    " and resid "109 " and name "HG22"))
 ASSI
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
      3.000     1.200     0.500 peak   486 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "54  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA1 "))
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
      3.000     1.200     0.500 peak   497 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "51  " and name "HA1 "))
      4.000     2.200     1.000 peak   498 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
 ASSI
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG2 "))
      4.000     2.200     1.000 peak   500 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "55  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA1 "))
      3.000     1.200     0.500 peak   510 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "55  " and name "HA  "))
 OR
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
 ASSI
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      3.000     1.200     0.500 peak   512 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "56  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "57  " and name "HA1 "))
      3.000     1.200     0.500 peak   519 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "54  " and name "HA  "))
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HA  "))
      4.000     2.200     1.000 peak   520 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "58  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG1 "))
      4.000     2.200     1.000 peak   522 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "57  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG2 "))
      4.000     2.200     1.000 peak   534 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "58  " and name "HN  "))
   (( segid "    " and resid "56  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG2 "))
      3.000     1.200     0.500 peak   546 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HB1 "))
      4.000     2.200     1.000 peak   548 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HB  "))
 ASSI
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      4.000     2.200     1.000 peak   549 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "59  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HG21")
     OR 
    ( segid "    " and resid "60  " and name "HG23")
     OR 
    ( segid "    " and resid "60  " and name "HG22"))
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG2 "))
      3.000     1.200     0.500 peak   556 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "59  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "53  " and name "HD11")
     OR 
    ( segid "    " and resid "53  " and name "HD13")
     OR 
    ( segid "    " and resid "53  " and name "HD12"))
      3.000     1.200     0.500 peak   558 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "60  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HG21")
     OR 
    ( segid "    " and resid "60  " and name "HG23")
     OR 
    ( segid "    " and resid "60  " and name "HG22"))
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB1 "))
      3.000     1.200     0.500 peak   569 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "112 " and name "HD11")
     OR 
    ( segid "    " and resid "112 " and name "HD13")
     OR 
    ( segid "    " and resid "112 " and name "HD12"))
      3.000     1.200     0.500 peak   570 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "60  " and name "HD11")
     OR 
    ( segid "    " and resid "60  " and name "HD13")
     OR 
    ( segid "    " and resid "60  " and name "HD12"))
 OR
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG2 "))
 OR
   (( segid "    " and resid "61  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD11")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD12"))
      3.000     1.200     0.500 peak   581 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG1 "))
 OR
   (( segid "    " and resid "62  " and name "HN  "))
   (( segid "    " and resid "61  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HA  "))
      4.000     2.200     1.000 peak   588 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HA  "))
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HG  "))
      4.000     2.200     1.000 peak   592 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "28  " and name "HG  "))
 ASSI
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "10  " and name "HD11")
     OR 
    ( segid "    " and resid "10  " and name "HD13")
     OR 
    ( segid "    " and resid "10  " and name "HD12"))
      4.000     2.200     1.000 peak   596 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "63  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HG11")
     OR 
    ( segid "    " and resid "29  " and name "HG13")
     OR 
    ( segid "    " and resid "29  " and name "HG12"))
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "12  " and name "HN  "))
      4.000     2.200     1.000 peak   600 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HN  "))
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "32  " and name "HE1 ")
     OR 
    ( segid "    " and resid "32  " and name "HE2 "))
      4.000     2.200     1.000 peak   601 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "46  " and name "HE1 ")
     OR 
    ( segid "    " and resid "46  " and name "HE2 "))
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "65  " and name "HA  "))
      4.000     2.200     1.000 peak   604 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "29  " and name "HA  "))
 ASSI
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
      3.000     1.200     0.500 peak   609 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "64  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG11")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG12"))
 ASSI
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "11  " and name "HG11")
     OR 
    ( segid "    " and resid "11  " and name "HG13")
     OR 
    ( segid "    " and resid "11  " and name "HG12"))
      4.000     2.200     1.000 peak   622 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "65  " and name "HN  "))
   (( segid "    " and resid "9   " and name "HG11")
     OR 
    ( segid "    " and resid "9   " and name "HG13")
     OR 
    ( segid "    " and resid "9   " and name "HG12"))
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "33  " and name "HA  "))
      3.000     1.200     0.500 peak   644 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "68  " and name "HA  "))
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HD2 "))
      3.000     1.200     0.500 peak   648 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
 ASSI
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB1 "))
      4.000     2.200     1.000 peak   649 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "68  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "66  " and name "HA  "))
      4.000     2.200     1.000 peak   662 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "69  " and name "HN  "))
   (( segid "    " and resid "34  " and name "HD2 "))
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB1 "))
      3.000     1.200     0.500 peak   680 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "67  " and name "HB1 ")
     OR 
    ( segid "    " and resid "67  " and name "HB3 ")
     OR 
    ( segid "    " and resid "67  " and name "HB2 "))
      4.000     2.200     1.000 peak   684 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HG2 "))
 OR
   (( segid "    " and resid "70  " and name "HN  "))
   (( segid "    " and resid "13  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "72  " and name "HA  "))
      4.000     2.200     1.000 peak   692 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "69  " and name "HA  "))
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HB2 "))
      3.000     1.200     0.500 peak   694 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB2 "))
      4.000     2.200     1.000 peak   695 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "71  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HB1 "))
      3.000     1.200     0.500 peak   704 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "71  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB2 "))
      4.000     2.200     1.000 peak   707 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HB1 "))
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
      4.000     2.200     1.000 peak   708 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HD2 "))
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HG2 "))
      4.000     2.200     1.000 peak   709 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "72  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB1 "))
      4.000     2.200     1.000 peak   722 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB1 "))
 OR
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HB1 "))
      3.000     1.200     0.500 peak   723 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "70  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "14  " and name "HG2 "))
      3.000     1.200     0.500 peak   724 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "73  " and name "HN  "))
   (( segid "    " and resid "74  " and name "HB1 ")
     OR 
    ( segid "    " and resid "74  " and name "HB3 ")
     OR 
    ( segid "    " and resid "74  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB1 "))
      3.000     1.200     0.500 peak   737 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "73  " and name "HB1 "))
      4.000     2.200     1.000 peak   738 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "75  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB1 "))
      3.000     1.200     0.500 peak   749 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "76  " and name "HN  "))
   (( segid "    " and resid "75  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HA  "))
      3.000     1.200     0.500 peak   762 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "77  " and name "HN  "))
   (( segid "    " and resid "78  " and name "HA1 "))
 ASSI
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HG1 "))
      4.000     2.200     1.000 peak   782 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "78  " and name "HN  "))
   (( segid "    " and resid "76  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HD2 "))
      4.000     2.200     1.000 peak   789 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HD1 "))
 ASSI
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HG2 "))
      3.000     1.200     0.500 peak   792 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "80  " and name "HN  "))
   (( segid "    " and resid "80  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "81  " and name "HN  "))
      4.000     2.200     1.000 peak   813 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HD1 ")
     OR 
    ( segid "    " and resid "31  " and name "HD2 "))
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HA  "))
      4.000     2.200     1.000 peak   815 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HA  "))
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "31  " and name "HB2 "))
      3.000     1.200     0.500 peak   823 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "82  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG1 "))
      3.000     1.200     0.500 peak   825 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "83  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "85  " and name "HD11")
     OR 
    ( segid "    " and resid "85  " and name "HD13")
     OR 
    ( segid "    " and resid "85  " and name "HD12"))
      3.000     1.200     0.500 peak   826 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "84  " and name "HN  "))
   (( segid "    " and resid "79  " and name "HG11")
     OR 
    ( segid "    " and resid "79  " and name "HG13")
     OR 
    ( segid "    " and resid "79  " and name "HG12"))
 ASSI
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "30  " and name "HG1 "))
      4.000     2.200     1.000 peak   834 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "85  " and name "HN  "))
   (( segid "    " and resid "83  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HN  "))
      4.000     2.200     1.000 peak   846 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HN  "))
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HB1 "))
      4.000     2.200     1.000 peak   856 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "98  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HD1 "))
      4.000     2.200     1.000 peak   858 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HD2 "))
 ASSI
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HB2 "))
      3.000     1.200     0.500 peak   860 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "87  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB1 "))
      4.000     2.200     1.000 peak   873 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   877 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "88  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "88  " and name "HE1 ")
     OR 
    ( segid "    " and resid "88  " and name "HE2 "))
      4.000     2.200     1.000 peak   882 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "87  " and name "HE1 ")
     OR 
    ( segid "    " and resid "87  " and name "HE2 "))
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HD2 "))
      4.000     2.200     1.000 peak   886 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HD1 "))
 ASSI
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HG1 "))
      4.000     2.200     1.000 peak   891 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "89  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HN  "))
      4.000     2.200     1.000 peak   894 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "26  " and name "HN  "))
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB1 "))
      4.000     2.200     1.000 peak   902 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HG1 "))
      3.000     1.200     0.500 peak   904 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "89  " and name "HG2 "))
 OR
   (( segid "    " and resid "90  " and name "HN  "))
   (( segid "    " and resid "25  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HB2 "))
      4.000     2.200     1.000 peak   916 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "21  " and name "HD11")
     OR 
    ( segid "    " and resid "21  " and name "HD13")
     OR 
    ( segid "    " and resid "21  " and name "HD12"))
      4.000     2.200     1.000 peak   917 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "91  " and name "HN  "))
   (( segid "    " and resid "27  " and name "HD21")
     OR 
    ( segid "    " and resid "27  " and name "HD23")
     OR 
    ( segid "    " and resid "27  " and name "HD22"))
 ASSI
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HA  "))
      4.000     2.200     1.000 peak   930 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "93  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HA  "))
 ASSI
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "94  " and name "HA  "))
      3.000     1.200     0.500 peak   942 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "95  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HA  "))
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HG2 "))
      3.000     1.200     0.500 peak   957 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HG1 "))
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HG1 "))
      4.000     2.200     1.000 peak   958 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HG2 "))
      4.000     2.200     1.000 peak   959 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "97  " and name "HN  "))
   (( segid "    " and resid "86  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "98  " and name "HG2 "))
      3.000     1.200     0.500 peak   967 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HG1 "))
      4.000     2.200     1.000 peak   971 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "97  " and name "HG2 "))
 ASSI
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "100 " and name "HG21")
     OR 
    ( segid "    " and resid "100 " and name "HG23")
     OR 
    ( segid "    " and resid "100 " and name "HG22"))
      4.000     2.200     1.000 peak   972 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "98  " and name "HN  "))
   (( segid "    " and resid "96  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "102 " and name "HA1 "))
      3.000     1.200     0.500 peak   984 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "102 " and name "HN  "))
   (( segid "    " and resid "102 " and name "HA2 "))
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HD2 "))
      4.000     2.200     1.000 peak   992 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HD1 "))
 ASSI
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB1 "))
      4.000     2.200     1.000 peak   994 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
 OR
   (( segid "    " and resid "103 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HG2 "))
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB1 "))
      3.000     1.200     0.500 peak  1007 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HG2 "))
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HG1 "))
      4.000     2.200     1.000 peak  1009 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HB  "))
 ASSI
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "105 " and name "HB1 ")
     OR 
    ( segid "    " and resid "105 " and name "HB3 ")
     OR 
    ( segid "    " and resid "105 " and name "HB2 "))
      4.000     2.200     1.000 peak  1011 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "42  " and name "HG  "))
 OR
   (( segid "    " and resid "104 " and name "HN  "))
   (( segid "    " and resid "103 " and name "HG2 "))
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB1 "))
      4.000     2.200     1.000 peak  1031 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HG2 "))
 OR
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "45  " and name "HB1 "))
 ASSI
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG12"))
      4.000     2.200     1.000 peak  1033 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG11"))
 OR
   (( segid "    " and resid "106 " and name "HN  "))
   (( segid "    " and resid "48  " and name "HB2 "))
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "102 " and name "HN  "))
      4.000     2.200     1.000 peak  1037 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "109 " and name "HN  "))
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HB1 "))
      3.000     1.200     0.500 peak  1044 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HB2 "))
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HB1 "))
      3.000     1.200     0.500 peak  1045 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "104 " and name "HG2 "))
 ASSI
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG12"))
      4.000     2.200     1.000 peak  1047 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "107 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG11"))
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HB2 "))
      4.000     2.200     1.000 peak  1060 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "106 " and name "HB1 "))
 ASSI
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG11"))
      3.000     1.200     0.500 peak  1061 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "108 " and name "HN  "))
   (( segid "    " and resid "108 " and name "HG12"))
 ASSI
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HA  "))
      3.000     1.200     0.500 peak  1085 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "110 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HA  "))
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "110 " and name "HA  "))
      3.000     1.200     0.500 peak  1097 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "107 " and name "HA  "))
 ASSI
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HG  "))
      4.000     2.200     1.000 peak  1103 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "111 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HB1 "))
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HB1 "))
      3.000     1.200     0.500 peak  1109 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HA  "))
 ASSI
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HB1 "))
      3.000     1.200     0.500 peak  1111 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "112 " and name "HN  "))
   (( segid "    " and resid "112 " and name "HG  "))
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "117 " and name "HA2 "))
      4.000     2.200     1.000 peak  1119 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HA  "))
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HB1 "))
      3.000     1.200     0.500 peak  1123 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HB2 "))
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HD2 "))
      3.000     1.200     0.500 peak  1125 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HD2 "))
 ASSI
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG2 "))
      3.000     1.200     0.500 peak  1126 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "113 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG1 "))
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "111 " and name "HA  "))
      3.000     1.200     0.500 peak  1131 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HA  "))
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HB2 "))
      3.000     1.200     0.500 peak  1135 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HB1 "))
 ASSI
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HD1 "))
      4.000     2.200     1.000 peak  1136 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HD2 "))
 OR
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HD2 "))
 OR
   (( segid "    " and resid "114 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HD2 "))
 ASSI
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG2 "))
      4.000     2.200     1.000 peak  1146 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "116 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG1 "))
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "115 " and name "HN  "))
      4.000     2.200     1.000 peak  1149 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "114 " and name "HN  "))
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "116 " and name "HA  "))
      3.000     1.200     0.500 peak  1151 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "117 " and name "HA1 "))
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HD2 "))
      4.000     2.200     1.000 peak  1155 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HD1 "))
 ASSI
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG2 "))
      4.000     2.200     1.000 peak  1157 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "117 " and name "HN  "))
   (( segid "    " and resid "113 " and name "HG1 "))
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "120 " and name "HA  "))
      4.000     2.200     1.000 peak  1162 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "117 " and name "HA2 "))
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HD2 "))
      4.000     2.200     1.000 peak  1163 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HD1 "))
 ASSI
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HB2 "))
      4.000     2.200     1.000 peak  1165 volume  0.000E+00 ppm1  -9999.000 ppm2  -9999.000
 OR
   (( segid "    " and resid "119 " and name "HN  "))
   (( segid "    " and resid "118 " and name "HG2 "))


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ASP   1           HT3      ASP   1  -8.438  10.836  10.836
    2   2H    ASP   1           HT2      ASP   1  -9.102   9.275   9.275
    3   3H    ASP   1           HT1      ASP   1  -9.836  10.564  10.564
    4    HA   ASP   1           HA       ASP   1  -8.167  10.662  10.662
    5   1HB   ASP   1           HB2      ASP   1  -9.657   8.421   8.421
    6   2HB   ASP   1           HB1      ASP   1  -8.032   7.743   7.743
    7    H    ALA   2           HN       ALA   2  -7.053   7.992   7.992
    8    HA   ALA   2           HA       ALA   2  -4.470   9.289   9.289
    9   1HB   ALA   2           HB2      ALA   2  -4.552   8.358   8.358
   10   2HB   ALA   2           HB1      ALA   2  -4.483   6.767   6.767
   11   3HB   ALA   2           HB3      ALA   2  -3.164   7.913   7.913
   12    HA   PRO   3           HA       PRO   3  -4.661   6.451   6.451
   13   1HB   PRO   3           HB2      PRO   3  -2.019   6.309   6.309
   14   2HB   PRO   3           HB1      PRO   3  -3.032   7.725   7.725
   15   1HG   PRO   3           HG2      PRO   3  -1.038   7.282   7.282
   16   2HG   PRO   3           HG1      PRO   3  -1.384   8.747   8.747
   17   1HD   PRO   3           HD2      PRO   3  -2.279   8.319   8.319
   18   2HD   PRO   3           HD1      PRO   3  -3.098   9.371   9.371
   19    H    GLU   4           HN       GLU   4  -5.132   4.334   4.334
   20    HA   GLU   4           HA       GLU   4  -3.421   2.768   2.768
   21   1HB   GLU   4           HB1      GLU   4  -6.083   2.774   2.774
   22   2HB   GLU   4           HB2      GLU   4  -5.366   1.245   1.245
   23   1HG   GLU   4           HG1      GLU   4  -4.683   1.971   1.971
   24   2HG   GLU   4           HG2      GLU   4  -6.417   1.772   1.772
   25    H    GLU   5           HN       GLU   5  -2.422   0.699   0.699
   26    HA   GLU   5           HA       GLU   5  -1.800   0.604   0.604
   27   1HB   GLU   5           HB1      GLU   5   0.088   0.406   0.406
   28   2HB   GLU   5           HB2      GLU   5   0.556   0.104   0.104
   29   1HG   GLU   5           HG2      GLU   5  -0.379   2.452   2.452
   30   2HG   GLU   5           HG1      GLU   5  -0.358   2.700   2.700
   31    H    GLU   6           HN       GLU   6  -0.625  -1.572  -1.572
   32    HA   GLU   6           HA       GLU   6  -1.801  -3.767  -3.767
   33   1HB   GLU   6           HB1      GLU   6  -2.061  -3.060  -3.060
   34   2HB   GLU   6           HB2      GLU   6  -1.826  -4.772  -4.772
   35   1HG   GLU   6           HG2      GLU   6  -3.803  -3.308  -3.308
   36   2HG   GLU   6           HG1      GLU   6  -4.261  -3.635  -3.635
   37    H    ASP   7           HN       ASP   7  -0.058  -4.872  -4.872
   38    HA   ASP   7           HA       ASP   7   2.042  -5.940  -5.940
   39   1HB   ASP   7           HB1      ASP   7   0.937  -6.259  -6.259
   40   2HB   ASP   7           HB2      ASP   7   2.685  -6.475  -6.475
   41    H    HIS   8           HN       HIS   8   2.761  -4.618  -4.618
   42    HA   HIS   8           HA       HIS   8   4.621  -2.655  -2.655
   43   1HB   HIS   8           HB1      HIS   8   5.034  -4.515  -4.515
   44   2HB   HIS   8           HB2      HIS   8   6.180  -3.261  -3.261
   45    HD1  HIS   8           HD1      HIS   8   5.493  -6.740  -6.740
   46    HD2  HIS   8           HD2      HIS   8   6.917  -3.652  -3.652
   47    HE1  HIS   8           HE1      HIS   8   6.632  -7.841  -7.841
   48    H    VAL   9           HN       VAL   9   2.100  -3.136  -3.136
   49    HA   VAL   9           HA       VAL   9   2.814  -0.650  -0.650
   50    HB   VAL   9           HB       VAL   9   1.157  -1.545  -1.545
   51   1HG1  VAL   9          HG23      VAL   9   3.571  -2.241  -2.241
   52   2HG1  VAL   9          HG22      VAL   9   3.129  -3.670  -3.670
   53   3HG1  VAL   9          HG21      VAL   9   2.476  -3.441  -3.441
   54   1HG2  VAL   9          HG13      VAL   9   0.331  -3.034  -3.034
   55   2HG2  VAL   9          HG12      VAL   9  -0.384  -3.040  -3.040
   56   3HG2  VAL   9          HG11      VAL   9   0.889  -4.192  -4.192
   57    H    LEU  10           HN       LEU  10   0.676   0.579   0.579
   58    HA   LEU  10           HA       LEU  10  -0.942   0.923   0.923
   59   1HB   LEU  10           HB1      LEU  10  -1.239   3.232   3.232
   60   2HB   LEU  10           HB2      LEU  10   0.435   2.828   2.828
   61    HG   LEU  10           HG       LEU  10  -0.325   2.036   2.036
   62   1HD1  LEU  10          HD22      LEU  10  -0.774   4.903   4.903
   63   2HD1  LEU  10          HD21      LEU  10  -0.437   4.453   4.453
   64   3HD1  LEU  10          HD23      LEU  10  -1.885   3.845   3.845
   65   1HD2  LEU  10          HD13      LEU  10   1.735   3.872   3.872
   66   2HD2  LEU  10          HD12      LEU  10   1.983   2.244   2.244
   67   3HD2  LEU  10          HD11      LEU  10   1.646   3.577   3.577
   68    H    VAL  11           HN       VAL  11  -3.088   2.123   2.123
   69    HA   VAL  11           HA       VAL  11  -4.339   0.587   0.587
   70    HB   VAL  11           HB       VAL  11  -5.020  -0.174  -0.174
   71   1HG1  VAL  11          HG23      VAL  11  -5.216   2.741   2.741
   72   2HG1  VAL  11          HG22      VAL  11  -6.567   1.819   1.819
   73   3HG1  VAL  11          HG21      VAL  11  -4.920   1.454   1.454
   74   1HG2  VAL  11          HG11      VAL  11  -6.651   0.114   0.114
   75   2HG2  VAL  11          HG13      VAL  11  -7.335  -0.182  -0.182
   76   3HG2  VAL  11          HG12      VAL  11  -7.316   1.452   1.452
   77    H    LEU  12           HN       LEU  12  -6.057   1.773   1.773
   78    HA   LEU  12           HA       LEU  12  -5.825   4.744   4.744
   79   1HB   LEU  12           HB2      LEU  12  -5.130   3.079   3.079
   80   2HB   LEU  12           HB1      LEU  12  -6.655   3.816   3.816
   81    HG   LEU  12           HG       LEU  12  -5.756   6.049   6.049
   82   1HD1  LEU  12          HD13      LEU  12  -3.476   4.472   4.472
   83   2HD1  LEU  12          HD12      LEU  12  -3.165   6.066   6.066
   84   3HD1  LEU  12          HD11      LEU  12  -4.296   5.890   5.890
   85   1HD2  LEU  12          HD21      LEU  12  -5.307   5.012   5.012
   86   2HD2  LEU  12          HD23      LEU  12  -3.981   6.072   6.072
   87   3HD2  LEU  12          HD22      LEU  12  -3.811   4.324   4.324
   88    H    ARG  13           HN       ARG  13  -7.765   5.928   5.928
   89    HA   ARG  13           HA       ARG  13 -10.311   4.435   4.435
   90   1HB   ARG  13           HB2      ARG  13  -9.189   5.680   5.680
   91   2HB   ARG  13           HB1      ARG  13 -10.722   6.438   6.438
   92   1HG   ARG  13           HG2      ARG  13 -11.821   4.249   4.249
   93   2HG   ARG  13           HG1      ARG  13 -10.287   3.449   3.449
   94   1HD   ARG  13           HD2      ARG  13 -11.137   5.592   5.592
   95   2HD   ARG  13           HD1      ARG  13 -12.009   4.049   4.049
   96    HE   ARG  13           HE       ARG  13  -9.646   2.997   2.997
   97   1HH1  ARG  13          HH11      ARG  13 -10.841   5.569   5.569
   98   2HH1  ARG  13          HH12      ARG  13  -9.348   5.901   5.901
   99   1HH2  ARG  13          HH21      ARG  13  -7.503   3.680   3.680
  100   2HH2  ARG  13          HH22      ARG  13  -7.459   4.832   4.832
  101    H    LYS  14           HN       LYS  14 -12.091   6.455   6.455
  102    HA   LYS  14           HA       LYS  14 -11.707   7.996   7.996
  103   1HB   LYS  14           HB1      LYS  14 -13.749   7.282   7.282
  104   2HB   LYS  14           HB2      LYS  14 -13.688   9.043   9.043
  105   1HG   LYS  14           HG2      LYS  14 -13.513   7.814   7.814
  106   2HG   LYS  14           HG1      LYS  14 -15.070   7.673   7.673
  107   1HD   LYS  14           HD2      LYS  14 -14.781  10.210  10.210
  108   2HD   LYS  14           HD1      LYS  14 -13.574  10.169  10.169
  109   1HE   LYS  14           HE2      LYS  14 -15.219   9.356   9.356
  110   2HE   LYS  14           HE1      LYS  14 -16.437   9.197   9.197
  111   1HZ   LYS  14           HZ2      LYS  14 -16.091  11.592  11.592
  112   2HZ   LYS  14           HZ1      LYS  14 -15.114  11.697  11.697
  113   3HZ   LYS  14           HZ3      LYS  14 -16.757  11.302  11.302
  114    H    SER  15           HN       SER  15 -10.811   8.530   8.530
  115    HA   SER  15           HA       SER  15 -10.435  11.452  11.452
  116   1HB   SER  15           HB2      SER  15  -9.963  11.217  11.217
  117   2HB   SER  15           HB1      SER  15 -11.619  11.107  11.107
  118    HG   SER  15           HG       SER  15 -11.679   9.117   9.117
  119    H    ASN  16           HN       ASN  16  -8.652   8.472   8.472
  120    HA   ASN  16           HA       ASN  16  -6.129   9.900   9.900
  121   1HB   ASN  16           HB2      ASN  16  -6.759   6.967   6.967
  122   2HB   ASN  16           HB1      ASN  16  -5.256   7.608   7.608
  123   1HD2  ASN  16          HD22      ASN  16  -7.169   6.711   6.711
  124   2HD2  ASN  16          HD21      ASN  16  -6.275   5.949   5.949
  125    H    PHE  17           HN       PHE  17  -7.757   8.405   8.405
  126    HA   PHE  17           HA       PHE  17  -5.572   7.862   7.862
  127   1HB   PHE  17           HB1      PHE  17  -8.016   7.328   7.328
  128   2HB   PHE  17           HB2      PHE  17  -8.271   9.015   9.015
  129    HD1  PHE  17           HD2      PHE  17  -7.200   9.946   9.946
  130    HD2  PHE  17           HD1      PHE  17  -6.922   5.778   5.778
  131    HE1  PHE  17           HE2      PHE  17  -6.461   9.441   9.441
  132    HE2  PHE  17           HE1      PHE  17  -6.183   5.272   5.272
  133    HZ   PHE  17           HZ       PHE  17  -5.952   7.102   7.102
  134    H    ALA  18           HN       ALA  18  -7.624  10.789  10.789
  135    HA   ALA  18           HA       ALA  18  -5.941  12.280  12.280
  136   1HB   ALA  18           HB2      ALA  18  -7.887  13.038  13.038
  137   2HB   ALA  18           HB1      ALA  18  -7.165  14.235  14.235
  138   3HB   ALA  18           HB3      ALA  18  -8.191  12.961  12.961
  139    H    GLU  19           HN       GLU  19  -5.561  11.585  11.585
  140    HA   GLU  19           HA       GLU  19  -3.608  13.765  13.765
  141   1HB   GLU  19           HB1      GLU  19  -5.311  13.069  13.069
  142   2HB   GLU  19           HB2      GLU  19  -4.539  11.487  11.487
  143   1HG   GLU  19           HG2      GLU  19  -2.445  12.527  12.527
  144   2HG   GLU  19           HG1      GLU  19  -3.174  14.127  14.127
  145    H    ALA  20           HN       ALA  20  -3.533  10.237  10.237
  146    HA   ALA  20           HA       ALA  20  -0.794   9.849   9.849
  147   1HB   ALA  20           HB2      ALA  20  -2.976   8.296   8.296
  148   2HB   ALA  20           HB1      ALA  20  -2.348   7.915   7.915
  149   3HB   ALA  20           HB3      ALA  20  -1.357   7.619   7.619
  150    H    LEU  21           HN       LEU  21  -2.608  10.270  10.270
  151    HA   LEU  21           HA       LEU  21  -0.429   9.585   9.585
  152   1HB   LEU  21           HB2      LEU  21  -3.167  10.554  10.554
  153   2HB   LEU  21           HB1      LEU  21  -2.165  11.381  11.381
  154    HG   LEU  21           HG       LEU  21  -1.333   8.762   8.762
  155   1HD1  LEU  21          HD11      LEU  21  -4.129   8.860   8.860
  156   2HD1  LEU  21          HD13      LEU  21  -3.833   7.804   7.804
  157   3HD1  LEU  21          HD12      LEU  21  -2.936   7.566   7.566
  158   1HD2  LEU  21          HD23      LEU  21  -3.117  10.624  10.624
  159   2HD2  LEU  21          HD22      LEU  21  -1.679   9.768   9.768
  160   3HD2  LEU  21          HD21      LEU  21  -3.227   8.927   8.927
  161    H    ALA  22           HN       ALA  22  -1.799  12.742  12.742
  162    HA   ALA  22           HA       ALA  22   0.469  14.196  14.196
  163   1HB   ALA  22           HB3      ALA  22  -2.222  14.668  14.668
  164   2HB   ALA  22           HB2      ALA  22  -1.197  15.775  15.775
  165   3HB   ALA  22           HB1      ALA  22  -1.143  15.773  15.773
  166    H    ALA  23           HN       ALA  23   0.168  12.458  12.458
  167    HA   ALA  23           HA       ALA  23   1.655  14.402  14.402
  168   1HB   ALA  23           HB1      ALA  23  -0.358  13.143  13.143
  169   2HB   ALA  23           HB3      ALA  23   0.540  11.640  11.640
  170   3HB   ALA  23           HB2      ALA  23   1.085  12.826  12.826
  171    H    HIS  24           HN       HIS  24   1.949  11.097  11.097
  172    HA   HIS  24           HA       HIS  24   4.881  11.192  11.192
  173   1HB   HIS  24           HB1      HIS  24   2.740   9.118   9.118
  174   2HB   HIS  24           HB2      HIS  24   4.351   8.577   8.577
  175    HD1  HIS  24           HD1      HIS  24   6.326   9.550   9.550
  176    HD2  HIS  24           HD2      HIS  24   2.445   9.213   9.213
  177    HE1  HIS  24           HE1      HIS  24   6.522   9.553   9.553
  178    H    LYS  25           HN       LYS  25   6.180  11.316  11.316
  179    HA   LYS  25           HA       LYS  25   5.297  11.477  11.477
  180   1HB   LYS  25           HB2      LYS  25   7.579  11.952  11.952
  181   2HB   LYS  25           HB1      LYS  25   7.968  10.301  10.301
  182   1HG   LYS  25           HG2      LYS  25   8.546  11.123  11.123
  183   2HG   LYS  25           HG1      LYS  25   6.840  11.478  11.478
  184   1HD   LYS  25           HD2      LYS  25   7.647  13.616  13.616
  185   2HD   LYS  25           HD1      LYS  25   7.491  13.604  13.604
  186   1HE   LYS  25           HE2      LYS  25   9.742  13.735  13.735
  187   2HE   LYS  25           HE1      LYS  25  10.032  12.445  12.445
  188   1HZ   LYS  25           HZ2      LYS  25   9.113  15.121  15.121
  189   2HZ   LYS  25           HZ1      LYS  25  10.766  14.808  14.808
  190   3HZ   LYS  25           HZ3      LYS  25   9.897  13.925  13.925
  191    H    TYR  26           HN       TYR  26   7.096   8.669   8.669
  192    HA   TYR  26           HA       TYR  26   5.997   6.930   6.930
  193   1HB   TYR  26           HB1      TYR  26   7.856   6.459   6.459
  194   2HB   TYR  26           HB2      TYR  26   7.562   5.308   5.308
  195    HD1  TYR  26           HD2      TYR  26   7.459   7.102   7.102
  196    HD2  TYR  26           HD1      TYR  26  10.099   7.117   7.117
  197    HE1  TYR  26           HE2      TYR  26   9.202   8.218   8.218
  198    HE2  TYR  26           HE1      TYR  26  11.843   8.235   8.235
  199    HH   TYR  26           HH       TYR  26  11.167   9.408   9.408
  200    H    LEU  27           HN       LEU  27   3.901   6.222   6.222
  201    HA   LEU  27           HA       LEU  27   3.372   4.969   4.969
  202   1HB   LEU  27           HB1      LEU  27   2.570   7.449   7.449
  203   2HB   LEU  27           HB2      LEU  27   1.284   6.655   6.655
  204    HG   LEU  27           HG       LEU  27   0.961   5.173   5.173
  205   1HD1  LEU  27          HD13      LEU  27   2.986   7.150   7.150
  206   2HD1  LEU  27          HD12      LEU  27   1.702   6.718   6.718
  207   3HD1  LEU  27          HD11      LEU  27   2.759   5.466   5.466
  208   1HD2  LEU  27          HD21      LEU  27  -0.010   7.753   7.753
  209   2HD2  LEU  27          HD23      LEU  27  -0.811   6.527   6.527
  210   3HD2  LEU  27          HD22      LEU  27   0.217   7.737   7.737
  211    H    LEU  28           HN       LEU  28   2.811   2.891   2.891
  212    HA   LEU  28           HA       LEU  28   1.533   2.250   2.250
  213   1HB   LEU  28           HB2      LEU  28   3.494   1.088   1.088
  214   2HB   LEU  28           HB1      LEU  28   2.083   0.122   0.122
  215    HG   LEU  28           HG       LEU  28   3.341  -0.810  -0.810
  216   1HD1  LEU  28          HD22      LEU  28   0.594  -0.466  -0.466
  217   2HD1  LEU  28          HD21      LEU  28   0.903   0.011   0.011
  218   3HD1  LEU  28          HD23      LEU  28   1.386  -1.588  -1.588
  219   1HD2  LEU  28          HD11      LEU  28   3.728   1.748   1.748
  220   2HD2  LEU  28          HD13      LEU  28   3.807   0.398   0.398
  221   3HD2  LEU  28          HD12      LEU  28   2.332   1.359   1.359
  222    H    VAL  29           HN       VAL  29  -0.507   1.190   1.190
  223    HA   VAL  29           HA       VAL  29  -2.032   0.769   0.769
  224    HB   VAL  29           HB       VAL  29  -2.299   3.151   3.151
  225   1HG1  VAL  29          HG12      VAL  29  -2.198   2.221   2.221
  226   2HG1  VAL  29          HG11      VAL  29  -3.716   3.090   3.090
  227   3HG1  VAL  29          HG13      VAL  29  -2.181   3.884   3.884
  228   1HG2  VAL  29          HG22      VAL  29  -4.635   1.345   1.345
  229   2HG2  VAL  29          HG21      VAL  29  -4.322   2.324   2.324
  230   3HG2  VAL  29          HG23      VAL  29  -4.831   3.095   3.095
  231    H    GLU  30           HN       GLU  30  -3.421  -0.949  -0.949
  232    HA   GLU  30           HA       GLU  30  -4.043  -1.757  -1.757
  233   1HB   GLU  30           HB2      GLU  30  -2.333  -3.195  -3.195
  234   2HB   GLU  30           HB1      GLU  30  -3.227  -3.383  -3.383
  235   1HG   GLU  30           HG2      GLU  30  -5.057  -4.508  -4.508
  236   2HG   GLU  30           HG1      GLU  30  -4.081  -4.387  -4.387
  237    H    PHE  31           HN       PHE  31  -6.162  -2.498  -2.498
  238    HA   PHE  31           HA       PHE  31  -8.081  -2.057  -2.057
  239   1HB   PHE  31           HB2      PHE  31  -8.341  -2.190  -2.190
  240   2HB   PHE  31           HB1      PHE  31  -9.679  -1.879  -1.879
  241    HD1  PHE  31           HD2      PHE  31  -6.312  -0.612  -0.612
  242    HD2  PHE  31           HD1      PHE  31 -10.100   0.303   0.303
  243    HE1  PHE  31           HE2      PHE  31  -5.703   1.791   1.791
  244    HE2  PHE  31           HE1      PHE  31  -9.491   2.706   2.706
  245    HZ   PHE  31           HZ       PHE  31  -7.292   3.450   3.450
  246    H    TYR  32           HN       TYR  32  -8.681  -3.956  -3.956
  247    HA   TYR  32           HA       TYR  32  -9.287  -6.315  -6.315
  248   1HB   TYR  32           HB2      TYR  32  -8.035  -7.746  -7.746
  249   2HB   TYR  32           HB1      TYR  32  -6.982  -6.433  -6.433
  250    HD1  TYR  32           HD2      TYR  32  -6.913  -4.313  -4.313
  251    HD2  TYR  32           HD1      TYR  32  -8.340  -8.159  -8.159
  252    HE1  TYR  32           HE2      TYR  32  -6.570  -3.658  -3.658
  253    HE2  TYR  32           HE1      TYR  32  -7.998  -7.506  -7.506
  254    HH   TYR  32           HH       TYR  32  -7.750  -4.534  -4.534
  255    H    ALA  33           HN       ALA  33 -10.383  -8.061  -8.061
  256    HA   ALA  33           HA       ALA  33 -12.229  -6.605  -6.605
  257   1HB   ALA  33           HB3      ALA  33 -13.201  -7.036  -7.036
  258   2HB   ALA  33           HB2      ALA  33 -12.925  -8.761  -8.761
  259   3HB   ALA  33           HB1      ALA  33 -14.060  -7.894  -7.894
  260    HA   PRO  34           HA       PRO  34 -11.440  -9.892  -9.892
  261   1HB   PRO  34           HB1      PRO  34 -13.899 -10.302 -10.302
  262   2HB   PRO  34           HB2      PRO  34 -12.884  -8.894  -8.894
  263   1HG   PRO  34           HG2      PRO  34 -15.213  -9.131  -9.131
  264   2HG   PRO  34           HG1      PRO  34 -14.796  -7.823  -7.823
  265   1HD   PRO  34           HD1      PRO  34 -14.317  -7.671  -7.671
  266   2HD   PRO  34           HD2      PRO  34 -13.284  -6.879  -6.879
  267    H    TRP  35           HN       TRP  35 -13.914 -10.262 -10.262
  268    HA   TRP  35           HA       TRP  35 -14.137 -13.181 -13.181
  269   1HB   TRP  35           HB2      TRP  35 -15.822 -12.971 -12.971
  270   2HB   TRP  35           HB1      TRP  35 -16.112 -11.801 -11.801
  271    HD1  TRP  35           HD1      TRP  35 -16.181  -9.332  -9.332
  272    HE1  TRP  35           HE1      TRP  35 -15.703  -7.999  -7.999
  273    HE3  TRP  35           HE3      TRP  35 -14.163 -13.024 -13.024
  274    HZ2  TRP  35           HZ2      TRP  35 -14.609  -8.439  -8.439
  275    HZ3  TRP  35           HZ3      TRP  35 -13.414 -12.540 -12.540
  276    HH2  TRP  35           HH2      TRP  35 -13.633 -10.253 -10.253
  277    H    CYS  36           HN       CYS  36 -12.221 -10.980 -10.980
  278    HA   CYS  36           HA       CYS  36 -11.746 -12.444 -12.444
  279   1HB   CYS  36           HB1      CYS  36 -11.009 -10.140 -10.140
  280   2HB   CYS  36           HB2      CYS  36  -9.925 -10.710 -10.710
  281    H    GLY  37           HN       GLY  37  -9.992 -13.927 -13.927
  282   1HA   GLY  37           HA2      GLY  37  -9.013 -15.444 -15.444
  283   2HA   GLY  37           HA1      GLY  37  -9.361 -16.194 -16.194
  284    H    HIS  38           HN       HIS  38  -8.140 -13.991 -13.991
  285    HA   HIS  38           HA       HIS  38  -5.324 -14.873 -14.873
  286   1HB   HIS  38           HB2      HIS  38  -7.164 -13.983 -13.983
  287   2HB   HIS  38           HB1      HIS  38  -5.715 -12.981 -12.981
  288    HD1  HIS  38           HD1      HIS  38  -6.698 -16.658 -16.658
  289    HD2  HIS  38           HD2      HIS  38  -3.519 -14.226 -14.226
  290    HE1  HIS  38           HE1      HIS  38  -5.065 -18.153 -18.153
  291    H    CYS  39           HN       CYS  39  -6.945 -12.643 -12.643
  292    HA   CYS  39           HA       CYS  39  -5.062 -10.381 -10.381
  293   1HB   CYS  39           HB2      CYS  39  -7.578 -10.776 -10.776
  294   2HB   CYS  39           HB1      CYS  39  -6.680  -9.260  -9.260
  295    H    LYS  40           HN       LYS  40  -4.907 -13.199 -13.199
  296    HA   LYS  40           HA       LYS  40  -3.474 -11.914 -11.914
  297   1HB   LYS  40           HB2      LYS  40  -4.338 -13.723 -13.723
  298   2HB   LYS  40           HB1      LYS  40  -5.685 -12.939 -12.939
  299   1HG   LYS  40           HG2      LYS  40  -6.192 -15.164 -15.164
  300   2HG   LYS  40           HG1      LYS  40  -5.215 -14.801 -14.801
  301   1HD   LYS  40           HD2      LYS  40  -3.555 -16.194 -16.194
  302   2HD   LYS  40           HD1      LYS  40  -3.612 -15.607 -15.607
  303   1HE   LYS  40           HE2      LYS  40  -5.903 -16.969 -16.969
  304   2HE   LYS  40           HE1      LYS  40  -5.105 -17.882 -17.882
  305   1HZ   LYS  40           HZ2      LYS  40  -3.087 -17.888 -17.888
  306   2HZ   LYS  40           HZ1      LYS  40  -4.111 -17.369 -17.369
  307   3HZ   LYS  40           HZ3      LYS  40  -4.381 -18.868 -18.868
  308    H    ALA  41           HN       ALA  41  -3.083 -13.756 -13.756
  309    HA   ALA  41           HA       ALA  41  -1.407 -15.912 -15.912
  310   1HB   ALA  41           HB1      ALA  41  -2.091 -14.332 -14.332
  311   2HB   ALA  41           HB3      ALA  41  -0.433 -14.931 -14.931
  312   3HB   ALA  41           HB2      ALA  41  -1.774 -16.061 -16.061
  313    H    LEU  42           HN       LEU  42  -0.816 -12.492 -12.492
  314    HA   LEU  42           HA       LEU  42   2.042 -13.052 -13.052
  315   1HB   LEU  42           HB2      LEU  42   2.660 -11.048 -11.048
  316   2HB   LEU  42           HB1      LEU  42   1.789 -12.179 -12.179
  317    HG   LEU  42           HG       LEU  42   0.266 -10.036 -10.036
  318   1HD1  LEU  42          HD13      LEU  42   2.368  -9.531  -9.531
  319   2HD1  LEU  42          HD12      LEU  42   0.838  -9.209  -9.209
  320   3HD1  LEU  42          HD11      LEU  42   1.228  -8.377  -8.377
  321   1HD2  LEU  42          HD21      LEU  42  -0.323 -12.102 -12.102
  322   2HD2  LEU  42          HD23      LEU  42  -1.417 -10.852 -10.852
  323   3HD2  LEU  42          HD22      LEU  42  -0.485 -10.586 -10.586
  324    H    ALA  43           HN       ALA  43  -0.466 -12.509 -12.509
  325    HA   ALA  43           HA       ALA  43  -0.652  -9.930  -9.930
  326   1HB   ALA  43           HB2      ALA  43  -1.555 -12.503 -12.503
  327   2HB   ALA  43           HB1      ALA  43  -0.681 -12.042 -12.042
  328   3HB   ALA  43           HB3      ALA  43  -2.009 -11.039 -11.039
  329    HA   PRO  44           HA       PRO  44   3.007 -10.794 -10.794
  330   1HB   PRO  44           HB1      PRO  44   4.406 -13.124 -13.124
  331   2HB   PRO  44           HB2      PRO  44   2.953 -12.976 -12.976
  332   1HG   PRO  44           HG2      PRO  44   3.319 -14.277 -14.277
  333   2HG   PRO  44           HG1      PRO  44   2.138 -14.611 -14.611
  334   1HD   PRO  44           HD2      PRO  44   1.700 -13.177 -13.177
  335   2HD   PRO  44           HD1      PRO  44   0.590 -13.331 -13.331
  336    H    GLU  45           HN       GLU  45   3.123 -11.463 -11.463
  337    HA   GLU  45           HA       GLU  45   6.037 -11.022 -11.022
  338   1HB   GLU  45           HB2      GLU  45   3.696 -11.750 -11.750
  339   2HB   GLU  45           HB1      GLU  45   5.143 -11.103 -11.103
  340   1HG   GLU  45           HG2      GLU  45   6.273 -13.033 -13.033
  341   2HG   GLU  45           HG1      GLU  45   5.799 -13.115 -13.115
  342    H    TYR  46           HN       TYR  46   2.961  -9.408  -9.408
  343    HA   TYR  46           HA       TYR  46   4.103  -7.046  -7.046
  344   1HB   TYR  46           HB2      TYR  46   1.898  -7.345  -7.345
  345   2HB   TYR  46           HB1      TYR  46   1.503  -8.153  -8.153
  346    HD1  TYR  46           HD2      TYR  46   1.932  -4.824  -4.824
  347    HD2  TYR  46           HD1      TYR  46   0.633  -6.976  -6.976
  348    HE1  TYR  46           HE2      TYR  46   0.851  -2.768  -2.768
  349    HE2  TYR  46           HE1      TYR  46  -0.449  -4.917  -4.917
  350    HH   TYR  46           HH       TYR  46  -0.003  -1.811  -1.811
  351    H    ALA  47           HN       ALA  47   3.678  -8.154  -8.154
  352    HA   ALA  47           HA       ALA  47   3.899  -5.440  -5.440
  353   1HB   ALA  47           HB1      ALA  47   2.410  -7.218  -7.218
  354   2HB   ALA  47           HB3      ALA  47   3.834  -8.203  -8.203
  355   3HB   ALA  47           HB2      ALA  47   3.597  -6.673  -6.673
  356    H    LYS  48           HN       LYS  48   5.941  -8.190  -8.190
  357    HA   LYS  48           HA       LYS  48   8.103  -7.541  -7.541
  358   1HB   LYS  48           HB2      LYS  48   7.360  -9.538  -9.538
  359   2HB   LYS  48           HB1      LYS  48   8.941  -8.930  -8.930
  360   1HG   LYS  48           HG2      LYS  48   9.478 -10.630 -10.630
  361   2HG   LYS  48           HG1      LYS  48   9.572  -9.160  -9.160
  362   1HD   LYS  48           HD2      LYS  48   6.985  -9.690  -9.690
  363   2HD   LYS  48           HD1      LYS  48   7.524 -11.334 -11.334
  364   1HE   LYS  48           HE2      LYS  48   8.117 -11.413 -11.413
  365   2HE   LYS  48           HE1      LYS  48   9.475 -10.367 -10.367
  366   1HZ   LYS  48           HZ2      LYS  48   6.757  -9.425  -9.425
  367   2HZ   LYS  48           HZ1      LYS  48   8.125  -9.352  -9.352
  368   3HZ   LYS  48           HZ3      LYS  48   8.072  -8.437  -8.437
  369    H    ALA  49           HN       ALA  49   7.296  -6.663  -6.663
  370    HA   ALA  49           HA       ALA  49   9.802  -5.448  -5.448
  371   1HB   ALA  49           HB3      ALA  49   7.898  -6.151  -6.151
  372   2HB   ALA  49           HB2      ALA  49   7.011  -4.732  -4.732
  373   3HB   ALA  49           HB1      ALA  49   8.520  -4.534  -4.534
  374    H    ALA  50           HN       ALA  50   7.212  -4.418  -4.418
  375    HA   ALA  50           HA       ALA  50   7.906  -1.554  -1.554
  376   1HB   ALA  50           HB3      ALA  50   5.595  -2.696  -2.696
  377   2HB   ALA  50           HB2      ALA  50   6.133  -2.906  -2.906
  378   3HB   ALA  50           HB1      ALA  50   5.983  -1.287  -1.287
  379    H    GLY  51           HN       GLY  51   8.844  -4.342  -4.342
  380   1HA   GLY  51           HA2      GLY  51   9.837  -2.739  -2.739
  381   2HA   GLY  51           HA1      GLY  51   9.924  -4.495  -4.495
  382    H    LYS  52           HN       LYS  52  11.004  -4.038  -4.038
  383    HA   LYS  52           HA       LYS  52  13.772  -4.348  -4.348
  384   1HB   LYS  52           HB2      LYS  52  14.001  -3.985  -3.985
  385   2HB   LYS  52           HB1      LYS  52  12.603  -5.002  -5.002
  386   1HG   LYS  52           HG2      LYS  52  11.580  -3.502  -3.502
  387   2HG   LYS  52           HG1      LYS  52  11.392  -2.610  -2.610
  388   1HD   LYS  52           HD2      LYS  52  12.398  -0.935  -0.935
  389   2HD   LYS  52           HD1      LYS  52  13.873  -1.787  -1.787
  390   1HE   LYS  52           HE2      LYS  52  13.361  -3.197  -3.197
  391   2HE   LYS  52           HE1      LYS  52  12.468  -1.732  -1.732
  392   1HZ   LYS  52           HZ1      LYS  52  15.180  -1.570  -1.570
  393   2HZ   LYS  52           HZ3      LYS  52  14.964  -1.801  -1.801
  394   3HZ   LYS  52           HZ2      LYS  52  14.347  -0.407  -0.407
  395    H    LEU  53           HN       LEU  53  11.798  -1.482  -1.482
  396    HA   LEU  53           HA       LEU  53  14.096   0.329   0.329
  397   1HB   LEU  53           HB1      LEU  53  12.329   2.030   2.030
  398   2HB   LEU  53           HB2      LEU  53  11.867   0.670   0.670
  399    HG   LEU  53           HG       LEU  53  10.821  -0.141  -0.141
  400   1HD1  LEU  53          HD13      LEU  53  11.202   2.797   2.797
  401   2HD1  LEU  53          HD12      LEU  53   9.606   2.210   2.210
  402   3HD1  LEU  53          HD11      LEU  53  11.040   1.627   1.627
  403   1HD2  LEU  53          HD22      LEU  53   9.517   1.733   1.733
  404   2HD2  LEU  53          HD21      LEU  53   9.641  -0.019  -0.019
  405   3HD2  LEU  53          HD23      LEU  53   8.657   0.681   0.681
  406    H    LYS  54           HN       LYS  54  12.058  -0.876  -0.876
  407    HA   LYS  54           HA       LYS  54  12.417   1.067   1.067
  408   1HB   LYS  54           HB2      LYS  54  11.990  -1.865  -1.865
  409   2HB   LYS  54           HB1      LYS  54  12.568  -1.270  -1.270
  410   1HG   LYS  54           HG2      LYS  54  10.557   0.534   0.534
  411   2HG   LYS  54           HG1      LYS  54   9.923  -1.096  -1.096
  412   1HD   LYS  54           HD2      LYS  54  10.618  -1.632  -1.632
  413   2HD   LYS  54           HD1      LYS  54  11.068   0.061   0.061
  414   1HE   LYS  54           HE2      LYS  54   8.915   0.532   0.532
  415   2HE   LYS  54           HE1      LYS  54   8.433   0.010   0.010
  416   1HZ   LYS  54           HZ3      LYS  54   8.462  -2.285  -2.285
  417   2HZ   LYS  54           HZ2      LYS  54   8.887  -1.775  -1.775
  418   3HZ   LYS  54           HZ1      LYS  54   7.372  -1.363  -1.363
  419    H    ALA  55           HN       ALA  55  14.668  -1.455  -1.455
  420    HA   ALA  55           HA       ALA  55  16.656  -0.909  -0.909
  421   1HB   ALA  55           HB2      ALA  55  16.505  -2.470  -2.470
  422   2HB   ALA  55           HB1      ALA  55  18.024  -2.336  -2.336
  423   3HB   ALA  55           HB3      ALA  55  16.620  -3.084  -3.084
  424    H    GLU  56           HN       GLU  56  15.852   0.483   0.483
  425    HA   GLU  56           HA       GLU  56  18.509   1.832   1.832
  426   1HB   GLU  56           HB1      GLU  56  16.164   1.487   1.487
  427   2HB   GLU  56           HB2      GLU  56  17.606   2.420   2.420
  428   1HG   GLU  56           HG2      GLU  56  18.200  -0.256  -0.256
  429   2HG   GLU  56           HG1      GLU  56  17.298  -0.284  -0.284
  430    H    GLY  57           HN       GLY  57  15.080   2.705   2.705
  431   1HA   GLY  57           HA1      GLY  57  14.142   4.529   4.529
  432   2HA   GLY  57           HA2      GLY  57  15.691   5.347   5.347
  433    H    SER  58           HN       SER  58  14.294   3.681   3.681
  434    HA   SER  58           HA       SER  58  14.327   6.050   6.050
  435   1HB   SER  58           HB2      SER  58  13.560   3.189   3.189
  436   2HB   SER  58           HB1      SER  58  12.763   4.255   4.255
  437    HG   SER  58           HG       SER  58  14.609   4.634   4.634
  438    H    GLU  59           HN       GLU  59  12.251   6.773   6.773
  439    HA   GLU  59           HA       GLU  59  10.090   7.147   7.147
  440   1HB   GLU  59           HB1      GLU  59   9.531   9.094   9.094
  441   2HB   GLU  59           HB2      GLU  59  11.200   9.141   9.141
  442   1HG   GLU  59           HG2      GLU  59  12.034   8.905   8.905
  443   2HG   GLU  59           HG1      GLU  59  10.861   7.656   7.656
  444    H    ILE  60           HN       ILE  60  10.584   4.868   4.868
  445    HA   ILE  60           HA       ILE  60   8.211   5.097   5.097
  446    HB   ILE  60           HB       ILE  60   8.964   2.913   2.913
  447   1HG1  ILE  60          HG12      ILE  60  10.882   2.976   2.976
  448   2HG1  ILE  60          HG11      ILE  60   9.481   1.917   1.917
  449   1HG2  ILE  60          HG21      ILE  60  10.375   5.228   5.228
  450   2HG2  ILE  60          HG23      ILE  60  11.602   4.169   4.169
  451   3HG2  ILE  60          HG22      ILE  60  10.827   3.736   3.736
  452   1HD1  ILE  60          HD11      ILE  60  10.894   1.582   1.582
  453   2HD1  ILE  60          HD13      ILE  60  12.133   1.621   1.621
  454   3HD1  ILE  60          HD12      ILE  60  10.824   0.444   0.444
  455    H    ARG  61           HN       ARG  61   6.188   4.229   4.229
  456    HA   ARG  61           HA       ARG  61   5.938   2.317   2.317
  457   1HB   ARG  61           HB2      ARG  61   4.613   5.009   5.009
  458   2HB   ARG  61           HB1      ARG  61   3.958   3.790   3.790
  459   1HG   ARG  61           HG2      ARG  61   6.077   3.729   3.729
  460   2HG   ARG  61           HG1      ARG  61   6.773   4.912   4.912
  461   1HD   ARG  61           HD2      ARG  61   5.524   6.666   6.666
  462   2HD   ARG  61           HD1      ARG  61   4.198   5.600   5.600
  463    HE   ARG  61           HE       ARG  61   5.370   5.197   5.197
  464   1HH1  ARG  61          HH21      ARG  61   7.883   4.216   4.216
  465   2HH1  ARG  61          HH22      ARG  61   9.052   5.370   5.370
  466   1HH2  ARG  61          HH11      ARG  61   6.677   7.684   7.684
  467   2HH2  ARG  61          HH12      ARG  61   8.368   7.334   7.334
  468    H    LEU  62           HN       LEU  62   4.158   0.907   0.907
  469    HA   LEU  62           HA       LEU  62   2.696   1.037   1.037
  470   1HB   LEU  62           HB2      LEU  62   3.260  -1.300  -1.300
  471   2HB   LEU  62           HB1      LEU  62   2.554  -1.400  -1.400
  472    HG   LEU  62           HG       LEU  62   4.951   0.088   0.088
  473   1HD1  LEU  62          HD22      LEU  62   5.461  -0.996  -0.996
  474   2HD1  LEU  62          HD21      LEU  62   5.473  -2.538  -2.538
  475   3HD1  LEU  62          HD23      LEU  62   6.638  -1.283  -1.283
  476   1HD2  LEU  62          HD11      LEU  62   3.854  -2.555  -2.555
  477   2HD2  LEU  62          HD13      LEU  62   4.425  -1.210  -1.210
  478   3HD2  LEU  62          HD12      LEU  62   5.585  -2.292  -2.292
  479    H    ALA  63           HN       ALA  63   0.414   0.020   0.020
  480    HA   ALA  63           HA       ALA  63  -0.819   0.174   0.174
  481   1HB   ALA  63           HB2      ALA  63  -0.565   2.523   2.523
  482   2HB   ALA  63           HB1      ALA  63  -1.683   2.057   2.057
  483   3HB   ALA  63           HB3      ALA  63  -2.220   2.060   2.060
  484    H    LYS  64           HN       LYS  64  -3.252  -0.239  -0.239
  485    HA   LYS  64           HA       LYS  64  -4.040  -1.685  -1.685
  486   1HB   LYS  64           HB1      LYS  64  -3.094  -2.877  -2.877
  487   2HB   LYS  64           HB2      LYS  64  -4.823  -3.207  -3.207
  488   1HG   LYS  64           HG2      LYS  64  -4.229  -3.775  -3.775
  489   2HG   LYS  64           HG1      LYS  64  -2.616  -4.031  -4.031
  490   1HD   LYS  64           HD2      LYS  64  -4.439  -5.278  -5.278
  491   2HD   LYS  64           HD1      LYS  64  -4.908  -5.762  -5.762
  492   1HE   LYS  64           HE1      LYS  64  -2.735  -6.655  -6.655
  493   2HE   LYS  64           HE2      LYS  64  -2.037  -5.885  -5.885
  494   1HZ   LYS  64           HZ1      LYS  64  -3.818  -7.173  -7.173
  495   2HZ   LYS  64           HZ3      LYS  64  -3.994  -8.106  -8.106
  496   3HZ   LYS  64           HZ2      LYS  64  -2.501  -8.067  -8.067
  497    H    VAL  65           HN       VAL  65  -6.392  -1.945  -1.945
  498    HA   VAL  65           HA       VAL  65  -7.921  -0.356  -0.356
  499    HB   VAL  65           HB       VAL  65  -8.125  -0.292  -0.292
  500   1HG1  VAL  65          HG12      VAL  65 -10.284  -0.030  -0.030
  501   2HG1  VAL  65          HG11      VAL  65  -9.577   1.469   1.469
  502   3HG1  VAL  65          HG13      VAL  65  -9.896   1.281   1.281
  503   1HG2  VAL  65          HG21      VAL  65  -6.747   1.367   1.367
  504   2HG2  VAL  65          HG23      VAL  65  -6.345   1.104   1.104
  505   3HG2  VAL  65          HG22      VAL  65  -7.612   2.250   2.250
  506    H    ASP  66           HN       ASP  66 -10.090  -1.051  -1.051
  507    HA   ASP  66           HA       ASP  66 -10.637  -3.828  -3.828
  508   1HB   ASP  66           HB1      ASP  66 -11.473  -2.016  -2.016
  509   2HB   ASP  66           HB2      ASP  66 -12.571  -3.313  -3.313
  510    H    ALA  67           HN       ALA  67 -11.358  -3.369  -3.369
  511    HA   ALA  67           HA       ALA  67 -13.038  -1.390  -1.390
  512   1HB   ALA  67           HB1      ALA  67 -12.066  -3.916  -3.916
  513   2HB   ALA  67           HB3      ALA  67 -13.811  -3.996  -3.996
  514   3HB   ALA  67           HB2      ALA  67 -12.869  -2.736  -2.736
  515    H    THR  68           HN       THR  68 -13.933  -4.071  -4.071
  516    HA   THR  68           HA       THR  68 -16.823  -3.683  -3.683
  517    HB   THR  68           HB       THR  68 -16.875  -5.423  -5.423
  518    HG1  THR  68           HG1      THR  68 -15.069  -5.974  -5.974
  519   1HG2  THR  68          HG21      THR  68 -16.661  -5.912  -5.912
  520   2HG2  THR  68          HG23      THR  68 -14.937  -6.138  -6.138
  521   3HG2  THR  68          HG22      THR  68 -16.107  -7.191  -7.191
  522    H    GLU  69           HN       GLU  69 -14.312  -2.582  -2.582
  523    HA   GLU  69           HA       GLU  69 -16.192  -1.612  -1.612
  524   1HB   GLU  69           HB1      GLU  69 -13.783  -2.499  -2.499
  525   2HB   GLU  69           HB2      GLU  69 -13.265  -0.932  -0.932
  526   1HG   GLU  69           HG1      GLU  69 -15.233  -0.407  -0.407
  527   2HG   GLU  69           HG2      GLU  69 -14.145  -1.613  -1.613
  528    H    GLU  70           HN       GLU  70 -13.761   0.018   0.018
  529    HA   GLU  70           HA       GLU  70 -15.120   2.597   2.597
  530   1HB   GLU  70           HB2      GLU  70 -12.825   1.698   1.698
  531   2HB   GLU  70           HB1      GLU  70 -13.242   3.370   3.370
  532   1HG   GLU  70           HG2      GLU  70 -11.900   3.210   3.210
  533   2HG   GLU  70           HG1      GLU  70 -13.066   2.075   2.075
  534    H    SER  71           HN       SER  71 -14.140   0.849   0.849
  535    HA   SER  71           HA       SER  71 -15.218   0.638   0.638
  536   1HB   SER  71           HB2      SER  71 -16.997   0.054   0.054
  537   2HB   SER  71           HB1      SER  71 -17.903   1.113   1.113
  538    HG   SER  71           HG       SER  71 -16.407  -1.139  -1.139
  539    H    ASP  72           HN       ASP  72 -14.744   3.440   3.440
  540    HA   ASP  72           HA       ASP  72 -16.703   5.031   5.031
  541   1HB   ASP  72           HB1      ASP  72 -15.452   5.227   5.227
  542   2HB   ASP  72           HB2      ASP  72 -14.884   6.586   6.586
  543    H    LEU  73           HN       LEU  73 -13.263   4.335   4.335
  544    HA   LEU  73           HA       LEU  73 -12.563   6.287   6.287
  545   1HB   LEU  73           HB2      LEU  73 -10.889   4.382   4.382
  546   2HB   LEU  73           HB1      LEU  73 -10.269   5.695   5.695
  547    HG   LEU  73           HG       LEU  73 -12.145   6.983   6.983
  548   1HD1  LEU  73          HD13      LEU  73 -11.086   4.593   4.593
  549   2HD1  LEU  73          HD12      LEU  73 -11.154   6.106   6.106
  550   3HD1  LEU  73          HD11      LEU  73 -12.624   5.434   5.434
  551   1HD2  LEU  73          HD23      LEU  73  -9.183   6.558   6.558
  552   2HD2  LEU  73          HD22      LEU  73  -9.912   7.824   7.824
  553   3HD2  LEU  73          HD21      LEU  73 -10.147   7.823   7.823
  554    H    ALA  74           HN       ALA  74 -13.149   2.884   2.884
  555    HA   ALA  74           HA       ALA  74 -11.653   1.959   1.959
  556   1HB   ALA  74           HB2      ALA  74 -12.852   0.874   0.874
  557   2HB   ALA  74           HB1      ALA  74 -13.938   0.367   0.367
  558   3HB   ALA  74           HB3      ALA  74 -12.228  -0.060  -0.060
  559    H    GLN  75           HN       GLN  75 -15.078   2.724   2.724
  560    HA   GLN  75           HA       GLN  75 -16.077   1.995   1.995
  561   1HB   GLN  75           HB2      GLN  75 -16.952   3.567   3.567
  562   2HB   GLN  75           HB1      GLN  75 -17.853   3.801   3.801
  563   1HG   GLN  75           HG1      GLN  75 -17.875   1.187   1.187
  564   2HG   GLN  75           HG2      GLN  75 -17.514   1.294   1.294
  565   1HE2  GLN  75          HE22      GLN  75 -20.854   2.018   2.018
  566   2HE2  GLN  75          HE21      GLN  75 -19.331   1.461   1.461
  567    H    GLN  76           HN       GLN  76 -14.605   4.923   4.923
  568    HA   GLN  76           HA       GLN  76 -15.324   6.651   6.651
  569   1HB   GLN  76           HB1      GLN  76 -14.520   7.076   7.076
  570   2HB   GLN  76           HB2      GLN  76 -12.922   7.053   7.053
  571   1HG   GLN  76           HG1      GLN  76 -15.063   8.694   8.694
  572   2HG   GLN  76           HG2      GLN  76 -14.311   9.312   9.312
  573   1HE2  GLN  76          HE22      GLN  76 -12.155  10.594  10.594
  574   2HE2  GLN  76          HE21      GLN  76 -13.687  10.911  10.911
  575    H    TYR  77           HN       TYR  77 -12.429   4.778   4.778
  576    HA   TYR  77           HA       TYR  77 -10.902   5.608   5.608
  577   1HB   TYR  77           HB2      TYR  77 -10.679   3.763   3.763
  578   2HB   TYR  77           HB1      TYR  77  -9.710   3.339   3.339
  579    HD1  TYR  77           HD1      TYR  77 -10.717   6.630   6.630
  580    HD2  TYR  77           HD2      TYR  77  -7.503   4.027   4.027
  581    HE1  TYR  77           HE1      TYR  77  -9.077   8.391   8.391
  582    HE2  TYR  77           HE2      TYR  77  -5.862   5.789   5.789
  583    HH   TYR  77           HH       TYR  77  -5.760   8.183   8.183
  584    H    GLY  78           HN       GLY  78 -13.267   3.128   3.128
  585   1HA   GLY  78           HA1      GLY  78 -14.313   1.649   1.649
  586   2HA   GLY  78           HA2      GLY  78 -13.348   2.364   2.364
  587    H    VAL  79           HN       VAL  79 -12.443   0.641   0.641
  588    HA   VAL  79           HA       VAL  79 -10.168  -0.671  -0.671
  589    HB   VAL  79           HB       VAL  79 -10.596  -2.232  -2.232
  590   1HG1  VAL  79          HG23      VAL  79 -10.576   0.661   0.661
  591   2HG1  VAL  79          HG22      VAL  79 -11.454  -0.005  -0.005
  592   3HG1  VAL  79          HG21      VAL  79  -9.789  -0.498  -0.498
  593   1HG2  VAL  79          HG11      VAL  79 -13.098  -2.349  -2.349
  594   2HG2  VAL  79          HG13      VAL  79 -12.672  -2.224  -2.224
  595   3HG2  VAL  79          HG12      VAL  79 -13.244  -0.802  -0.802
  596    H    ARG  80           HN       ARG  80  -9.982  -3.082  -3.082
  597    HA   ARG  80           HA       ARG  80 -12.320  -4.020  -4.020
  598   1HB   ARG  80           HB2      ARG  80  -9.391  -3.770  -3.770
  599   2HB   ARG  80           HB1      ARG  80 -10.187  -5.189  -5.189
  600   1HG   ARG  80           HG2      ARG  80 -11.115  -2.328  -2.328
  601   2HG   ARG  80           HG1      ARG  80 -10.184  -3.256  -3.256
  602   1HD   ARG  80           HD2      ARG  80 -12.067  -5.020  -5.020
  603   2HD   ARG  80           HD1      ARG  80 -13.016  -3.739  -3.739
  604    HE   ARG  80           HE       ARG  80 -11.879  -2.543  -2.543
  605   1HH1  ARG  80          HH21      ARG  80 -12.095  -4.815  -4.815
  606   2HH1  ARG  80          HH22      ARG  80 -13.765  -4.901  -4.901
  607   1HH2  ARG  80          HH11      ARG  80 -14.844  -2.815  -2.815
  608   2HH2  ARG  80          HH12      ARG  80 -15.319  -3.770  -3.770
  609    H    GLY  81           HN       GLY  81 -12.064  -4.749  -4.749
  610   1HA   GLY  81           HA2      GLY  81 -12.549  -6.924  -6.924
  611   2HA   GLY  81           HA1      GLY  81 -11.581  -7.666  -7.666
  612    H    TYR  82           HN       TYR  82 -11.205  -8.266  -8.266
  613    HA   TYR  82           HA       TYR  82  -8.691  -6.825  -6.825
  614   1HB   TYR  82           HB2      TYR  82 -10.333  -8.820  -8.820
  615   2HB   TYR  82           HB1      TYR  82  -9.132  -7.693  -7.693
  616    HD1  TYR  82           HD1      TYR  82  -9.816  -5.209  -5.209
  617    HD2  TYR  82           HD2      TYR  82 -12.366  -8.153  -8.153
  618    HE1  TYR  82           HE1      TYR  82 -11.592  -3.501  -3.501
  619    HE2  TYR  82           HE2      TYR  82 -14.141  -6.445  -6.445
  620    HH   TYR  82           HH       TYR  82 -14.657  -4.272  -4.272
  621    HA   PRO  83           HA       PRO  83  -7.280  -7.436  -7.436
  622   1HB   PRO  83           HB2      PRO  83  -4.560  -7.668  -7.668
  623   2HB   PRO  83           HB1      PRO  83  -5.601  -8.726  -8.726
  624   1HG   PRO  83           HG2      PRO  83  -4.195  -9.266  -9.266
  625   2HG   PRO  83           HG1      PRO  83  -4.601 -10.365 -10.365
  626   1HD   PRO  83           HD1      PRO  83  -5.960 -10.146 -10.146
  627   2HD   PRO  83           HD2      PRO  83  -6.562 -10.948 -10.948
  628    H    THR  84           HN       THR  84  -6.567  -5.273  -5.273
  629    HA   THR  84           HA       THR  84  -5.500  -4.691  -4.691
  630    HB   THR  84           HB       THR  84  -7.309  -2.836  -2.836
  631    HG1  THR  84           HG1      THR  84  -9.028  -3.954  -3.954
  632   1HG2  THR  84          HG23      THR  84  -6.072  -2.395  -2.395
  633   2HG2  THR  84          HG22      THR  84  -7.335  -3.418  -3.418
  634   3HG2  THR  84          HG21      THR  84  -7.765  -1.930  -1.930
  635    H    ILE  85           HN       ILE  85  -3.363  -4.169  -4.169
  636    HA   ILE  85           HA       ILE  85  -2.777  -2.516  -2.516
  637    HB   ILE  85           HB       ILE  85  -1.046  -3.867  -3.867
  638   1HG1  ILE  85          HG11      ILE  85  -0.553  -5.294  -5.294
  639   2HG1  ILE  85          HG12      ILE  85  -2.104  -4.661  -4.661
  640   1HG2  ILE  85          HG21      ILE  85  -0.363  -2.457  -2.457
  641   2HG2  ILE  85          HG23      ILE  85   0.758  -3.511  -3.511
  642   3HG2  ILE  85          HG22      ILE  85   0.181  -2.027  -2.027
  643   1HD1  ILE  85          HD11      ILE  85  -2.078  -5.678  -5.678
  644   2HD1  ILE  85          HD13      ILE  85  -1.840  -6.902  -6.902
  645   3HD1  ILE  85          HD12      ILE  85  -3.287  -5.895  -5.895
  646    H    LYS  86           HN       LYS  86  -1.869  -0.428  -0.428
  647    HA   LYS  86           HA       LYS  86  -1.451   0.738   0.738
  648   1HB   LYS  86           HB2      LYS  86  -3.820   1.013   1.013
  649   2HB   LYS  86           HB1      LYS  86  -2.934   2.462   2.462
  650   1HG   LYS  86           HG1      LYS  86  -3.223   3.398   3.398
  651   2HG   LYS  86           HG2      LYS  86  -2.642   1.945   1.945
  652   1HD   LYS  86           HD2      LYS  86  -5.089   1.099   1.099
  653   2HD   LYS  86           HD1      LYS  86  -5.415   2.810   2.810
  654   1HE   LYS  86           HE2      LYS  86  -4.791   2.661   2.661
  655   2HE   LYS  86           HE1      LYS  86  -3.986   1.099   1.099
  656   1HZ   LYS  86           HZ1      LYS  86  -6.874   1.555   1.555
  657   2HZ   LYS  86           HZ3      LYS  86  -6.296   0.966   0.966
  658   3HZ   LYS  86           HZ2      LYS  86  -6.056   0.066   0.066
  659    H    PHE  87           HN       PHE  87   0.071   2.445   2.445
  660    HA   PHE  87           HA       PHE  87   1.363   2.984   2.984
  661   1HB   PHE  87           HB2      PHE  87   2.731   1.638   1.638
  662   2HB   PHE  87           HB1      PHE  87   2.494   2.802   2.802
  663    HD1  PHE  87           HD1      PHE  87   3.115   3.575   3.575
  664    HD2  PHE  87           HD2      PHE  87   4.724   3.540   3.540
  665    HE1  PHE  87           HE1      PHE  87   5.085   4.867   4.867
  666    HE2  PHE  87           HE2      PHE  87   6.690   4.831   4.831
  667    HZ   PHE  87           HZ       PHE  87   6.870   5.493   5.493
  668    H    PHE  88           HN       PHE  88   1.240   5.091   5.091
  669    HA   PHE  88           HA       PHE  88   0.598   7.166   7.166
  670   1HB   PHE  88           HB2      PHE  88   0.163   6.864   6.864
  671   2HB   PHE  88           HB1      PHE  88  -0.090   8.399   8.399
  672    HD1  PHE  88           HD2      PHE  88  -1.245   7.697   7.697
  673    HD2  PHE  88           HD1      PHE  88  -1.918   5.916   5.916
  674    HE1  PHE  88           HE2      PHE  88  -3.473   6.913   6.913
  675    HE2  PHE  88           HE1      PHE  88  -4.144   5.131   5.131
  676    HZ   PHE  88           HZ       PHE  88  -4.925   5.631   5.631
  677    H    ARG  89           HN       ARG  89   1.929   8.993   8.993
  678    HA   ARG  89           HA       ARG  89   4.475   8.920   8.920
  679   1HB   ARG  89           HB1      ARG  89   4.023   8.786   8.786
  680   2HB   ARG  89           HB2      ARG  89   4.346  10.503  10.503
  681   1HG   ARG  89           HG2      ARG  89   6.545  10.105  10.105
  682   2HG   ARG  89           HG1      ARG  89   6.206   8.921   8.921
  683   1HD   ARG  89           HD2      ARG  89   7.234   7.568   7.568
  684   2HD   ARG  89           HD1      ARG  89   5.531   7.400   7.400
  685    HE   ARG  89           HE       ARG  89   6.010   9.424   9.424
  686   1HH1  ARG  89          HH21      ARG  89   8.477  10.328  10.328
  687   2HH1  ARG  89          HH22      ARG  89   9.457   9.182   9.182
  688   1HH2  ARG  89          HH11      ARG  89   7.232   6.557   6.557
  689   2HH2  ARG  89          HH12      ARG  89   8.752   7.046   7.046
  690    H    ASN  90           HN       ASN  90   3.893  10.313  10.313
  691    HA   ASN  90           HA       ASN  90   3.430  12.370  12.370
  692   1HB   ASN  90           HB2      ASN  90   5.454  12.852  12.852
  693   2HB   ASN  90           HB1      ASN  90   4.395  13.384  13.384
  694   1HD2  ASN  90          HD22      ASN  90   3.930  16.583  16.583
  695   2HD2  ASN  90          HD21      ASN  90   3.747  15.558  15.558
  696    H    GLY  91           HN       GLY  91   1.166  11.142  11.142
  697   1HA   GLY  91           HA2      GLY  91  -1.057  11.763  11.763
  698   2HA   GLY  91           HA1      GLY  91  -0.593  13.436  13.436
  699    H    ASP  92           HN       ASP  92  -1.217  11.074  11.074
  700    HA   ASP  92           HA       ASP  92  -0.213  12.907  12.907
  701   1HB   ASP  92           HB1      ASP  92   0.395  10.385  10.385
  702   2HB   ASP  92           HB2      ASP  92  -1.221  10.087  10.087
  703    H    THR  93           HN       THR  93  -3.035  10.844  10.844
  704    HA   THR  93           HA       THR  93  -5.279  10.965  10.965
  705    HB   THR  93           HB       THR  93  -6.228  13.154  13.154
  706    HG1  THR  93           HG1      THR  93  -5.132  14.883  14.883
  707   1HG2  THR  93          HG22      THR  93  -5.057  11.662  11.662
  708   2HG2  THR  93          HG21      THR  93  -3.880  12.976  12.976
  709   3HG2  THR  93          HG23      THR  93  -5.574  13.294  13.294
  710    H    ALA  94           HN       ALA  94  -3.877  10.508  10.508
  711    HA   ALA  94           HA       ALA  94  -5.385  11.832  11.832
  712   1HB   ALA  94           HB1      ALA  94  -2.748  12.895  12.895
  713   2HB   ALA  94           HB3      ALA  94  -3.004  12.779  12.779
  714   3HB   ALA  94           HB2      ALA  94  -4.105  13.736  13.736
  715    H    SER  95           HN       SER  95  -2.118  10.464  10.464
  716    HA   SER  95           HA       SER  95  -2.828   8.199   8.199
  717   1HB   SER  95           HB1      SER  95  -1.383  10.552  10.552
  718   2HB   SER  95           HB2      SER  95  -0.275   9.181   9.181
  719    HG   SER  95           HG       SER  95  -1.631   9.614   9.614
  720    HA   PRO  96           HA       PRO  96   0.012   7.216   7.216
  721   1HB   PRO  96           HB2      PRO  96  -1.495   5.172   5.172
  722   2HB   PRO  96           HB1      PRO  96  -1.715   6.867   6.867
  723   1HG   PRO  96           HG2      PRO  96  -3.283   5.206   5.206
  724   2HG   PRO  96           HG1      PRO  96  -3.846   6.413   6.413
  725   1HD   PRO  96           HD1      PRO  96  -3.589   6.906   6.906
  726   2HD   PRO  96           HD2      PRO  96  -3.454   8.161   8.161
  727    H    LYS  97           HN       LYS  97   1.025   4.964   4.964
  728    HA   LYS  97           HA       LYS  97   1.261   3.564   3.564
  729   1HB   LYS  97           HB1      LYS  97   2.881   3.627   3.627
  730   2HB   LYS  97           HB2      LYS  97   3.292   2.618   2.618
  731   1HG   LYS  97           HG2      LYS  97   2.930   5.044   5.044
  732   2HG   LYS  97           HG1      LYS  97   3.583   5.536   5.536
  733   1HD   LYS  97           HD2      LYS  97   5.547   4.196   4.196
  734   2HD   LYS  97           HD1      LYS  97   4.853   3.376   3.376
  735   1HE   LYS  97           HE2      LYS  97   5.093   5.275   5.275
  736   2HE   LYS  97           HE1      LYS  97   5.260   6.372   6.372
  737   1HZ   LYS  97           HZ1      LYS  97   7.309   5.233   5.233
  738   2HZ   LYS  97           HZ3      LYS  97   7.164   4.211   4.211
  739   3HZ   LYS  97           HZ2      LYS  97   7.425   5.875   5.875
  740    H    GLU  98           HN       GLU  98   1.555   1.111   1.111
  741    HA   GLU  98           HA       GLU  98  -0.300   0.019   0.019
  742   1HB   GLU  98           HB2      GLU  98  -1.302   0.139   0.139
  743   2HB   GLU  98           HB1      GLU  98   0.059  -0.770  -0.770
  744   1HG   GLU  98           HG1      GLU  98  -0.654  -2.760  -2.760
  745   2HG   GLU  98           HG2      GLU  98  -1.376  -1.984  -1.984
  746    H    TYR  99           HN       TYR  99   0.376  -1.917  -1.917
  747    HA   TYR  99           HA       TYR  99   3.209  -2.603  -2.603
  748   1HB   TYR  99           HB2      TYR  99   1.147  -2.762  -2.762
  749   2HB   TYR  99           HB1      TYR  99   1.540  -4.440  -4.440
  750    HD1  TYR  99           HD2      TYR  99   4.177  -4.901  -4.901
  751    HD2  TYR  99           HD1      TYR  99   2.400  -1.713  -1.713
  752    HE1  TYR  99           HE2      TYR  99   6.238  -4.726  -4.726
  753    HE2  TYR  99           HE1      TYR  99   4.460  -1.538  -1.538
  754    HH   TYR  99           HH       TYR  99   6.368  -3.025  -3.025
  755    H    THR 100           HN       THR 100   3.973  -4.045  -4.045
  756    HA   THR 100           HA       THR 100   2.081  -5.895  -5.895
  757    HB   THR 100           HB       THR 100   4.160  -6.212  -6.212
  758    HG1  THR 100           HG1      THR 100   5.597  -5.525  -5.525
  759   1HG2  THR 100          HG22      THR 100   2.987  -3.455  -3.455
  760   2HG2  THR 100          HG21      THR 100   3.998  -3.879  -3.879
  761   3HG2  THR 100          HG23      THR 100   2.443  -4.679  -4.679
  762    H    ALA 101           HN       ALA 101   3.281  -6.215  -6.215
  763    HA   ALA 101           HA       ALA 101   4.580  -8.885  -8.885
  764   1HB   ALA 101           HB1      ALA 101   5.359  -6.561  -6.561
  765   2HB   ALA 101           HB3      ALA 101   4.927  -7.754  -7.754
  766   3HB   ALA 101           HB2      ALA 101   6.157  -8.132  -8.132
  767    H    GLY 102           HN       GLY 102   4.307  -9.589  -9.589
  768   1HA   GLY 102           HA2      GLY 102   2.196  -9.626  -9.626
  769   2HA   GLY 102           HA1      GLY 102   1.380 -10.175 -10.175
  770    H    ARG 103           HN       ARG 103   4.317 -11.007 -11.007
  771    HA   ARG 103           HA       ARG 103   3.463 -13.861 -13.861
  772   1HB   ARG 103           HB1      ARG 103   5.400 -12.676 -12.676
  773   2HB   ARG 103           HB2      ARG 103   6.308 -13.575 -13.575
  774   1HG   ARG 103           HG2      ARG 103   4.530 -15.460 -15.460
  775   2HG   ARG 103           HG1      ARG 103   4.336 -14.584 -14.584
  776   1HD   ARG 103           HD2      ARG 103   6.892 -14.694 -14.694
  777   2HD   ARG 103           HD1      ARG 103   6.844 -15.889 -15.889
  778    HE   ARG 103           HE       ARG 103   4.993 -16.335 -16.335
  779   1HH1  ARG 103          HH21      ARG 103   6.002 -18.323 -18.323
  780   2HH1  ARG 103          HH22      ARG 103   7.043 -19.316 -19.316
  781   1HH2  ARG 103          HH11      ARG 103   7.167 -17.078 -17.078
  782   2HH2  ARG 103          HH12      ARG 103   7.703 -18.611 -18.611
  783    H    GLU 104           HN       GLU 104   5.820 -11.492 -11.492
  784    HA   GLU 104           HA       GLU 104   5.505 -12.496 -12.496
  785   1HB   GLU 104           HB2      GLU 104   7.891 -13.262 -13.262
  786   2HB   GLU 104           HB1      GLU 104   6.916 -14.241 -14.241
  787   1HG   GLU 104           HG1      GLU 104   7.751 -12.819 -12.819
  788   2HG   GLU 104           HG2      GLU 104   8.834 -12.020 -12.020
  789    H    ALA 105           HN       ALA 105   7.245 -11.382 -11.382
  790    HA   ALA 105           HA       ALA 105   7.072  -8.591  -8.591
  791   1HB   ALA 105           HB1      ALA 105   7.737  -9.998  -9.998
  792   2HB   ALA 105           HB3      ALA 105   9.315 -10.236 -10.236
  793   3HB   ALA 105           HB2      ALA 105   8.809  -8.621  -8.621
  794    H    ASP 106           HN       ASP 106   9.646 -10.731 -10.731
  795    HA   ASP 106           HA       ASP 106  11.550  -8.826  -8.826
  796   1HB   ASP 106           HB2      ASP 106  10.583 -11.334 -11.334
  797   2HB   ASP 106           HB1      ASP 106  12.119 -10.528 -10.528
  798    H    ASP 107           HN       ASP 107   8.753 -10.003 -10.003
  799    HA   ASP 107           HA       ASP 107   9.070  -8.398  -8.398
  800   1HB   ASP 107           HB2      ASP 107   6.904  -9.835  -9.835
  801   2HB   ASP 107           HB1      ASP 107   6.381  -8.650  -8.650
  802    H    ILE 108           HN       ILE 108   7.942  -7.571  -7.571
  803    HA   ILE 108           HA       ILE 108   6.672  -5.050  -5.050
  804    HB   ILE 108           HB       ILE 108   7.616  -6.075  -6.075
  805   1HG1  ILE 108          HG12      ILE 108   6.126  -7.690  -7.690
  806   2HG1  ILE 108          HG11      ILE 108   5.342  -6.974  -6.974
  807   1HG2  ILE 108          HG23      ILE 108   5.691  -3.922  -3.922
  808   2HG2  ILE 108          HG22      ILE 108   5.616  -4.629  -4.629
  809   3HG2  ILE 108          HG21      ILE 108   7.067  -3.774  -3.774
  810   1HD1  ILE 108          HD12      ILE 108   4.849  -5.284  -5.284
  811   2HD1  ILE 108          HD11      ILE 108   4.447  -6.943  -6.943
  812   3HD1  ILE 108          HD13      ILE 108   3.683  -6.198  -6.198
  813    H    VAL 109           HN       VAL 109   9.757  -6.022  -6.022
  814    HA   VAL 109           HA       VAL 109  10.728  -3.287  -3.287
  815    HB   VAL 109           HB       VAL 109  12.087  -6.003  -6.003
  816   1HG1  VAL 109          HG22      VAL 109  13.017  -3.271  -3.271
  817   2HG1  VAL 109          HG21      VAL 109  13.856  -4.787  -4.787
  818   3HG1  VAL 109          HG23      VAL 109  13.702  -4.205  -4.205
  819   1HG2  VAL 109          HG12      VAL 109  10.743  -4.265  -4.265
  820   2HG2  VAL 109          HG11      VAL 109  10.519  -5.987  -5.987
  821   3HG2  VAL 109          HG13      VAL 109  11.998  -5.412  -5.412
  822    H    ASN 110           HN       ASN 110  11.045  -5.900  -5.900
  823    HA   ASN 110           HA       ASN 110  13.154  -4.916  -4.916
  824   1HB   ASN 110           HB2      ASN 110  11.486  -7.041  -7.041
  825   2HB   ASN 110           HB1      ASN 110  10.755  -6.116  -6.116
  826   1HD2  ASN 110          HD22      ASN 110  14.006  -8.249  -8.249
  827   2HD2  ASN 110          HD21      ASN 110  12.973  -8.512  -8.512
  828    H    TRP 111           HN       TRP 111   9.660  -4.245  -4.245
  829    HA   TRP 111           HA       TRP 111   9.905  -2.368  -2.368
  830   1HB   TRP 111           HB2      TRP 111   7.905  -3.749  -3.749
  831   2HB   TRP 111           HB1      TRP 111   7.630  -2.095  -2.095
  832    HD1  TRP 111           HD1      TRP 111   7.329  -4.333  -4.333
  833    HE1  TRP 111           HE1      TRP 111   6.299  -3.018  -3.018
  834    HE3  TRP 111           HE3      TRP 111   7.515   0.397   0.397
  835    HZ2  TRP 111           HZ2      TRP 111   5.640  -0.313  -0.313
  836    HZ3  TRP 111           HZ3      TRP 111   6.680   2.322   2.322
  837    HH2  TRP 111           HH2      TRP 111   5.745   1.973   1.973
  838    H    LEU 112           HN       LEU 112   9.914  -2.127  -2.127
  839    HA   LEU 112           HA       LEU 112   9.773   0.773   0.773
  840   1HB   LEU 112           HB1      LEU 112  10.155  -1.548  -1.548
  841   2HB   LEU 112           HB2      LEU 112  10.900  -0.050  -0.050
  842    HG   LEU 112           HG       LEU 112   8.582  -0.244  -0.244
  843   1HD1  LEU 112          HD22      LEU 112   9.701   1.972   1.972
  844   2HD1  LEU 112          HD21      LEU 112   8.500   1.861   1.861
  845   3HD1  LEU 112          HD23      LEU 112   7.983   1.967   1.967
  846   1HD2  LEU 112          HD11      LEU 112   8.019  -0.552  -0.552
  847   2HD2  LEU 112          HD13      LEU 112   7.461  -1.555  -1.555
  848   3HD2  LEU 112          HD12      LEU 112   6.781   0.055   0.055
  849    H    LYS 113           HN       LYS 113  12.399  -1.618  -1.618
  850    HA   LYS 113           HA       LYS 113  14.567   0.139   0.139
  851   1HB   LYS 113           HB2      LYS 113  14.107  -2.545  -2.545
  852   2HB   LYS 113           HB1      LYS 113  15.247  -1.899  -1.899
  853   1HG   LYS 113           HG2      LYS 113  16.860  -1.419  -1.419
  854   2HG   LYS 113           HG1      LYS 113  15.673  -1.354  -1.354
  855   1HD   LYS 113           HD2      LYS 113  15.352  -3.927  -3.927
  856   2HD   LYS 113           HD1      LYS 113  17.055  -3.699  -3.699
  857   1HE   LYS 113           HE2      LYS 113  15.817  -3.073  -3.073
  858   2HE   LYS 113           HE1      LYS 113  16.787  -4.511  -4.511
  859   1HZ   LYS 113           HZ3      LYS 113  18.549  -2.987  -2.987
  860   2HZ   LYS 113           HZ2      LYS 113  17.643  -1.675  -1.675
  861   3HZ   LYS 113           HZ1      LYS 113  18.247  -2.842  -2.842
  862    H    LYS 114           HN       LYS 114  12.853  -0.511  -0.511
  863    HA   LYS 114           HA       LYS 114  14.646   0.640   0.640
  864   1HB   LYS 114           HB2      LYS 114  12.565  -0.634  -0.634
  865   2HB   LYS 114           HB1      LYS 114  11.612   0.738   0.738
  866   1HG   LYS 114           HG2      LYS 114  11.736   0.885   0.885
  867   2HG   LYS 114           HG1      LYS 114  12.763   2.155   2.155
  868   1HD   LYS 114           HD2      LYS 114  14.752   0.779   0.779
  869   2HD   LYS 114           HD1      LYS 114  13.757  -0.562  -0.562
  870   1HE   LYS 114           HE2      LYS 114  13.486   2.088   2.088
  871   2HE   LYS 114           HE1      LYS 114  14.888   1.067   1.067
  872   1HZ   LYS 114           HZ2      LYS 114  13.275  -0.816  -0.816
  873   2HZ   LYS 114           HZ1      LYS 114  12.019   0.327   0.327
  874   3HZ   LYS 114           HZ3      LYS 114  13.147   0.371   0.371
  875    H    ARG 115           HN       ARG 115  12.722   2.164   2.164
  876    HA   ARG 115           HA       ARG 115  13.096   4.849   4.849
  877   1HB   ARG 115           HB2      ARG 115  10.844   4.144   4.144
  878   2HB   ARG 115           HB1      ARG 115  11.467   3.896   3.896
  879   1HG   ARG 115           HG2      ARG 115  10.375   6.084   6.084
  880   2HG   ARG 115           HG1      ARG 115  12.108   6.294   6.294
  881   1HD   ARG 115           HD2      ARG 115  11.562   6.109   6.109
  882   2HD   ARG 115           HD1      ARG 115  10.560   7.380   7.380
  883    HE   ARG 115           HE       ARG 115  13.158   7.600   7.600
  884   1HH1  ARG 115          HH11      ARG 115  11.139   8.842   8.842
  885   2HH1  ARG 115          HH12      ARG 115  12.391   9.620   9.620
  886   1HH2  ARG 115          HH21      ARG 115  14.969   8.204   8.204
  887   2HH2  ARG 115          HH22      ARG 115  14.559   9.259   9.259
  888    H    THR 116           HN       THR 116  14.071   2.867   2.867
  889    HA   THR 116           HA       THR 116  15.598   5.181   5.181
  890    HB   THR 116           HB       THR 116  15.645   3.650   3.650
  891    HG1  THR 116           HG1      THR 116  14.286   1.871   1.871
  892   1HG2  THR 116          HG21      THR 116  12.961   4.421   4.421
  893   2HG2  THR 116          HG23      THR 116  13.222   3.981   3.981
  894   3HG2  THR 116          HG22      THR 116  13.988   5.425   5.425
  895    H    GLY 117           HN       GLY 117  16.068   1.637   1.637
  896   1HA   GLY 117           HA2      GLY 117  17.977   0.346   0.346
  897   2HA   GLY 117           HA1      GLY 117  18.398   1.568   1.568
  898    HA   PRO 118           HA       PRO 118  21.107   1.850   1.850
  899   1HB   PRO 118           HB2      PRO 118  23.355   0.576   0.576
  900   2HB   PRO 118           HB1      PRO 118  22.056  -0.252  -0.252
  901   1HG   PRO 118           HG2      PRO 118  22.664  -0.219  -0.219
  902   2HG   PRO 118           HG1      PRO 118  22.017  -1.523  -1.523
  903   1HD   PRO 118           HD2      PRO 118  20.506   0.044   0.044
  904   2HD   PRO 118           HD1      PRO 118  19.866  -0.844  -0.844
  905    H    ALA 119           HN       ALA 119  22.566   1.682   1.682
  906    HA   ALA 119           HA       ALA 119  23.885   3.264   3.264
  907   1HB   ALA 119           HB2      ALA 119  21.460   4.357   4.357
  908   2HB   ALA 119           HB1      ALA 119  22.670   5.582   5.582
  909   3HB   ALA 119           HB3      ALA 119  22.489   5.000   5.000
  910    H    ALA 120           HN       ALA 120  24.808   2.380   2.380
  911    HA   ALA 120           HA       ALA 120  25.887   4.600   4.600
  912   1HB   ALA 120           HB3      ALA 120  25.626   1.928   1.928
  913   2HB   ALA 120           HB2      ALA 120  27.332   2.000   2.000
  914   3HB   ALA 120           HB1      ALA 120  26.744   2.908   2.908

  Start of MODEL    2
    1   1H    ASP   1           HT3      ASP   1  -8.960  10.353  10.353
    2   2H    ASP   1           HT2      ASP   1  -9.463  10.514  10.514
    3   3H    ASP   1           HT1      ASP   1  -9.531  11.847  11.847
    4    HA   ASP   1           HA       ASP   1  -7.147  11.969  11.969
    5   1HB   ASP   1           HB2      ASP   1  -8.033  11.557  11.557
    6   2HB   ASP   1           HB1      ASP   1  -8.557  12.935  12.935
    7    H    ALA   2           HN       ALA   2  -5.073  11.112  11.112
    8    HA   ALA   2           HA       ALA   2  -3.567   9.329   9.329
    9   1HB   ALA   2           HB1      ALA   2  -5.536   9.408   9.408
   10   2HB   ALA   2           HB3      ALA   2  -5.398   7.706   7.706
   11   3HB   ALA   2           HB2      ALA   2  -3.973   8.598   8.598
   12    HA   PRO   3           HA       PRO   3  -5.414   6.675   6.675
   13   1HB   PRO   3           HB1      PRO   3  -3.040   6.086   6.086
   14   2HB   PRO   3           HB2      PRO   3  -3.957   7.568   7.568
   15   1HG   PRO   3           HG2      PRO   3  -1.558   7.152   7.152
   16   2HG   PRO   3           HG1      PRO   3  -1.970   8.516   8.516
   17   1HD   PRO   3           HD2      PRO   3  -2.269   8.545   8.545
   18   2HD   PRO   3           HD1      PRO   3  -3.234   9.537   9.537
   19    H    GLU   4           HN       GLU   4  -4.878   4.318   4.318
   20    HA   GLU   4           HA       GLU   4  -3.516   2.956   2.956
   21   1HB   GLU   4           HB1      GLU   4  -6.166   3.060   3.060
   22   2HB   GLU   4           HB2      GLU   4  -5.841   1.728   1.728
   23   1HG   GLU   4           HG1      GLU   4  -4.740   1.780   1.780
   24   2HG   GLU   4           HG2      GLU   4  -6.318   1.086   1.086
   25    H    GLU   5           HN       GLU   5  -2.856   0.674   0.674
   26    HA   GLU   5           HA       GLU   5  -2.233   0.402   0.402
   27   1HB   GLU   5           HB2      GLU   5  -0.519   0.201   0.201
   28   2HB   GLU   5           HB1      GLU   5  -0.063  -0.669  -0.669
   29   1HG   GLU   5           HG2      GLU   5  -0.098   1.435   1.435
   30   2HG   GLU   5           HG1      GLU   5  -0.598   2.314   2.314
   31    H    GLU   6           HN       GLU   6  -1.839  -1.892  -1.892
   32    HA   GLU   6           HA       GLU   6  -3.368  -3.787  -3.787
   33   1HB   GLU   6           HB1      GLU   6  -3.262  -3.168  -3.168
   34   2HB   GLU   6           HB2      GLU   6  -3.355  -4.885  -4.885
   35   1HG   GLU   6           HG2      GLU   6  -5.204  -3.838  -3.838
   36   2HG   GLU   6           HG1      GLU   6  -5.380  -2.763  -2.763
   37    H    ASP   7           HN       ASP   7  -1.297  -4.522  -4.522
   38    HA   ASP   7           HA       ASP   7   0.431  -6.157  -6.157
   39   1HB   ASP   7           HB2      ASP   7  -0.315  -6.506  -6.506
   40   2HB   ASP   7           HB1      ASP   7   0.712  -7.602  -7.602
   41    H    HIS   8           HN       HIS   8   1.912  -4.365  -4.365
   42    HA   HIS   8           HA       HIS   8   3.837  -3.102  -3.102
   43   1HB   HIS   8           HB2      HIS   8   3.806  -5.420  -5.420
   44   2HB   HIS   8           HB1      HIS   8   4.970  -4.137  -4.137
   45    HD1  HIS   8           HD1      HIS   8   5.520  -7.126  -7.126
   46    HD2  HIS   8           HD2      HIS   8   5.589  -3.520  -3.520
   47    HE1  HIS   8           HE1      HIS   8   6.957  -7.513  -7.513
   48    H    VAL   9           HN       VAL   9   1.089  -2.641  -2.641
   49    HA   VAL   9           HA       VAL   9   2.186  -0.548  -0.548
   50    HB   VAL   9           HB       VAL   9   0.535  -1.333  -1.333
   51   1HG1  VAL   9          HG21      VAL   9   3.027  -2.254  -2.254
   52   2HG1  VAL   9          HG23      VAL   9   2.135  -3.765  -3.765
   53   3HG1  VAL   9          HG22      VAL   9   2.017  -2.849  -2.849
   54   1HG2  VAL   9          HG12      VAL   9  -0.418  -2.849  -2.849
   55   2HG2  VAL   9          HG11      VAL   9  -1.067  -2.793  -2.793
   56   3HG2  VAL   9          HG13      VAL   9   0.155  -3.992  -3.992
   57    H    LEU  10           HN       LEU  10   0.203   0.868   0.868
   58    HA   LEU  10           HA       LEU  10  -1.586   1.213   1.213
   59   1HB   LEU  10           HB2      LEU  10  -1.603   3.584   3.584
   60   2HB   LEU  10           HB1      LEU  10   0.054   3.010   3.010
   61    HG   LEU  10           HG       LEU  10  -0.853   2.502   2.502
   62   1HD1  LEU  10          HD22      LEU  10  -1.747   5.014   5.014
   63   2HD1  LEU  10          HD21      LEU  10  -0.690   5.277   5.277
   64   3HD1  LEU  10          HD23      LEU  10  -2.155   4.311   4.311
   65   1HD2  LEU  10          HD11      LEU  10   1.501   2.764   2.764
   66   2HD2  LEU  10          HD13      LEU  10   1.177   3.660   3.660
   67   3HD2  LEU  10          HD12      LEU  10   1.197   4.500   4.500
   68    H    VAL  11           HN       VAL  11  -3.767   2.193   2.193
   69    HA   VAL  11           HA       VAL  11  -4.778   1.008   1.008
   70    HB   VAL  11           HB       VAL  11  -6.954   0.942   0.942
   71   1HG1  VAL  11          HG11      VAL  11  -4.481  -0.499  -0.499
   72   2HG1  VAL  11          HG13      VAL  11  -6.044  -0.828  -0.828
   73   3HG1  VAL  11          HG12      VAL  11  -5.814  -1.112  -1.112
   74   1HG2  VAL  11          HG23      VAL  11  -5.615   2.694   2.694
   75   2HG2  VAL  11          HG22      VAL  11  -7.154   1.901   1.901
   76   3HG2  VAL  11          HG21      VAL  11  -5.649   1.178   1.178
   77    H    LEU  12           HN       LEU  12  -6.149   2.318   2.318
   78    HA   LEU  12           HA       LEU  12  -6.030   5.234   5.234
   79   1HB   LEU  12           HB2      LEU  12  -6.462   3.624   3.624
   80   2HB   LEU  12           HB1      LEU  12  -6.573   5.384   5.384
   81    HG   LEU  12           HG       LEU  12  -4.147   3.738   3.738
   82   1HD1  LEU  12          HD22      LEU  12  -5.021   5.095   5.095
   83   2HD1  LEU  12          HD21      LEU  12  -3.340   5.349   5.349
   84   3HD1  LEU  12          HD23      LEU  12  -3.945   3.714   3.714
   85   1HD2  LEU  12          HD13      LEU  12  -4.911   6.587   6.587
   86   2HD2  LEU  12          HD12      LEU  12  -3.802   5.599   5.599
   87   3HD2  LEU  12          HD11      LEU  12  -3.273   6.292   6.292
   88    H    ARG  13           HN       ARG  13  -8.030   6.475   6.475
   89    HA   ARG  13           HA       ARG  13 -10.561   4.930   4.930
   90   1HB   ARG  13           HB2      ARG  13  -9.531   7.122   7.122
   91   2HB   ARG  13           HB1      ARG  13 -11.255   6.772   6.772
   92   1HG   ARG  13           HG2      ARG  13 -10.474   4.284   4.284
   93   2HG   ARG  13           HG1      ARG  13  -9.042   5.053   5.053
   94   1HD   ARG  13           HD2      ARG  13 -10.173   5.521   5.521
   95   2HD   ARG  13           HD1      ARG  13 -11.422   6.378   6.378
   96    HE   ARG  13           HE       ARG  13 -11.890   3.664   3.664
   97   1HH1  ARG  13          HH21      ARG  13 -10.769   3.712   3.712
   98   2HH1  ARG  13          HH22      ARG  13 -12.256   3.684   3.684
   99   1HH2  ARG  13          HH11      ARG  13 -14.214   4.499   4.499
  100   2HH2  ARG  13          HH12      ARG  13 -14.207   4.129   4.129
  101    H    LYS  14           HN       LYS  14 -12.372   6.951   6.951
  102    HA   LYS  14           HA       LYS  14 -12.336   7.950   7.950
  103   1HB   LYS  14           HB2      LYS  14 -14.141   7.623   7.623
  104   2HB   LYS  14           HB1      LYS  14 -13.968   9.378   9.378
  105   1HG   LYS  14           HG2      LYS  14 -14.151   8.272   8.272
  106   2HG   LYS  14           HG1      LYS  14 -15.552   7.827   7.827
  107   1HD   LYS  14           HD2      LYS  14 -14.716  10.629  10.629
  108   2HD   LYS  14           HD1      LYS  14 -15.242  10.235  10.235
  109   1HE   LYS  14           HE2      LYS  14 -17.344  10.598  10.598
  110   2HE   LYS  14           HE1      LYS  14 -17.160   8.970   8.970
  111   1HZ   LYS  14           HZ2      LYS  14 -15.987  10.050  10.050
  112   2HZ   LYS  14           HZ1      LYS  14 -16.481  11.556  11.556
  113   3HZ   LYS  14           HZ3      LYS  14 -17.640  10.427  10.427
  114    H    SER  15           HN       SER  15 -11.416   9.427   9.427
  115    HA   SER  15           HA       SER  15 -10.598  11.901  11.901
  116   1HB   SER  15           HB2      SER  15 -11.630  11.253  11.253
  117   2HB   SER  15           HB1      SER  15 -10.571  12.653  12.653
  118    HG   SER  15           HG       SER  15 -13.038  12.143  12.143
  119    H    ASN  16           HN       ASN  16  -9.219   9.091   9.091
  120    HA   ASN  16           HA       ASN  16  -6.728  10.455  10.455
  121   1HB   ASN  16           HB2      ASN  16  -7.863   8.875   8.875
  122   2HB   ASN  16           HB1      ASN  16  -7.716   7.604   7.604
  123   1HD2  ASN  16          HD22      ASN  16  -4.787   7.070   7.070
  124   2HD2  ASN  16          HD21      ASN  16  -6.461   6.799   6.799
  125    H    PHE  17           HN       PHE  17  -8.097   8.431   8.431
  126    HA   PHE  17           HA       PHE  17  -5.781   7.122   7.122
  127   1HB   PHE  17           HB1      PHE  17  -8.197   6.813   6.813
  128   2HB   PHE  17           HB2      PHE  17  -8.077   8.308   8.308
  129    HD1  PHE  17           HD2      PHE  17  -6.097   8.451   8.451
  130    HD2  PHE  17           HD1      PHE  17  -7.601   4.781   4.781
  131    HE1  PHE  17           HE2      PHE  17  -5.100   7.196   7.196
  132    HE2  PHE  17           HE1      PHE  17  -6.608   3.525   3.525
  133    HZ   PHE  17           HZ       PHE  17  -5.315   4.739   4.739
  134    H    ALA  18           HN       ALA  18  -7.224  10.054  10.054
  135    HA   ALA  18           HA       ALA  18  -4.927  10.751  10.751
  136   1HB   ALA  18           HB1      ALA  18  -7.537  11.801  11.801
  137   2HB   ALA  18           HB3      ALA  18  -6.346  13.098  13.098
  138   3HB   ALA  18           HB2      ALA  18  -6.619  12.045  12.045
  139    H    GLU  19           HN       GLU  19  -5.783  11.413  11.413
  140    HA   GLU  19           HA       GLU  19  -3.978  13.573  13.573
  141   1HB   GLU  19           HB2      GLU  19  -5.906  12.657  12.657
  142   2HB   GLU  19           HB1      GLU  19  -4.825  11.355  11.355
  143   1HG   GLU  19           HG2      GLU  19  -4.210  14.303  14.303
  144   2HG   GLU  19           HG1      GLU  19  -4.866  13.270  13.270
  145    H    ALA  20           HN       ALA  20  -3.594  10.077  10.077
  146    HA   ALA  20           HA       ALA  20  -0.893  10.165  10.165
  147   1HB   ALA  20           HB1      ALA  20  -2.875   8.210   8.210
  148   2HB   ALA  20           HB3      ALA  20  -1.203   7.717   7.717
  149   3HB   ALA  20           HB2      ALA  20  -1.765   8.099   8.099
  150    H    LEU  21           HN       LEU  21  -2.275  10.003  10.003
  151    HA   LEU  21           HA       LEU  21   0.138   9.395   9.395
  152   1HB   LEU  21           HB2      LEU  21  -2.436  10.824  10.824
  153   2HB   LEU  21           HB1      LEU  21  -1.214  10.392  10.392
  154    HG   LEU  21           HG       LEU  21  -2.652   8.454   8.454
  155   1HD1  LEU  21          HD12      LEU  21  -3.137   9.469   9.469
  156   2HD1  LEU  21          HD11      LEU  21  -3.154   7.710   7.710
  157   3HD1  LEU  21          HD13      LEU  21  -4.246   8.683   8.683
  158   1HD2  LEU  21          HD21      LEU  21  -0.215   8.270   8.270
  159   2HD2  LEU  21          HD23      LEU  21  -0.831   7.167   7.167
  160   3HD2  LEU  21          HD22      LEU  21  -1.413   7.049   7.049
  161    H    ALA  22           HN       ALA  22  -1.392  12.486  12.486
  162    HA   ALA  22           HA       ALA  22   0.709  14.072  14.072
  163   1HB   ALA  22           HB2      ALA  22  -1.888  14.473  14.473
  164   2HB   ALA  22           HB1      ALA  22  -1.167  15.209  15.209
  165   3HB   ALA  22           HB3      ALA  22  -0.750  15.809  15.809
  166    H    ALA  23           HN       ALA  23   0.084  12.755  12.755
  167    HA   ALA  23           HA       ALA  23   1.815  14.532  14.532
  168   1HB   ALA  23           HB3      ALA  23  -0.087  12.784  12.784
  169   2HB   ALA  23           HB2      ALA  23   1.288  11.688  11.688
  170   3HB   ALA  23           HB1      ALA  23   1.217  13.150  13.150
  171    H    HIS  24           HN       HIS  24   2.306  11.064  11.064
  172    HA   HIS  24           HA       HIS  24   5.221  11.397  11.397
  173   1HB   HIS  24           HB1      HIS  24   3.302   9.113   9.113
  174   2HB   HIS  24           HB2      HIS  24   5.048   8.875   8.875
  175    HD1  HIS  24           HD1      HIS  24   6.247   8.821   8.821
  176    HD2  HIS  24           HD2      HIS  24   2.267  10.009  10.009
  177    HE1  HIS  24           HE1      HIS  24   5.736   8.893   8.893
  178    H    LYS  25           HN       LYS  25   6.481  10.007  10.007
  179    HA   LYS  25           HA       LYS  25   5.893  11.345  11.345
  180   1HB   LYS  25           HB1      LYS  25   8.170  10.150  10.150
  181   2HB   LYS  25           HB2      LYS  25   8.170   9.810   9.810
  182   1HG   LYS  25           HG2      LYS  25   8.495  12.007  12.007
  183   2HG   LYS  25           HG1      LYS  25   7.529  12.604  12.604
  184   1HD   LYS  25           HD2      LYS  25   9.577  13.194  13.194
  185   2HD   LYS  25           HD1      LYS  25   9.608  11.509  11.509
  186   1HE   LYS  25           HE2      LYS  25  10.888  10.853  10.853
  187   2HE   LYS  25           HE1      LYS  25  10.707  12.466  12.466
  188   1HZ   LYS  25           HZ3      LYS  25  11.727  13.329  13.329
  189   2HZ   LYS  25           HZ2      LYS  25  12.163  11.726  11.726
  190   3HZ   LYS  25           HZ1      LYS  25  12.780  12.492  12.492
  191    H    TYR  26           HN       TYR  26   7.110   8.036   8.036
  192    HA   TYR  26           HA       TYR  26   5.493   7.031   7.031
  193   1HB   TYR  26           HB1      TYR  26   7.624   5.941   5.941
  194   2HB   TYR  26           HB2      TYR  26   6.795   4.911   4.911
  195    HD1  TYR  26           HD2      TYR  26   6.598   6.086   6.086
  196    HD2  TYR  26           HD1      TYR  26   9.631   6.864   6.864
  197    HE1  TYR  26           HE2      TYR  26   8.113   6.909   6.909
  198    HE2  TYR  26           HE1      TYR  26  11.148   7.688   7.688
  199    HH   TYR  26           HH       TYR  26  10.645   8.764   8.764
  200    H    LEU  27           HN       LEU  27   3.391   6.436   6.436
  201    HA   LEU  27           HA       LEU  27   2.876   5.134   5.134
  202   1HB   LEU  27           HB2      LEU  27   1.293   7.073   7.073
  203   2HB   LEU  27           HB1      LEU  27   0.526   6.120   6.120
  204    HG   LEU  27           HG       LEU  27   1.120   8.270   8.270
  205   1HD1  LEU  27          HD11      LEU  27   1.755   5.934   5.934
  206   2HD1  LEU  27          HD13      LEU  27   3.367   6.644   6.644
  207   3HD1  LEU  27          HD12      LEU  27   2.075   7.489   7.489
  208   1HD2  LEU  27          HD21      LEU  27   3.164   8.277   8.277
  209   2HD2  LEU  27          HD23      LEU  27   3.037   9.397   9.397
  210   3HD2  LEU  27          HD22      LEU  27   4.036   7.952   7.952
  211    H    LEU  28           HN       LEU  28   2.532   2.973   2.973
  212    HA   LEU  28           HA       LEU  28   1.417   2.073   2.073
  213   1HB   LEU  28           HB2      LEU  28   3.385   1.119   1.119
  214   2HB   LEU  28           HB1      LEU  28   2.048   0.270   0.270
  215    HG   LEU  28           HG       LEU  28   3.069  -1.074  -1.074
  216   1HD1  LEU  28          HD23      LEU  28   0.459  -0.827  -0.827
  217   2HD1  LEU  28          HD22      LEU  28   0.412  -0.296  -0.296
  218   3HD1  LEU  28          HD21      LEU  28   1.038  -1.895  -1.895
  219   1HD2  LEU  28          HD13      LEU  28   3.576   1.101   1.101
  220   2HD2  LEU  28          HD12      LEU  28   3.127  -0.353  -0.353
  221   3HD2  LEU  28          HD11      LEU  28   1.934   0.917   0.917
  222    H    VAL  29           HN       VAL  29  -0.679   1.299   1.299
  223    HA   VAL  29           HA       VAL  29  -2.308   0.981   0.981
  224    HB   VAL  29           HB       VAL  29  -3.137   2.365   2.365
  225   1HG1  VAL  29          HG23      VAL  29  -4.542   1.424   1.424
  226   2HG1  VAL  29          HG22      VAL  29  -4.767   3.153   3.153
  227   3HG1  VAL  29          HG21      VAL  29  -5.200   2.009   2.009
  228   1HG2  VAL  29          HG11      VAL  29  -1.994   3.382   3.382
  229   2HG2  VAL  29          HG13      VAL  29  -1.623   3.881   3.881
  230   3HG2  VAL  29          HG12      VAL  29  -3.140   4.377   4.377
  231    H    GLU  30           HN       GLU  30  -3.537  -0.867  -0.867
  232    HA   GLU  30           HA       GLU  30  -3.882  -2.297  -2.297
  233   1HB   GLU  30           HB1      GLU  30  -2.210  -3.344  -3.344
  234   2HB   GLU  30           HB2      GLU  30  -3.365  -3.368  -3.368
  235   1HG   GLU  30           HG1      GLU  30  -4.761  -4.954  -4.954
  236   2HG   GLU  30           HG2      GLU  30  -3.921  -4.726  -4.726
  237    H    PHE  31           HN       PHE  31  -6.019  -2.545  -2.545
  238    HA   PHE  31           HA       PHE  31  -8.093  -2.094  -2.094
  239   1HB   PHE  31           HB2      PHE  31  -8.046  -2.387  -2.387
  240   2HB   PHE  31           HB1      PHE  31  -9.537  -2.183  -2.183
  241    HD1  PHE  31           HD1      PHE  31  -9.972  -0.092  -0.092
  242    HD2  PHE  31           HD2      PHE  31  -6.496  -0.565  -0.565
  243    HE1  PHE  31           HE1      PHE  31  -9.615   2.362   2.362
  244    HE2  PHE  31           HE2      PHE  31  -6.136   1.888   1.888
  245    HZ   PHE  31           HZ       PHE  31  -7.695   3.352   3.352
  246    H    TYR  32           HN       TYR  32  -8.895  -3.900  -3.900
  247    HA   TYR  32           HA       TYR  32  -9.337  -6.369  -6.369
  248   1HB   TYR  32           HB1      TYR  32  -8.216  -7.728  -7.728
  249   2HB   TYR  32           HB2      TYR  32  -7.113  -6.477  -6.477
  250    HD1  TYR  32           HD2      TYR  32  -7.211  -4.203  -4.203
  251    HD2  TYR  32           HD1      TYR  32  -8.503  -8.032  -8.032
  252    HE1  TYR  32           HE2      TYR  32  -6.979  -3.396  -3.396
  253    HE2  TYR  32           HE1      TYR  32  -8.265  -7.227  -7.227
  254    HH   TYR  32           HH       TYR  32  -6.842  -5.377  -5.377
  255    H    ALA  33           HN       ALA  33 -10.283  -8.045  -8.045
  256    HA   ALA  33           HA       ALA  33 -12.321  -6.592  -6.592
  257   1HB   ALA  33           HB2      ALA  33 -13.153  -7.075  -7.075
  258   2HB   ALA  33           HB1      ALA  33 -12.957  -8.793  -8.793
  259   3HB   ALA  33           HB3      ALA  33 -14.112  -7.832  -7.832
  260    HA   PRO  34           HA       PRO  34 -11.619  -9.867  -9.867
  261   1HB   PRO  34           HB2      PRO  34 -14.109 -10.268 -10.268
  262   2HB   PRO  34           HB1      PRO  34 -13.102  -8.858  -8.858
  263   1HG   PRO  34           HG2      PRO  34 -15.383  -9.106  -9.106
  264   2HG   PRO  34           HG1      PRO  34 -14.985  -7.787  -7.787
  265   1HD   PRO  34           HD2      PRO  34 -14.442  -7.679  -7.679
  266   2HD   PRO  34           HD1      PRO  34 -13.450  -6.860  -6.860
  267    H    TRP  35           HN       TRP  35 -13.649 -10.311 -10.311
  268    HA   TRP  35           HA       TRP  35 -13.603 -13.278 -13.278
  269   1HB   TRP  35           HB2      TRP  35 -15.824 -13.292 -13.292
  270   2HB   TRP  35           HB1      TRP  35 -15.844 -12.311 -12.311
  271    HD1  TRP  35           HD1      TRP  35 -16.109  -9.711  -9.711
  272    HE1  TRP  35           HE1      TRP  35 -16.765  -8.194  -8.194
  273    HE3  TRP  35           HE3      TRP  35 -15.647 -13.032 -13.032
  274    HZ2  TRP  35           HZ2      TRP  35 -17.055  -8.367  -8.367
  275    HZ3  TRP  35           HZ3      TRP  35 -16.117 -12.332 -12.332
  276    HH2  TRP  35           HH2      TRP  35 -16.820 -10.006 -10.006
  277    H    CYS  36           HN       CYS  36 -12.116 -10.993 -10.993
  278    HA   CYS  36           HA       CYS  36 -12.589 -11.687 -11.687
  279   1HB   CYS  36           HB2      CYS  36 -10.494 -10.417 -10.417
  280   2HB   CYS  36           HB1      CYS  36 -11.542  -9.599  -9.599
  281    H    GLY  37           HN       GLY  37 -10.562 -12.579 -12.579
  282   1HA   GLY  37           HA2      GLY  37  -9.590 -15.028 -15.028
  283   2HA   GLY  37           HA1      GLY  37 -10.027 -15.024 -15.024
  284    H    HIS  38           HN       HIS  38  -7.480 -15.855 -15.855
  285    HA   HIS  38           HA       HIS  38  -5.200 -15.489 -15.489
  286   1HB   HIS  38           HB2      HIS  38  -6.775 -14.547 -14.547
  287   2HB   HIS  38           HB1      HIS  38  -5.804 -13.127 -13.127
  288    HD1  HIS  38           HD1      HIS  38  -3.084 -13.919 -13.919
  289    HD2  HIS  38           HD2      HIS  38  -5.454 -16.119 -16.119
  290    HE1  HIS  38           HE1      HIS  38  -1.493 -15.186 -15.186
  291    H    CYS  39           HN       CYS  39  -6.762 -13.721 -13.721
  292    HA   CYS  39           HA       CYS  39  -5.075 -11.295 -11.295
  293   1HB   CYS  39           HB2      CYS  39  -7.239 -12.372 -12.372
  294   2HB   CYS  39           HB1      CYS  39  -6.550 -10.750 -10.750
  295    H    LYS  40           HN       LYS  40  -5.281 -14.443 -14.443
  296    HA   LYS  40           HA       LYS  40  -3.592 -13.769 -13.769
  297   1HB   LYS  40           HB2      LYS  40  -4.592 -16.324 -16.324
  298   2HB   LYS  40           HB1      LYS  40  -3.612 -16.316 -16.316
  299   1HG   LYS  40           HG2      LYS  40  -5.303 -15.461 -15.461
  300   2HG   LYS  40           HG1      LYS  40  -5.968 -14.501 -14.501
  301   1HD   LYS  40           HD2      LYS  40  -7.501 -16.337 -16.337
  302   2HD   LYS  40           HD1      LYS  40  -6.864 -16.562 -16.562
  303   1HE   LYS  40           HE2      LYS  40  -6.176 -18.623 -18.623
  304   2HE   LYS  40           HE1      LYS  40  -5.013 -17.827 -17.827
  305   1HZ   LYS  40           HZ3      LYS  40  -6.956 -17.517 -17.517
  306   2HZ   LYS  40           HZ2      LYS  40  -7.800 -18.635 -18.635
  307   3HZ   LYS  40           HZ1      LYS  40  -6.379 -19.103 -19.103
  308    H    ALA  41           HN       ALA  41  -3.057 -14.742 -14.742
  309    HA   ALA  41           HA       ALA  41  -0.510 -15.996 -15.996
  310   1HB   ALA  41           HB2      ALA  41  -2.188 -14.646 -14.646
  311   2HB   ALA  41           HB1      ALA  41  -0.463 -14.669 -14.669
  312   3HB   ALA  41           HB3      ALA  41  -1.327 -16.183 -16.183
  313    H    LEU  42           HN       LEU  42  -1.325 -12.538 -12.538
  314    HA   LEU  42           HA       LEU  42   1.520 -11.872 -11.872
  315   1HB   LEU  42           HB1      LEU  42  -0.017 -11.249 -11.249
  316   2HB   LEU  42           HB2      LEU  42  -0.220  -9.813  -9.813
  317    HG   LEU  42           HG       LEU  42   2.252  -9.659  -9.659
  318   1HD1  LEU  42          HD11      LEU  42   2.134 -12.311 -12.311
  319   2HD1  LEU  42          HD13      LEU  42   2.922 -11.377 -11.377
  320   3HD1  LEU  42          HD12      LEU  42   3.583 -11.376 -11.376
  321   1HD2  LEU  42          HD21      LEU  42   0.750  -8.771  -8.771
  322   2HD2  LEU  42          HD23      LEU  42   2.495  -8.526  -8.526
  323   3HD2  LEU  42          HD22      LEU  42   1.816  -9.846  -9.846
  324    H    ALA  43           HN       ALA  43  -0.483 -12.403 -12.403
  325    HA   ALA  43           HA       ALA  43  -1.318  -9.761  -9.761
  326   1HB   ALA  43           HB3      ALA  43  -2.154 -12.461 -12.461
  327   2HB   ALA  43           HB2      ALA  43  -1.660 -11.977 -11.977
  328   3HB   ALA  43           HB1      ALA  43  -2.896 -11.055 -11.055
  329    HA   PRO  44           HA       PRO  44   1.935 -10.893 -10.893
  330   1HB   PRO  44           HB2      PRO  44   3.303 -13.247 -13.247
  331   2HB   PRO  44           HB1      PRO  44   1.723 -13.115 -13.115
  332   1HG   PRO  44           HG2      PRO  44   2.438 -14.315 -14.315
  333   2HG   PRO  44           HG1      PRO  44   1.032 -14.609 -14.609
  334   1HD   PRO  44           HD2      PRO  44   1.168 -13.012 -13.012
  335   2HD   PRO  44           HD1      PRO  44  -0.223 -13.265 -13.265
  336    H    GLU  45           HN       GLU  45   2.468 -11.179 -11.179
  337    HA   GLU  45           HA       GLU  45   5.414 -10.948 -10.948
  338   1HB   GLU  45           HB2      GLU  45   3.342 -10.973 -10.973
  339   2HB   GLU  45           HB1      GLU  45   5.081 -10.926 -10.926
  340   1HG   GLU  45           HG1      GLU  45   5.060 -13.179 -13.179
  341   2HG   GLU  45           HG2      GLU  45   4.716 -13.027 -13.027
  342    H    TYR  46           HN       TYR  46   2.537  -9.056  -9.056
  343    HA   TYR  46           HA       TYR  46   3.951  -6.665  -6.665
  344   1HB   TYR  46           HB2      TYR  46   1.803  -6.766  -6.766
  345   2HB   TYR  46           HB1      TYR  46   1.187  -7.645  -7.645
  346    HD1  TYR  46           HD1      TYR  46   0.601  -6.445  -6.445
  347    HD2  TYR  46           HD2      TYR  46   1.711  -4.355  -4.355
  348    HE1  TYR  46           HE1      TYR  46  -0.350  -4.345  -4.345
  349    HE2  TYR  46           HE2      TYR  46   0.760  -2.257  -2.257
  350    HH   TYR  46           HH       TYR  46  -0.924  -2.216  -2.216
  351    H    ALA  47           HN       ALA  47   2.990  -8.051  -8.051
  352    HA   ALA  47           HA       ALA  47   3.144  -5.564  -5.564
  353   1HB   ALA  47           HB3      ALA  47   2.696  -8.465  -8.465
  354   2HB   ALA  47           HB2      ALA  47   3.359  -7.579  -7.579
  355   3HB   ALA  47           HB1      ALA  47   1.824  -7.083  -7.083
  356    H    LYS  48           HN       LYS  48   5.357  -8.169  -8.169
  357    HA   LYS  48           HA       LYS  48   7.434  -7.449  -7.449
  358   1HB   LYS  48           HB2      LYS  48   7.337  -9.066  -9.066
  359   2HB   LYS  48           HB1      LYS  48   8.756  -8.983  -8.983
  360   1HG   LYS  48           HG2      LYS  48   6.007  -9.935  -9.935
  361   2HG   LYS  48           HG1      LYS  48   7.393 -10.976 -10.976
  362   1HD   LYS  48           HD2      LYS  48   8.375  -9.070  -9.070
  363   2HD   LYS  48           HD1      LYS  48   6.764  -9.455  -9.455
  364   1HE   LYS  48           HE2      LYS  48   8.528 -11.725 -11.725
  365   2HE   LYS  48           HE1      LYS  48   8.838 -10.955 -10.955
  366   1HZ   LYS  48           HZ1      LYS  48   6.437 -11.166 -11.166
  367   2HZ   LYS  48           HZ3      LYS  48   6.248 -12.053 -12.053
  368   3HZ   LYS  48           HZ2      LYS  48   7.206 -12.671 -12.671
  369    H    ALA  49           HN       ALA  49   6.698  -6.617  -6.617
  370    HA   ALA  49           HA       ALA  49   9.115  -5.357  -5.357
  371   1HB   ALA  49           HB3      ALA  49   6.215  -5.152  -5.152
  372   2HB   ALA  49           HB2      ALA  49   7.287  -3.892  -3.892
  373   3HB   ALA  49           HB1      ALA  49   7.582  -5.580  -5.580
  374    H    ALA  50           HN       ALA  50   6.455  -4.202  -4.202
  375    HA   ALA  50           HA       ALA  50   7.304  -1.433  -1.433
  376   1HB   ALA  50           HB2      ALA  50   5.011  -2.343  -2.343
  377   2HB   ALA  50           HB1      ALA  50   5.649  -3.078  -3.078
  378   3HB   ALA  50           HB3      ALA  50   5.625  -1.322  -1.322
  379    H    GLY  51           HN       GLY  51   8.215  -4.360  -4.360
  380   1HA   GLY  51           HA2      GLY  51   9.443  -3.041  -3.041
  381   2HA   GLY  51           HA1      GLY  51   9.666  -4.729  -4.729
  382    H    LYS  52           HN       LYS  52  10.487  -3.999  -3.999
  383    HA   LYS  52           HA       LYS  52  13.296  -3.937  -3.937
  384   1HB   LYS  52           HB2      LYS  52  11.440  -3.012  -3.012
  385   2HB   LYS  52           HB1      LYS  52  13.178  -3.222  -3.222
  386   1HG   LYS  52           HG1      LYS  52  11.467  -5.454  -5.454
  387   2HG   LYS  52           HG2      LYS  52  11.637  -5.203  -5.203
  388   1HD   LYS  52           HD2      LYS  52  13.931  -5.673  -5.673
  389   2HD   LYS  52           HD1      LYS  52  14.085  -5.312  -5.312
  390   1HE   LYS  52           HE2      LYS  52  13.305  -7.399  -7.399
  391   2HE   LYS  52           HE1      LYS  52  12.300  -7.585  -7.585
  392   1HZ   LYS  52           HZ3      LYS  52  14.344  -7.723  -7.723
  393   2HZ   LYS  52           HZ2      LYS  52  15.270  -7.649  -7.649
  394   3HZ   LYS  52           HZ1      LYS  52  14.251  -8.978  -8.978
  395    H    LEU  53           HN       LEU  53  11.003  -1.261  -1.261
  396    HA   LEU  53           HA       LEU  53  12.805   0.887   0.887
  397   1HB   LEU  53           HB2      LEU  53  10.420   1.093   1.093
  398   2HB   LEU  53           HB1      LEU  53  10.093   0.626   0.626
  399    HG   LEU  53           HG       LEU  53  11.892   2.865   2.865
  400   1HD1  LEU  53          HD22      LEU  53  10.825   3.236   3.236
  401   2HD1  LEU  53          HD21      LEU  53   9.276   3.379   3.379
  402   3HD1  LEU  53          HD23      LEU  53  10.562   4.541   4.541
  403   1HD2  LEU  53          HD13      LEU  53  10.352   2.166   2.166
  404   2HD2  LEU  53          HD12      LEU  53  10.111   3.853   3.853
  405   3HD2  LEU  53          HD11      LEU  53   8.980   2.620   2.620
  406    H    LYS  54           HN       LYS  54  11.240  -0.177  -0.177
  407    HA   LYS  54           HA       LYS  54  12.435   1.433   1.433
  408   1HB   LYS  54           HB2      LYS  54  11.280  -1.241  -1.241
  409   2HB   LYS  54           HB1      LYS  54  12.469  -1.124  -1.124
  410   1HG   LYS  54           HG2      LYS  54  11.150   0.238   0.238
  411   2HG   LYS  54           HG1      LYS  54  10.680   1.201   1.201
  412   1HD   LYS  54           HD2      LYS  54   8.845  -0.110  -0.110
  413   2HD   LYS  54           HD1      LYS  54   9.600  -1.573  -1.573
  414   1HE   LYS  54           HE2      LYS  54   9.395  -0.499  -0.499
  415   2HE   LYS  54           HE1      LYS  54   8.303   0.672   0.672
  416   1HZ   LYS  54           HZ3      LYS  54   7.179  -1.360  -1.360
  417   2HZ   LYS  54           HZ2      LYS  54   8.017  -2.269  -2.269
  418   3HZ   LYS  54           HZ1      LYS  54   6.911  -1.075  -1.075
  419    H    ALA  55           HN       ALA  55  13.910  -1.469  -1.469
  420    HA   ALA  55           HA       ALA  55  16.288  -1.498  -1.498
  421   1HB   ALA  55           HB3      ALA  55  15.183  -2.731  -2.731
  422   2HB   ALA  55           HB2      ALA  55  16.935  -2.543  -2.543
  423   3HB   ALA  55           HB1      ALA  55  16.203  -3.443  -3.443
  424    H    GLU  56           HN       GLU  56  15.312   0.562   0.562
  425    HA   GLU  56           HA       GLU  56  18.108   1.634   1.634
  426   1HB   GLU  56           HB2      GLU  56  15.866   1.489   1.489
  427   2HB   GLU  56           HB1      GLU  56  17.405   2.305   2.305
  428   1HG   GLU  56           HG2      GLU  56  18.372  -0.050  -0.050
  429   2HG   GLU  56           HG1      GLU  56  16.815  -0.616  -0.616
  430    H    GLY  57           HN       GLY  57  14.717   2.630   2.630
  431   1HA   GLY  57           HA1      GLY  57  13.804   4.494   4.494
  432   2HA   GLY  57           HA2      GLY  57  15.403   5.237   5.237
  433    H    SER  58           HN       SER  58  13.965   3.655   3.655
  434    HA   SER  58           HA       SER  58  14.377   5.814   5.814
  435   1HB   SER  58           HB2      SER  58  13.456   3.179   3.179
  436   2HB   SER  58           HB1      SER  58  12.087   4.115   4.115
  437    HG   SER  58           HG       SER  58  13.663   5.154   5.154
  438    H    GLU  59           HN       GLU  59  12.375   6.751   6.751
  439    HA   GLU  59           HA       GLU  59  10.540   7.970   7.970
  440   1HB   GLU  59           HB1      GLU  59  10.433   9.822   9.822
  441   2HB   GLU  59           HB2      GLU  59  12.103   9.464   9.464
  442   1HG   GLU  59           HG2      GLU  59  12.002   9.698   9.698
  443   2HG   GLU  59           HG1      GLU  59  12.243   7.990   7.990
  444    H    ILE  60           HN       ILE  60   9.994   5.367   5.367
  445    HA   ILE  60           HA       ILE  60   7.685   5.998   5.998
  446    HB   ILE  60           HB       ILE  60   9.369   3.507   3.507
  447   1HG1  ILE  60          HG12      ILE  60   9.335   4.855   4.855
  448   2HG1  ILE  60          HG11      ILE  60  10.016   5.847   5.847
  449   1HG2  ILE  60          HG22      ILE  60   6.948   4.115   4.115
  450   2HG2  ILE  60          HG21      ILE  60   8.157   2.996   2.996
  451   3HG2  ILE  60          HG23      ILE  60   7.340   2.657   2.657
  452   1HD1  ILE  60          HD11      ILE  60  10.868   2.983   2.983
  453   2HD1  ILE  60          HD13      ILE  60  11.534   4.125   4.125
  454   3HD1  ILE  60          HD12      ILE  60  11.774   4.388   4.388
  455    H    ARG  61           HN       ARG  61   5.881   4.293   4.293
  456    HA   ARG  61           HA       ARG  61   5.692   3.019   3.019
  457   1HB   ARG  61           HB2      ARG  61   4.424   5.625   5.625
  458   2HB   ARG  61           HB1      ARG  61   3.484   4.509   4.509
  459   1HG   ARG  61           HG1      ARG  61   5.864   4.358   4.358
  460   2HG   ARG  61           HG2      ARG  61   5.955   6.011   6.011
  461   1HD   ARG  61           HD2      ARG  61   3.984   6.665   6.665
  462   2HD   ARG  61           HD1      ARG  61   3.501   4.981   4.981
  463    HE   ARG  61           HE       ARG  61   6.037   6.042   6.042
  464   1HH1  ARG  61          HH21      ARG  61   5.467   3.271   3.271
  465   2HH1  ARG  61          HH22      ARG  61   4.555   3.359   3.359
  466   1HH2  ARG  61          HH11      ARG  61   3.769   6.717   6.717
  467   2HH2  ARG  61          HH12      ARG  61   3.593   5.312   5.312
  468    H    LEU  62           HN       LEU  62   4.014   1.466   1.466
  469    HA   LEU  62           HA       LEU  62   2.609   1.038   1.038
  470   1HB   LEU  62           HB1      LEU  62   3.845  -0.647  -0.647
  471   2HB   LEU  62           HB2      LEU  62   2.369  -1.288  -1.288
  472    HG   LEU  62           HG       LEU  62   3.363  -0.946  -0.946
  473   1HD1  LEU  62          HD12      LEU  62   5.432   0.342   0.342
  474   2HD1  LEU  62          HD11      LEU  62   6.067  -0.741  -0.741
  475   3HD1  LEU  62          HD13      LEU  62   5.025   0.607   0.607
  476   1HD2  LEU  62          HD21      LEU  62   3.717  -3.035  -3.035
  477   2HD2  LEU  62          HD23      LEU  62   4.512  -2.953  -2.953
  478   3HD2  LEU  62          HD22      LEU  62   5.402  -2.527  -2.527
  479    H    ALA  63           HN       ALA  63   0.340   0.299   0.299
  480    HA   ALA  63           HA       ALA  63  -1.046   0.609   0.609
  481   1HB   ALA  63           HB1      ALA  63  -0.682   2.901   2.901
  482   2HB   ALA  63           HB3      ALA  63  -1.654   2.412   2.412
  483   3HB   ALA  63           HB2      ALA  63  -2.383   2.491   2.491
  484    H    LYS  64           HN       LYS  64  -3.412   0.114   0.114
  485    HA   LYS  64           HA       LYS  64  -4.038  -1.483  -1.483
  486   1HB   LYS  64           HB1      LYS  64  -4.281  -2.226  -2.226
  487   2HB   LYS  64           HB2      LYS  64  -5.067  -3.137  -3.137
  488   1HG   LYS  64           HG2      LYS  64  -2.286  -2.648  -2.648
  489   2HG   LYS  64           HG1      LYS  64  -2.425  -3.452  -3.452
  490   1HD   LYS  64           HD2      LYS  64  -4.144  -4.476  -4.476
  491   2HD   LYS  64           HD1      LYS  64  -2.418  -4.824  -4.824
  492   1HE   LYS  64           HE1      LYS  64  -2.975  -5.373  -5.373
  493   2HE   LYS  64           HE2      LYS  64  -4.436  -5.941  -5.941
  494   1HZ   LYS  64           HZ1      LYS  64  -2.989  -7.074  -7.074
  495   2HZ   LYS  64           HZ3      LYS  64  -1.622  -6.587  -6.587
  496   3HZ   LYS  64           HZ2      LYS  64  -2.742  -7.659  -7.659
  497    H    VAL  65           HN       VAL  65  -6.462  -1.932  -1.932
  498    HA   VAL  65           HA       VAL  65  -8.091   0.125   0.125
  499    HB   VAL  65           HB       VAL  65  -7.950  -0.393  -0.393
  500   1HG1  VAL  65          HG11      VAL  65 -10.273   0.057   0.057
  501   2HG1  VAL  65          HG13      VAL  65  -9.666   1.639   1.639
  502   3HG1  VAL  65          HG12      VAL  65  -9.719   1.208   1.208
  503   1HG2  VAL  65          HG21      VAL  65  -7.246   2.004   2.004
  504   2HG2  VAL  65          HG23      VAL  65  -6.119   0.994   0.994
  505   3HG2  VAL  65          HG22      VAL  65  -7.273   2.014   2.014
  506    H    ASP  66           HN       ASP  66 -10.136  -0.622  -0.622
  507    HA   ASP  66           HA       ASP  66 -10.731  -3.463  -3.463
  508   1HB   ASP  66           HB1      ASP  66 -11.235  -1.523  -1.523
  509   2HB   ASP  66           HB2      ASP  66 -12.725  -2.336  -2.336
  510    H    ALA  67           HN       ALA  67 -11.493  -3.372  -3.372
  511    HA   ALA  67           HA       ALA  67 -13.146  -1.510  -1.510
  512   1HB   ALA  67           HB3      ALA  67 -12.940  -4.520  -4.520
  513   2HB   ALA  67           HB2      ALA  67 -13.977  -3.616  -3.616
  514   3HB   ALA  67           HB1      ALA  67 -12.238  -3.323  -3.323
  515    H    THR  68           HN       THR  68 -14.034  -3.827  -3.827
  516    HA   THR  68           HA       THR  68 -16.931  -3.418  -3.418
  517    HB   THR  68           HB       THR  68 -17.074  -5.051  -5.051
  518    HG1  THR  68           HG1      THR  68 -14.264  -5.172  -5.172
  519   1HG2  THR  68          HG22      THR  68 -16.453  -5.608  -5.608
  520   2HG2  THR  68          HG21      THR  68 -14.912  -6.089  -6.089
  521   3HG2  THR  68          HG23      THR  68 -16.404  -6.872  -6.872
  522    H    GLU  69           HN       GLU  69 -14.819  -1.324  -1.324
  523    HA   GLU  69           HA       GLU  69 -16.639  -0.286  -0.286
  524   1HB   GLU  69           HB1      GLU  69 -14.506  -1.766  -1.766
  525   2HB   GLU  69           HB2      GLU  69 -13.702  -0.207  -0.207
  526   1HG   GLU  69           HG2      GLU  69 -15.720   0.690   0.690
  527   2HG   GLU  69           HG1      GLU  69 -15.899  -0.997  -0.997
  528    H    GLU  70           HN       GLU  70 -13.579   0.313   0.313
  529    HA   GLU  70           HA       GLU  70 -14.255   3.222   3.222
  530   1HB   GLU  70           HB2      GLU  70 -11.718   1.695   1.695
  531   2HB   GLU  70           HB1      GLU  70 -11.866   3.449   3.449
  532   1HG   GLU  70           HG2      GLU  70 -11.783   3.419   3.419
  533   2HG   GLU  70           HG1      GLU  70 -12.870   2.035   2.035
  534    H    SER  71           HN       SER  71 -15.793   1.550   1.550
  535    HA   SER  71           HA       SER  71 -14.667   1.353   1.353
  536   1HB   SER  71           HB2      SER  71 -16.477  -0.076  -0.076
  537   2HB   SER  71           HB1      SER  71 -17.462   1.303   1.303
  538    HG   SER  71           HG       SER  71 -18.038   1.564   1.564
  539    H    ASP  72           HN       ASP  72 -16.151   3.921   3.921
  540    HA   ASP  72           HA       ASP  72 -17.271   5.546   5.546
  541   1HB   ASP  72           HB2      ASP  72 -16.313   5.742   5.742
  542   2HB   ASP  72           HB1      ASP  72 -15.958   7.224   7.224
  543    H    LEU  73           HN       LEU  73 -13.923   4.793   4.793
  544    HA   LEU  73           HA       LEU  73 -13.106   6.856   6.856
  545   1HB   LEU  73           HB2      LEU  73 -10.860   6.648   6.648
  546   2HB   LEU  73           HB1      LEU  73 -12.163   7.378   7.378
  547    HG   LEU  73           HG       LEU  73 -11.848   4.415   4.415
  548   1HD1  LEU  73          HD22      LEU  73  -9.661   6.197   6.197
  549   2HD1  LEU  73          HD21      LEU  73 -10.240   5.631   5.631
  550   3HD1  LEU  73          HD23      LEU  73  -9.744   4.467   4.467
  551   1HD2  LEU  73          HD11      LEU  73 -13.307   6.445   6.445
  552   2HD2  LEU  73          HD13      LEU  73 -13.199   4.754   4.754
  553   3HD2  LEU  73          HD12      LEU  73 -12.086   5.940   5.940
  554    H    ALA  74           HN       ALA  74 -13.114   3.481   3.481
  555    HA   ALA  74           HA       ALA  74 -10.998   2.734   2.734
  556   1HB   ALA  74           HB2      ALA  74 -11.508   1.485   1.485
  557   2HB   ALA  74           HB1      ALA  74 -13.118   1.123   1.123
  558   3HB   ALA  74           HB3      ALA  74 -11.694   0.456   0.456
  559    H    GLN  75           HN       GLN  75 -14.557   2.427   2.427
  560    HA   GLN  75           HA       GLN  75 -14.922   1.263   1.263
  561   1HB   GLN  75           HB2      GLN  75 -16.637   1.272   1.272
  562   2HB   GLN  75           HB1      GLN  75 -16.662   3.035   3.035
  563   1HG   GLN  75           HG1      GLN  75 -17.857   3.171   3.171
  564   2HG   GLN  75           HG2      GLN  75 -17.147   1.695   1.695
  565   1HE2  GLN  75          HE22      GLN  75 -20.194   1.208   1.208
  566   2HE2  GLN  75          HE21      GLN  75 -19.078   2.466   2.466
  567    H    GLN  76           HN       GLN  76 -14.367   4.547   4.547
  568    HA   GLN  76           HA       GLN  76 -15.278   5.997   5.997
  569   1HB   GLN  76           HB2      GLN  76 -13.959   6.438   6.438
  570   2HB   GLN  76           HB1      GLN  76 -12.865   7.061   7.061
  571   1HG   GLN  76           HG1      GLN  76 -14.785   8.342   8.342
  572   2HG   GLN  76           HG2      GLN  76 -15.781   7.801   7.801
  573   1HE2  GLN  76          HE22      GLN  76 -14.486  10.217  10.217
  574   2HE2  GLN  76          HE21      GLN  76 -15.635   9.000   9.000
  575    H    TYR  77           HN       TYR  77 -12.177   4.428   4.428
  576    HA   TYR  77           HA       TYR  77 -10.801   5.330   5.330
  577   1HB   TYR  77           HB1      TYR  77 -10.433   2.951   2.951
  578   2HB   TYR  77           HB2      TYR  77  -9.240   3.486   3.486
  579    HD1  TYR  77           HD1      TYR  77  -9.401   6.408   6.408
  580    HD2  TYR  77           HD2      TYR  77  -9.531   3.452   3.452
  581    HE1  TYR  77           HE1      TYR  77  -8.547   8.079   8.079
  582    HE2  TYR  77           HE2      TYR  77  -8.678   5.125   5.125
  583    HH   TYR  77           HH       TYR  77  -7.463   7.196   7.196
  584    H    GLY  78           HN       GLY  78 -12.451   2.277   2.277
  585   1HA   GLY  78           HA1      GLY  78 -13.899   1.296   1.296
  586   2HA   GLY  78           HA2      GLY  78 -12.595   1.694   1.694
  587    H    VAL  79           HN       VAL  79 -12.764   0.111   0.111
  588    HA   VAL  79           HA       VAL  79 -10.920  -1.995  -1.995
  589    HB   VAL  79           HB       VAL  79 -11.648  -1.137  -1.137
  590   1HG1  VAL  79          HG13      VAL  79  -9.436  -2.911  -2.911
  591   2HG1  VAL  79          HG12      VAL  79  -9.634  -2.426  -2.426
  592   3HG1  VAL  79          HG11      VAL  79 -10.842  -3.455  -3.455
  593   1HG2  VAL  79          HG22      VAL  79 -10.170   0.274   0.274
  594   2HG2  VAL  79          HG21      VAL  79 -10.033   0.450   0.450
  595   3HG2  VAL  79          HG23      VAL  79  -8.933  -0.621  -0.621
  596    H    ARG  80           HN       ARG  80 -12.097  -3.764  -3.764
  597    HA   ARG  80           HA       ARG  80 -14.411  -4.633  -4.633
  598   1HB   ARG  80           HB2      ARG  80 -13.882  -4.466  -4.466
  599   2HB   ARG  80           HB1      ARG  80 -14.886  -5.799  -5.799
  600   1HG   ARG  80           HG2      ARG  80 -16.098  -3.886  -3.886
  601   2HG   ARG  80           HG1      ARG  80 -15.401  -2.847  -2.847
  602   1HD   ARG  80           HD2      ARG  80 -16.581  -5.231  -5.231
  603   2HD   ARG  80           HD1      ARG  80 -17.773  -4.321  -4.321
  604    HE   ARG  80           HE       ARG  80 -16.011  -2.935  -2.935
  605   1HH1  ARG  80          HH11      ARG  80 -18.581  -2.421  -2.421
  606   2HH1  ARG  80          HH12      ARG  80 -19.669  -1.825  -1.825
  607   1HH2  ARG  80          HH21      ARG  80 -17.623  -2.712  -2.712
  608   2HH2  ARG  80          HH22      ARG  80 -19.126  -1.989  -1.989
  609    H    GLY  81           HN       GLY  81 -11.299  -5.355  -5.355
  610   1HA   GLY  81           HA2      GLY  81 -11.775  -8.249  -8.249
  611   2HA   GLY  81           HA1      GLY  81 -10.632  -7.799  -7.799
  612    H    TYR  82           HN       TYR  82 -10.785  -8.716  -8.716
  613    HA   TYR  82           HA       TYR  82  -8.483  -7.027  -7.027
  614   1HB   TYR  82           HB2      TYR  82 -10.141  -9.046  -9.046
  615   2HB   TYR  82           HB1      TYR  82  -9.082  -7.810  -7.810
  616    HD1  TYR  82           HD1      TYR  82  -9.846  -5.559  -5.559
  617    HD2  TYR  82           HD2      TYR  82 -12.230  -8.357  -8.357
  618    HE1  TYR  82           HE1      TYR  82 -11.729  -3.944  -3.944
  619    HE2  TYR  82           HE2      TYR  82 -14.113  -6.744  -6.744
  620    HH   TYR  82           HH       TYR  82 -14.910  -4.838  -4.838
  621    HA   PRO  83           HA       PRO  83  -7.260  -7.281  -7.281
  622   1HB   PRO  83           HB2      PRO  83  -4.600  -7.452  -7.452
  623   2HB   PRO  83           HB1      PRO  83  -5.839  -8.399  -8.399
  624   1HG   PRO  83           HG2      PRO  83  -3.821  -9.262  -9.262
  625   2HG   PRO  83           HG1      PRO  83  -4.733 -10.214 -10.214
  626   1HD   PRO  83           HD1      PRO  83  -5.205  -9.942  -9.942
  627   2HD   PRO  83           HD2      PRO  83  -6.098 -10.928 -10.928
  628    H    THR  84           HN       THR  84  -7.128  -5.319  -5.319
  629    HA   THR  84           HA       THR  84  -5.382  -5.020  -5.020
  630    HB   THR  84           HB       THR  84  -7.059  -2.840  -2.840
  631    HG1  THR  84           HG1      THR  84  -8.631  -4.235  -4.235
  632   1HG2  THR  84          HG21      THR  84  -5.696  -2.741  -2.741
  633   2HG2  THR  84          HG23      THR  84  -6.934  -3.807  -3.807
  634   3HG2  THR  84          HG22      THR  84  -7.376  -2.208  -2.208
  635    H    ILE  85           HN       ILE  85  -3.296  -4.326  -4.326
  636    HA   ILE  85           HA       ILE  85  -2.744  -2.589  -2.589
  637    HB   ILE  85           HB       ILE  85  -0.935  -4.420  -4.420
  638   1HG1  ILE  85          HG11      ILE  85  -1.585  -5.009  -5.009
  639   2HG1  ILE  85          HG12      ILE  85  -2.927  -5.202  -5.202
  640   1HG2  ILE  85          HG21      ILE  85   0.072  -2.397  -2.397
  641   2HG2  ILE  85          HG23      ILE  85  -0.424  -3.196  -3.196
  642   3HG2  ILE  85          HG22      ILE  85   0.733  -3.978  -3.978
  643   1HD1  ILE  85          HD12      ILE  85  -0.446  -6.305  -6.305
  644   2HD1  ILE  85          HD11      ILE  85  -0.891  -7.055  -7.055
  645   3HD1  ILE  85          HD13      ILE  85  -2.023  -7.074  -7.074
  646    H    LYS  86           HN       LYS  86  -2.313  -0.492  -0.492
  647    HA   LYS  86           HA       LYS  86  -1.100   0.098   0.098
  648   1HB   LYS  86           HB1      LYS  86  -2.911   1.826   1.826
  649   2HB   LYS  86           HB2      LYS  86  -2.375   2.182   2.182
  650   1HG   LYS  86           HG2      LYS  86  -3.485  -0.348  -0.348
  651   2HG   LYS  86           HG1      LYS  86  -4.557   0.450   0.450
  652   1HD   LYS  86           HD2      LYS  86  -4.189   2.438   2.438
  653   2HD   LYS  86           HD1      LYS  86  -4.122   1.006   1.006
  654   1HE   LYS  86           HE2      LYS  86  -6.332   1.438   1.438
  655   2HE   LYS  86           HE1      LYS  86  -6.460   1.964   1.964
  656   1HZ   LYS  86           HZ3      LYS  86  -5.870  -0.306  -0.306
  657   2HZ   LYS  86           HZ2      LYS  86  -5.852  -0.791  -0.791
  658   3HZ   LYS  86           HZ1      LYS  86  -7.304  -0.283  -0.283
  659    H    PHE  87           HN       PHE  87   0.199   2.218   2.218
  660    HA   PHE  87           HA       PHE  87   1.482   2.575   2.575
  661   1HB   PHE  87           HB2      PHE  87   2.746   1.104   1.104
  662   2HB   PHE  87           HB1      PHE  87   2.870   2.488   2.488
  663    HD1  PHE  87           HD1      PHE  87   2.883   3.775   3.775
  664    HD2  PHE  87           HD2      PHE  87   5.463   1.645   1.645
  665    HE1  PHE  87           HE1      PHE  87   4.864   4.573   4.573
  666    HE2  PHE  87           HE2      PHE  87   7.439   2.446   2.446
  667    HZ   PHE  87           HZ       PHE  87   7.235   3.825   3.825
  668    H    PHE  88           HN       PHE  88   1.197   4.687   4.687
  669    HA   PHE  88           HA       PHE  88   0.865   6.757   6.757
  670   1HB   PHE  88           HB1      PHE  88   0.205   6.458   6.458
  671   2HB   PHE  88           HB2      PHE  88   0.236   8.062   8.062
  672    HD1  PHE  88           HD2      PHE  88  -1.221   8.530   8.530
  673    HD2  PHE  88           HD1      PHE  88  -1.599   4.952   4.952
  674    HE1  PHE  88           HE2      PHE  88  -3.472   8.138   8.138
  675    HE2  PHE  88           HE1      PHE  88  -3.851   4.560   4.560
  676    HZ   PHE  88           HZ       PHE  88  -4.788   6.153   6.153
  677    H    ARG  89           HN       ARG  89   1.999   8.872   8.872
  678    HA   ARG  89           HA       ARG  89   4.529   8.621   8.621
  679   1HB   ARG  89           HB2      ARG  89   4.284   8.289   8.289
  680   2HB   ARG  89           HB1      ARG  89   4.888   9.934   9.934
  681   1HG   ARG  89           HG2      ARG  89   6.427   8.599   8.599
  682   2HG   ARG  89           HG1      ARG  89   6.216   7.359   7.359
  683   1HD   ARG  89           HD2      ARG  89   8.034   8.446   8.446
  684   2HD   ARG  89           HD1      ARG  89   6.761   9.496   9.496
  685    HE   ARG  89           HE       ARG  89   7.463  10.338  10.338
  686   1HH1  ARG  89          HH11      ARG  89   7.414  11.380  11.380
  687   2HH1  ARG  89          HH12      ARG  89   8.851  12.344  12.344
  688   1HH2  ARG  89          HH21      ARG  89   9.822  11.120  11.120
  689   2HH2  ARG  89          HH22      ARG  89  10.213  12.197  12.197
  690    H    ASN  90           HN       ASN  90   4.536  10.384  10.384
  691    HA   ASN  90           HA       ASN  90   4.180  12.588  12.588
  692   1HB   ASN  90           HB2      ASN  90   5.906  12.885  12.885
  693   2HB   ASN  90           HB1      ASN  90   4.642  13.064  13.064
  694   1HD2  ASN  90          HD22      ASN  90   4.788  16.053  16.053
  695   2HD2  ASN  90          HD21      ASN  90   4.970  14.440  14.440
  696    H    GLY  91           HN       GLY  91   1.819  11.004  11.004
  697   1HA   GLY  91           HA1      GLY  91  -0.480  11.457  11.457
  698   2HA   GLY  91           HA2      GLY  91  -0.131  13.125  13.125
  699    H    ASP  92           HN       ASP  92  -0.558  10.898  10.898
  700    HA   ASP  92           HA       ASP  92  -0.096  13.088  13.088
  701   1HB   ASP  92           HB1      ASP  92   0.013  10.117  10.117
  702   2HB   ASP  92           HB2      ASP  92  -0.550  10.833  10.833
  703    H    THR  93           HN       THR  93  -2.517  10.727  10.727
  704    HA   THR  93           HA       THR  93  -4.818  10.501  10.501
  705    HB   THR  93           HB       THR  93  -5.805  12.985  12.985
  706    HG1  THR  93           HG1      THR  93  -4.389  14.429  14.429
  707   1HG2  THR  93          HG21      THR  93  -5.870  11.105  11.105
  708   2HG2  THR  93          HG23      THR  93  -4.371  11.757  11.757
  709   3HG2  THR  93          HG22      THR  93  -5.842  12.732  12.732
  710    H    ALA  94           HN       ALA  94  -3.438  10.327  10.327
  711    HA   ALA  94           HA       ALA  94  -5.419  11.391  11.391
  712   1HB   ALA  94           HB2      ALA  94  -3.044  12.847  12.847
  713   2HB   ALA  94           HB1      ALA  94  -2.902  12.291  12.291
  714   3HB   ALA  94           HB3      ALA  94  -4.284  13.271  13.271
  715    H    SER  95           HN       SER  95  -2.107  10.078  10.078
  716    HA   SER  95           HA       SER  95  -2.913   7.818   7.818
  717   1HB   SER  95           HB1      SER  95  -1.071   8.311   8.311
  718   2HB   SER  95           HB2      SER  95  -2.182   9.677   9.677
  719    HG   SER  95           HG       SER  95   0.437   9.473   9.473
  720    HA   PRO  96           HA       PRO  96   0.110   6.809   6.809
  721   1HB   PRO  96           HB1      PRO  96  -1.298   4.692   4.692
  722   2HB   PRO  96           HB2      PRO  96  -1.551   6.365   6.365
  723   1HG   PRO  96           HG2      PRO  96  -3.138   4.712   4.712
  724   2HG   PRO  96           HG1      PRO  96  -3.692   5.870   5.870
  725   1HD   PRO  96           HD1      PRO  96  -3.545   6.441   6.441
  726   2HD   PRO  96           HD2      PRO  96  -3.404   7.666   7.666
  727    H    LYS  97           HN       LYS  97   1.375   4.754   4.754
  728    HA   LYS  97           HA       LYS  97   1.501   3.363   3.363
  729   1HB   LYS  97           HB1      LYS  97   3.234   3.451   3.451
  730   2HB   LYS  97           HB2      LYS  97   3.639   2.515   2.515
  731   1HG   LYS  97           HG2      LYS  97   4.070   4.397   4.397
  732   2HG   LYS  97           HG1      LYS  97   2.942   5.399   5.399
  733   1HD   LYS  97           HD2      LYS  97   4.468   5.605   5.605
  734   2HD   LYS  97           HD1      LYS  97   5.525   4.354   4.354
  735   1HE   LYS  97           HE2      LYS  97   6.678   6.220   6.220
  736   2HE   LYS  97           HE1      LYS  97   5.532   6.061   6.061
  737   1HZ   LYS  97           HZ3      LYS  97   5.077   7.661   7.661
  738   2HZ   LYS  97           HZ2      LYS  97   5.486   8.301   8.301
  739   3HZ   LYS  97           HZ1      LYS  97   3.999   7.511   7.511
  740    H    GLU  98           HN       GLU  98   1.972   0.919   0.919
  741    HA   GLU  98           HA       GLU  98   0.132  -0.317  -0.317
  742   1HB   GLU  98           HB2      GLU  98  -0.637  -0.409  -0.409
  743   2HB   GLU  98           HB1      GLU  98   0.896  -1.131  -1.131
  744   1HG   GLU  98           HG2      GLU  98   0.174  -3.184  -3.184
  745   2HG   GLU  98           HG1      GLU  98  -0.245  -2.627  -2.627
  746    H    TYR  99           HN       TYR  99   0.856  -2.263  -2.263
  747    HA   TYR  99           HA       TYR  99   3.778  -2.568  -2.568
  748   1HB   TYR  99           HB2      TYR  99   2.374  -2.617  -2.617
  749   2HB   TYR  99           HB1      TYR  99   1.428  -3.949  -3.949
  750    HD1  TYR  99           HD1      TYR  99   5.125  -3.390  -3.390
  751    HD2  TYR  99           HD2      TYR  99   1.881  -5.790  -5.790
  752    HE1  TYR  99           HE1      TYR  99   6.750  -5.007  -5.007
  753    HE2  TYR  99           HE2      TYR  99   3.506  -7.407  -7.407
  754    HH   TYR  99           HH       TYR  99   6.850  -6.711  -6.711
  755    H    THR 100           HN       THR 100   4.902  -4.025  -4.025
  756    HA   THR 100           HA       THR 100   3.614  -6.566  -6.566
  757    HB   THR 100           HB       THR 100   4.603  -5.909  -5.909
  758    HG1  THR 100           HG1      THR 100   4.828  -3.805  -3.805
  759   1HG2  THR 100          HG22      THR 100   2.129  -6.155  -6.155
  760   2HG2  THR 100          HG21      THR 100   2.121  -4.403  -4.403
  761   3HG2  THR 100          HG23      THR 100   2.433  -5.453  -5.453
  762    H    ALA 101           HN       ALA 101   5.257  -7.534  -7.534
  763    HA   ALA 101           HA       ALA 101   7.992  -7.485  -7.485
  764   1HB   ALA 101           HB1      ALA 101   7.045  -6.914  -6.914
  765   2HB   ALA 101           HB3      ALA 101   8.556  -7.809  -7.809
  766   3HB   ALA 101           HB2      ALA 101   8.396  -6.212  -6.212
  767    H    GLY 102           HN       GLY 102   6.863  -9.193  -9.193
  768   1HA   GLY 102           HA2      GLY 102   6.933 -11.755 -11.755
  769   2HA   GLY 102           HA1      GLY 102   7.873 -11.596 -11.596
  770    H    ARG 103           HN       ARG 103   6.852 -12.085 -12.085
  771    HA   ARG 103           HA       ARG 103   3.982 -11.677 -11.677
  772   1HB   ARG 103           HB2      ARG 103   4.842 -13.986 -13.986
  773   2HB   ARG 103           HB1      ARG 103   4.535 -14.522 -14.522
  774   1HG   ARG 103           HG2      ARG 103   2.283 -14.083 -14.083
  775   2HG   ARG 103           HG1      ARG 103   2.507 -12.713 -12.713
  776   1HD   ARG 103           HD2      ARG 103   1.430 -14.557 -14.557
  777   2HD   ARG 103           HD1      ARG 103   3.081 -14.342 -14.342
  778    HE   ARG 103           HE       ARG 103   2.481 -16.351 -16.351
  779   1HH1  ARG 103          HH21      ARG 103   5.236 -16.442 -16.442
  780   2HH1  ARG 103          HH22      ARG 103   5.473 -17.458 -17.458
  781   1HH2  ARG 103          HH11      ARG 103   2.185 -17.210 -17.210
  782   2HH2  ARG 103          HH12      ARG 103   3.745 -17.892 -17.892
  783    H    GLU 104           HN       GLU 104   6.288 -10.851 -10.851
  784    HA   GLU 104           HA       GLU 104   5.584 -11.976 -11.976
  785   1HB   GLU 104           HB1      GLU 104   8.054 -12.580 -12.580
  786   2HB   GLU 104           HB2      GLU 104   7.126 -13.668 -13.668
  787   1HG   GLU 104           HG1      GLU 104   8.201 -12.971 -12.971
  788   2HG   GLU 104           HG2      GLU 104   8.606 -11.391 -11.391
  789    H    ALA 105           HN       ALA 105   7.025 -10.944 -10.944
  790    HA   ALA 105           HA       ALA 105   6.868  -8.142  -8.142
  791   1HB   ALA 105           HB3      ALA 105   7.354  -9.917  -9.917
  792   2HB   ALA 105           HB2      ALA 105   9.045  -9.619  -9.619
  793   3HB   ALA 105           HB1      ALA 105   8.029  -8.298  -8.298
  794    H    ASP 106           HN       ASP 106   9.738 -10.163 -10.163
  795    HA   ASP 106           HA       ASP 106  11.610  -8.106  -8.106
  796   1HB   ASP 106           HB2      ASP 106  11.190 -10.910 -10.910
  797   2HB   ASP 106           HB1      ASP 106  12.557  -9.954  -9.954
  798    H    ASP 107           HN       ASP 107   9.183  -9.487  -9.487
  799    HA   ASP 107           HA       ASP 107  10.102  -8.223  -8.223
  800   1HB   ASP 107           HB1      ASP 107   7.535  -9.405  -9.405
  801   2HB   ASP 107           HB2      ASP 107   7.574  -8.626  -8.626
  802    H    ILE 108           HN       ILE 108   7.893  -7.159  -7.159
  803    HA   ILE 108           HA       ILE 108   6.947  -4.793  -4.793
  804    HB   ILE 108           HB       ILE 108   7.172  -5.548  -5.548
  805   1HG1  ILE 108          HG12      ILE 108   4.868  -5.774  -5.774
  806   2HG1  ILE 108          HG11      ILE 108   5.861  -7.122  -7.122
  807   1HG2  ILE 108          HG21      ILE 108   6.071  -3.189  -3.189
  808   2HG2  ILE 108          HG23      ILE 108   5.011  -3.905  -3.905
  809   3HG2  ILE 108          HG22      ILE 108   6.622  -3.347  -3.347
  810   1HD1  ILE 108          HD12      ILE 108   4.210  -5.324  -5.324
  811   2HD1  ILE 108          HD11      ILE 108   3.741  -6.945  -6.945
  812   3HD1  ILE 108          HD13      ILE 108   5.156  -6.722  -6.722
  813    H    VAL 109           HN       VAL 109   9.678  -5.451  -5.451
  814    HA   VAL 109           HA       VAL 109  10.471  -2.652  -2.652
  815    HB   VAL 109           HB       VAL 109  11.862  -5.300  -5.300
  816   1HG1  VAL 109          HG23      VAL 109  12.886  -2.607  -2.607
  817   2HG1  VAL 109          HG22      VAL 109  12.901  -3.210  -3.210
  818   3HG1  VAL 109          HG21      VAL 109  13.738  -4.102  -4.102
  819   1HG2  VAL 109          HG11      VAL 109   9.693  -4.334  -4.334
  820   2HG2  VAL 109          HG13      VAL 109  10.963  -5.225  -5.225
  821   3HG2  VAL 109          HG12      VAL 109  10.947  -3.463  -3.463
  822    H    ASN 110           HN       ASN 110  11.316  -5.414  -5.414
  823    HA   ASN 110           HA       ASN 110  13.609  -4.370  -4.370
  824   1HB   ASN 110           HB2      ASN 110  12.122  -6.660  -6.660
  825   2HB   ASN 110           HB1      ASN 110  11.660  -5.986  -5.986
  826   1HD2  ASN 110          HD22      ASN 110  15.156  -7.863  -7.863
  827   2HD2  ASN 110          HD21      ASN 110  13.874  -8.035  -8.035
  828    H    TRP 111           HN       TRP 111  10.174  -4.291  -4.291
  829    HA   TRP 111           HA       TRP 111  10.524  -2.660  -2.660
  830   1HB   TRP 111           HB2      TRP 111   8.527  -4.097  -4.097
  831   2HB   TRP 111           HB1      TRP 111   8.034  -2.478  -2.478
  832    HD1  TRP 111           HD1      TRP 111   8.867  -4.488  -4.488
  833    HE1  TRP 111           HE1      TRP 111   7.652  -3.397  -3.397
  834    HE3  TRP 111           HE3      TRP 111   6.891  -0.383  -0.383
  835    HZ2  TRP 111           HZ2      TRP 111   6.054  -1.088  -1.088
  836    HZ3  TRP 111           HZ3      TRP 111   5.528   1.243   1.243
  837    HH2  TRP 111           HH2      TRP 111   5.107   0.896   0.896
  838    H    LEU 112           HN       LEU 112  10.102  -1.925  -1.925
  839    HA   LEU 112           HA       LEU 112   9.614   0.914   0.914
  840   1HB   LEU 112           HB1      LEU 112  10.038  -1.085  -1.085
  841   2HB   LEU 112           HB2      LEU 112  10.675   0.507   0.507
  842    HG   LEU 112           HG       LEU 112   8.459   1.492   1.492
  843   1HD1  LEU 112          HD11      LEU 112   8.080  -1.093  -1.093
  844   2HD1  LEU 112          HD13      LEU 112   6.948  -0.957  -0.957
  845   3HD1  LEU 112          HD12      LEU 112   6.912   0.227   0.227
  846   1HD2  LEU 112          HD21      LEU 112   8.701  -0.538  -0.538
  847   2HD2  LEU 112          HD23      LEU 112   8.724   1.221   1.221
  848   3HD2  LEU 112          HD22      LEU 112   7.210   0.377   0.377
  849    H    LYS 113           HN       LYS 113  12.522  -1.034  -1.034
  850    HA   LYS 113           HA       LYS 113  14.218   1.392   1.392
  851   1HB   LYS 113           HB2      LYS 113  15.942  -0.152  -0.152
  852   2HB   LYS 113           HB1      LYS 113  14.467  -0.426  -0.426
  853   1HG   LYS 113           HG2      LYS 113  14.023  -2.173  -2.173
  854   2HG   LYS 113           HG1      LYS 113  15.786  -2.170  -2.170
  855   1HD   LYS 113           HD2      LYS 113  14.766  -2.283  -2.283
  856   2HD   LYS 113           HD1      LYS 113  14.175  -3.631  -3.631
  857   1HE   LYS 113           HE2      LYS 113  16.198  -4.574  -4.574
  858   2HE   LYS 113           HE1      LYS 113  16.814  -3.536  -3.536
  859   1HZ   LYS 113           HZ3      LYS 113  17.113  -1.757  -1.757
  860   2HZ   LYS 113           HZ2      LYS 113  16.581  -2.787  -2.787
  861   3HZ   LYS 113           HZ1      LYS 113  18.029  -3.121  -3.121
  862    H    LYS 114           HN       LYS 114  12.983  -0.758  -0.758
  863    HA   LYS 114           HA       LYS 114  15.145  -1.410  -1.410
  864   1HB   LYS 114           HB2      LYS 114  12.345  -1.482  -1.482
  865   2HB   LYS 114           HB1      LYS 114  12.759  -0.529  -0.529
  866   1HG   LYS 114           HG2      LYS 114  14.561  -2.475  -2.475
  867   2HG   LYS 114           HG1      LYS 114  13.369  -3.386  -3.386
  868   1HD   LYS 114           HD2      LYS 114  11.682  -3.063  -3.063
  869   2HD   LYS 114           HD1      LYS 114  12.544  -1.723  -1.723
  870   1HE   LYS 114           HE2      LYS 114  14.167  -4.144  -4.144
  871   2HE   LYS 114           HE1      LYS 114  12.616  -4.392  -4.392
  872   1HZ   LYS 114           HZ3      LYS 114  14.362  -2.027  -2.027
  873   2HZ   LYS 114           HZ2      LYS 114  14.360  -3.391  -3.391
  874   3HZ   LYS 114           HZ1      LYS 114  12.964  -2.433  -2.433
  875    H    ARG 115           HN       ARG 115  13.377   1.650   1.650
  876    HA   ARG 115           HA       ARG 115  15.162   2.881   2.881
  877   1HB   ARG 115           HB2      ARG 115  12.366   3.071   3.071
  878   2HB   ARG 115           HB1      ARG 115  13.128   4.662   4.662
  879   1HG   ARG 115           HG2      ARG 115  13.669   4.544   4.544
  880   2HG   ARG 115           HG1      ARG 115  13.597   2.781   2.781
  881   1HD   ARG 115           HD2      ARG 115  11.234   2.754   2.754
  882   2HD   ARG 115           HD1      ARG 115  11.118   4.422   4.422
  883    HE   ARG 115           HE       ARG 115  11.411   5.152   5.152
  884   1HH1  ARG 115          HH21      ARG 115  13.983   4.445   4.445
  885   2HH1  ARG 115          HH22      ARG 115  13.800   3.129   3.129
  886   1HH2  ARG 115          HH11      ARG 115  10.571   2.375   2.375
  887   2HH2  ARG 115          HH12      ARG 115  11.868   1.958   1.958
  888    H    THR 116           HN       THR 116  14.408   2.842   2.842
  889    HA   THR 116           HA       THR 116  16.271   5.161   5.161
  890    HB   THR 116           HB       THR 116  14.822   5.570   5.570
  891    HG1  THR 116           HG1      THR 116  13.903   3.482   3.482
  892   1HG2  THR 116          HG21      THR 116  13.654   5.710   5.710
  893   2HG2  THR 116          HG23      THR 116  12.879   6.457   6.457
  894   3HG2  THR 116          HG22      THR 116  14.482   6.988   6.988
  895    H    GLY 117           HN       GLY 117  17.364   2.625   2.625
  896   1HA   GLY 117           HA1      GLY 117  17.885   2.038   2.038
  897   2HA   GLY 117           HA2      GLY 117  17.715   0.739   0.739
  898    HA   PRO 118           HA       PRO 118  22.164   2.187   2.187
  899   1HB   PRO 118           HB2      PRO 118  23.251  -0.157  -0.157
  900   2HB   PRO 118           HB1      PRO 118  22.671   1.122   1.122
  901   1HG   PRO 118           HG2      PRO 118  21.364  -1.430  -1.430
  902   2HG   PRO 118           HG1      PRO 118  21.367  -0.610  -0.610
  903   1HD   PRO 118           HD2      PRO 118  19.271  -0.529  -0.529
  904   2HD   PRO 118           HD1      PRO 118  19.611   0.741   0.741
  905    H    ALA 119           HN       ALA 119  20.485  -0.636  -0.636
  906    HA   ALA 119           HA       ALA 119  22.039  -0.520  -0.520
  907   1HB   ALA 119           HB3      ALA 119  22.379  -2.561  -2.561
  908   2HB   ALA 119           HB2      ALA 119  22.360  -3.156  -3.156
  909   3HB   ALA 119           HB1      ALA 119  23.554  -1.955  -1.955
  910    H    ALA 120           HN       ALA 120  21.254  -2.793  -2.793
  911    HA   ALA 120           HA       ALA 120  18.392  -2.413  -2.413
  912   1HB   ALA 120           HB2      ALA 120  20.674  -3.724  -3.724
  913   2HB   ALA 120           HB1      ALA 120  19.245  -4.758  -4.758
  914   3HB   ALA 120           HB3      ALA 120  19.186  -3.142  -3.142

  Start of MODEL    3
    1   1H    ASP   1           HT1      ASP   1  -6.947  12.951  12.951
    2   2H    ASP   1           HT3      ASP   1  -5.395  13.497  13.497
    3   3H    ASP   1           HT2      ASP   1  -6.754  14.125  14.125
    4    HA   ASP   1           HA       ASP   1  -7.174  12.064  12.064
    5   1HB   ASP   1           HB1      ASP   1  -4.211  12.705  12.705
    6   2HB   ASP   1           HB2      ASP   1  -5.428  13.692  13.692
    7    H    ALA   2           HN       ALA   2  -4.094  11.706  11.706
    8    HA   ALA   2           HA       ALA   2  -3.135   9.804   9.804
    9   1HB   ALA   2           HB1      ALA   2  -5.889  10.130  10.130
   10   2HB   ALA   2           HB3      ALA   2  -5.534   8.404   8.404
   11   3HB   ALA   2           HB2      ALA   2  -4.573   9.451   9.451
   12    HA   PRO   3           HA       PRO   3  -3.734   7.162   7.162
   13   1HB   PRO   3           HB2      PRO   3  -1.097   6.498   6.498
   14   2HB   PRO   3           HB1      PRO   3  -1.790   7.991   7.991
   15   1HG   PRO   3           HG2      PRO   3  -0.158   7.567   7.567
   16   2HG   PRO   3           HG1      PRO   3  -0.174   8.933   8.933
   17   1HD   PRO   3           HD2      PRO   3  -1.405   8.919   8.919
   18   2HD   PRO   3           HD1      PRO   3  -1.851   9.988   9.988
   19    H    GLU   4           HN       GLU   4  -3.983   4.913   4.913
   20    HA   GLU   4           HA       GLU   4  -3.145   3.529   3.529
   21   1HB   GLU   4           HB1      GLU   4  -5.581   3.788   3.788
   22   2HB   GLU   4           HB2      GLU   4  -5.066   2.406   2.406
   23   1HG   GLU   4           HG2      GLU   4  -5.652   2.573   2.573
   24   2HG   GLU   4           HG1      GLU   4  -5.821   1.209   1.209
   25    H    GLU   5           HN       GLU   5  -2.687   1.093   1.093
   26    HA   GLU   5           HA       GLU   5  -1.601   0.351   0.351
   27   1HB   GLU   5           HB1      GLU   5   0.750   0.240   0.240
   28   2HB   GLU   5           HB2      GLU   5   0.120   1.888   1.888
   29   1HG   GLU   5           HG2      GLU   5  -0.401   1.784   1.784
   30   2HG   GLU   5           HG1      GLU   5   0.112   0.098   0.098
   31    H    GLU   6           HN       GLU   6  -1.162  -1.911  -1.911
   32    HA   GLU   6           HA       GLU   6  -2.078  -3.430  -3.430
   33   1HB   GLU   6           HB2      GLU   6  -1.993  -3.798  -3.798
   34   2HB   GLU   6           HB1      GLU   6  -1.899  -5.253  -5.253
   35   1HG   GLU   6           HG2      GLU   6  -4.038  -3.122  -3.122
   36   2HG   GLU   6           HG1      GLU   6  -4.249  -4.632  -4.632
   37    H    ASP   7           HN       ASP   7   0.117  -4.561  -4.561
   38    HA   ASP   7           HA       ASP   7   2.208  -5.032  -5.032
   39   1HB   ASP   7           HB2      ASP   7   0.948  -6.746  -6.746
   40   2HB   ASP   7           HB1      ASP   7   2.652  -7.018  -7.018
   41    H    HIS   8           HN       HIS   8   3.457  -3.174  -3.174
   42    HA   HIS   8           HA       HIS   8   4.986  -1.938  -1.938
   43   1HB   HIS   8           HB1      HIS   8   5.182  -4.686  -4.686
   44   2HB   HIS   8           HB2      HIS   8   6.376  -3.400  -3.400
   45    HD1  HIS   8           HD1      HIS   8   7.085  -6.131  -6.131
   46    HD2  HIS   8           HD2      HIS   8   5.921  -2.711  -2.711
   47    HE1  HIS   8           HE1      HIS   8   7.978  -6.387  -6.387
   48    H    VAL   9           HN       VAL   9   2.078  -2.335  -2.335
   49    HA   VAL   9           HA       VAL   9   2.468  -1.484  -1.484
   50    HB   VAL   9           HB       VAL   9   0.420  -3.355  -3.355
   51   1HG1  VAL   9          HG12      VAL   9   0.642  -2.255  -2.255
   52   2HG1  VAL   9          HG11      VAL   9  -0.415  -3.585  -3.585
   53   3HG1  VAL   9          HG13      VAL   9  -0.676  -1.974  -1.974
   54   1HG2  VAL   9          HG22      VAL   9   2.984  -3.824  -3.824
   55   2HG2  VAL   9          HG21      VAL   9   1.728  -5.033  -5.033
   56   3HG2  VAL   9          HG23      VAL   9   1.895  -4.273  -4.273
   57    H    LEU  10           HN       LEU  10   0.600  -0.111  -0.111
   58    HA   LEU  10           HA       LEU  10  -0.595   1.424   1.424
   59   1HB   LEU  10           HB1      LEU  10   0.992   2.120   2.120
   60   2HB   LEU  10           HB2      LEU  10  -0.605   2.828   2.828
   61    HG   LEU  10           HG       LEU  10   0.114   3.205   3.205
   62   1HD1  LEU  10          HD11      LEU  10   2.437   2.891   2.891
   63   2HD1  LEU  10          HD13      LEU  10   2.147   4.598   4.598
   64   3HD1  LEU  10          HD12      LEU  10   2.254   4.038   4.038
   65   1HD2  LEU  10          HD21      LEU  10  -1.153   4.568   4.568
   66   2HD2  LEU  10          HD23      LEU  10  -0.709   5.276   5.276
   67   3HD2  LEU  10          HD22      LEU  10   0.346   5.487   5.487
   68    H    VAL  11           HN       VAL  11  -2.787   2.131   2.131
   69    HA   VAL  11           HA       VAL  11  -4.364   0.644   0.644
   70    HB   VAL  11           HB       VAL  11  -4.734  -0.093  -0.093
   71   1HG1  VAL  11          HG23      VAL  11  -4.525   2.750   2.750
   72   2HG1  VAL  11          HG22      VAL  11  -6.032   2.128   2.128
   73   3HG1  VAL  11          HG21      VAL  11  -4.491   1.422   1.422
   74   1HG2  VAL  11          HG11      VAL  11  -6.680   0.612   0.612
   75   2HG2  VAL  11          HG13      VAL  11  -6.991  -0.226  -0.226
   76   3HG2  VAL  11          HG12      VAL  11  -7.177   1.525   1.525
   77    H    LEU  12           HN       LEU  12  -5.974   1.852   1.852
   78    HA   LEU  12           HA       LEU  12  -5.759   4.822   4.822
   79   1HB   LEU  12           HB1      LEU  12  -5.409   3.151   3.151
   80   2HB   LEU  12           HB2      LEU  12  -7.038   3.762   3.762
   81    HG   LEU  12           HG       LEU  12  -6.216   6.070   6.070
   82   1HD1  LEU  12          HD11      LEU  12  -3.837   4.647   4.647
   83   2HD1  LEU  12          HD13      LEU  12  -3.462   5.894   5.894
   84   3HD1  LEU  12          HD12      LEU  12  -4.336   6.314   6.314
   85   1HD2  LEU  12          HD23      LEU  12  -5.071   4.189   4.189
   86   2HD2  LEU  12          HD22      LEU  12  -6.169   5.550   5.550
   87   3HD2  LEU  12          HD21      LEU  12  -4.448   5.840   5.840
   88    H    ARG  13           HN       ARG  13  -7.881   5.686   5.686
   89    HA   ARG  13           HA       ARG  13 -10.370   4.372   4.372
   90   1HB   ARG  13           HB2      ARG  13  -9.052   5.782   5.782
   91   2HB   ARG  13           HB1      ARG  13  -9.970   7.091   7.091
   92   1HG   ARG  13           HG2      ARG  13 -11.991   6.249   6.249
   93   2HG   ARG  13           HG1      ARG  13 -11.453   4.574   4.574
   94   1HD   ARG  13           HD2      ARG  13 -11.663   4.968   4.968
   95   2HD   ARG  13           HD1      ARG  13  -9.926   5.123   5.123
   96    HE   ARG  13           HE       ARG  13 -11.441   7.621   7.621
   97   1HH1  ARG  13          HH21      ARG  13 -10.518   5.566   5.566
   98   2HH1  ARG  13          HH22      ARG  13  -9.717   6.794   6.794
   99   1HH2  ARG  13          HH11      ARG  13 -10.035   9.218   9.218
  100   2HH2  ARG  13          HH12      ARG  13  -9.443   8.862   8.862
  101    H    LYS  14           HN       LYS  14 -12.267   5.978   5.978
  102    HA   LYS  14           HA       LYS  14 -12.299   6.740   6.740
  103   1HB   LYS  14           HB2      LYS  14 -13.821   7.667   7.667
  104   2HB   LYS  14           HB1      LYS  14 -14.263   8.173   8.173
  105   1HG   LYS  14           HG2      LYS  14 -14.502   5.807   5.807
  106   2HG   LYS  14           HG1      LYS  14 -14.061   5.302   5.302
  107   1HD   LYS  14           HD2      LYS  14 -16.191   5.556   5.556
  108   2HD   LYS  14           HD1      LYS  14 -16.160   7.250   7.250
  109   1HE   LYS  14           HE2      LYS  14 -16.668   6.525   6.525
  110   2HE   LYS  14           HE1      LYS  14 -16.847   4.864   4.864
  111   1HZ   LYS  14           HZ1      LYS  14 -18.263   7.112   7.112
  112   2HZ   LYS  14           HZ3      LYS  14 -18.928   6.335   6.335
  113   3HZ   LYS  14           HZ2      LYS  14 -18.621   5.452   5.452
  114    H    SER  15           HN       SER  15 -11.605   8.809   8.809
  115    HA   SER  15           HA       SER  15 -10.865  11.030  11.030
  116   1HB   SER  15           HB2      SER  15 -11.873  10.701  10.701
  117   2HB   SER  15           HB1      SER  15 -10.730  12.025  12.025
  118    HG   SER  15           HG       SER  15 -12.049  12.889  12.889
  119    H    ASN  16           HN       ASN  16  -9.314   8.493   8.493
  120    HA   ASN  16           HA       ASN  16  -6.944   9.972   9.972
  121   1HB   ASN  16           HB1      ASN  16  -8.063   7.247   7.247
  122   2HB   ASN  16           HB2      ASN  16  -6.306   7.297   7.297
  123   1HD2  ASN  16          HD22      ASN  16  -6.980   7.381   7.381
  124   2HD2  ASN  16          HD21      ASN  16  -7.070   6.260   6.260
  125    H    PHE  17           HN       PHE  17  -7.981   8.199   8.199
  126    HA   PHE  17           HA       PHE  17  -5.536   7.609   7.609
  127   1HB   PHE  17           HB2      PHE  17  -7.910   7.070   7.070
  128   2HB   PHE  17           HB1      PHE  17  -8.021   8.712   8.712
  129    HD1  PHE  17           HD2      PHE  17  -6.058   9.452   9.452
  130    HD2  PHE  17           HD1      PHE  17  -7.097   5.373   5.373
  131    HE1  PHE  17           HE2      PHE  17  -4.913   8.726   8.726
  132    HE2  PHE  17           HE1      PHE  17  -5.957   4.647   4.647
  133    HZ   PHE  17           HZ       PHE  17  -4.849   6.334   6.334
  134    H    ALA  18           HN       ALA  18  -7.465  10.501  10.501
  135    HA   ALA  18           HA       ALA  18  -5.386  11.882  11.882
  136   1HB   ALA  18           HB2      ALA  18  -8.014  12.458  12.458
  137   2HB   ALA  18           HB1      ALA  18  -6.961  13.862  13.862
  138   3HB   ALA  18           HB3      ALA  18  -7.402  12.901  12.901
  139    H    GLU  19           HN       GLU  19  -5.953  11.422  11.422
  140    HA   GLU  19           HA       GLU  19  -4.319  13.674  13.674
  141   1HB   GLU  19           HB2      GLU  19  -6.263  12.549  12.549
  142   2HB   GLU  19           HB1      GLU  19  -5.203  11.172  11.172
  143   1HG   GLU  19           HG2      GLU  19  -4.812  14.010  14.010
  144   2HG   GLU  19           HG1      GLU  19  -5.105  12.574  12.574
  145    H    ALA  20           HN       ALA  20  -3.935  10.119  10.119
  146    HA   ALA  20           HA       ALA  20  -1.314   9.964   9.964
  147   1HB   ALA  20           HB1      ALA  20  -3.256   8.278   8.278
  148   2HB   ALA  20           HB3      ALA  20  -1.905   8.081   8.081
  149   3HB   ALA  20           HB2      ALA  20  -1.679   7.768   7.768
  150    H    LEU  21           HN       LEU  21  -2.386  10.481  10.481
  151    HA   LEU  21           HA       LEU  21   0.191  10.331  10.331
  152   1HB   LEU  21           HB2      LEU  21  -2.295  11.905  11.905
  153   2HB   LEU  21           HB1      LEU  21  -0.983  11.485  11.485
  154    HG   LEU  21           HG       LEU  21  -2.815   9.544   9.544
  155   1HD1  LEU  21          HD13      LEU  21  -2.807  10.812  10.812
  156   2HD1  LEU  21          HD12      LEU  21  -2.880   9.050   9.050
  157   3HD1  LEU  21          HD11      LEU  21  -4.102   9.944   9.944
  158   1HD2  LEU  21          HD21      LEU  21  -0.248   9.192   9.192
  159   2HD2  LEU  21          HD23      LEU  21  -0.868   8.305   8.305
  160   3HD2  LEU  21          HD22      LEU  21  -1.512   7.979   7.979
  161    H    ALA  22           HN       ALA  22  -1.681  13.123  13.123
  162    HA   ALA  22           HA       ALA  22   0.286  15.113  15.113
  163   1HB   ALA  22           HB1      ALA  22  -2.176  14.847  14.847
  164   2HB   ALA  22           HB3      ALA  22  -1.129  16.223  16.223
  165   3HB   ALA  22           HB2      ALA  22  -1.803  16.010  16.010
  166    H    ALA  23           HN       ALA  23  -0.188  13.027  13.027
  167    HA   ALA  23           HA       ALA  23   1.482  14.364  14.364
  168   1HB   ALA  23           HB1      ALA  23  -0.119  12.330  12.330
  169   2HB   ALA  23           HB3      ALA  23   1.270  11.367  11.367
  170   3HB   ALA  23           HB2      ALA  23   1.343  12.312  12.312
  171    H    HIS  24           HN       HIS  24   2.334  11.650  11.650
  172    HA   HIS  24           HA       HIS  24   5.189  12.568  12.568
  173   1HB   HIS  24           HB1      HIS  24   4.172  10.274  10.274
  174   2HB   HIS  24           HB2      HIS  24   4.499   9.743   9.743
  175    HD1  HIS  24           HD1      HIS  24   7.004  11.928  11.928
  176    HD2  HIS  24           HD2      HIS  24   6.465   8.678   8.678
  177    HE1  HIS  24           HE1      HIS  24   9.302  11.307  11.307
  178    H    LYS  25           HN       LYS  25   6.034  10.666  10.666
  179    HA   LYS  25           HA       LYS  25   4.807  11.932  11.932
  180   1HB   LYS  25           HB2      LYS  25   7.497  11.553  11.553
  181   2HB   LYS  25           HB1      LYS  25   7.323  10.771  10.771
  182   1HG   LYS  25           HG1      LYS  25   7.167  12.756  12.756
  183   2HG   LYS  25           HG2      LYS  25   6.038  13.402  13.402
  184   1HD   LYS  25           HD2      LYS  25   8.874  13.063  13.063
  185   2HD   LYS  25           HD1      LYS  25   8.524  14.375  14.375
  186   1HE   LYS  25           HE2      LYS  25   7.116  15.480  15.480
  187   2HE   LYS  25           HE1      LYS  25   6.806  14.002  14.002
  188   1HZ   LYS  25           HZ1      LYS  25   9.148  13.964  13.964
  189   2HZ   LYS  25           HZ3      LYS  25   9.418  15.407  15.407
  190   3HZ   LYS  25           HZ2      LYS  25   8.405  15.402  15.402
  191    H    TYR  26           HN       TYR  26   6.718   8.978   8.978
  192    HA   TYR  26           HA       TYR  26   5.268   7.472   7.472
  193   1HB   TYR  26           HB2      TYR  26   7.244   6.559   6.559
  194   2HB   TYR  26           HB1      TYR  26   6.846   5.718   5.718
  195    HD1  TYR  26           HD2      TYR  26   6.801   7.822   7.822
  196    HD2  TYR  26           HD1      TYR  26   9.469   7.285   7.285
  197    HE1  TYR  26           HE2      TYR  26   8.552   9.109   9.109
  198    HE2  TYR  26           HE1      TYR  26  11.220   8.571   8.571
  199    HH   TYR  26           HH       TYR  26  11.177  10.418  10.418
  200    H    LEU  27           HN       LEU  27   3.111   7.130   7.130
  201    HA   LEU  27           HA       LEU  27   2.711   5.798   5.798
  202   1HB   LEU  27           HB1      LEU  27   1.131   7.720   7.720
  203   2HB   LEU  27           HB2      LEU  27   0.275   6.655   6.655
  204    HG   LEU  27           HG       LEU  27   0.803   8.800   8.800
  205   1HD1  LEU  27          HD11      LEU  27   1.008   6.442   6.442
  206   2HD1  LEU  27          HD13      LEU  27   2.727   6.833   6.833
  207   3HD1  LEU  27          HD12      LEU  27   1.559   7.882   7.882
  208   1HD2  LEU  27          HD22      LEU  27   3.006   8.876   8.876
  209   2HD2  LEU  27          HD21      LEU  27   2.904   9.747   9.747
  210   3HD2  LEU  27          HD23      LEU  27   3.723   8.186   8.186
  211    H    LEU  28           HN       LEU  28   2.581   3.610   3.610
  212    HA   LEU  28           HA       LEU  28   1.428   2.605   2.605
  213   1HB   LEU  28           HB2      LEU  28   3.440   1.819   1.819
  214   2HB   LEU  28           HB1      LEU  28   2.129   0.730   0.730
  215    HG   LEU  28           HG       LEU  28   3.562  -0.205  -0.205
  216   1HD1  LEU  28          HD21      LEU  28   0.743  -0.032  -0.032
  217   2HD1  LEU  28          HD23      LEU  28   1.176   0.138   0.138
  218   3HD1  LEU  28          HD22      LEU  28   1.706  -1.278  -1.278
  219   1HD2  LEU  28          HD13      LEU  28   3.880   2.203   2.203
  220   2HD2  LEU  28          HD12      LEU  28   3.806   0.833   0.833
  221   3HD2  LEU  28          HD11      LEU  28   2.388   1.858   1.858
  222    H    VAL  29           HN       VAL  29  -0.643   1.861   1.861
  223    HA   VAL  29           HA       VAL  29  -2.206   1.480   1.480
  224    HB   VAL  29           HB       VAL  29  -3.130   2.548   2.548
  225   1HG1  VAL  29          HG23      VAL  29  -4.439   2.019   2.019
  226   2HG1  VAL  29          HG22      VAL  29  -5.006   3.373   3.373
  227   3HG1  VAL  29          HG21      VAL  29  -5.057   1.734   1.734
  228   1HG2  VAL  29          HG11      VAL  29  -2.086   3.872   3.872
  229   2HG2  VAL  29          HG13      VAL  29  -1.809   4.294   4.294
  230   3HG2  VAL  29          HG12      VAL  29  -3.353   4.676   4.676
  231    H    GLU  30           HN       GLU  30  -3.367  -0.418  -0.418
  232    HA   GLU  30           HA       GLU  30  -3.468  -2.156  -2.156
  233   1HB   GLU  30           HB1      GLU  30  -1.771  -2.917  -2.917
  234   2HB   GLU  30           HB2      GLU  30  -2.932  -2.838  -2.838
  235   1HG   GLU  30           HG2      GLU  30  -4.307  -4.571  -4.571
  236   2HG   GLU  30           HG1      GLU  30  -3.141  -4.653  -4.653
  237    H    PHE  31           HN       PHE  31  -5.561  -2.630  -2.630
  238    HA   PHE  31           HA       PHE  31  -7.722  -2.131  -2.131
  239   1HB   PHE  31           HB1      PHE  31  -7.486  -2.581  -2.581
  240   2HB   PHE  31           HB2      PHE  31  -9.059  -2.633  -2.633
  241    HD1  PHE  31           HD1      PHE  31  -9.865  -0.626  -0.626
  242    HD2  PHE  31           HD2      PHE  31  -6.356  -0.514  -0.514
  243    HE1  PHE  31           HE1      PHE  31  -9.944   1.853   1.853
  244    HE2  PHE  31           HE2      PHE  31  -6.436   1.965   1.965
  245    HZ   PHE  31           HZ       PHE  31  -8.230   3.148   3.148
  246    H    TYR  32           HN       TYR  32  -8.570  -3.825  -3.825
  247    HA   TYR  32           HA       TYR  32  -8.755  -6.499  -6.499
  248   1HB   TYR  32           HB2      TYR  32  -7.548  -7.566  -7.566
  249   2HB   TYR  32           HB1      TYR  32  -6.553  -6.225  -6.225
  250    HD1  TYR  32           HD2      TYR  32  -6.363  -4.145  -4.145
  251    HD2  TYR  32           HD1      TYR  32  -8.601  -7.531  -7.531
  252    HE1  TYR  32           HE2      TYR  32  -6.392  -3.181  -3.181
  253    HE2  TYR  32           HE1      TYR  32  -8.629  -6.570  -6.570
  254    HH   TYR  32           HH       TYR  32  -7.033  -3.456  -3.456
  255    H    ALA  33           HN       ALA  33 -10.063  -8.009  -8.009
  256    HA   ALA  33           HA       ALA  33 -12.044  -6.411  -6.411
  257   1HB   ALA  33           HB1      ALA  33 -12.482  -7.523  -7.523
  258   2HB   ALA  33           HB3      ALA  33 -12.947  -8.862  -8.862
  259   3HB   ALA  33           HB2      ALA  33 -13.750  -7.300  -7.300
  260    HA   PRO  34           HA       PRO  34 -11.401  -9.398  -9.398
  261   1HB   PRO  34           HB1      PRO  34 -13.922  -9.664  -9.664
  262   2HB   PRO  34           HB2      PRO  34 -12.902  -8.239  -8.239
  263   1HG   PRO  34           HG2      PRO  34 -15.140  -8.633  -8.633
  264   2HG   PRO  34           HG1      PRO  34 -14.757  -7.224  -7.224
  265   1HD   PRO  34           HD1      PRO  34 -14.145  -7.350  -7.350
  266   2HD   PRO  34           HD2      PRO  34 -13.161  -6.449  -6.449
  267    H    TRP  35           HN       TRP  35 -13.659  -9.982  -9.982
  268    HA   TRP  35           HA       TRP  35 -13.773 -12.894 -12.894
  269   1HB   TRP  35           HB1      TRP  35 -15.706 -12.870 -12.870
  270   2HB   TRP  35           HB2      TRP  35 -15.902 -11.664 -11.664
  271    HD1  TRP  35           HD1      TRP  35 -15.814  -9.127  -9.127
  272    HE1  TRP  35           HE1      TRP  35 -15.880  -7.908  -7.908
  273    HE3  TRP  35           HE3      TRP  35 -14.965 -13.064 -13.064
  274    HZ2  TRP  35           HZ2      TRP  35 -15.612  -8.523  -8.523
  275    HZ3  TRP  35           HZ3      TRP  35 -14.879 -12.721 -12.721
  276    HH2  TRP  35           HH2      TRP  35 -15.200 -10.457 -10.457
  277    H    CYS  36           HN       CYS  36 -11.858 -10.853 -10.853
  278    HA   CYS  36           HA       CYS  36 -11.737 -11.862 -11.862
  279   1HB   CYS  36           HB2      CYS  36 -10.536  -9.900  -9.900
  280   2HB   CYS  36           HB1      CYS  36  -9.510 -10.981 -10.981
  281    H    GLY  37           HN       GLY  37 -10.077 -13.400 -13.400
  282   1HA   GLY  37           HA2      GLY  37  -9.567 -15.646 -15.646
  283   2HA   GLY  37           HA1      GLY  37  -9.960 -15.899 -15.899
  284    H    HIS  38           HN       HIS  38  -8.310 -13.966 -13.966
  285    HA   HIS  38           HA       HIS  38  -5.690 -15.286 -15.286
  286   1HB   HIS  38           HB2      HIS  38  -6.941 -13.216 -13.216
  287   2HB   HIS  38           HB1      HIS  38  -5.234 -13.644 -13.644
  288    HD1  HIS  38           HD1      HIS  38  -8.099 -14.420 -14.420
  289    HD2  HIS  38           HD2      HIS  38  -5.313 -16.861 -16.861
  290    HE1  HIS  38           HE1      HIS  38  -8.327 -16.719 -16.719
  291    H    CYS  39           HN       CYS  39  -7.027 -13.008 -13.008
  292    HA   CYS  39           HA       CYS  39  -4.816 -11.047 -11.047
  293   1HB   CYS  39           HB2      CYS  39  -7.345 -11.404 -11.404
  294   2HB   CYS  39           HB1      CYS  39  -6.229 -10.053 -10.053
  295    H    LYS  40           HN       LYS  40  -5.926 -13.817 -13.817
  296    HA   LYS  40           HA       LYS  40  -4.305 -13.409 -13.409
  297   1HB   LYS  40           HB2      LYS  40  -4.827 -15.781 -15.781
  298   2HB   LYS  40           HB1      LYS  40  -6.258 -14.948 -14.948
  299   1HG   LYS  40           HG1      LYS  40  -5.588 -15.722 -15.722
  300   2HG   LYS  40           HG2      LYS  40  -4.373 -16.739 -16.739
  301   1HD   LYS  40           HD2      LYS  40  -7.046 -16.978 -16.978
  302   2HD   LYS  40           HD1      LYS  40  -6.985 -17.489 -17.489
  303   1HE   LYS  40           HE2      LYS  40  -5.276 -19.110 -19.110
  304   2HE   LYS  40           HE1      LYS  40  -4.980 -18.443 -18.443
  305   1HZ   LYS  40           HZ1      LYS  40  -7.627 -19.467 -19.467
  306   2HZ   LYS  40           HZ3      LYS  40  -6.482 -20.444 -20.444
  307   3HZ   LYS  40           HZ2      LYS  40  -7.120 -19.084 -19.084
  308    H    ALA  41           HN       ALA  41  -3.654 -14.681 -14.681
  309    HA   ALA  41           HA       ALA  41  -1.104 -15.933 -15.933
  310   1HB   ALA  41           HB2      ALA  41  -2.475 -15.170 -15.170
  311   2HB   ALA  41           HB1      ALA  41  -0.962 -16.073 -16.073
  312   3HB   ALA  41           HB3      ALA  41  -2.436 -16.766 -16.766
  313    H    LEU  42           HN       LEU  42  -2.197 -12.811 -12.811
  314    HA   LEU  42           HA       LEU  42   0.594 -11.891 -11.891
  315   1HB   LEU  42           HB2      LEU  42  -1.210 -11.426 -11.426
  316   2HB   LEU  42           HB1      LEU  42  -2.110 -10.563 -10.563
  317    HG   LEU  42           HG       LEU  42   0.032  -9.124  -9.124
  318   1HD1  LEU  42          HD13      LEU  42   0.497 -10.479 -10.479
  319   2HD1  LEU  42          HD12      LEU  42   1.301  -8.985  -8.985
  320   3HD1  LEU  42          HD11      LEU  42   1.575 -10.469 -10.469
  321   1HD2  LEU  42          HD23      LEU  42  -1.717  -9.025  -9.025
  322   2HD2  LEU  42          HD22      LEU  42  -2.005  -8.206  -8.206
  323   3HD2  LEU  42          HD21      LEU  42  -0.660  -7.708  -7.708
  324    H    ALA  43           HN       ALA  43  -1.977 -11.699 -11.699
  325    HA   ALA  43           HA       ALA  43  -1.555  -9.290  -9.290
  326   1HB   ALA  43           HB2      ALA  43  -2.614 -11.943 -11.943
  327   2HB   ALA  43           HB1      ALA  43  -1.878 -11.269 -11.269
  328   3HB   ALA  43           HB3      ALA  43  -3.163 -10.388 -10.388
  329    HA   PRO  44           HA       PRO  44   2.002 -11.196 -11.196
  330   1HB   PRO  44           HB1      PRO  44   3.025 -13.619 -13.619
  331   2HB   PRO  44           HB2      PRO  44   1.687 -13.444 -13.444
  332   1HG   PRO  44           HG2      PRO  44   1.637 -14.173 -14.173
  333   2HG   PRO  44           HG1      PRO  44   0.630 -14.760 -14.760
  334   1HD   PRO  44           HD1      PRO  44  -0.176 -12.901 -12.901
  335   2HD   PRO  44           HD2      PRO  44  -0.870 -13.061 -13.061
  336    H    GLU  45           HN       GLU  45   1.841 -10.940 -10.940
  337    HA   GLU  45           HA       GLU  45   4.805 -10.914 -10.914
  338   1HB   GLU  45           HB2      GLU  45   2.448 -10.805 -10.805
  339   2HB   GLU  45           HB1      GLU  45   4.135 -10.761 -10.761
  340   1HG   GLU  45           HG1      GLU  45   3.013 -12.981 -12.981
  341   2HG   GLU  45           HG2      GLU  45   3.031 -13.061 -13.061
  342    H    TYR  46           HN       TYR  46   1.950  -8.898  -8.898
  343    HA   TYR  46           HA       TYR  46   3.378  -6.504  -6.504
  344   1HB   TYR  46           HB2      TYR  46   1.197  -6.422  -6.422
  345   2HB   TYR  46           HB1      TYR  46   0.620  -7.437  -7.437
  346    HD1  TYR  46           HD2      TYR  46   1.685  -3.976  -3.976
  347    HD2  TYR  46           HD1      TYR  46  -0.411  -6.486  -6.486
  348    HE1  TYR  46           HE2      TYR  46   0.818  -1.969  -1.969
  349    HE2  TYR  46           HE1      TYR  46  -1.286  -4.474  -4.474
  350    HH   TYR  46           HH       TYR  46  -1.683  -2.150  -2.150
  351    H    ALA  47           HN       ALA  47   2.736  -8.127  -8.127
  352    HA   ALA  47           HA       ALA  47   3.188  -5.672  -5.672
  353   1HB   ALA  47           HB3      ALA  47   1.390  -7.271  -7.271
  354   2HB   ALA  47           HB2      ALA  47   2.588  -8.554  -8.554
  355   3HB   ALA  47           HB1      ALA  47   2.588  -7.192  -7.192
  356    H    LYS  48           HN       LYS  48   4.878  -8.555  -8.555
  357    HA   LYS  48           HA       LYS  48   7.043  -8.151  -8.151
  358   1HB   LYS  48           HB2      LYS  48   5.937 -10.291 -10.291
  359   2HB   LYS  48           HB1      LYS  48   7.670 -10.171 -10.171
  360   1HG   LYS  48           HG2      LYS  48   7.470 -11.609 -11.609
  361   2HG   LYS  48           HG1      LYS  48   7.951 -10.045 -10.045
  362   1HD   LYS  48           HD2      LYS  48   5.124 -10.007 -10.007
  363   2HD   LYS  48           HD1      LYS  48   5.565 -11.564 -11.564
  364   1HE   LYS  48           HE2      LYS  48   6.840  -9.006  -9.006
  365   2HE   LYS  48           HE1      LYS  48   5.291  -9.576  -9.576
  366   1HZ   LYS  48           HZ2      LYS  48   7.785 -11.186 -11.186
  367   2HZ   LYS  48           HZ1      LYS  48   7.163 -10.501 -10.501
  368   3HZ   LYS  48           HZ3      LYS  48   6.299 -11.722 -11.722
  369    H    ALA  49           HN       ALA  49   6.356  -6.428  -6.428
  370    HA   ALA  49           HA       ALA  49   9.049  -6.582  -6.582
  371   1HB   ALA  49           HB2      ALA  49   6.478  -6.417  -6.417
  372   2HB   ALA  49           HB1      ALA  49   7.015  -4.738  -4.738
  373   3HB   ALA  49           HB3      ALA  49   7.933  -5.994  -5.994
  374    H    ALA  50           HN       ALA  50   6.847  -4.416  -4.416
  375    HA   ALA  50           HA       ALA  50   8.685  -2.126  -2.126
  376   1HB   ALA  50           HB3      ALA  50   6.208  -1.921  -1.921
  377   2HB   ALA  50           HB2      ALA  50   6.165  -2.635  -2.635
  378   3HB   ALA  50           HB1      ALA  50   6.925  -1.063  -1.063
  379    H    GLY  51           HN       GLY  51   8.177  -4.854  -4.854
  380   1HA   GLY  51           HA2      GLY  51   9.510  -3.585  -3.585
  381   2HA   GLY  51           HA1      GLY  51   8.877  -5.230  -5.230
  382    H    LYS  52           HN       LYS  52  10.292  -5.663  -5.663
  383    HA   LYS  52           HA       LYS  52  12.743  -6.747  -6.747
  384   1HB   LYS  52           HB2      LYS  52  13.116  -7.431  -7.431
  385   2HB   LYS  52           HB1      LYS  52  11.401  -7.617  -7.617
  386   1HG   LYS  52           HG1      LYS  52  11.023  -6.374  -6.374
  387   2HG   LYS  52           HG2      LYS  52  11.582  -4.997  -4.997
  388   1HD   LYS  52           HD2      LYS  52  12.926  -4.975  -4.975
  389   2HD   LYS  52           HD1      LYS  52  13.956  -5.677  -5.677
  390   1HE   LYS  52           HE2      LYS  52  12.434  -7.795  -7.795
  391   2HE   LYS  52           HE1      LYS  52  13.226  -6.853  -6.853
  392   1HZ   LYS  52           HZ1      LYS  52  15.288  -6.944  -6.944
  393   2HZ   LYS  52           HZ3      LYS  52  14.527  -7.919  -7.919
  394   3HZ   LYS  52           HZ2      LYS  52  14.751  -8.500  -8.500
  395    H    LEU  53           HN       LEU  53  11.880  -3.610  -3.610
  396    HA   LEU  53           HA       LEU  53  14.780  -2.864  -2.864
  397   1HB   LEU  53           HB1      LEU  53  14.175  -1.326  -1.326
  398   2HB   LEU  53           HB2      LEU  53  13.585  -2.937  -2.937
  399    HG   LEU  53           HG       LEU  53  11.409  -2.057  -2.057
  400   1HD1  LEU  53          HD12      LEU  53  12.997   0.372   0.372
  401   2HD1  LEU  53          HD11      LEU  53  11.251   0.427   0.427
  402   3HD1  LEU  53          HD13      LEU  53  11.915   0.105   0.105
  403   1HD2  LEU  53          HD21      LEU  53  12.079  -2.581  -2.581
  404   2HD2  LEU  53          HD23      LEU  53  10.474  -2.063  -2.063
  405   3HD2  LEU  53          HD22      LEU  53  11.624  -0.881  -0.881
  406    H    LYS  54           HN       LYS  54  12.017  -2.521  -2.521
  407    HA   LYS  54           HA       LYS  54  11.700   0.239   0.239
  408   1HB   LYS  54           HB2      LYS  54  10.748  -0.503  -0.503
  409   2HB   LYS  54           HB1      LYS  54  10.330  -1.679  -1.679
  410   1HG   LYS  54           HG2      LYS  54  12.251  -3.086  -3.086
  411   2HG   LYS  54           HG1      LYS  54  12.593  -1.929  -1.929
  412   1HD   LYS  54           HD2      LYS  54   9.884  -3.235  -3.235
  413   2HD   LYS  54           HD1      LYS  54  11.180  -3.974  -3.974
  414   1HE   LYS  54           HE2      LYS  54  11.264  -1.450  -1.450
  415   2HE   LYS  54           HE1      LYS  54   9.536  -1.580  -1.580
  416   1HZ   LYS  54           HZ2      LYS  54   9.597  -3.816  -3.816
  417   2HZ   LYS  54           HZ1      LYS  54  11.162  -3.457  -3.457
  418   3HZ   LYS  54           HZ3      LYS  54   9.844  -2.525  -2.525
  419    H    ALA  55           HN       ALA  55  14.238  -1.961  -1.961
  420    HA   ALA  55           HA       ALA  55  15.380  -0.265  -0.265
  421   1HB   ALA  55           HB2      ALA  55  15.890  -2.780  -2.780
  422   2HB   ALA  55           HB1      ALA  55  17.384  -1.895  -1.895
  423   3HB   ALA  55           HB3      ALA  55  16.317  -2.311  -2.311
  424    H    GLU  56           HN       GLU  56  15.465  -0.172  -0.172
  425    HA   GLU  56           HA       GLU  56  17.994   1.329   1.329
  426   1HB   GLU  56           HB1      GLU  56  15.872   0.289   0.289
  427   2HB   GLU  56           HB2      GLU  56  16.987   1.522   1.522
  428   1HG   GLU  56           HG2      GLU  56  18.684  -0.228  -0.228
  429   2HG   GLU  56           HG1      GLU  56  17.476  -1.316  -1.316
  430    H    GLY  57           HN       GLY  57  14.563   2.003   2.003
  431   1HA   GLY  57           HA2      GLY  57  14.319   4.445   4.445
  432   2HA   GLY  57           HA1      GLY  57  15.061   4.873   4.873
  433    H    SER  58           HN       SER  58  13.687   2.678   2.678
  434    HA   SER  58           HA       SER  58  11.700   2.429   2.429
  435   1HB   SER  58           HB2      SER  58  10.768   1.500   1.500
  436   2HB   SER  58           HB1      SER  58  10.865   3.022   3.022
  437    HG   SER  58           HG       SER  58   9.216   2.645   2.645
  438    H    GLU  59           HN       GLU  59  12.539   4.513   4.513
  439    HA   GLU  59           HA       GLU  59  11.432   7.074   7.074
  440   1HB   GLU  59           HB2      GLU  59  13.281   7.194   7.194
  441   2HB   GLU  59           HB1      GLU  59  12.879   5.700   5.700
  442   1HG   GLU  59           HG2      GLU  59  12.679   7.581   7.581
  443   2HG   GLU  59           HG1      GLU  59  11.086   6.898   6.898
  444    H    ILE  60           HN       ILE  60  10.063   4.239   4.239
  445    HA   ILE  60           HA       ILE  60   7.804   5.812   5.812
  446    HB   ILE  60           HB       ILE  60   8.527   2.874   2.874
  447   1HG1  ILE  60          HG12      ILE  60   9.206   3.858   3.858
  448   2HG1  ILE  60          HG11      ILE  60   9.472   5.326   5.326
  449   1HG2  ILE  60          HG23      ILE  60   6.466   4.683   4.683
  450   2HG2  ILE  60          HG22      ILE  60   7.186   3.479   3.479
  451   3HG2  ILE  60          HG21      ILE  60   6.357   2.971   2.971
  452   1HD1  ILE  60          HD13      ILE  60  10.574   2.757   2.757
  453   2HD1  ILE  60          HD12      ILE  60  11.401   3.509   3.509
  454   3HD1  ILE  60          HD11      ILE  60  11.209   4.396   4.396
  455    H    ARG  61           HN       ARG  61   5.597   4.697   4.697
  456    HA   ARG  61           HA       ARG  61   5.445   3.420   3.420
  457   1HB   ARG  61           HB2      ARG  61   4.253   5.923   5.923
  458   2HB   ARG  61           HB1      ARG  61   3.213   4.941   4.941
  459   1HG   ARG  61           HG2      ARG  61   4.973   4.932   4.932
  460   2HG   ARG  61           HG1      ARG  61   5.983   5.950   5.950
  461   1HD   ARG  61           HD2      ARG  61   4.535   7.811   7.811
  462   2HD   ARG  61           HD1      ARG  61   3.179   6.801   6.801
  463    HE   ARG  61           HE       ARG  61   5.264   6.382   6.382
  464   1HH1  ARG  61          HH11      ARG  61   5.927   9.219   9.219
  465   2HH1  ARG  61          HH12      ARG  61   4.822   9.993   9.993
  466   1HH2  ARG  61          HH21      ARG  61   2.693   7.264   7.264
  467   2HH2  ARG  61          HH22      ARG  61   2.991   8.888   8.888
  468    H    LEU  62           HN       LEU  62   4.493   1.448   1.448
  469    HA   LEU  62           HA       LEU  62   2.791   0.913   0.913
  470   1HB   LEU  62           HB2      LEU  62   4.306  -0.536  -0.536
  471   2HB   LEU  62           HB1      LEU  62   2.771  -1.305  -1.305
  472    HG   LEU  62           HG       LEU  62   3.477  -0.939  -0.939
  473   1HD1  LEU  62          HD12      LEU  62   5.536   0.444   0.444
  474   2HD1  LEU  62          HD11      LEU  62   6.284  -1.139  -1.139
  475   3HD1  LEU  62          HD13      LEU  62   5.612  -0.289  -0.289
  476   1HD2  LEU  62          HD23      LEU  62   3.409  -3.132  -3.132
  477   2HD2  LEU  62          HD22      LEU  62   4.630  -3.067  -3.067
  478   3HD2  LEU  62          HD21      LEU  62   5.105  -2.882  -2.882
  479    H    ALA  63           HN       ALA  63   0.542   0.894   0.894
  480    HA   ALA  63           HA       ALA  63  -0.750   0.848   0.848
  481   1HB   ALA  63           HB2      ALA  63  -0.440   3.163   3.163
  482   2HB   ALA  63           HB1      ALA  63  -1.493   2.679   2.679
  483   3HB   ALA  63           HB3      ALA  63  -2.120   2.734   2.734
  484    H    LYS  64           HN       LYS  64  -3.073   0.251   0.251
  485    HA   LYS  64           HA       LYS  64  -3.783  -1.273  -1.273
  486   1HB   LYS  64           HB2      LYS  64  -4.548  -3.090  -3.090
  487   2HB   LYS  64           HB1      LYS  64  -2.861  -2.718  -2.718
  488   1HG   LYS  64           HG2      LYS  64  -4.141  -1.005  -1.005
  489   2HG   LYS  64           HG1      LYS  64  -5.252  -2.374  -2.374
  490   1HD   LYS  64           HD2      LYS  64  -2.335  -2.964  -2.964
  491   2HD   LYS  64           HD1      LYS  64  -3.154  -2.286  -2.286
  492   1HE   LYS  64           HE2      LYS  64  -4.971  -4.157  -4.157
  493   2HE   LYS  64           HE1      LYS  64  -3.536  -4.945  -4.945
  494   1HZ   LYS  64           HZ1      LYS  64  -3.691  -3.763  -3.763
  495   2HZ   LYS  64           HZ3      LYS  64  -3.838  -5.420  -5.420
  496   3HZ   LYS  64           HZ2      LYS  64  -2.376  -4.616  -4.616
  497    H    VAL  65           HN       VAL  65  -6.187  -1.749  -1.749
  498    HA   VAL  65           HA       VAL  65  -7.811   0.251   0.251
  499    HB   VAL  65           HB       VAL  65  -7.743  -0.291  -0.291
  500   1HG1  VAL  65          HG11      VAL  65  -9.895   0.703   0.703
  501   2HG1  VAL  65          HG13      VAL  65  -9.452   1.857   1.857
  502   3HG1  VAL  65          HG12      VAL  65  -9.949   0.222   0.222
  503   1HG2  VAL  65          HG23      VAL  65  -6.953   1.986   1.986
  504   2HG2  VAL  65          HG22      VAL  65  -6.062   1.266   1.266
  505   3HG2  VAL  65          HG21      VAL  65  -7.446   2.311   2.311
  506    H    ASP  66           HN       ASP  66 -10.010  -0.404  -0.404
  507    HA   ASP  66           HA       ASP  66 -10.476  -3.323  -3.323
  508   1HB   ASP  66           HB2      ASP  66 -10.581  -1.916  -1.916
  509   2HB   ASP  66           HB1      ASP  66 -12.188  -1.494  -1.494
  510    H    ALA  67           HN       ALA  67 -11.246  -3.314  -3.314
  511    HA   ALA  67           HA       ALA  67 -12.954  -1.560  -1.560
  512   1HB   ALA  67           HB3      ALA  67 -12.208  -4.386  -4.386
  513   2HB   ALA  67           HB2      ALA  67 -13.817  -4.088  -4.088
  514   3HB   ALA  67           HB1      ALA  67 -12.422  -3.233  -3.233
  515    H    THR  68           HN       THR  68 -13.798  -3.769  -3.769
  516    HA   THR  68           HA       THR  68 -16.702  -3.401  -3.401
  517    HB   THR  68           HB       THR  68 -16.781  -4.956  -4.956
  518    HG1  THR  68           HG1      THR  68 -15.021  -5.220  -5.220
  519   1HG2  THR  68          HG22      THR  68 -16.611  -5.670  -5.670
  520   2HG2  THR  68          HG21      THR  68 -14.895  -5.943  -5.943
  521   3HG2  THR  68          HG23      THR  68 -16.105  -6.867  -6.867
  522    H    GLU  69           HN       GLU  69 -14.605  -1.274  -1.274
  523    HA   GLU  69           HA       GLU  69 -16.352  -0.305  -0.305
  524   1HB   GLU  69           HB2      GLU  69 -14.019  -1.468  -1.468
  525   2HB   GLU  69           HB1      GLU  69 -13.378   0.105   0.105
  526   1HG   GLU  69           HG2      GLU  69 -15.657   0.427   0.427
  527   2HG   GLU  69           HG1      GLU  69 -14.439  -0.606  -0.606
  528    H    GLU  70           HN       GLU  70 -13.600   0.624   0.624
  529    HA   GLU  70           HA       GLU  70 -14.956   3.279   3.279
  530   1HB   GLU  70           HB1      GLU  70 -12.682   4.195   4.195
  531   2HB   GLU  70           HB2      GLU  70 -12.843   3.301   3.301
  532   1HG   GLU  70           HG2      GLU  70 -10.964   2.867   2.867
  533   2HG   GLU  70           HG1      GLU  70 -11.145   1.957   1.957
  534    H    SER  71           HN       SER  71 -15.634   1.109   1.109
  535    HA   SER  71           HA       SER  71 -14.114   0.719   0.719
  536   1HB   SER  71           HB2      SER  71 -16.058  -0.328  -0.328
  537   2HB   SER  71           HB1      SER  71 -16.384  -0.250  -0.250
  538    HG   SER  71           HG       SER  71 -18.063   0.551   0.551
  539    H    ASP  72           HN       ASP  72 -15.889   3.509   3.509
  540    HA   ASP  72           HA       ASP  72 -16.707   4.837   4.837
  541   1HB   ASP  72           HB1      ASP  72 -15.937   5.432   5.432
  542   2HB   ASP  72           HB2      ASP  72 -15.277   6.684   6.684
  543    H    LEU  73           HN       LEU  73 -13.393   4.174   4.174
  544    HA   LEU  73           HA       LEU  73 -12.301   5.988   5.988
  545   1HB   LEU  73           HB1      LEU  73 -10.908   4.068   4.068
  546   2HB   LEU  73           HB2      LEU  73 -10.172   5.416   5.416
  547    HG   LEU  73           HG       LEU  73 -12.354   6.518   6.518
  548   1HD1  LEU  73          HD12      LEU  73 -11.457   4.144   4.144
  549   2HD1  LEU  73          HD11      LEU  73 -10.887   5.521   5.521
  550   3HD1  LEU  73          HD13      LEU  73 -12.606   5.341   5.341
  551   1HD2  LEU  73          HD22      LEU  73  -9.372   6.511   6.511
  552   2HD2  LEU  73          HD21      LEU  73 -10.256   7.667   7.667
  553   3HD2  LEU  73          HD23      LEU  73 -10.519   7.626   7.626
  554    H    ALA  74           HN       ALA  74 -12.376   2.523   2.523
  555    HA   ALA  74           HA       ALA  74 -10.903   1.564   1.564
  556   1HB   ALA  74           HB3      ALA  74 -12.763   0.574   0.574
  557   2HB   ALA  74           HB2      ALA  74 -12.763  -0.387  -0.387
  558   3HB   ALA  74           HB1      ALA  74 -11.261  -0.139  -0.139
  559    H    GLN  75           HN       GLN  75 -14.466   1.777   1.777
  560    HA   GLN  75           HA       GLN  75 -15.183   1.000   1.000
  561   1HB   GLN  75           HB2      GLN  75 -17.297   2.178   2.178
  562   2HB   GLN  75           HB1      GLN  75 -16.723   1.209   1.209
  563   1HG   GLN  75           HG1      GLN  75 -16.679   3.042   3.042
  564   2HG   GLN  75           HG2      GLN  75 -15.523   3.793   3.793
  565   1HE2  GLN  75          HE22      GLN  75 -17.944   5.869   5.869
  566   2HE2  GLN  75          HE21      GLN  75 -16.344   5.304   5.304
  567    H    GLN  76           HN       GLN  76 -13.842   3.986   3.986
  568    HA   GLN  76           HA       GLN  76 -14.685   5.733   5.733
  569   1HB   GLN  76           HB2      GLN  76 -13.356   5.913   5.913
  570   2HB   GLN  76           HB1      GLN  76 -12.055   6.199   6.199
  571   1HG   GLN  76           HG2      GLN  76 -14.164   7.694   7.694
  572   2HG   GLN  76           HG1      GLN  76 -14.308   7.919   7.919
  573   1HE2  GLN  76          HE22      GLN  76 -11.198   9.671   9.671
  574   2HE2  GLN  76          HE21      GLN  76 -12.339   8.755   8.755
  575    H    TYR  77           HN       TYR  77 -11.921   3.556   3.556
  576    HA   TYR  77           HA       TYR  77 -10.741   4.393   4.393
  577   1HB   TYR  77           HB1      TYR  77 -10.021   2.513   2.513
  578   2HB   TYR  77           HB2      TYR  77  -9.095   2.540   2.540
  579    HD1  TYR  77           HD2      TYR  77  -8.223   4.845   4.845
  580    HD2  TYR  77           HD1      TYR  77  -9.564   4.076   4.076
  581    HE1  TYR  77           HE2      TYR  77  -6.984   6.840   6.840
  582    HE2  TYR  77           HE1      TYR  77  -8.325   6.072   6.072
  583    HH   TYR  77           HH       TYR  77  -6.630   7.541   7.541
  584    H    GLY  78           HN       GLY  78 -12.148   1.476   1.476
  585   1HA   GLY  78           HA1      GLY  78 -13.766   0.366   0.366
  586   2HA   GLY  78           HA2      GLY  78 -12.290   0.222   0.222
  587    H    VAL  79           HN       VAL  79 -10.384  -0.652  -0.652
  588    HA   VAL  79           HA       VAL  79  -9.560  -2.609  -2.609
  589    HB   VAL  79           HB       VAL  79 -12.137  -2.133  -2.133
  590   1HG1  VAL  79          HG11      VAL  79  -9.876  -4.000  -4.000
  591   2HG1  VAL  79          HG13      VAL  79 -10.274  -3.083  -3.083
  592   3HG1  VAL  79          HG12      VAL  79 -11.505  -4.078  -4.078
  593   1HG2  VAL  79          HG22      VAL  79 -10.109  -0.350  -0.350
  594   2HG2  VAL  79          HG21      VAL  79 -11.082  -0.447  -0.447
  595   3HG2  VAL  79          HG23      VAL  79  -9.512  -1.247  -1.247
  596    H    ARG  80           HN       ARG  80  -9.784  -4.158  -4.158
  597    HA   ARG  80           HA       ARG  80 -12.364  -5.491  -5.491
  598   1HB   ARG  80           HB1      ARG  80  -9.873  -5.061  -5.061
  599   2HB   ARG  80           HB2      ARG  80 -10.101  -6.804  -6.804
  600   1HG   ARG  80           HG2      ARG  80 -12.587  -6.135  -6.135
  601   2HG   ARG  80           HG1      ARG  80 -11.715  -4.790  -4.790
  602   1HD   ARG  80           HD2      ARG  80 -11.467  -6.302  -6.302
  603   2HD   ARG  80           HD1      ARG  80 -10.104  -6.861  -6.861
  604    HE   ARG  80           HE       ARG  80 -12.707  -8.027  -8.027
  605   1HH1  ARG  80          HH21      ARG  80  -9.966  -9.262  -9.262
  606   2HH1  ARG  80          HH22      ARG  80  -9.968 -10.532 -10.532
  607   1HH2  ARG  80          HH11      ARG  80 -12.646  -9.235  -9.235
  608   2HH2  ARG  80          HH12      ARG  80 -11.486 -10.518 -10.518
  609    H    GLY  81           HN       GLY  81 -11.813  -5.900  -5.900
  610   1HA   GLY  81           HA2      GLY  81 -12.135  -8.045  -8.045
  611   2HA   GLY  81           HA1      GLY  81 -10.985  -8.770  -8.770
  612    H    TYR  82           HN       TYR  82 -10.695  -8.923  -8.923
  613    HA   TYR  82           HA       TYR  82  -8.491  -6.998  -6.998
  614   1HB   TYR  82           HB2      TYR  82  -9.927  -9.003  -9.003
  615   2HB   TYR  82           HB1      TYR  82  -8.898  -7.678  -7.678
  616    HD1  TYR  82           HD1      TYR  82  -9.821  -5.527  -5.527
  617    HD2  TYR  82           HD2      TYR  82 -12.043  -8.420  -8.420
  618    HE1  TYR  82           HE1      TYR  82 -11.779  -4.006  -4.006
  619    HE2  TYR  82           HE2      TYR  82 -14.000  -6.898  -6.898
  620    HH   TYR  82           HH       TYR  82 -14.031  -3.913  -3.913
  621    HA   PRO  83           HA       PRO  83  -7.167  -7.043  -7.043
  622   1HB   PRO  83           HB2      PRO  83  -4.484  -7.028  -7.028
  623   2HB   PRO  83           HB1      PRO  83  -5.641  -7.983  -7.983
  624   1HG   PRO  83           HG2      PRO  83  -3.627  -8.867  -8.867
  625   2HG   PRO  83           HG1      PRO  83  -4.476  -9.790  -9.790
  626   1HD   PRO  83           HD1      PRO  83  -5.009  -9.674  -9.674
  627   2HD   PRO  83           HD2      PRO  83  -5.800 -10.676 -10.676
  628    H    THR  84           HN       THR  84  -6.528  -4.919  -4.919
  629    HA   THR  84           HA       THR  84  -5.109  -4.785  -4.785
  630    HB   THR  84           HB       THR  84  -6.843  -2.592  -2.592
  631    HG1  THR  84           HG1      THR  84  -8.390  -3.996  -3.996
  632   1HG2  THR  84          HG23      THR  84  -5.512  -2.699  -2.699
  633   2HG2  THR  84          HG22      THR  84  -6.846  -3.726  -3.726
  634   3HG2  THR  84          HG21      THR  84  -7.160  -2.073  -2.073
  635    H    ILE  85           HN       ILE  85  -3.051  -3.979  -3.979
  636    HA   ILE  85           HA       ILE  85  -2.476  -2.165  -2.165
  637    HB   ILE  85           HB       ILE  85  -0.663  -3.845  -3.845
  638   1HG1  ILE  85          HG12      ILE  85  -0.572  -4.960  -4.960
  639   2HG1  ILE  85          HG11      ILE  85  -2.246  -4.403  -4.403
  640   1HG2  ILE  85          HG22      ILE  85   0.259  -1.756  -1.756
  641   2HG2  ILE  85          HG21      ILE  85  -0.023  -2.663  -2.663
  642   3HG2  ILE  85          HG23      ILE  85   1.091  -3.288  -3.288
  643   1HD1  ILE  85          HD12      ILE  85  -1.159  -5.846  -5.846
  644   2HD1  ILE  85          HD11      ILE  85  -1.606  -6.785  -6.785
  645   3HD1  ILE  85          HD13      ILE  85  -2.811  -5.786  -5.786
  646    H    LYS  86           HN       LYS  86  -1.935  -0.061  -0.061
  647    HA   LYS  86           HA       LYS  86  -1.045   0.633   0.633
  648   1HB   LYS  86           HB1      LYS  86  -2.957   2.187   2.187
  649   2HB   LYS  86           HB2      LYS  86  -2.508   2.589   2.589
  650   1HG   LYS  86           HG1      LYS  86  -3.371   0.114   0.114
  651   2HG   LYS  86           HG2      LYS  86  -4.304   0.416   0.416
  652   1HD   LYS  86           HD2      LYS  86  -5.057   2.599   2.599
  653   2HD   LYS  86           HD1      LYS  86  -4.331   2.020   2.020
  654   1HE   LYS  86           HE1      LYS  86  -5.985   0.463   0.463
  655   2HE   LYS  86           HE2      LYS  86  -6.162   0.120   0.120
  656   1HZ   LYS  86           HZ1      LYS  86  -6.951   2.696   2.696
  657   2HZ   LYS  86           HZ3      LYS  86  -8.038   1.419   1.419
  658   3HZ   LYS  86           HZ2      LYS  86  -7.294   2.171   2.171
  659    H    PHE  87           HN       PHE  87   0.039   2.864   2.864
  660    HA   PHE  87           HA       PHE  87   1.392   3.387   3.387
  661   1HB   PHE  87           HB1      PHE  87   2.807   2.067   2.067
  662   2HB   PHE  87           HB2      PHE  87   2.593   3.290   3.290
  663    HD1  PHE  87           HD1      PHE  87   3.119   3.782   3.782
  664    HD2  PHE  87           HD2      PHE  87   4.756   4.198   4.198
  665    HE1  PHE  87           HE1      PHE  87   5.027   5.067   5.067
  666    HE2  PHE  87           HE2      PHE  87   6.662   5.485   5.485
  667    HZ   PHE  87           HZ       PHE  87   6.798   5.919   5.919
  668    H    PHE  88           HN       PHE  88   1.090   5.491   5.491
  669    HA   PHE  88           HA       PHE  88   0.532   7.501   7.501
  670   1HB   PHE  88           HB2      PHE  88  -0.437   7.053   7.053
  671   2HB   PHE  88           HB1      PHE  88  -0.573   8.643   8.643
  672    HD1  PHE  88           HD1      PHE  88  -1.465   5.049   5.049
  673    HD2  PHE  88           HD2      PHE  88  -2.272   9.105   9.105
  674    HE1  PHE  88           HE1      PHE  88  -3.483   4.295   4.295
  675    HE2  PHE  88           HE2      PHE  88  -4.292   8.351   8.351
  676    HZ   PHE  88           HZ       PHE  88  -4.898   5.946   5.946
  677    H    ARG  89           HN       ARG  89   2.181   8.962   8.962
  678    HA   ARG  89           HA       ARG  89   4.074   9.369   9.369
  679   1HB   ARG  89           HB2      ARG  89   5.562  10.211  10.211
  680   2HB   ARG  89           HB1      ARG  89   5.036   8.547   8.547
  681   1HG   ARG  89           HG2      ARG  89   4.044   9.099   9.099
  682   2HG   ARG  89           HG1      ARG  89   3.110  10.367  10.367
  683   1HD   ARG  89           HD2      ARG  89   4.437  11.508  11.508
  684   2HD   ARG  89           HD1      ARG  89   5.292  11.770  11.770
  685    HE   ARG  89           HE       ARG  89   6.170   9.311   9.311
  686   1HH1  ARG  89          HH21      ARG  89   6.095  11.794  11.794
  687   2HH1  ARG  89          HH22      ARG  89   7.777  12.205  12.205
  688   1HH2  ARG  89          HH11      ARG  89   8.480  10.236  10.236
  689   2HH2  ARG  89          HH12      ARG  89   9.128  11.322  11.322
  690    H    ASN  90           HN       ASN  90   4.113  11.342  11.342
  691    HA   ASN  90           HA       ASN  90   3.499  13.566  13.566
  692   1HB   ASN  90           HB2      ASN  90   5.113  13.747  13.747
  693   2HB   ASN  90           HB1      ASN  90   3.733  13.783  13.783
  694   1HD2  ASN  90          HD22      ASN  90   4.329  17.015  17.015
  695   2HD2  ASN  90          HD21      ASN  90   4.894  15.489  15.489
  696    H    GLY  91           HN       GLY  91   1.327  11.572  11.572
  697   1HA   GLY  91           HA1      GLY  91  -0.988  11.613  11.613
  698   2HA   GLY  91           HA2      GLY  91  -0.921  13.280  13.280
  699    H    ASP  92           HN       ASP  92   0.874  12.168  12.168
  700    HA   ASP  92           HA       ASP  92  -0.110  14.259  14.259
  701   1HB   ASP  92           HB2      ASP  92   0.870  12.421  12.421
  702   2HB   ASP  92           HB1      ASP  92   1.514  11.770  11.770
  703    H    THR  93           HN       THR  93  -1.306  11.053  11.053
  704    HA   THR  93           HA       THR  93  -3.120   9.804   9.804
  705    HB   THR  93           HB       THR  93  -5.143  11.179  11.179
  706    HG1  THR  93           HG1      THR  93  -5.067  13.213  13.213
  707   1HG2  THR  93          HG21      THR  93  -3.073  12.045  12.045
  708   2HG2  THR  93          HG23      THR  93  -4.781  12.468  12.468
  709   3HG2  THR  93          HG22      THR  93  -4.285  10.777  10.777
  710    H    ALA  94           HN       ALA  94  -5.052  10.545  10.545
  711    HA   ALA  94           HA       ALA  94  -5.353  10.450  10.450
  712   1HB   ALA  94           HB2      ALA  94  -4.350  12.763  12.763
  713   2HB   ALA  94           HB1      ALA  94  -2.804  12.079  12.079
  714   3HB   ALA  94           HB3      ALA  94  -4.149  12.143  12.143
  715    H    SER  95           HN       SER  95  -4.915   8.254   8.254
  716    HA   SER  95           HA       SER  95  -3.711   6.379   6.379
  717   1HB   SER  95           HB2      SER  95  -2.655   8.839   8.839
  718   2HB   SER  95           HB1      SER  95  -1.632   7.411   7.411
  719    HG   SER  95           HG       SER  95  -3.444   6.290   6.290
  720    HA   PRO  96           HA       PRO  96  -0.581   6.954   6.954
  721   1HB   PRO  96           HB2      PRO  96  -1.325   4.749   4.749
  722   2HB   PRO  96           HB1      PRO  96  -2.068   6.345   6.345
  723   1HG   PRO  96           HG2      PRO  96  -3.057   3.971   3.971
  724   2HG   PRO  96           HG1      PRO  96  -3.954   5.121   5.121
  725   1HD   PRO  96           HD2      PRO  96  -3.935   5.210   5.210
  726   2HD   PRO  96           HD1      PRO  96  -4.169   6.641   6.641
  727    H    LYS  97           HN       LYS  97   1.125   5.294   5.294
  728    HA   LYS  97           HA       LYS  97   1.942   3.749   3.749
  729   1HB   LYS  97           HB2      LYS  97   3.081   4.658   4.658
  730   2HB   LYS  97           HB1      LYS  97   3.861   3.299   3.299
  731   1HG   LYS  97           HG2      LYS  97   3.241   5.935   5.935
  732   2HG   LYS  97           HG1      LYS  97   4.801   5.560   5.560
  733   1HD   LYS  97           HD2      LYS  97   5.419   4.256   4.256
  734   2HD   LYS  97           HD1      LYS  97   3.862   3.429   3.429
  735   1HE   LYS  97           HE2      LYS  97   3.566   4.541   4.541
  736   2HE   LYS  97           HE1      LYS  97   3.193   5.936   5.936
  737   1HZ   LYS  97           HZ2      LYS  97   5.652   6.321   6.321
  738   2HZ   LYS  97           HZ1      LYS  97   5.828   5.175   5.175
  739   3HZ   LYS  97           HZ3      LYS  97   4.955   6.601   6.601
  740    H    GLU  98           HN       GLU  98   0.371   2.009   2.009
  741    HA   GLU  98           HA       GLU  98  -0.413   0.376   0.376
  742   1HB   GLU  98           HB2      GLU  98  -0.806  -1.301  -1.301
  743   2HB   GLU  98           HB1      GLU  98  -1.340   0.313   0.313
  744   1HG   GLU  98           HG1      GLU  98   0.706   0.669   0.669
  745   2HG   GLU  98           HG2      GLU  98   1.360  -0.871  -0.871
  746    H    TYR  99           HN       TYR  99   0.510  -1.442  -1.442
  747    HA   TYR  99           HA       TYR  99   3.424  -1.656  -1.656
  748   1HB   TYR  99           HB2      TYR  99   1.393  -2.094  -2.094
  749   2HB   TYR  99           HB1      TYR  99   1.891  -3.732  -3.732
  750    HD1  TYR  99           HD2      TYR  99   4.732  -3.515  -3.515
  751    HD2  TYR  99           HD1      TYR  99   2.378  -1.537  -1.537
  752    HE1  TYR  99           HE2      TYR  99   6.754  -3.254  -3.254
  753    HE2  TYR  99           HE1      TYR  99   4.398  -1.276  -1.276
  754    HH   TYR  99           HH       TYR  99   7.474  -1.578  -1.578
  755    H    THR 100           HN       THR 100   4.325  -2.729  -2.729
  756    HA   THR 100           HA       THR 100   2.915  -5.053  -5.053
  757    HB   THR 100           HB       THR 100   4.670  -4.764  -4.764
  758    HG1  THR 100           HG1      THR 100   6.083  -2.942  -2.942
  759   1HG2  THR 100          HG22      THR 100   3.037  -2.441  -2.441
  760   2HG2  THR 100          HG21      THR 100   4.146  -2.207  -2.207
  761   3HG2  THR 100          HG23      THR 100   2.859  -3.406  -3.406
  762    H    ALA 101           HN       ALA 101   3.561  -5.941  -5.941
  763    HA   ALA 101           HA       ALA 101   6.277  -7.191  -7.191
  764   1HB   ALA 101           HB1      ALA 101   4.617  -5.988  -5.988
  765   2HB   ALA 101           HB3      ALA 101   5.127  -7.611  -7.611
  766   3HB   ALA 101           HB2      ALA 101   6.332  -6.392  -6.392
  767    H    GLY 102           HN       GLY 102   5.789  -9.309  -9.309
  768   1HA   GLY 102           HA2      GLY 102   3.777 -10.937 -10.937
  769   2HA   GLY 102           HA1      GLY 102   5.327 -11.602 -11.602
  770    H    ARG 103           HN       ARG 103   2.875  -9.611  -9.611
  771    HA   ARG 103           HA       ARG 103   1.929  -9.834  -9.834
  772   1HB   ARG 103           HB2      ARG 103   1.767 -12.496 -12.496
  773   2HB   ARG 103           HB1      ARG 103   1.078 -12.297 -12.297
  774   1HG   ARG 103           HG2      ARG 103  -0.578 -10.877 -10.877
  775   2HG   ARG 103           HG1      ARG 103   0.425 -10.203 -10.203
  776   1HD   ARG 103           HD2      ARG 103   0.219 -12.459 -12.459
  777   2HD   ARG 103           HD1      ARG 103  -1.042 -12.856 -12.856
  778    HE   ARG 103           HE       ARG 103  -1.188 -10.602 -10.602
  779   1HH1  ARG 103          HH21      ARG 103  -2.498 -11.255 -11.255
  780   2HH1  ARG 103          HH22      ARG 103  -4.146 -11.357 -11.357
  781   1HH2  ARG 103          HH11      ARG 103  -3.347 -11.337 -11.337
  782   2HH2  ARG 103          HH12      ARG 103  -4.626 -11.403 -11.403
  783    H    GLU 104           HN       GLU 104   4.680  -9.756  -9.756
  784    HA   GLU 104           HA       GLU 104   5.008 -11.545 -11.545
  785   1HB   GLU 104           HB2      GLU 104   7.189 -12.383 -12.383
  786   2HB   GLU 104           HB1      GLU 104   5.812 -12.888 -12.888
  787   1HG   GLU 104           HG1      GLU 104   6.374 -10.590 -10.590
  788   2HG   GLU 104           HG2      GLU 104   7.982 -10.946 -10.946
  789    H    ALA 105           HN       ALA 105   6.048 -10.430 -10.430
  790    HA   ALA 105           HA       ALA 105   6.648  -7.722  -7.722
  791   1HB   ALA 105           HB2      ALA 105   6.844  -9.886  -9.886
  792   2HB   ALA 105           HB1      ALA 105   8.508  -9.315  -9.315
  793   3HB   ALA 105           HB3      ALA 105   7.233  -8.216  -8.216
  794    H    ASP 106           HN       ASP 106   8.701 -10.334 -10.334
  795    HA   ASP 106           HA       ASP 106  11.164  -8.848  -8.848
  796   1HB   ASP 106           HB2      ASP 106  10.376 -11.425 -11.425
  797   2HB   ASP 106           HB1      ASP 106  10.621 -10.934 -10.934
  798    H    ASP 107           HN       ASP 107   8.467  -9.145  -9.145
  799    HA   ASP 107           HA       ASP 107   9.854  -7.787  -7.787
  800   1HB   ASP 107           HB2      ASP 107   6.874  -7.897  -7.897
  801   2HB   ASP 107           HB1      ASP 107   7.751  -9.418  -9.418
  802    H    ILE 108           HN       ILE 108   7.655  -6.885  -6.885
  803    HA   ILE 108           HA       ILE 108   7.153  -4.187  -4.187
  804    HB   ILE 108           HB       ILE 108   7.114  -5.602  -5.602
  805   1HG1  ILE 108          HG12      ILE 108   4.973  -4.889  -4.889
  806   2HG1  ILE 108          HG11      ILE 108   5.557  -6.509  -6.509
  807   1HG2  ILE 108          HG22      ILE 108   7.299  -3.004  -3.004
  808   2HG2  ILE 108          HG21      ILE 108   5.660  -3.030  -3.030
  809   3HG2  ILE 108          HG23      ILE 108   5.998  -3.750  -3.750
  810   1HD1  ILE 108          HD13      ILE 108   4.826  -6.008  -6.008
  811   2HD1  ILE 108          HD12      ILE 108   3.934  -4.647  -4.647
  812   3HD1  ILE 108          HD11      ILE 108   3.547  -6.295  -6.295
  813    H    VAL 109           HN       VAL 109   9.653  -5.661  -5.661
  814    HA   VAL 109           HA       VAL 109  10.840  -3.166  -3.166
  815    HB   VAL 109           HB       VAL 109  11.902  -5.999  -5.999
  816   1HG1  VAL 109          HG23      VAL 109  13.266  -3.541  -3.541
  817   2HG1  VAL 109          HG22      VAL 109  13.203  -4.521  -4.521
  818   3HG1  VAL 109          HG21      VAL 109  13.917  -5.181  -5.181
  819   1HG2  VAL 109          HG13      VAL 109   9.881  -5.309  -5.309
  820   2HG2  VAL 109          HG12      VAL 109  11.158  -6.346  -6.346
  821   3HG2  VAL 109          HG11      VAL 109  11.152  -4.622  -4.622
  822    H    ASN 110           HN       ASN 110  11.373  -5.332  -5.332
  823    HA   ASN 110           HA       ASN 110  13.747  -4.018  -4.018
  824   1HB   ASN 110           HB1      ASN 110  11.686  -5.950  -5.950
  825   2HB   ASN 110           HB2      ASN 110  12.785  -5.225  -5.225
  826   1HD2  ASN 110          HD22      ASN 110  14.236  -7.888  -7.888
  827   2HD2  ASN 110          HD21      ASN 110  12.676  -7.244  -7.244
  828    H    TRP 111           HN       TRP 111  10.277  -3.632  -3.632
  829    HA   TRP 111           HA       TRP 111  10.660  -1.654  -1.654
  830   1HB   TRP 111           HB1      TRP 111   8.678  -3.269  -3.269
  831   2HB   TRP 111           HB2      TRP 111   8.190  -1.950  -1.950
  832    HD1  TRP 111           HD1      TRP 111   8.283  -2.996  -2.996
  833    HE1  TRP 111           HE1      TRP 111   7.200  -1.165  -1.165
  834    HE3  TRP 111           HE3      TRP 111   7.852   0.743   0.743
  835    HZ2  TRP 111           HZ2      TRP 111   6.275   1.529   1.529
  836    HZ3  TRP 111           HZ3      TRP 111   6.868   2.928   2.928
  837    HH2  TRP 111           HH2      TRP 111   6.078   3.327   3.327
  838    H    LEU 112           HN       LEU 112  10.671  -1.554  -1.554
  839    HA   LEU 112           HA       LEU 112  10.153   1.379   1.379
  840   1HB   LEU 112           HB1      LEU 112   9.382  -0.724  -0.724
  841   2HB   LEU 112           HB2      LEU 112  10.729  -0.040  -0.040
  842    HG   LEU 112           HG       LEU 112   9.661   2.225   2.225
  843   1HD1  LEU 112          HD12      LEU 112   7.923   0.653   0.653
  844   2HD1  LEU 112          HD11      LEU 112   6.992   1.489   1.489
  845   3HD1  LEU 112          HD13      LEU 112   8.039   2.405   2.405
  846   1HD2  LEU 112          HD23      LEU 112   8.503  -0.066  -0.066
  847   2HD2  LEU 112          HD22      LEU 112   9.175   1.449   1.449
  848   3HD2  LEU 112          HD21      LEU 112   7.539   1.409   1.409
  849    H    LYS 113           HN       LYS 113  12.705  -1.002  -1.002
  850    HA   LYS 113           HA       LYS 113  14.524   0.949   0.949
  851   1HB   LYS 113           HB2      LYS 113  16.070  -0.906  -0.906
  852   2HB   LYS 113           HB1      LYS 113  14.478  -1.557  -1.557
  853   1HG   LYS 113           HG2      LYS 113  14.193  -2.131  -2.131
  854   2HG   LYS 113           HG1      LYS 113  15.857  -1.613  -1.613
  855   1HD   LYS 113           HD2      LYS 113  15.084  -3.743  -3.743
  856   2HD   LYS 113           HD1      LYS 113  15.588  -4.102  -4.102
  857   1HE   LYS 113           HE2      LYS 113  17.310  -2.382  -2.382
  858   2HE   LYS 113           HE1      LYS 113  17.428  -4.152  -4.152
  859   1HZ   LYS 113           HZ1      LYS 113  17.515  -3.978  -3.978
  860   2HZ   LYS 113           HZ3      LYS 113  17.845  -2.330  -2.330
  861   3HZ   LYS 113           HZ2      LYS 113  18.909  -3.501  -3.501
  862    H    LYS 114           HN       LYS 114  14.030  -0.361  -0.361
  863    HA   LYS 114           HA       LYS 114  16.389   0.679   0.679
  864   1HB   LYS 114           HB2      LYS 114  13.980  -0.655  -0.655
  865   2HB   LYS 114           HB1      LYS 114  14.119   0.743   0.743
  866   1HG   LYS 114           HG2      LYS 114  15.847  -0.167  -0.167
  867   2HG   LYS 114           HG1      LYS 114  16.673  -0.630  -0.630
  868   1HD   LYS 114           HD2      LYS 114  14.792  -2.469  -2.469
  869   2HD   LYS 114           HD1      LYS 114  14.665  -2.176  -2.176
  870   1HE   LYS 114           HE2      LYS 114  17.400  -2.572  -2.572
  871   2HE   LYS 114           HE1      LYS 114  16.371  -3.994  -3.994
  872   1HZ   LYS 114           HZ1      LYS 114  16.945  -1.897  -1.897
  873   2HZ   LYS 114           HZ3      LYS 114  17.656  -3.437  -3.437
  874   3HZ   LYS 114           HZ2      LYS 114  15.987  -3.280  -3.280
  875    H    ARG 115           HN       ARG 115  13.570   2.305   2.305
  876    HA   ARG 115           HA       ARG 115  14.155   4.721   4.721
  877   1HB   ARG 115           HB2      ARG 115  11.852   3.658   3.658
  878   2HB   ARG 115           HB1      ARG 115  11.844   4.162   4.162
  879   1HG   ARG 115           HG2      ARG 115  11.876   6.458   6.458
  880   2HG   ARG 115           HG1      ARG 115  12.400   6.135   6.135
  881   1HD   ARG 115           HD2      ARG 115   9.892   4.772   4.772
  882   2HD   ARG 115           HD1      ARG 115   9.753   6.521   6.521
  883    HE   ARG 115           HE       ARG 115  10.121   6.856   6.856
  884   1HH1  ARG 115          HH11      ARG 115   9.518   3.659   3.659
  885   2HH1  ARG 115          HH12      ARG 115  10.499   3.102   3.102
  886   1HH2  ARG 115          HH21      ARG 115  12.057   6.163   6.163
  887   2HH2  ARG 115          HH22      ARG 115  11.936   4.520   4.520
  888    H    THR 116           HN       THR 116  14.500   3.447   3.447
  889    HA   THR 116           HA       THR 116  15.497   6.115   6.115
  890    HB   THR 116           HB       THR 116  14.282   5.717   5.717
  891    HG1  THR 116           HG1      THR 116  14.201   3.428   3.428
  892   1HG2  THR 116          HG22      THR 116  13.280   6.718   6.718
  893   2HG2  THR 116          HG21      THR 116  12.143   5.397   5.397
  894   3HG2  THR 116          HG23      THR 116  12.353   6.645   6.645
  895    H    GLY 117           HN       GLY 117  16.809   3.531   3.531
  896   1HA   GLY 117           HA1      GLY 117  17.850   2.398   2.398
  897   2HA   GLY 117           HA2      GLY 117  18.313   1.910   1.910
  898    HA   PRO 118           HA       PRO 118  21.624   4.626   4.626
  899   1HB   PRO 118           HB1      PRO 118  23.678   2.830   2.830
  900   2HB   PRO 118           HB2      PRO 118  22.637   2.934   2.934
  901   1HG   PRO 118           HG2      PRO 118  22.565   1.007   1.007
  902   2HG   PRO 118           HG1      PRO 118  22.274   0.729   0.729
  903   1HD   PRO 118           HD2      PRO 118  20.284   0.950   0.950
  904   2HD   PRO 118           HD1      PRO 118  20.080   1.347   1.347
  905    H    ALA 119           HN       ALA 119  21.655   2.373   2.373
  906    HA   ALA 119           HA       ALA 119  22.362   4.456   4.456
  907   1HB   ALA 119           HB2      ALA 119  24.471   3.800   3.800
  908   2HB   ALA 119           HB1      ALA 119  24.510   2.387   2.387
  909   3HB   ALA 119           HB3      ALA 119  24.639   4.004   4.004
  910    H    ALA 120           HN       ALA 120  22.947   3.359   3.359
  911    HA   ALA 120           HA       ALA 120  22.064   0.569   0.569
  912   1HB   ALA 120           HB3      ALA 120  20.413   2.981   2.981
  913   2HB   ALA 120           HB2      ALA 120  20.216   1.457   1.457
  914   3HB   ALA 120           HB1      ALA 120  19.909   1.533   1.533

  Start of MODEL    4
    1   1H    ASP   1           HT1      ASP   1  -7.813  11.067  11.067
    2   2H    ASP   1           HT3      ASP   1  -7.542  12.724  12.724
    3   3H    ASP   1           HT2      ASP   1  -6.705  11.580  11.580
    4    HA   ASP   1           HA       ASP   1  -5.268  12.508  12.508
    5   1HB   ASP   1           HB1      ASP   1  -5.938  12.109  12.109
    6   2HB   ASP   1           HB2      ASP   1  -7.190  13.016  13.016
    7    H    ALA   2           HN       ALA   2  -3.538  11.141  11.141
    8    HA   ALA   2           HA       ALA   2  -2.289   9.139   9.139
    9   1HB   ALA   2           HB2      ALA   2  -3.826   9.251   9.251
   10   2HB   ALA   2           HB1      ALA   2  -4.433   7.754   7.754
   11   3HB   ALA   2           HB3      ALA   2  -2.719   7.919   7.919
   12    HA   PRO   3           HA       PRO   3  -4.725   7.276   7.276
   13   1HB   PRO   3           HB2      PRO   3  -2.560   6.604   6.604
   14   2HB   PRO   3           HB1      PRO   3  -3.286   8.222   8.222
   15   1HG   PRO   3           HG2      PRO   3  -0.839   7.242   7.242
   16   2HG   PRO   3           HG1      PRO   3  -1.141   8.797   8.797
   17   1HD   PRO   3           HD1      PRO   3  -1.216   8.425   8.425
   18   2HD   PRO   3           HD2      PRO   3  -2.117   9.697   9.697
   19    H    GLU   4           HN       GLU   4  -4.375   5.001   5.001
   20    HA   GLU   4           HA       GLU   4  -3.282   3.139   3.139
   21   1HB   GLU   4           HB1      GLU   4  -5.170   1.691   1.691
   22   2HB   GLU   4           HB2      GLU   4  -5.780   3.308   3.308
   23   1HG   GLU   4           HG2      GLU   4  -6.518   1.903   1.903
   24   2HG   GLU   4           HG1      GLU   4  -6.426   3.663   3.663
   25    H    GLU   5           HN       GLU   5  -2.816   0.902   0.902
   26    HA   GLU   5           HA       GLU   5  -2.253   0.736   0.736
   27   1HB   GLU   5           HB1      GLU   5   0.222   0.723   0.723
   28   2HB   GLU   5           HB2      GLU   5  -0.483   2.275   2.275
   29   1HG   GLU   5           HG2      GLU   5  -0.578   1.323   1.323
   30   2HG   GLU   5           HG1      GLU   5   0.517   0.070   0.070
   31    H    GLU   6           HN       GLU   6  -2.306  -1.435  -1.435
   32    HA   GLU   6           HA       GLU   6  -2.055  -3.376  -3.376
   33   1HB   GLU   6           HB1      GLU   6  -3.415  -3.277  -3.277
   34   2HB   GLU   6           HB2      GLU   6  -3.124  -4.834  -4.834
   35   1HG   GLU   6           HG2      GLU   6  -4.139  -3.449  -3.449
   36   2HG   GLU   6           HG1      GLU   6  -4.985  -2.654  -2.654
   37    H    ASP   7           HN       ASP   7  -0.441  -4.933  -4.933
   38    HA   ASP   7           HA       ASP   7   1.603  -5.950  -5.950
   39   1HB   ASP   7           HB1      ASP   7   0.091  -5.724  -5.724
   40   2HB   ASP   7           HB2      ASP   7   1.509  -6.745  -6.745
   41    H    HIS   8           HN       HIS   8   1.919  -3.192  -3.192
   42    HA   HIS   8           HA       HIS   8   3.317  -1.403  -1.403
   43   1HB   HIS   8           HB1      HIS   8   4.574  -3.842  -3.842
   44   2HB   HIS   8           HB2      HIS   8   5.351  -2.259  -2.259
   45    HD1  HIS   8           HD1      HIS   8   7.215  -2.669  -2.669
   46    HD2  HIS   8           HD2      HIS   8   3.480  -3.782  -3.782
   47    HE1  HIS   8           HE1      HIS   8   7.547  -3.204  -3.204
   48    H    VAL   9           HN       VAL   9   0.996  -2.337  -2.337
   49    HA   VAL   9           HA       VAL   9   1.980  -1.141  -1.141
   50    HB   VAL   9           HB       VAL   9  -0.460  -2.861  -2.861
   51   1HG1  VAL   9          HG13      VAL   9  -0.100  -1.248  -1.248
   52   2HG1  VAL   9          HG12      VAL   9   0.825  -2.642  -2.642
   53   3HG1  VAL   9          HG11      VAL   9  -0.878  -2.824  -2.824
   54   1HG2  VAL   9          HG23      VAL   9   2.348  -3.544  -3.544
   55   2HG2  VAL   9          HG22      VAL   9   0.979  -4.593  -4.593
   56   3HG2  VAL   9          HG21      VAL   9   1.418  -4.271  -4.271
   57    H    LEU  10           HN       LEU  10   0.624   0.499   0.499
   58    HA   LEU  10           HA       LEU  10  -0.867   2.103   2.103
   59   1HB   LEU  10           HB1      LEU  10   0.768   2.556   2.556
   60   2HB   LEU  10           HB2      LEU  10  -0.842   3.042   3.042
   61    HG   LEU  10           HG       LEU  10  -0.589   4.035   4.035
   62   1HD1  LEU  10          HD11      LEU  10   2.000   3.837   3.837
   63   2HD1  LEU  10          HD13      LEU  10   1.574   5.514   5.514
   64   3HD1  LEU  10          HD12      LEU  10   1.623   4.336   4.336
   65   1HD2  LEU  10          HD23      LEU  10  -0.271   5.417   5.417
   66   2HD2  LEU  10          HD22      LEU  10  -1.797   5.096   5.096
   67   3HD2  LEU  10          HD21      LEU  10  -0.639   6.226   6.226
   68    H    VAL  11           HN       VAL  11  -3.079   2.588   2.588
   69    HA   VAL  11           HA       VAL  11  -4.652   0.886   0.886
   70    HB   VAL  11           HB       VAL  11  -5.009   0.365   0.365
   71   1HG1  VAL  11          HG22      VAL  11  -5.360   3.358   3.358
   72   2HG1  VAL  11          HG21      VAL  11  -5.938   2.234   2.234
   73   3HG1  VAL  11          HG23      VAL  11  -4.217   2.321   2.321
   74   1HG2  VAL  11          HG11      VAL  11  -6.999   0.747   0.747
   75   2HG2  VAL  11          HG13      VAL  11  -7.336   0.477   0.477
   76   3HG2  VAL  11          HG12      VAL  11  -7.365   2.113   2.113
   77    H    LEU  12           HN       LEU  12  -6.122   1.941   1.941
   78    HA   LEU  12           HA       LEU  12  -6.020   4.925   4.925
   79   1HB   LEU  12           HB2      LEU  12  -6.364   2.756   2.756
   80   2HB   LEU  12           HB1      LEU  12  -7.147   4.298   4.298
   81    HG   LEU  12           HG       LEU  12  -4.894   4.260   4.260
   82   1HD1  LEU  12          HD11      LEU  12  -5.912   6.213   6.213
   83   2HD1  LEU  12          HD13      LEU  12  -4.205   6.054   6.054
   84   3HD1  LEU  12          HD12      LEU  12  -4.679   6.440   6.440
   85   1HD2  LEU  12          HD22      LEU  12  -3.907   2.617   2.617
   86   2HD2  LEU  12          HD21      LEU  12  -2.921   4.074   4.074
   87   3HD2  LEU  12          HD23      LEU  12  -3.962   3.819   3.819
   88    H    ARG  13           HN       ARG  13  -7.980   6.138   6.138
   89    HA   ARG  13           HA       ARG  13 -10.523   4.625   4.625
   90   1HB   ARG  13           HB2      ARG  13  -9.169   6.734   6.734
   91   2HB   ARG  13           HB1      ARG  13 -10.932   6.659   6.659
   92   1HG   ARG  13           HG2      ARG  13  -9.229   4.212   4.212
   93   2HG   ARG  13           HG1      ARG  13  -9.731   5.284   5.284
   94   1HD   ARG  13           HD1      ARG  13 -11.887   4.422   4.422
   95   2HD   ARG  13           HD2      ARG  13 -11.230   3.173   3.173
   96    HE   ARG  13           HE       ARG  13 -12.108   4.383   4.383
   97   1HH1  ARG  13          HH21      ARG  13 -11.598   6.830   6.830
   98   2HH1  ARG  13          HH22      ARG  13 -12.678   7.904   7.904
   99   1HH2  ARG  13          HH11      ARG  13 -13.712   5.527   5.527
  100   2HH2  ARG  13          HH12      ARG  13 -13.875   7.167   7.167
  101    H    LYS  14           HN       LYS  14 -12.252   6.756   6.756
  102    HA   LYS  14           HA       LYS  14 -12.389   7.710   7.710
  103   1HB   LYS  14           HB1      LYS  14 -14.152   7.230   7.230
  104   2HB   LYS  14           HB2      LYS  14 -13.964   8.970   8.970
  105   1HG   LYS  14           HG2      LYS  14 -14.202   8.355   8.355
  106   2HG   LYS  14           HG1      LYS  14 -15.552   7.641   7.641
  107   1HD   LYS  14           HD1      LYS  14 -14.986  10.316  10.316
  108   2HD   LYS  14           HD2      LYS  14 -15.280  10.332  10.332
  109   1HE   LYS  14           HE2      LYS  14 -17.444   9.365   9.365
  110   2HE   LYS  14           HE1      LYS  14 -17.107   8.854   8.854
  111   1HZ   LYS  14           HZ3      LYS  14 -16.819  11.204  11.204
  112   2HZ   LYS  14           HZ2      LYS  14 -17.264  11.653  11.653
  113   3HZ   LYS  14           HZ1      LYS  14 -18.386  10.884  10.884
  114    H    SER  15           HN       SER  15 -11.461   9.180   9.180
  115    HA   SER  15           HA       SER  15 -10.834  11.739  11.739
  116   1HB   SER  15           HB2      SER  15 -11.628  10.865  10.865
  117   2HB   SER  15           HB1      SER  15 -10.497  12.215  12.215
  118    HG   SER  15           HG       SER  15 -12.161  13.382  13.382
  119    H    ASN  16           HN       ASN  16  -9.330   8.957   8.957
  120    HA   ASN  16           HA       ASN  16  -6.770  10.291  10.291
  121   1HB   ASN  16           HB1      ASN  16  -7.835   8.349   8.349
  122   2HB   ASN  16           HB2      ASN  16  -7.445   7.341   7.341
  123   1HD2  ASN  16          HD22      ASN  16  -4.521   6.890   6.890
  124   2HD2  ASN  16          HD21      ASN  16  -6.121   6.339   6.339
  125    H    PHE  17           HN       PHE  17  -8.294   9.048   9.048
  126    HA   PHE  17           HA       PHE  17  -6.200   7.771   7.771
  127   1HB   PHE  17           HB2      PHE  17  -8.608   7.937   7.937
  128   2HB   PHE  17           HB1      PHE  17  -8.365   9.640   9.640
  129    HD1  PHE  17           HD2      PHE  17  -6.653  10.262  10.262
  130    HD2  PHE  17           HD1      PHE  17  -8.042   6.242   6.242
  131    HE1  PHE  17           HE2      PHE  17  -5.843   9.646   9.646
  132    HE2  PHE  17           HE1      PHE  17  -7.231   5.625   5.625
  133    HZ   PHE  17           HZ       PHE  17  -6.130   7.328   7.328
  134    H    ALA  18           HN       ALA  18  -7.215  11.183  11.183
  135    HA   ALA  18           HA       ALA  18  -4.959  12.021  12.021
  136   1HB   ALA  18           HB3      ALA  18  -7.328  13.065  13.065
  137   2HB   ALA  18           HB2      ALA  18  -6.336  13.888  13.888
  138   3HB   ALA  18           HB1      ALA  18  -5.985  14.087  14.087
  139    H    GLU  19           HN       GLU  19  -5.245  11.343  11.343
  140    HA   GLU  19           HA       GLU  19  -3.145  13.098  13.098
  141   1HB   GLU  19           HB2      GLU  19  -4.970  12.031  12.031
  142   2HB   GLU  19           HB1      GLU  19  -4.188  10.471  10.471
  143   1HG   GLU  19           HG2      GLU  19  -2.749  10.885  10.885
  144   2HG   GLU  19           HG1      GLU  19  -2.232  12.382  12.382
  145    H    ALA  20           HN       ALA  20  -3.165   9.532   9.532
  146    HA   ALA  20           HA       ALA  20  -0.352   9.175   9.175
  147   1HB   ALA  20           HB2      ALA  20  -2.705   7.663   7.663
  148   2HB   ALA  20           HB1      ALA  20  -1.572   7.266   7.266
  149   3HB   ALA  20           HB3      ALA  20  -1.103   7.043   7.043
  150    H    LEU  21           HN       LEU  21  -2.390  10.034  10.034
  151    HA   LEU  21           HA       LEU  21  -0.607   9.553   9.553
  152   1HB   LEU  21           HB2      LEU  21  -3.030  11.088  11.088
  153   2HB   LEU  21           HB1      LEU  21  -2.056  11.831  11.831
  154    HG   LEU  21           HG       LEU  21  -3.770  10.193  10.193
  155   1HD1  LEU  21          HD22      LEU  21  -0.832  10.012  10.012
  156   2HD1  LEU  21          HD21      LEU  21  -1.854   8.780   8.780
  157   3HD1  LEU  21          HD23      LEU  21  -2.127  10.483  10.483
  158   1HD2  LEU  21          HD13      LEU  21  -2.787   8.603   8.603
  159   2HD2  LEU  21          HD12      LEU  21  -3.921   8.103   8.103
  160   3HD2  LEU  21          HD11      LEU  21  -2.191   7.830   7.830
  161    H    ALA  22           HN       ALA  22  -0.971  12.383  12.383
  162    HA   ALA  22           HA       ALA  22   1.409  13.655  13.655
  163   1HB   ALA  22           HB1      ALA  22  -0.962  14.505  14.505
  164   2HB   ALA  22           HB3      ALA  22   0.497  15.490  15.490
  165   3HB   ALA  22           HB2      ALA  22  -0.284  15.231  15.231
  166    H    ALA  23           HN       ALA  23   0.530  11.808  11.808
  167    HA   ALA  23           HA       ALA  23   2.184  12.880  12.880
  168   1HB   ALA  23           HB2      ALA  23   0.422  11.090  11.090
  169   2HB   ALA  23           HB1      ALA  23   1.560   9.974   9.974
  170   3HB   ALA  23           HB3      ALA  23   1.925  10.667  10.667
  171    H    HIS  24           HN       HIS  24   2.955  10.176  10.176
  172    HA   HIS  24           HA       HIS  24   5.857  10.825  10.825
  173   1HB   HIS  24           HB1      HIS  24   4.244   8.330   8.330
  174   2HB   HIS  24           HB2      HIS  24   5.827   8.224   8.224
  175    HD1  HIS  24           HD1      HIS  24   7.917   8.545   8.545
  176    HD2  HIS  24           HD2      HIS  24   4.318   8.831   8.831
  177    HE1  HIS  24           HE1      HIS  24   8.508   8.482   8.482
  178    H    LYS  25           HN       LYS  25   7.184   9.844   9.844
  179    HA   LYS  25           HA       LYS  25   6.265  11.099  11.099
  180   1HB   LYS  25           HB1      LYS  25   8.630   9.630   9.630
  181   2HB   LYS  25           HB2      LYS  25   8.427   9.625   9.625
  182   1HG   LYS  25           HG1      LYS  25   7.900  12.256  12.256
  183   2HG   LYS  25           HG2      LYS  25   9.180  11.831  11.831
  184   1HD   LYS  25           HD2      LYS  25  10.608  12.235  12.235
  185   2HD   LYS  25           HD1      LYS  25  10.054  10.696  10.696
  186   1HE   LYS  25           HE2      LYS  25   9.389  11.915  11.915
  187   2HE   LYS  25           HE1      LYS  25   8.058  12.474  12.474
  188   1HZ   LYS  25           HZ3      LYS  25  10.756  13.713  13.713
  189   2HZ   LYS  25           HZ2      LYS  25   9.369  14.333  14.333
  190   3HZ   LYS  25           HZ1      LYS  25   9.449  14.253  14.253
  191    H    TYR  26           HN       TYR  26   7.448   7.740   7.740
  192    HA   TYR  26           HA       TYR  26   5.539   6.895   6.895
  193   1HB   TYR  26           HB2      TYR  26   7.683   5.416   5.416
  194   2HB   TYR  26           HB1      TYR  26   6.865   4.814   4.814
  195    HD1  TYR  26           HD2      TYR  26   6.729   7.194   7.194
  196    HD2  TYR  26           HD1      TYR  26   9.909   5.800   5.800
  197    HE1  TYR  26           HE2      TYR  26   8.379   8.374   8.374
  198    HE2  TYR  26           HE1      TYR  26  11.561   6.980   6.980
  199    HH   TYR  26           HH       TYR  26  11.579   7.751   7.751
  200    H    LEU  27           HN       LEU  27   3.482   6.513   6.513
  201    HA   LEU  27           HA       LEU  27   3.232   4.953   4.953
  202   1HB   LEU  27           HB2      LEU  27   2.323   7.480   7.480
  203   2HB   LEU  27           HB1      LEU  27   0.914   6.485   6.485
  204    HG   LEU  27           HG       LEU  27   0.887   7.222   7.222
  205   1HD1  LEU  27          HD21      LEU  27   0.440   4.683   4.683
  206   2HD1  LEU  27          HD23      LEU  27   1.546   4.377   4.377
  207   3HD1  LEU  27          HD22      LEU  27   0.027   5.229   5.229
  208   1HD2  LEU  27          HD13      LEU  27   3.611   6.917   6.917
  209   2HD2  LEU  27          HD12      LEU  27   2.692   7.075   7.075
  210   3HD2  LEU  27          HD11      LEU  27   3.134   5.476   5.476
  211    H    LEU  28           HN       LEU  28   2.632   2.871   2.871
  212    HA   LEU  28           HA       LEU  28   1.176   2.325   2.325
  213   1HB   LEU  28           HB2      LEU  28   3.205   1.053   1.053
  214   2HB   LEU  28           HB1      LEU  28   2.344   0.490   0.490
  215    HG   LEU  28           HG       LEU  28   0.553  -0.384  -0.384
  216   1HD1  LEU  28          HD13      LEU  28   1.783   1.054   1.054
  217   2HD1  LEU  28          HD12      LEU  28   2.727  -0.426  -0.426
  218   3HD1  LEU  28          HD11      LEU  28   0.978  -0.465  -0.465
  219   1HD2  LEU  28          HD23      LEU  28   3.361  -1.523  -1.523
  220   2HD2  LEU  28          HD22      LEU  28   2.021  -1.929  -1.929
  221   3HD2  LEU  28          HD21      LEU  28   1.967  -2.406  -2.406
  222    H    VAL  29           HN       VAL  29  -0.936   1.542   1.542
  223    HA   VAL  29           HA       VAL  29  -2.278   1.093   1.093
  224    HB   VAL  29           HB       VAL  29  -3.344   2.564   2.564
  225   1HG1  VAL  29          HG21      VAL  29  -5.011   1.343   1.343
  226   2HG1  VAL  29          HG23      VAL  29  -4.488   2.365   2.365
  227   3HG1  VAL  29          HG22      VAL  29  -5.251   3.089   3.089
  228   1HG2  VAL  29          HG11      VAL  29  -1.489   3.702   3.702
  229   2HG2  VAL  29          HG13      VAL  29  -3.010   4.592   4.592
  230   3HG2  VAL  29          HG12      VAL  29  -2.603   3.709   3.709
  231    H    GLU  30           HN       GLU  30  -3.463  -0.797  -0.797
  232    HA   GLU  30           HA       GLU  30  -3.881  -2.211  -2.211
  233   1HB   GLU  30           HB1      GLU  30  -2.333  -3.346  -3.346
  234   2HB   GLU  30           HB2      GLU  30  -3.419  -3.162  -3.162
  235   1HG   GLU  30           HG2      GLU  30  -4.993  -4.713  -4.713
  236   2HG   GLU  30           HG1      GLU  30  -4.197  -4.699  -4.699
  237    H    PHE  31           HN       PHE  31  -5.987  -2.470  -2.470
  238    HA   PHE  31           HA       PHE  31  -8.135  -1.894  -1.894
  239   1HB   PHE  31           HB2      PHE  31  -7.927  -2.134  -2.134
  240   2HB   PHE  31           HB1      PHE  31  -9.481  -1.973  -1.973
  241    HD1  PHE  31           HD2      PHE  31  -6.081  -0.382  -0.382
  242    HD2  PHE  31           HD1      PHE  31 -10.316   0.171   0.171
  243    HE1  PHE  31           HE2      PHE  31  -5.745   2.070   2.070
  244    HE2  PHE  31           HE1      PHE  31  -9.979   2.623   2.623
  245    HZ   PHE  31           HZ       PHE  31  -7.694   3.573   3.573
  246    H    TYR  32           HN       TYR  32  -8.511  -3.807  -3.807
  247    HA   TYR  32           HA       TYR  32  -9.261  -6.188  -6.188
  248   1HB   TYR  32           HB2      TYR  32  -7.850  -7.587  -7.587
  249   2HB   TYR  32           HB1      TYR  32  -6.877  -6.152  -6.152
  250    HD1  TYR  32           HD2      TYR  32  -6.891  -4.298  -4.298
  251    HD2  TYR  32           HD1      TYR  32  -8.287  -8.292  -8.292
  252    HE1  TYR  32           HE2      TYR  32  -6.619  -3.943  -3.943
  253    HE2  TYR  32           HE1      TYR  32  -8.012  -7.938  -7.938
  254    HH   TYR  32           HH       TYR  32  -6.407  -5.118  -5.118
  255    H    ALA  33           HN       ALA  33 -10.516  -7.797  -7.797
  256    HA   ALA  33           HA       ALA  33 -12.116  -6.443  -6.443
  257   1HB   ALA  33           HB1      ALA  33 -12.960  -7.053  -7.053
  258   2HB   ALA  33           HB3      ALA  33 -13.395  -8.531  -8.531
  259   3HB   ALA  33           HB2      ALA  33 -14.035  -6.978  -6.978
  260    HA   PRO  34           HA       PRO  34 -11.315 -10.015 -10.015
  261   1HB   PRO  34           HB2      PRO  34 -13.745 -10.521 -10.521
  262   2HB   PRO  34           HB1      PRO  34 -12.700  -9.168  -9.168
  263   1HG   PRO  34           HG2      PRO  34 -15.073  -9.188  -9.188
  264   2HG   PRO  34           HG1      PRO  34 -14.633  -8.020  -8.020
  265   1HD   PRO  34           HD2      PRO  34 -14.192  -7.533  -7.533
  266   2HD   PRO  34           HD1      PRO  34 -13.096  -6.947  -6.947
  267    H    TRP  35           HN       TRP  35 -13.909 -10.124 -10.124
  268    HA   TRP  35           HA       TRP  35 -14.052 -13.090 -13.090
  269   1HB   TRP  35           HB1      TRP  35 -15.873 -12.686 -12.686
  270   2HB   TRP  35           HB2      TRP  35 -16.119 -11.800 -11.800
  271    HD1  TRP  35           HD1      TRP  35 -16.333  -9.256  -9.256
  272    HE1  TRP  35           HE1      TRP  35 -16.094  -7.513  -7.513
  273    HE3  TRP  35           HE3      TRP  35 -14.426 -12.212 -12.212
  274    HZ2  TRP  35           HZ2      TRP  35 -15.209  -7.386  -7.386
  275    HZ3  TRP  35           HZ3      TRP  35 -13.894 -11.253 -11.253
  276    HH2  TRP  35           HH2      TRP  35 -14.284  -8.847  -8.847
  277    H    CYS  36           HN       CYS  36 -12.172 -10.732 -10.732
  278    HA   CYS  36           HA       CYS  36 -11.944 -11.559 -11.559
  279   1HB   CYS  36           HB2      CYS  36 -10.848  -9.600  -9.600
  280   2HB   CYS  36           HB1      CYS  36  -9.834 -10.645 -10.645
  281    H    GLY  37           HN       GLY  37 -10.738 -13.184 -13.184
  282   1HA   GLY  37           HA2      GLY  37  -9.789 -15.393 -15.393
  283   2HA   GLY  37           HA1      GLY  37 -10.309 -15.598 -15.598
  284    H    HIS  38           HN       HIS  38  -7.721 -16.400 -16.400
  285    HA   HIS  38           HA       HIS  38  -5.422 -16.254 -16.254
  286   1HB   HIS  38           HB2      HIS  38  -6.839 -16.303 -16.303
  287   2HB   HIS  38           HB1      HIS  38  -6.281 -14.637 -14.637
  288    HD1  HIS  38           HD1      HIS  38  -4.167 -14.466 -14.466
  289    HD2  HIS  38           HD2      HIS  38  -4.364 -18.052 -18.052
  290    HE1  HIS  38           HE1      HIS  38  -2.028 -15.722 -15.722
  291    H    CYS  39           HN       CYS  39  -6.883 -13.924 -13.924
  292    HA   CYS  39           HA       CYS  39  -5.282 -11.575 -11.575
  293   1HB   CYS  39           HB2      CYS  39  -7.735 -12.184 -12.184
  294   2HB   CYS  39           HB1      CYS  39  -6.728 -11.098 -11.098
  295    H    LYS  40           HN       LYS  40  -5.543 -13.899 -13.899
  296    HA   LYS  40           HA       LYS  40  -3.628 -12.654 -12.654
  297   1HB   LYS  40           HB2      LYS  40  -3.743 -14.937 -14.937
  298   2HB   LYS  40           HB1      LYS  40  -5.324 -14.209 -14.209
  299   1HG   LYS  40           HG2      LYS  40  -4.472 -15.697 -15.697
  300   2HG   LYS  40           HG1      LYS  40  -4.433 -16.726 -16.726
  301   1HD   LYS  40           HD2      LYS  40  -6.810 -14.983 -14.983
  302   2HD   LYS  40           HD1      LYS  40  -6.689 -16.232 -16.232
  303   1HE   LYS  40           HE2      LYS  40  -6.905 -17.961 -17.961
  304   2HE   LYS  40           HE1      LYS  40  -6.160 -17.029 -17.029
  305   1HZ   LYS  40           HZ3      LYS  40  -8.716 -16.178 -16.178
  306   2HZ   LYS  40           HZ2      LYS  40  -8.692 -17.326 -17.326
  307   3HZ   LYS  40           HZ1      LYS  40  -8.072 -15.766 -15.766
  308    H    ALA  41           HN       ALA  41  -3.269 -14.434 -14.434
  309    HA   ALA  41           HA       ALA  41  -0.933 -15.947 -15.947
  310   1HB   ALA  41           HB3      ALA  41  -2.546 -15.369 -15.369
  311   2HB   ALA  41           HB2      ALA  41  -1.250 -14.238 -14.238
  312   3HB   ALA  41           HB1      ALA  41  -0.908 -15.964 -15.964
  313    H    LEU  42           HN       LEU  42  -1.198 -12.449 -12.449
  314    HA   LEU  42           HA       LEU  42   1.735 -12.197 -12.197
  315   1HB   LEU  42           HB1      LEU  42   0.410 -11.469 -11.469
  316   2HB   LEU  42           HB2      LEU  42   0.059 -10.037 -10.037
  317    HG   LEU  42           HG       LEU  42   2.681 -10.204 -10.204
  318   1HD1  LEU  42          HD11      LEU  42   2.339 -11.461 -11.461
  319   2HD1  LEU  42          HD13      LEU  42   3.871 -10.911 -10.911
  320   3HD1  LEU  42          HD12      LEU  42   3.005 -12.253 -12.253
  321   1HD2  LEU  42          HD21      LEU  42   1.022  -8.608  -8.608
  322   2HD2  LEU  42          HD23      LEU  42   2.707  -8.267  -8.267
  323   3HD2  LEU  42          HD22      LEU  42   2.301  -9.086  -9.086
  324    H    ALA  43           HN       ALA  43  -0.634 -12.273 -12.273
  325    HA   ALA  43           HA       ALA  43  -0.908  -9.594  -9.594
  326   1HB   ALA  43           HB1      ALA  43  -1.764 -12.363 -12.363
  327   2HB   ALA  43           HB3      ALA  43  -1.590 -11.367 -11.367
  328   3HB   ALA  43           HB2      ALA  43  -2.672 -10.860 -10.860
  329    HA   PRO  44           HA       PRO  44   2.172 -11.133 -11.133
  330   1HB   PRO  44           HB2      PRO  44   3.397 -13.554 -13.554
  331   2HB   PRO  44           HB1      PRO  44   1.851 -13.361 -13.361
  332   1HG   PRO  44           HG2      PRO  44   2.400 -14.303 -14.303
  333   2HG   PRO  44           HG1      PRO  44   1.160 -14.830 -14.830
  334   1HD   PRO  44           HD1      PRO  44   0.704 -13.141 -13.141
  335   2HD   PRO  44           HD2      PRO  44  -0.310 -13.229 -13.229
  336    H    GLU  45           HN       GLU  45   2.657 -11.148 -11.148
  337    HA   GLU  45           HA       GLU  45   5.626 -11.029 -11.029
  338   1HB   GLU  45           HB2      GLU  45   3.694 -10.989 -10.989
  339   2HB   GLU  45           HB1      GLU  45   5.448 -11.113 -11.113
  340   1HG   GLU  45           HG1      GLU  45   5.263 -13.345 -13.345
  341   2HG   GLU  45           HG2      GLU  45   4.634 -13.116 -13.116
  342    H    TYR  46           HN       TYR  46   2.770  -9.147  -9.147
  343    HA   TYR  46           HA       TYR  46   4.261  -6.747  -6.747
  344   1HB   TYR  46           HB2      TYR  46   2.201  -6.879  -6.879
  345   2HB   TYR  46           HB1      TYR  46   1.439  -7.702  -7.702
  346    HD1  TYR  46           HD1      TYR  46   0.669  -6.388  -6.388
  347    HD2  TYR  46           HD2      TYR  46   2.193  -4.499  -4.499
  348    HE1  TYR  46           HE1      TYR  46  -0.323  -4.235  -4.235
  349    HE2  TYR  46           HE2      TYR  46   1.210  -2.347  -2.347
  350    HH   TYR  46           HH       TYR  46  -1.100  -1.957  -1.957
  351    H    ALA  47           HN       ALA  47   3.079  -8.209  -8.209
  352    HA   ALA  47           HA       ALA  47   3.024  -5.743  -5.743
  353   1HB   ALA  47           HB3      ALA  47   2.711  -8.692  -8.692
  354   2HB   ALA  47           HB2      ALA  47   3.044  -7.697  -7.697
  355   3HB   ALA  47           HB1      ALA  47   1.613  -7.384  -7.384
  356    H    LYS  48           HN       LYS  48   5.382  -8.217  -8.217
  357    HA   LYS  48           HA       LYS  48   7.270  -7.427  -7.427
  358   1HB   LYS  48           HB2      LYS  48   7.022  -9.417  -9.417
  359   2HB   LYS  48           HB1      LYS  48   8.669  -8.965  -8.965
  360   1HG   LYS  48           HG2      LYS  48   8.487  -9.846  -9.846
  361   2HG   LYS  48           HG1      LYS  48   6.749  -9.557  -9.557
  362   1HD   LYS  48           HD2      LYS  48   6.858 -11.356 -11.356
  363   2HD   LYS  48           HD1      LYS  48   8.223 -11.892 -11.892
  364   1HE   LYS  48           HE2      LYS  48   5.926 -11.258 -11.258
  365   2HE   LYS  48           HE1      LYS  48   5.530 -12.501 -12.501
  366   1HZ   LYS  48           HZ1      LYS  48   8.027 -12.539 -12.539
  367   2HZ   LYS  48           HZ3      LYS  48   6.618 -13.347 -13.347
  368   3HZ   LYS  48           HZ2      LYS  48   7.389 -13.786 -13.786
  369    H    ALA  49           HN       ALA  49   6.482  -6.327  -6.327
  370    HA   ALA  49           HA       ALA  49   9.117  -5.312  -5.312
  371   1HB   ALA  49           HB2      ALA  49   6.278  -4.971  -4.971
  372   2HB   ALA  49           HB1      ALA  49   7.590  -4.024  -4.024
  373   3HB   ALA  49           HB3      ALA  49   7.620  -5.784  -5.784
  374    H    ALA  50           HN       ALA  50   6.247  -4.016  -4.016
  375    HA   ALA  50           HA       ALA  50   7.076  -1.249  -1.249
  376   1HB   ALA  50           HB1      ALA  50   4.855  -2.773  -2.773
  377   2HB   ALA  50           HB3      ALA  50   5.433  -2.173  -2.173
  378   3HB   ALA  50           HB2      ALA  50   5.026  -1.037  -1.037
  379    H    GLY  51           HN       GLY  51   7.755  -4.022  -4.022
  380   1HA   GLY  51           HA2      GLY  51   8.823  -2.542  -2.542
  381   2HA   GLY  51           HA1      GLY  51   9.125  -4.247  -4.247
  382    H    LYS  52           HN       LYS  52  10.064  -3.451  -3.451
  383    HA   LYS  52           HA       LYS  52  12.863  -3.412  -3.412
  384   1HB   LYS  52           HB2      LYS  52  11.139  -2.499  -2.499
  385   2HB   LYS  52           HB1      LYS  52  12.890  -2.682  -2.682
  386   1HG   LYS  52           HG1      LYS  52  11.470  -5.005  -5.005
  387   2HG   LYS  52           HG2      LYS  52  11.116  -4.686  -4.686
  388   1HD   LYS  52           HD2      LYS  52  13.390  -4.899  -4.899
  389   2HD   LYS  52           HD1      LYS  52  13.954  -4.727  -4.727
  390   1HE   LYS  52           HE2      LYS  52  12.199  -6.945  -6.945
  391   2HE   LYS  52           HE1      LYS  52  13.234  -7.149  -7.149
  392   1HZ   LYS  52           HZ3      LYS  52  15.118  -6.439  -6.439
  393   2HZ   LYS  52           HZ2      LYS  52  14.057  -6.728  -6.728
  394   3HZ   LYS  52           HZ1      LYS  52  14.494  -7.995  -7.995
  395    H    LEU  53           HN       LEU  53  10.654  -0.712  -0.712
  396    HA   LEU  53           HA       LEU  53  12.542   1.393   1.393
  397   1HB   LEU  53           HB1      LEU  53  10.405   1.932   1.932
  398   2HB   LEU  53           HB2      LEU  53   9.607   1.042   1.042
  399    HG   LEU  53           HG       LEU  53  11.188   3.337   3.337
  400   1HD1  LEU  53          HD22      LEU  53  10.110   3.969   3.969
  401   2HD1  LEU  53          HD21      LEU  53   8.613   4.015   4.015
  402   3HD1  LEU  53          HD23      LEU  53   9.954   5.074   5.074
  403   1HD2  LEU  53          HD12      LEU  53   8.712   1.872   1.872
  404   2HD2  LEU  53          HD11      LEU  53   9.797   2.724   2.724
  405   3HD2  LEU  53          HD13      LEU  53   8.558   3.616   3.616
  406    H    LYS  54           HN       LYS  54  10.677   0.031   0.031
  407    HA   LYS  54           HA       LYS  54  11.427   1.667   1.667
  408   1HB   LYS  54           HB2      LYS  54   9.989  -0.530  -0.530
  409   2HB   LYS  54           HB1      LYS  54  11.484  -1.328  -1.328
  410   1HG   LYS  54           HG2      LYS  54  11.409  -0.465  -0.465
  411   2HG   LYS  54           HG1      LYS  54  10.664   1.044   1.044
  412   1HD   LYS  54           HD2      LYS  54   8.886  -1.197  -1.197
  413   2HD   LYS  54           HD1      LYS  54   9.367  -1.129  -1.129
  414   1HE   LYS  54           HE2      LYS  54   7.661   0.405   0.405
  415   2HE   LYS  54           HE1      LYS  54   8.876   1.521   1.521
  416   1HZ   LYS  54           HZ1      LYS  54   8.186   0.624   0.624
  417   2HZ   LYS  54           HZ3      LYS  54   6.826  -0.025  -0.025
  418   3HZ   LYS  54           HZ2      LYS  54   7.078   1.655   1.655
  419    H    ALA  55           HN       ALA  55  13.426  -0.622  -0.622
  420    HA   ALA  55           HA       ALA  55  15.681  -0.095  -0.095
  421   1HB   ALA  55           HB3      ALA  55  14.721  -2.449  -2.449
  422   2HB   ALA  55           HB2      ALA  55  15.422  -2.359  -2.359
  423   3HB   ALA  55           HB1      ALA  55  16.465  -2.275  -2.275
  424    H    GLU  56           HN       GLU  56  14.528   0.489   0.489
  425    HA   GLU  56           HA       GLU  56  17.301   1.097   1.097
  426   1HB   GLU  56           HB2      GLU  56  14.716   0.400   0.400
  427   2HB   GLU  56           HB1      GLU  56  16.184   0.895   0.895
  428   1HG   GLU  56           HG2      GLU  56  16.459  -1.288  -1.288
  429   2HG   GLU  56           HG1      GLU  56  15.621  -1.687  -1.687
  430    H    GLY  57           HN       GLY  57  13.966   2.291   2.291
  431   1HA   GLY  57           HA1      GLY  57  13.141   4.488   4.488
  432   2HA   GLY  57           HA2      GLY  57  14.788   5.027   5.027
  433    H    SER  58           HN       SER  58  13.382   3.239   3.239
  434    HA   SER  58           HA       SER  58  14.843   5.042   5.042
  435   1HB   SER  58           HB2      SER  58  13.622   2.359   2.359
  436   2HB   SER  58           HB1      SER  58  13.438   3.241   3.241
  437    HG   SER  58           HG       SER  58  15.462   1.925   1.925
  438    H    GLU  59           HN       GLU  59  12.897   6.404   6.404
  439    HA   GLU  59           HA       GLU  59  10.859   7.630   7.630
  440   1HB   GLU  59           HB1      GLU  59  11.066   9.007   9.007
  441   2HB   GLU  59           HB2      GLU  59  12.646   8.750   8.750
  442   1HG   GLU  59           HG2      GLU  59  13.276   7.153   7.153
  443   2HG   GLU  59           HG1      GLU  59  11.614   6.927   6.927
  444    H    ILE  60           HN       ILE  60  10.370   4.796   4.796
  445    HA   ILE  60           HA       ILE  60   8.215   5.129   5.129
  446    HB   ILE  60           HB       ILE  60   8.672   2.693   2.693
  447   1HG1  ILE  60          HG11      ILE  60  11.052   3.228   3.228
  448   2HG1  ILE  60          HG12      ILE  60   9.733   2.107   2.107
  449   1HG2  ILE  60          HG21      ILE  60  10.370   5.007   5.007
  450   2HG2  ILE  60          HG23      ILE  60  11.224   3.476   3.476
  451   3HG2  ILE  60          HG22      ILE  60   9.746   3.777   3.777
  452   1HD1  ILE  60          HD13      ILE  60  10.707   1.440   1.440
  453   2HD1  ILE  60          HD12      ILE  60  12.130   1.707   1.707
  454   3HD1  ILE  60          HD11      ILE  60  10.916   0.522   0.522
  455    H    ARG  61           HN       ARG  61   6.270   3.842   3.842
  456    HA   ARG  61           HA       ARG  61   6.039   2.511   2.511
  457   1HB   ARG  61           HB2      ARG  61   5.185   5.246   5.246
  458   2HB   ARG  61           HB1      ARG  61   3.895   4.257   4.257
  459   1HG   ARG  61           HG2      ARG  61   5.716   3.542   3.542
  460   2HG   ARG  61           HG1      ARG  61   6.541   5.009   5.009
  461   1HD   ARG  61           HD2      ARG  61   4.368   6.265   6.265
  462   2HD   ARG  61           HD1      ARG  61   3.781   4.788   4.788
  463    HE   ARG  61           HE       ARG  61   6.370   6.024   6.024
  464   1HH1  ARG  61          HH21      ARG  61   4.539   3.560   3.560
  465   2HH1  ARG  61          HH22      ARG  61   4.105   4.182   4.182
  466   1HH2  ARG  61          HH11      ARG  61   5.236   7.390   7.390
  467   2HH2  ARG  61          HH12      ARG  61   4.499   6.350   6.350
  468    H    LEU  62           HN       LEU  62   4.201   1.165   1.165
  469    HA   LEU  62           HA       LEU  62   2.742   0.742   0.742
  470   1HB   LEU  62           HB2      LEU  62   3.690  -0.979  -0.979
  471   2HB   LEU  62           HB1      LEU  62   2.323  -1.524  -1.524
  472    HG   LEU  62           HG       LEU  62   3.840  -0.978  -0.978
  473   1HD1  LEU  62          HD23      LEU  62   5.882  -1.181  -1.181
  474   2HD1  LEU  62          HD22      LEU  62   6.265  -1.216  -1.216
  475   3HD1  LEU  62          HD21      LEU  62   5.573   0.238   0.238
  476   1HD2  LEU  62          HD11      LEU  62   3.429  -3.283  -3.283
  477   2HD2  LEU  62          HD13      LEU  62   3.994  -3.224  -3.224
  478   3HD2  LEU  62          HD12      LEU  62   5.159  -3.249  -3.249
  479    H    ALA  63           HN       ALA  63   0.413   0.151   0.151
  480    HA   ALA  63           HA       ALA  63  -0.857   0.827   0.827
  481   1HB   ALA  63           HB3      ALA  63  -0.417   2.739   2.739
  482   2HB   ALA  63           HB2      ALA  63  -2.107   2.279   2.279
  483   3HB   ALA  63           HB1      ALA  63  -1.546   2.880   2.880
  484    H    LYS  64           HN       LYS  64  -3.308   0.486   0.486
  485    HA   LYS  64           HA       LYS  64  -4.179  -1.254  -1.254
  486   1HB   LYS  64           HB1      LYS  64  -2.983  -2.254  -2.254
  487   2HB   LYS  64           HB2      LYS  64  -4.711  -2.547  -2.547
  488   1HG   LYS  64           HG2      LYS  64  -4.569  -3.400  -3.400
  489   2HG   LYS  64           HG1      LYS  64  -2.849  -3.568  -3.568
  490   1HD   LYS  64           HD2      LYS  64  -4.790  -4.650  -4.650
  491   2HD   LYS  64           HD1      LYS  64  -4.565  -5.551  -5.551
  492   1HE   LYS  64           HE1      LYS  64  -2.123  -5.622  -5.622
  493   2HE   LYS  64           HE2      LYS  64  -2.350  -4.723  -4.723
  494   1HZ   LYS  64           HZ3      LYS  64  -3.883  -7.188  -7.188
  495   2HZ   LYS  64           HZ2      LYS  64  -2.343  -7.266  -7.266
  496   3HZ   LYS  64           HZ1      LYS  64  -3.608  -6.448  -6.448
  497    H    VAL  65           HN       VAL  65  -6.479  -1.525  -1.525
  498    HA   VAL  65           HA       VAL  65  -8.053  -0.099  -0.099
  499    HB   VAL  65           HB       VAL  65  -7.666   1.523   1.523
  500   1HG1  VAL  65          HG21      VAL  65  -8.520  -0.741  -0.741
  501   2HG1  VAL  65          HG23      VAL  65  -8.451   0.933   0.933
  502   3HG1  VAL  65          HG22      VAL  65  -6.981   0.118   0.118
  503   1HG2  VAL  65          HG11      VAL  65 -10.410   0.253   0.253
  504   2HG2  VAL  65          HG13      VAL  65  -9.949   1.490   1.490
  505   3HG2  VAL  65          HG12      VAL  65  -9.989   1.878   1.878
  506    H    ASP  66           HN       ASP  66 -10.211  -0.908  -0.908
  507    HA   ASP  66           HA       ASP  66 -10.598  -3.606  -3.606
  508   1HB   ASP  66           HB2      ASP  66 -11.538  -2.024  -2.024
  509   2HB   ASP  66           HB1      ASP  66 -12.699  -3.175  -3.175
  510    H    ALA  67           HN       ALA  67 -11.280  -3.170  -3.170
  511    HA   ALA  67           HA       ALA  67 -12.996  -1.165  -1.165
  512   1HB   ALA  67           HB3      ALA  67 -11.793  -3.539  -3.539
  513   2HB   ALA  67           HB2      ALA  67 -13.513  -3.744  -3.744
  514   3HB   ALA  67           HB1      ALA  67 -12.647  -2.354  -2.354
  515    H    THR  68           HN       THR  68 -13.790  -3.974  -3.974
  516    HA   THR  68           HA       THR  68 -16.638  -3.994  -3.994
  517    HB   THR  68           HB       THR  68 -15.411  -5.972  -5.972
  518    HG1  THR  68           HG1      THR  68 -16.883  -6.616  -6.616
  519   1HG2  THR  68          HG23      THR  68 -14.702  -4.140  -4.140
  520   2HG2  THR  68          HG22      THR  68 -14.821  -5.870  -5.870
  521   3HG2  THR  68          HG21      THR  68 -13.680  -5.272  -5.272
  522    H    GLU  69           HN       GLU  69 -14.815  -1.725  -1.725
  523    HA   GLU  69           HA       GLU  69 -17.200  -0.858  -0.858
  524   1HB   GLU  69           HB2      GLU  69 -14.903  -2.093  -2.093
  525   2HB   GLU  69           HB1      GLU  69 -14.654  -0.373  -0.373
  526   1HG   GLU  69           HG1      GLU  69 -17.365  -1.463  -1.463
  527   2HG   GLU  69           HG2      GLU  69 -16.064  -1.930  -1.930
  528    H    GLU  70           HN       GLU  70 -13.961  -0.095  -0.095
  529    HA   GLU  70           HA       GLU  70 -14.494   2.809   2.809
  530   1HB   GLU  70           HB1      GLU  70 -12.203   0.923   0.923
  531   2HB   GLU  70           HB2      GLU  70 -12.060   2.588   2.588
  532   1HG   GLU  70           HG2      GLU  70 -11.641   3.261   3.261
  533   2HG   GLU  70           HG1      GLU  70 -13.181   2.578   2.578
  534    H    SER  71           HN       SER  71 -16.058   1.083   1.083
  535    HA   SER  71           HA       SER  71 -15.070   1.104   1.104
  536   1HB   SER  71           HB2      SER  71 -17.956   1.540   1.540
  537   2HB   SER  71           HB1      SER  71 -17.286   0.527   0.527
  538    HG   SER  71           HG       SER  71 -18.064  -0.419  -0.419
  539    H    ASP  72           HN       ASP  72 -16.177   3.715   3.715
  540    HA   ASP  72           HA       ASP  72 -17.233   5.553   5.553
  541   1HB   ASP  72           HB2      ASP  72 -16.273   5.481   5.481
  542   2HB   ASP  72           HB1      ASP  72 -15.447   6.827   6.827
  543    H    LEU  73           HN       LEU  73 -13.954   4.396   4.396
  544    HA   LEU  73           HA       LEU  73 -12.993   6.540   6.540
  545   1HB   LEU  73           HB2      LEU  73 -11.522   4.578   4.578
  546   2HB   LEU  73           HB1      LEU  73 -10.763   5.851   5.851
  547    HG   LEU  73           HG       LEU  73 -12.700   7.244   7.244
  548   1HD1  LEU  73          HD12      LEU  73 -12.355   4.752   4.752
  549   2HD1  LEU  73          HD11      LEU  73 -11.637   6.018   6.018
  550   3HD1  LEU  73          HD13      LEU  73 -13.325   6.138   6.138
  551   1HD2  LEU  73          HD21      LEU  73 -10.310   7.850   7.850
  552   2HD2  LEU  73          HD23      LEU  73 -10.833   8.097   8.097
  553   3HD2  LEU  73          HD22      LEU  73  -9.863   6.685   6.685
  554    H    ALA  74           HN       ALA  74 -13.201   3.042   3.042
  555    HA   ALA  74           HA       ALA  74 -11.696   2.237   2.237
  556   1HB   ALA  74           HB1      ALA  74 -13.918   1.040   1.040
  557   2HB   ALA  74           HB3      ALA  74 -13.178   0.147   0.147
  558   3HB   ALA  74           HB2      ALA  74 -12.199   0.655   0.655
  559    H    GLN  75           HN       GLN  75 -15.219   2.712   2.712
  560    HA   GLN  75           HA       GLN  75 -16.108   2.068   2.068
  561   1HB   GLN  75           HB2      GLN  75 -17.152   3.054   3.054
  562   2HB   GLN  75           HB1      GLN  75 -17.349   4.430   4.430
  563   1HG   GLN  75           HG2      GLN  75 -18.697   3.207   3.207
  564   2HG   GLN  75           HG1      GLN  75 -18.164   1.656   1.656
  565   1HE2  GLN  75          HE22      GLN  75 -21.548   2.326   2.326
  566   2HE2  GLN  75          HE21      GLN  75 -20.912   2.071   2.071
  567    H    GLN  76           HN       GLN  76 -14.607   5.032   5.032
  568    HA   GLN  76           HA       GLN  76 -15.090   6.780   6.780
  569   1HB   GLN  76           HB1      GLN  76 -13.824   6.898   6.898
  570   2HB   GLN  76           HB2      GLN  76 -12.419   6.767   6.767
  571   1HG   GLN  76           HG2      GLN  76 -12.916   9.119   9.119
  572   2HG   GLN  76           HG1      GLN  76 -13.372   8.660   8.660
  573   1HE2  GLN  76          HE22      GLN  76 -16.220   9.926   9.926
  574   2HE2  GLN  76          HE21      GLN  76 -14.594   9.801   9.801
  575    H    TYR  77           HN       TYR  77 -12.333   4.564   4.564
  576    HA   TYR  77           HA       TYR  77 -11.269   5.087   5.087
  577   1HB   TYR  77           HB2      TYR  77 -10.602   3.367   3.367
  578   2HB   TYR  77           HB1      TYR  77  -9.791   3.078   3.078
  579    HD1  TYR  77           HD1      TYR  77 -10.576   5.769   5.769
  580    HD2  TYR  77           HD2      TYR  77  -7.980   4.427   4.427
  581    HE1  TYR  77           HE1      TYR  77  -9.056   7.679   7.679
  582    HE2  TYR  77           HE2      TYR  77  -6.460   6.336   6.336
  583    HH   TYR  77           HH       TYR  77  -6.549   8.561   8.561
  584    H    GLY  78           HN       GLY  78 -13.003   2.472   2.472
  585   1HA   GLY  78           HA1      GLY  78 -14.697   1.321   1.321
  586   2HA   GLY  78           HA2      GLY  78 -13.342   1.125   1.125
  587    H    VAL  79           HN       VAL  79 -11.301   0.221   0.221
  588    HA   VAL  79           HA       VAL  79 -10.427  -1.775  -1.775
  589    HB   VAL  79           HB       VAL  79 -12.719  -1.043  -1.043
  590   1HG1  VAL  79          HG11      VAL  79 -11.004  -3.327  -3.327
  591   2HG1  VAL  79          HG13      VAL  79 -10.531  -2.280  -2.280
  592   3HG1  VAL  79          HG12      VAL  79 -12.194  -2.850  -2.850
  593   1HG2  VAL  79          HG22      VAL  79 -10.530   0.444   0.444
  594   2HG2  VAL  79          HG21      VAL  79 -11.322   0.500   0.500
  595   3HG2  VAL  79          HG23      VAL  79  -9.892  -0.507  -0.507
  596    H    ARG  80           HN       ARG  80 -11.131  -3.177  -3.177
  597    HA   ARG  80           HA       ARG  80 -13.556  -4.820  -4.820
  598   1HB   ARG  80           HB2      ARG  80 -12.355  -3.704  -3.704
  599   2HB   ARG  80           HB1      ARG  80 -13.220  -5.234  -5.234
  600   1HG   ARG  80           HG2      ARG  80 -14.418  -2.831  -2.831
  601   2HG   ARG  80           HG1      ARG  80 -14.601  -3.087  -3.087
  602   1HD   ARG  80           HD2      ARG  80 -15.883  -5.039  -5.039
  603   2HD   ARG  80           HD1      ARG  80 -15.280  -5.298  -5.298
  604    HE   ARG  80           HE       ARG  80 -16.547  -2.778  -2.778
  605   1HH1  ARG  80          HH21      ARG  80 -18.026  -5.067  -5.067
  606   2HH1  ARG  80          HH22      ARG  80 -19.350  -5.368  -5.368
  607   1HH2  ARG  80          HH11      ARG  80 -17.960  -3.595  -3.595
  608   2HH2  ARG  80          HH12      ARG  80 -19.313  -4.535  -4.535
  609    H    GLY  81           HN       GLY  81 -10.713  -5.228  -5.228
  610   1HA   GLY  81           HA2      GLY  81 -10.536  -8.058  -8.058
  611   2HA   GLY  81           HA1      GLY  81  -9.249  -7.122  -7.122
  612    H    TYR  82           HN       TYR  82 -10.504  -8.331  -8.331
  613    HA   TYR  82           HA       TYR  82  -8.491  -6.919  -6.919
  614   1HB   TYR  82           HB2      TYR  82 -10.481  -9.123  -9.123
  615   2HB   TYR  82           HB1      TYR  82  -9.613  -8.148  -8.148
  616    HD1  TYR  82           HD2      TYR  82 -12.249  -8.131  -8.131
  617    HD2  TYR  82           HD1      TYR  82 -10.206  -5.833  -5.833
  618    HE1  TYR  82           HE2      TYR  82 -14.008  -6.388  -6.388
  619    HE2  TYR  82           HE1      TYR  82 -11.964  -4.089  -4.089
  620    HH   TYR  82           HH       TYR  82 -14.576  -4.174  -4.174
  621    HA   PRO  83           HA       PRO  83  -7.342  -7.111  -7.111
  622   1HB   PRO  83           HB1      PRO  83  -4.692  -7.102  -7.102
  623   2HB   PRO  83           HB2      PRO  83  -5.887  -8.113  -8.113
  624   1HG   PRO  83           HG2      PRO  83  -3.803  -8.862  -8.862
  625   2HG   PRO  83           HG1      PRO  83  -4.598  -9.839  -9.839
  626   1HD   PRO  83           HD1      PRO  83  -5.130  -9.813  -9.813
  627   2HD   PRO  83           HD2      PRO  83  -6.016 -10.694 -10.694
  628    H    THR  84           HN       THR  84  -7.058  -5.031  -5.031
  629    HA   THR  84           HA       THR  84  -5.379  -4.707  -4.707
  630    HB   THR  84           HB       THR  84  -7.310  -2.732  -2.732
  631    HG1  THR  84           HG1      THR  84  -8.947  -3.811  -3.811
  632   1HG2  THR  84          HG22      THR  84  -6.287  -3.283  -3.283
  633   2HG2  THR  84          HG21      THR  84  -7.612  -2.172  -2.172
  634   3HG2  THR  84          HG23      THR  84  -5.997  -1.845  -1.845
  635    H    ILE  85           HN       ILE  85  -3.273  -4.266  -4.266
  636    HA   ILE  85           HA       ILE  85  -2.882  -2.321  -2.321
  637    HB   ILE  85           HB       ILE  85  -1.069  -4.242  -4.242
  638   1HG1  ILE  85          HG11      ILE  85  -1.007  -5.081  -5.081
  639   2HG1  ILE  85          HG12      ILE  85  -2.570  -4.270  -4.270
  640   1HG2  ILE  85          HG21      ILE  85   0.152  -2.207  -2.207
  641   2HG2  ILE  85          HG23      ILE  85  -0.432  -2.496  -2.496
  642   3HG2  ILE  85          HG22      ILE  85   0.657  -3.653  -3.653
  643   1HD1  ILE  85          HD11      ILE  85  -2.045  -6.047  -6.047
  644   2HD1  ILE  85          HD13      ILE  85  -2.327  -6.826  -6.826
  645   3HD1  ILE  85          HD12      ILE  85  -3.550  -5.756  -5.756
  646    H    LYS  86           HN       LYS  86  -2.818  -0.215  -0.215
  647    HA   LYS  86           HA       LYS  86  -1.527   0.365   0.365
  648   1HB   LYS  86           HB1      LYS  86  -3.190   2.139   2.139
  649   2HB   LYS  86           HB2      LYS  86  -2.764   2.456   2.456
  650   1HG   LYS  86           HG2      LYS  86  -3.957   0.154   0.154
  651   2HG   LYS  86           HG1      LYS  86  -4.729   0.475   0.475
  652   1HD   LYS  86           HD2      LYS  86  -5.777   2.427   2.427
  653   2HD   LYS  86           HD1      LYS  86  -4.650   2.605   2.605
  654   1HE   LYS  86           HE2      LYS  86  -5.629   0.697   0.697
  655   2HE   LYS  86           HE1      LYS  86  -6.667   0.344   0.344
  656   1HZ   LYS  86           HZ1      LYS  86  -7.426   2.748   2.748
  657   2HZ   LYS  86           HZ3      LYS  86  -6.716   2.713   2.713
  658   3HZ   LYS  86           HZ2      LYS  86  -7.990   1.651   1.651
  659    H    PHE  87           HN       PHE  87  -0.153   2.409   2.409
  660    HA   PHE  87           HA       PHE  87   1.339   2.658   2.658
  661   1HB   PHE  87           HB2      PHE  87   2.568   1.444   1.444
  662   2HB   PHE  87           HB1      PHE  87   2.316   2.784   2.784
  663    HD1  PHE  87           HD1      PHE  87   3.202   2.787   2.787
  664    HD2  PHE  87           HD2      PHE  87   4.426   3.758   3.758
  665    HE1  PHE  87           HE1      PHE  87   5.223   3.913   3.913
  666    HE2  PHE  87           HE2      PHE  87   6.447   4.883   4.883
  667    HZ   PHE  87           HZ       PHE  87   6.846   4.961   4.961
  668    H    PHE  88           HN       PHE  88   1.202   4.702   4.702
  669    HA   PHE  88           HA       PHE  88   0.432   6.938   6.938
  670   1HB   PHE  88           HB2      PHE  88   0.263   6.374   6.374
  671   2HB   PHE  88           HB1      PHE  88   0.025   8.002   8.002
  672    HD1  PHE  88           HD2      PHE  88  -1.524   7.957   7.957
  673    HD2  PHE  88           HD1      PHE  88  -1.684   5.158   5.158
  674    HE1  PHE  88           HE2      PHE  88  -3.853   7.372   7.372
  675    HE2  PHE  88           HE1      PHE  88  -4.013   4.573   4.573
  676    HZ   PHE  88           HZ       PHE  88  -5.097   5.687   5.687
  677    H    ARG  89           HN       ARG  89   1.799   8.710   8.710
  678    HA   ARG  89           HA       ARG  89   4.449   8.566   8.566
  679   1HB   ARG  89           HB2      ARG  89   4.135   8.193   8.193
  680   2HB   ARG  89           HB1      ARG  89   3.897   9.939   9.939
  681   1HG   ARG  89           HG2      ARG  89   6.086  10.176  10.176
  682   2HG   ARG  89           HG1      ARG  89   6.334   8.448   8.448
  683   1HD   ARG  89           HD2      ARG  89   6.737   8.705   8.705
  684   2HD   ARG  89           HD1      ARG  89   5.639  10.093  10.093
  685    HE   ARG  89           HE       ARG  89   7.662  11.001  11.001
  686   1HH1  ARG  89          HH11      ARG  89   6.947  11.038  11.038
  687   2HH1  ARG  89          HH12      ARG  89   8.574  11.199  11.199
  688   1HH2  ARG  89          HH21      ARG  89  10.005  10.582  10.582
  689   2HH2  ARG  89          HH22      ARG  89  10.305  10.941  10.941
  690    H    ASN  90           HN       ASN  90   4.009  10.008  10.008
  691    HA   ASN  90           HA       ASN  90   3.625  12.090  12.090
  692   1HB   ASN  90           HB2      ASN  90   5.656  12.457  12.457
  693   2HB   ASN  90           HB1      ASN  90   4.625  13.001  13.001
  694   1HD2  ASN  90          HD21      ASN  90   6.168  13.982  13.982
  695   2HD2  ASN  90          HD22      ASN  90   5.518  15.548  15.548
  696    H    GLY  91           HN       GLY  91   1.199  11.421  11.421
  697   1HA   GLY  91           HA1      GLY  91  -0.973  12.073  12.073
  698   2HA   GLY  91           HA2      GLY  91  -0.315  13.707  13.707
  699    H    ASP  92           HN       ASP  92  -0.859  10.837  10.837
  700    HA   ASP  92           HA       ASP  92  -0.251  12.399  12.399
  701   1HB   ASP  92           HB1      ASP  92   0.710  10.118  10.118
  702   2HB   ASP  92           HB2      ASP  92  -0.928   9.468   9.468
  703    H    THR  93           HN       THR  93  -2.745   9.985   9.985
  704    HA   THR  93           HA       THR  93  -5.007   9.824   9.824
  705    HB   THR  93           HB       THR  93  -6.259  11.791  11.791
  706    HG1  THR  93           HG1      THR  93  -5.036  13.400  13.400
  707   1HG2  THR  93          HG22      THR  93  -3.772  11.282  11.282
  708   2HG2  THR  93          HG21      THR  93  -5.232  12.077  12.077
  709   3HG2  THR  93          HG23      THR  93  -5.289  10.386  10.386
  710    H    ALA  94           HN       ALA  94  -3.330  10.128  10.128
  711    HA   ALA  94           HA       ALA  94  -5.229  11.370  11.370
  712   1HB   ALA  94           HB3      ALA  94  -3.806  13.235  13.235
  713   2HB   ALA  94           HB2      ALA  94  -2.370  12.342  12.342
  714   3HB   ALA  94           HB1      ALA  94  -3.518  12.913  12.913
  715    H    SER  95           HN       SER  95  -1.995   9.958   9.958
  716    HA   SER  95           HA       SER  95  -2.543   8.104   8.104
  717   1HB   SER  95           HB2      SER  95  -0.792  10.419  10.419
  718   2HB   SER  95           HB1      SER  95   0.136   8.947   8.947
  719    HG   SER  95           HG       SER  95  -0.657   8.921   8.921
  720    HA   PRO  96           HA       PRO  96  -0.316   6.339   6.339
  721   1HB   PRO  96           HB1      PRO  96  -2.169   4.419   4.419
  722   2HB   PRO  96           HB2      PRO  96  -2.219   6.060   6.060
  723   1HG   PRO  96           HG2      PRO  96  -3.776   4.873   4.873
  724   2HG   PRO  96           HG1      PRO  96  -4.299   6.000   6.000
  725   1HD   PRO  96           HD2      PRO  96  -3.706   6.767   6.767
  726   2HD   PRO  96           HD1      PRO  96  -3.538   7.833   7.833
  727    H    LYS  97           HN       LYS  97   1.026   4.540   4.540
  728    HA   LYS  97           HA       LYS  97   0.663   2.956   2.956
  729   1HB   LYS  97           HB2      LYS  97   2.903   3.790   3.790
  730   2HB   LYS  97           HB1      LYS  97   3.103   2.296   2.296
  731   1HG   LYS  97           HG2      LYS  97   2.354   3.664   3.664
  732   2HG   LYS  97           HG1      LYS  97   2.643   5.090   5.090
  733   1HD   LYS  97           HD2      LYS  97   4.960   4.504   4.504
  734   2HD   LYS  97           HD1      LYS  97   4.713   2.924   2.924
  735   1HE   LYS  97           HE2      LYS  97   4.017   5.373   5.373
  736   2HE   LYS  97           HE1      LYS  97   5.723   4.907   4.907
  737   1HZ   LYS  97           HZ1      LYS  97   3.610   2.944   2.944
  738   2HZ   LYS  97           HZ3      LYS  97   4.424   3.822   3.822
  739   3HZ   LYS  97           HZ2      LYS  97   5.292   2.782   2.782
  740    H    GLU  98           HN       GLU  98   0.362   0.723   0.723
  741    HA   GLU  98           HA       GLU  98  -0.359  -0.445  -0.445
  742   1HB   GLU  98           HB2      GLU  98  -1.708  -0.755  -0.755
  743   2HB   GLU  98           HB1      GLU  98  -0.335  -1.546  -1.546
  744   1HG   GLU  98           HG2      GLU  98  -1.116  -3.486  -3.486
  745   2HG   GLU  98           HG1      GLU  98  -0.623  -2.893  -2.893
  746    H    TYR  99           HN       TYR  99   0.732  -2.243  -2.243
  747    HA   TYR  99           HA       TYR  99   3.584  -2.381  -2.381
  748   1HB   TYR  99           HB1      TYR  99   1.575  -3.276  -3.276
  749   2HB   TYR  99           HB2      TYR  99   2.493  -4.699  -4.699
  750    HD1  TYR  99           HD1      TYR  99   2.708  -1.359  -1.359
  751    HD2  TYR  99           HD2      TYR  99   4.831  -4.954  -4.954
  752    HE1  TYR  99           HE1      TYR  99   4.577  -0.670  -0.670
  753    HE2  TYR  99           HE2      TYR  99   6.699  -4.266  -4.266
  754    HH   TYR  99           HH       TYR  99   7.621  -2.278  -2.278
  755    H    THR 100           HN       THR 100   4.817  -4.134  -4.134
  756    HA   THR 100           HA       THR 100   3.317  -5.751  -5.751
  757    HB   THR 100           HB       THR 100   5.465  -5.746  -5.746
  758    HG1  THR 100           HG1      THR 100   7.254  -5.176  -5.176
  759   1HG2  THR 100          HG23      THR 100   3.819  -3.662  -3.662
  760   2HG2  THR 100          HG22      THR 100   5.230  -2.915  -2.915
  761   3HG2  THR 100          HG21      THR 100   5.338  -3.552  -3.552
  762    H    ALA 101           HN       ALA 101   5.627  -5.915  -5.915
  763    HA   ALA 101           HA       ALA 101   6.381  -8.680  -8.680
  764   1HB   ALA 101           HB1      ALA 101   7.459  -6.752  -6.752
  765   2HB   ALA 101           HB3      ALA 101   6.281  -7.152  -7.152
  766   3HB   ALA 101           HB2      ALA 101   7.462  -8.356  -8.356
  767    H    GLY 102           HN       GLY 102   5.833  -9.555  -9.555
  768   1HA   GLY 102           HA2      GLY 102   3.499  -9.681  -9.681
  769   2HA   GLY 102           HA1      GLY 102   2.975 -10.308 -10.308
  770    H    ARG 103           HN       ARG 103   5.303 -10.920 -10.920
  771    HA   ARG 103           HA       ARG 103   4.816 -13.822 -13.822
  772   1HB   ARG 103           HB1      ARG 103   6.639 -13.046 -13.046
  773   2HB   ARG 103           HB2      ARG 103   7.612 -12.681 -12.681
  774   1HG   ARG 103           HG2      ARG 103   7.483 -15.003 -15.003
  775   2HG   ARG 103           HG1      ARG 103   6.394 -15.393 -15.393
  776   1HD   ARG 103           HD2      ARG 103   8.141 -15.692 -15.692
  777   2HD   ARG 103           HD1      ARG 103   8.816 -14.108 -14.108
  778    HE   ARG 103           HE       ARG 103   9.467 -15.477 -15.477
  779   1HH1  ARG 103          HH11      ARG 103  10.473 -15.583 -15.583
  780   2HH1  ARG 103          HH12      ARG 103  11.384 -17.049 -17.049
  781   1HH2  ARG 103          HH21      ARG 103  10.252 -17.741 -17.741
  782   2HH2  ARG 103          HH22      ARG 103  11.260 -18.272 -18.272
  783    H    GLU 104           HN       GLU 104   7.137 -11.557 -11.557
  784    HA   GLU 104           HA       GLU 104   6.232 -12.404 -12.404
  785   1HB   GLU 104           HB1      GLU 104   8.994 -12.848 -12.848
  786   2HB   GLU 104           HB2      GLU 104   8.658 -12.932 -12.932
  787   1HG   GLU 104           HG2      GLU 104   6.838 -14.631 -14.631
  788   2HG   GLU 104           HG1      GLU 104   7.539 -14.687 -14.687
  789    H    ALA 105           HN       ALA 105   7.393 -11.050 -11.050
  790    HA   ALA 105           HA       ALA 105   7.169  -8.305  -8.305
  791   1HB   ALA 105           HB3      ALA 105   7.787  -9.938  -9.938
  792   2HB   ALA 105           HB2      ALA 105   9.406  -9.322  -9.322
  793   3HB   ALA 105           HB1      ALA 105   8.105  -8.205  -8.205
  794    H    ASP 106           HN       ASP 106   9.931 -10.352 -10.352
  795    HA   ASP 106           HA       ASP 106  11.863  -8.291  -8.291
  796   1HB   ASP 106           HB1      ASP 106  12.444 -10.298 -10.298
  797   2HB   ASP 106           HB2      ASP 106  11.415 -11.135 -11.135
  798    H    ASP 107           HN       ASP 107   9.318  -9.655  -9.655
  799    HA   ASP 107           HA       ASP 107  10.098  -8.363  -8.363
  800   1HB   ASP 107           HB2      ASP 107   7.792  -9.817  -9.817
  801   2HB   ASP 107           HB1      ASP 107   7.392  -8.724  -8.724
  802    H    ILE 108           HN       ILE 108   8.398  -7.279  -7.279
  803    HA   ILE 108           HA       ILE 108   7.141  -4.948  -4.948
  804    HB   ILE 108           HB       ILE 108   7.839  -5.581  -5.581
  805   1HG1  ILE 108          HG12      ILE 108   6.553  -7.410  -7.410
  806   2HG1  ILE 108          HG11      ILE 108   5.575  -6.553  -6.553
  807   1HG2  ILE 108          HG23      ILE 108   6.893  -3.236  -3.236
  808   2HG2  ILE 108          HG22      ILE 108   5.384  -4.086  -4.086
  809   3HG2  ILE 108          HG21      ILE 108   6.540  -3.810  -3.810
  810   1HD1  ILE 108          HD11      ILE 108   5.527  -6.032  -6.032
  811   2HD1  ILE 108          HD13      ILE 108   4.319  -6.963  -6.963
  812   3HD1  ILE 108          HD12      ILE 108   4.515  -5.240  -5.240
  813    H    VAL 109           HN       VAL 109   9.982  -5.439  -5.439
  814    HA   VAL 109           HA       VAL 109  10.855  -2.725  -2.725
  815    HB   VAL 109           HB       VAL 109  12.354  -5.358  -5.358
  816   1HG1  VAL 109          HG23      VAL 109  13.284  -2.627  -2.627
  817   2HG1  VAL 109          HG22      VAL 109  13.529  -3.349  -3.349
  818   3HG1  VAL 109          HG21      VAL 109  14.221  -4.113  -4.113
  819   1HG2  VAL 109          HG12      VAL 109  10.636  -3.777  -3.777
  820   2HG2  VAL 109          HG11      VAL 109  10.948  -5.513  -5.513
  821   3HG2  VAL 109          HG13      VAL 109  12.124  -4.420  -4.420
  822    H    ASN 110           HN       ASN 110  11.601  -5.379  -5.379
  823    HA   ASN 110           HA       ASN 110  13.677  -4.216  -4.216
  824   1HB   ASN 110           HB1      ASN 110  11.794  -6.354  -6.354
  825   2HB   ASN 110           HB2      ASN 110  11.825  -5.528  -5.528
  826   1HD2  ASN 110          HD22      ASN 110  14.689  -8.095  -8.095
  827   2HD2  ASN 110          HD21      ASN 110  13.075  -8.197  -8.197
  828    H    TRP 111           HN       TRP 111  10.166  -3.898  -3.898
  829    HA   TRP 111           HA       TRP 111  10.410  -2.028  -2.028
  830   1HB   TRP 111           HB2      TRP 111   8.428  -3.485  -3.485
  831   2HB   TRP 111           HB1      TRP 111   8.010  -1.813  -1.813
  832    HD1  TRP 111           HD1      TRP 111   9.094  -3.814  -3.814
  833    HE1  TRP 111           HE1      TRP 111   7.743  -2.935  -2.935
  834    HE3  TRP 111           HE3      TRP 111   6.397  -0.131  -0.131
  835    HZ2  TRP 111           HZ2      TRP 111   5.781  -0.934  -0.934
  836    HZ3  TRP 111           HZ3      TRP 111   4.795   1.245   1.245
  837    HH2  TRP 111           HH2      TRP 111   4.484   0.849   0.849
  838    H    LEU 112           HN       LEU 112  10.379  -1.691  -1.691
  839    HA   LEU 112           HA       LEU 112   9.956   1.197   1.197
  840   1HB   LEU 112           HB1      LEU 112  10.864  -0.883  -0.883
  841   2HB   LEU 112           HB2      LEU 112  10.700   0.823   0.823
  842    HG   LEU 112           HG       LEU 112   8.471  -0.830  -0.830
  843   1HD1  LEU 112          HD12      LEU 112   9.386  -0.473  -0.473
  844   2HD1  LEU 112          HD11      LEU 112   7.650  -0.329  -0.329
  845   3HD1  LEU 112          HD13      LEU 112   8.497  -1.808  -1.808
  846   1HD2  LEU 112          HD22      LEU 112   8.822   1.990   1.990
  847   2HD2  LEU 112          HD21      LEU 112   7.817   1.337   1.337
  848   3HD2  LEU 112          HD23      LEU 112   7.281   1.222   1.222
  849    H    LYS 113           HN       LYS 113  12.776  -0.973  -0.973
  850    HA   LYS 113           HA       LYS 113  14.610   1.354   1.354
  851   1HB   LYS 113           HB2      LYS 113  16.274  -0.352  -0.352
  852   2HB   LYS 113           HB1      LYS 113  14.828  -0.707  -0.707
  853   1HG   LYS 113           HG2      LYS 113  14.187  -2.177  -2.177
  854   2HG   LYS 113           HG1      LYS 113  15.922  -2.137  -2.137
  855   1HD   LYS 113           HD2      LYS 113  15.134  -2.717  -2.717
  856   2HD   LYS 113           HD1      LYS 113  14.733  -3.967  -3.967
  857   1HE   LYS 113           HE2      LYS 113  17.282  -3.353  -3.353
  858   2HE   LYS 113           HE1      LYS 113  17.387  -3.102  -3.102
  859   1HZ   LYS 113           HZ3      LYS 113  16.027  -5.461  -5.461
  860   2HZ   LYS 113           HZ2      LYS 113  17.695  -5.471  -5.471
  861   3HZ   LYS 113           HZ1      LYS 113  16.583  -5.242  -5.242
  862    H    LYS 114           HN       LYS 114  12.972   0.406   0.406
  863    HA   LYS 114           HA       LYS 114  14.938  -0.517  -0.517
  864   1HB   LYS 114           HB2      LYS 114  12.308  -0.639  -0.639
  865   2HB   LYS 114           HB1      LYS 114  12.395   0.936   0.936
  866   1HG   LYS 114           HG2      LYS 114  14.115  -0.320  -0.320
  867   2HG   LYS 114           HG1      LYS 114  13.239  -1.747  -1.747
  868   1HD   LYS 114           HD2      LYS 114  11.152  -0.894  -0.894
  869   2HD   LYS 114           HD1      LYS 114  11.848   0.700   0.700
  870   1HE   LYS 114           HE2      LYS 114  12.540   0.070   0.070
  871   2HE   LYS 114           HE1      LYS 114  13.362  -1.355  -1.355
  872   1HZ   LYS 114           HZ2      LYS 114  11.132  -2.392  -2.392
  873   2HZ   LYS 114           HZ1      LYS 114  10.473  -1.087  -1.087
  874   3HZ   LYS 114           HZ3      LYS 114  11.590  -2.120  -2.120
  875    H    ARG 115           HN       ARG 115  13.593   2.649   2.649
  876    HA   ARG 115           HA       ARG 115  15.373   3.962   3.962
  877   1HB   ARG 115           HB2      ARG 115  12.722   4.347   4.347
  878   2HB   ARG 115           HB1      ARG 115  13.677   5.780   5.780
  879   1HG   ARG 115           HG2      ARG 115  13.803   6.412   6.412
  880   2HG   ARG 115           HG1      ARG 115  14.167   4.773   4.773
  881   1HD   ARG 115           HD2      ARG 115  11.925   4.227   4.227
  882   2HD   ARG 115           HD1      ARG 115  11.374   5.394   5.394
  883    HE   ARG 115           HE       ARG 115  12.236   7.166   7.166
  884   1HH1  ARG 115          HH21      ARG 115  12.749   4.625   4.625
  885   2HH1  ARG 115          HH22      ARG 115  11.457   4.834   4.834
  886   1HH2  ARG 115          HH11      ARG 115   9.806   7.205   7.205
  887   2HH2  ARG 115          HH12      ARG 115   9.790   6.295   6.295
  888    H    THR 116           HN       THR 116  15.677   2.971   2.971
  889    HA   THR 116           HA       THR 116  17.527   5.222   5.222
  890    HB   THR 116           HB       THR 116  16.495   4.814   4.814
  891    HG1  THR 116           HG1      THR 116  14.455   4.106   4.106
  892   1HG2  THR 116          HG22      THR 116  15.242   6.433   6.433
  893   2HG2  THR 116          HG21      THR 116  14.825   6.628   6.628
  894   3HG2  THR 116          HG23      THR 116  16.465   6.971   6.971
  895    H    GLY 117           HN       GLY 117  17.866   2.381   2.381
  896   1HA   GLY 117           HA1      GLY 117  19.299   1.338   1.338
  897   2HA   GLY 117           HA2      GLY 117  18.564   0.286   0.286
  898    HA   PRO 118           HA       PRO 118  23.019   1.164   1.164
  899   1HB   PRO 118           HB2      PRO 118  23.900  -1.427  -1.427
  900   2HB   PRO 118           HB1      PRO 118  23.930  -0.363  -0.363
  901   1HG   PRO 118           HG2      PRO 118  22.003  -2.516  -2.516
  902   2HG   PRO 118           HG1      PRO 118  22.646  -2.066  -2.066
  903   1HD   PRO 118           HD2      PRO 118  20.154  -1.370  -1.370
  904   2HD   PRO 118           HD1      PRO 118  21.074  -0.441  -0.441
  905    H    ALA 119           HN       ALA 119  21.606   1.570   1.570
  906    HA   ALA 119           HA       ALA 119  21.101   1.118   1.118
  907   1HB   ALA 119           HB2      ALA 119  23.689   0.605   0.605
  908   2HB   ALA 119           HB1      ALA 119  23.184  -1.024  -1.024
  909   3HB   ALA 119           HB3      ALA 119  22.971   0.308   0.308
  910    H    ALA 120           HN       ALA 120  19.615  -0.407  -0.407
  911    HA   ALA 120           HA       ALA 120  19.446  -3.197  -3.197
  912   1HB   ALA 120           HB2      ALA 120  18.091  -1.174  -1.174
  913   2HB   ALA 120           HB1      ALA 120  16.942  -2.314  -2.314
  914   3HB   ALA 120           HB3      ALA 120  18.263  -2.903  -2.903

  Start of MODEL    5
    1   1H    ASP   1           HT2      ASP   1  -5.512  -6.827  -6.827
    2   2H    ASP   1           HT1      ASP   1  -5.815  -7.713  -7.713
    3   3H    ASP   1           HT3      ASP   1  -5.076  -6.189  -6.189
    4    HA   ASP   1           HA       ASP   1  -7.316  -5.831  -5.831
    5   1HB   ASP   1           HB2      ASP   1  -9.049  -6.727  -6.727
    6   2HB   ASP   1           HB1      ASP   1  -7.713  -7.722  -7.722
    7    H    ALA   2           HN       ALA   2  -6.292  -3.735  -3.735
    8    HA   ALA   2           HA       ALA   2  -7.588  -2.603  -2.603
    9   1HB   ALA   2           HB3      ALA   2  -5.125  -3.603  -3.603
   10   2HB   ALA   2           HB2      ALA   2  -4.679  -2.044  -2.044
   11   3HB   ALA   2           HB1      ALA   2  -5.592  -2.111  -2.111
   12    HA   PRO   3           HA       PRO   3  -7.968   0.830   0.830
   13   1HB   PRO   3           HB1      PRO   3  -8.323   2.854   2.854
   14   2HB   PRO   3           HB2      PRO   3  -9.580   1.658   1.658
   15   1HG   PRO   3           HG2      PRO   3  -7.718   1.801   1.801
   16   2HG   PRO   3           HG1      PRO   3  -9.419   1.313   1.313
   17   1HD   PRO   3           HD1      PRO   3  -7.336  -0.451  -0.451
   18   2HD   PRO   3           HD2      PRO   3  -8.919  -0.838  -0.838
   19    H    GLU   4           HN       GLU   4  -6.494   2.173   2.173
   20    HA   GLU   4           HA       GLU   4  -4.510   3.364   3.364
   21   1HB   GLU   4           HB1      GLU   4  -5.560   4.745   4.745
   22   2HB   GLU   4           HB2      GLU   4  -4.700   3.800   3.800
   23   1HG   GLU   4           HG1      GLU   4  -2.616   4.463   4.463
   24   2HG   GLU   4           HG2      GLU   4  -3.660   5.846   5.846
   25    H    GLU   5           HN       GLU   5  -2.496   2.607   2.607
   26    HA   GLU   5           HA       GLU   5  -0.516   1.364   1.364
   27   1HB   GLU   5           HB2      GLU   5  -1.322   2.162   2.162
   28   2HB   GLU   5           HB1      GLU   5  -0.011   0.996   0.996
   29   1HG   GLU   5           HG1      GLU   5   0.217   3.769   3.769
   30   2HG   GLU   5           HG2      GLU   5   1.424   2.585   2.585
   31    H    GLU   6           HN       GLU   6  -0.246  -0.790  -0.790
   32    HA   GLU   6           HA       GLU   6  -1.729  -2.776  -2.776
   33   1HB   GLU   6           HB2      GLU   6  -1.882  -2.157  -2.157
   34   2HB   GLU   6           HB1      GLU   6  -1.821  -3.869  -3.869
   35   1HG   GLU   6           HG2      GLU   6  -3.678  -2.045  -2.045
   36   2HG   GLU   6           HG1      GLU   6  -4.145  -2.641  -2.641
   37    H    ASP   7           HN       ASP   7  -0.046  -3.894  -3.894
   38    HA   ASP   7           HA       ASP   7   1.940  -5.151  -5.151
   39   1HB   ASP   7           HB2      ASP   7   0.797  -5.613  -5.613
   40   2HB   ASP   7           HB1      ASP   7   2.466  -6.134  -6.134
   41    H    HIS   8           HN       HIS   8   2.697  -4.309  -4.309
   42    HA   HIS   8           HA       HIS   8   4.871  -2.513  -2.513
   43   1HB   HIS   8           HB2      HIS   8   4.777  -4.697  -4.697
   44   2HB   HIS   8           HB1      HIS   8   6.004  -3.434  -3.434
   45    HD1  HIS   8           HD1      HIS   8   6.596  -6.484  -6.484
   46    HD2  HIS   8           HD2      HIS   8   6.290  -3.357  -3.357
   47    HE1  HIS   8           HE1      HIS   8   7.870  -7.212  -7.212
   48    H    VAL   9           HN       VAL   9   2.180  -2.831  -2.831
   49    HA   VAL   9           HA       VAL   9   3.007  -0.392  -0.392
   50    HB   VAL   9           HB       VAL   9   1.304  -1.243  -1.243
   51   1HG1  VAL   9          HG21      VAL   9   3.567  -3.036  -3.036
   52   2HG1  VAL   9          HG23      VAL   9   2.586  -3.413  -3.413
   53   3HG1  VAL   9          HG22      VAL   9   3.521  -1.919  -1.919
   54   1HG2  VAL   9          HG11      VAL   9   0.395  -2.679  -2.679
   55   2HG2  VAL   9          HG13      VAL   9  -0.132  -2.900  -2.900
   56   3HG2  VAL   9          HG12      VAL   9   1.158  -3.907  -3.907
   57    H    LEU  10           HN       LEU  10   0.709   0.656   0.656
   58    HA   LEU  10           HA       LEU  10  -0.844   1.063   1.063
   59   1HB   LEU  10           HB1      LEU  10  -1.221   3.365   3.365
   60   2HB   LEU  10           HB2      LEU  10   0.420   3.028   3.028
   61    HG   LEU  10           HG       LEU  10  -0.123   2.233   2.233
   62   1HD1  LEU  10          HD23      LEU  10  -1.091   4.786   4.786
   63   2HD1  LEU  10          HD22      LEU  10   0.271   5.033   5.033
   64   3HD1  LEU  10          HD21      LEU  10  -1.135   4.113   4.113
   65   1HD2  LEU  10          HD13      LEU  10   2.115   2.369   2.369
   66   2HD2  LEU  10          HD12      LEU  10   2.034   3.270   3.270
   67   3HD2  LEU  10          HD11      LEU  10   1.927   4.122   4.122
   68    H    VAL  11           HN       VAL  11  -3.046   2.097   2.097
   69    HA   VAL  11           HA       VAL  11  -4.222   0.616   0.616
   70    HB   VAL  11           HB       VAL  11  -4.793  -0.292  -0.292
   71   1HG1  VAL  11          HG23      VAL  11  -5.766   2.541   2.541
   72   2HG1  VAL  11          HG22      VAL  11  -6.322   1.188   1.188
   73   3HG1  VAL  11          HG21      VAL  11  -4.615   1.629   1.629
   74   1HG2  VAL  11          HG13      VAL  11  -6.478   0.154   0.154
   75   2HG2  VAL  11          HG12      VAL  11  -6.961  -0.695  -0.695
   76   3HG2  VAL  11          HG11      VAL  11  -7.331   1.019   1.019
   77    H    LEU  12           HN       LEU  12  -5.930   1.747   1.747
   78    HA   LEU  12           HA       LEU  12  -5.888   4.710   4.710
   79   1HB   LEU  12           HB1      LEU  12  -5.396   3.076   3.076
   80   2HB   LEU  12           HB2      LEU  12  -6.938   3.858   3.858
   81    HG   LEU  12           HG       LEU  12  -5.946   6.053   6.053
   82   1HD1  LEU  12          HD13      LEU  12  -3.816   4.405   4.405
   83   2HD1  LEU  12          HD12      LEU  12  -3.201   5.648   5.648
   84   3HD1  LEU  12          HD11      LEU  12  -4.203   6.102   6.102
   85   1HD2  LEU  12          HD21      LEU  12  -4.456   4.240   4.240
   86   2HD2  LEU  12          HD23      LEU  12  -5.755   5.373   5.373
   87   3HD2  LEU  12          HD22      LEU  12  -4.156   5.976   5.976
   88    H    ARG  13           HN       ARG  13  -7.969   5.516   5.516
   89    HA   ARG  13           HA       ARG  13 -10.421   4.006   4.006
   90   1HB   ARG  13           HB2      ARG  13  -9.253   5.539   5.539
   91   2HB   ARG  13           HB1      ARG  13 -10.739   6.347   6.347
   92   1HG   ARG  13           HG2      ARG  13 -11.762   3.938   3.938
   93   2HG   ARG  13           HG1      ARG  13 -10.368   3.557   3.557
   94   1HD   ARG  13           HD1      ARG  13 -11.535   4.393   4.393
   95   2HD   ARG  13           HD2      ARG  13 -11.383   5.993   5.993
   96    HE   ARG  13           HE       ARG  13 -13.598   4.110   4.110
   97   1HH1  ARG  13          HH21      ARG  13 -12.732   6.996   6.996
   98   2HH1  ARG  13          HH22      ARG  13 -14.059   7.912   7.912
   99   1HH2  ARG  13          HH11      ARG  13 -15.160   5.374   5.374
  100   2HH2  ARG  13          HH12      ARG  13 -15.434   6.993   6.993
  101    H    LYS  14           HN       LYS  14 -12.363   5.716   5.716
  102    HA   LYS  14           HA       LYS  14 -12.297   6.843   6.843
  103   1HB   LYS  14           HB2      LYS  14 -13.958   7.008   7.008
  104   2HB   LYS  14           HB1      LYS  14 -14.190   8.314   8.314
  105   1HG   LYS  14           HG2      LYS  14 -14.495   6.592   6.592
  106   2HG   LYS  14           HG1      LYS  14 -14.396   5.339   5.339
  107   1HD   LYS  14           HD2      LYS  14 -16.748   5.896   5.896
  108   2HD   LYS  14           HD1      LYS  14 -16.346   6.311   6.311
  109   1HE   LYS  14           HE2      LYS  14 -16.166   8.649   8.649
  110   2HE   LYS  14           HE1      LYS  14 -16.217   8.320   8.320
  111   1HZ   LYS  14           HZ1      LYS  14 -18.378   7.675   7.675
  112   2HZ   LYS  14           HZ3      LYS  14 -18.404   8.969   8.969
  113   3HZ   LYS  14           HZ2      LYS  14 -18.417   7.369   7.369
  114    H    SER  15           HN       SER  15 -11.142   8.210   8.210
  115    HA   SER  15           HA       SER  15 -10.585  10.789  10.789
  116   1HB   SER  15           HB1      SER  15 -12.081  10.281  10.281
  117   2HB   SER  15           HB2      SER  15 -10.530  10.810  10.810
  118    HG   SER  15           HG       SER  15 -12.358  12.369  12.369
  119    H    ASN  16           HN       ASN  16  -9.178   8.054   8.054
  120    HA   ASN  16           HA       ASN  16  -6.762   9.282   9.282
  121   1HB   ASN  16           HB1      ASN  16  -8.056   6.755   6.755
  122   2HB   ASN  16           HB2      ASN  16  -6.443   6.538   6.538
  123   1HD2  ASN  16          HD22      ASN  16  -6.217   6.131   6.131
  124   2HD2  ASN  16          HD21      ASN  16  -7.052   5.334   5.334
  125    H    PHE  17           HN       PHE  17  -7.763   8.010   8.010
  126    HA   PHE  17           HA       PHE  17  -5.305   7.598   7.598
  127   1HB   PHE  17           HB2      PHE  17  -7.669   7.211   7.211
  128   2HB   PHE  17           HB1      PHE  17  -7.760   8.937   8.937
  129    HD1  PHE  17           HD2      PHE  17  -5.904   9.937   9.937
  130    HD2  PHE  17           HD1      PHE  17  -6.725   5.733   5.733
  131    HE1  PHE  17           HE2      PHE  17  -4.742   9.556   9.556
  132    HE2  PHE  17           HE1      PHE  17  -5.568   5.351   5.351
  133    HZ   PHE  17           HZ       PHE  17  -4.556   7.269   7.269
  134    H    ALA  18           HN       ALA  18  -7.197  10.621  10.621
  135    HA   ALA  18           HA       ALA  18  -5.178  12.203  12.203
  136   1HB   ALA  18           HB3      ALA  18  -7.651  12.677  12.677
  137   2HB   ALA  18           HB2      ALA  18  -7.259  13.120  13.120
  138   3HB   ALA  18           HB1      ALA  18  -6.588  14.046  14.046
  139    H    GLU  19           HN       GLU  19  -5.536  11.163  11.163
  140    HA   GLU  19           HA       GLU  19  -3.730  13.169  13.169
  141   1HB   GLU  19           HB1      GLU  19  -5.615  12.031  12.031
  142   2HB   GLU  19           HB2      GLU  19  -4.726  10.514  10.514
  143   1HG   GLU  19           HG2      GLU  19  -3.338  11.073  11.073
  144   2HG   GLU  19           HG1      GLU  19  -3.092  12.700  12.700
  145    H    ALA  20           HN       ALA  20  -3.522   9.604   9.604
  146    HA   ALA  20           HA       ALA  20  -0.775   9.311   9.311
  147   1HB   ALA  20           HB3      ALA  20  -2.962   7.770   7.770
  148   2HB   ALA  20           HB2      ALA  20  -1.691   7.521   7.521
  149   3HB   ALA  20           HB1      ALA  20  -1.385   7.165   7.165
  150    H    LEU  21           HN       LEU  21  -2.394  10.299  10.299
  151    HA   LEU  21           HA       LEU  21  -0.125  10.059  10.059
  152   1HB   LEU  21           HB2      LEU  21  -2.857  11.149  11.149
  153   2HB   LEU  21           HB1      LEU  21  -1.762  12.041  12.041
  154    HG   LEU  21           HG       LEU  21  -2.871  10.197  10.197
  155   1HD1  LEU  21          HD23      LEU  21  -0.064  10.684  10.684
  156   2HD1  LEU  21          HD22      LEU  21  -0.294   8.951   8.951
  157   3HD1  LEU  21          HD21      LEU  21  -0.965  10.097  10.097
  158   1HD2  LEU  21          HD13      LEU  21  -2.679   8.811   8.811
  159   2HD2  LEU  21          HD12      LEU  21  -2.970   8.055   8.055
  160   3HD2  LEU  21          HD11      LEU  21  -1.337   8.113   8.113
  161    H    ALA  22           HN       ALA  22  -1.626  12.933  12.933
  162    HA   ALA  22           HA       ALA  22   0.544  14.713  14.713
  163   1HB   ALA  22           HB1      ALA  22  -1.672  14.804  14.804
  164   2HB   ALA  22           HB3      ALA  22  -0.654  16.182  16.182
  165   3HB   ALA  22           HB2      ALA  22  -1.731  15.481  15.481
  166    H    ALA  23           HN       ALA  23  -0.120  12.543  12.543
  167    HA   ALA  23           HA       ALA  23   1.762  13.619  13.619
  168   1HB   ALA  23           HB1      ALA  23   0.250  11.079  11.079
  169   2HB   ALA  23           HB3      ALA  23   1.569  11.039  11.039
  170   3HB   ALA  23           HB2      ALA  23   0.217  12.149  12.149
  171    H    HIS  24           HN       HIS  24   2.076  10.512  10.512
  172    HA   HIS  24           HA       HIS  24   5.022  11.042  11.042
  173   1HB   HIS  24           HB1      HIS  24   3.478   8.914   8.914
  174   2HB   HIS  24           HB2      HIS  24   4.209   8.299   8.299
  175    HD1  HIS  24           HD1      HIS  24   6.825   8.281   8.281
  176    HD2  HIS  24           HD2      HIS  24   5.310   9.457   9.457
  177    HE1  HIS  24           HE1      HIS  24   8.767   8.210   8.210
  178    H    LYS  25           HN       LYS  25   5.735  11.386  11.386
  179    HA   LYS  25           HA       LYS  25   4.176  11.512  11.512
  180   1HB   LYS  25           HB1      LYS  25   7.091  10.852  10.852
  181   2HB   LYS  25           HB2      LYS  25   6.435  11.145  11.145
  182   1HG   LYS  25           HG1      LYS  25   6.706  13.351  13.351
  183   2HG   LYS  25           HG2      LYS  25   5.458  13.244  13.244
  184   1HD   LYS  25           HD2      LYS  25   7.269  14.109  14.109
  185   2HD   LYS  25           HD1      LYS  25   7.416  12.380  12.380
  186   1HE   LYS  25           HE2      LYS  25   9.574  12.696  12.696
  187   2HE   LYS  25           HE1      LYS  25   8.845  12.626  12.626
  188   1HZ   LYS  25           HZ1      LYS  25   8.467  15.011  15.011
  189   2HZ   LYS  25           HZ3      LYS  25   9.177  15.083  15.083
  190   3HZ   LYS  25           HZ2      LYS  25  10.121  14.669  14.669
  191    H    TYR  26           HN       TYR  26   6.601   8.907   8.907
  192    HA   TYR  26           HA       TYR  26   5.180   7.173   7.173
  193   1HB   TYR  26           HB1      TYR  26   7.316   6.675   6.675
  194   2HB   TYR  26           HB2      TYR  26   6.867   5.517   5.517
  195    HD1  TYR  26           HD2      TYR  26   6.428   7.275   7.275
  196    HD2  TYR  26           HD1      TYR  26   9.492   7.398   7.398
  197    HE1  TYR  26           HE2      TYR  26   7.949   8.407   8.407
  198    HE2  TYR  26           HE1      TYR  26  11.013   8.530   8.530
  199    HH   TYR  26           HH       TYR  26  10.979   8.500   8.500
  200    H    LEU  27           HN       LEU  27   3.124   6.494   6.494
  201    HA   LEU  27           HA       LEU  27   2.833   5.222   5.222
  202   1HB   LEU  27           HB2      LEU  27   1.659   7.556   7.556
  203   2HB   LEU  27           HB1      LEU  27   0.405   6.342   6.342
  204    HG   LEU  27           HG       LEU  27   0.259   7.398   7.398
  205   1HD1  LEU  27          HD23      LEU  27   0.466   4.574   4.574
  206   2HD1  LEU  27          HD22      LEU  27   0.964   4.888   4.888
  207   3HD1  LEU  27          HD21      LEU  27  -0.631   5.397   5.397
  208   1HD2  LEU  27          HD12      LEU  27   2.907   7.537   7.537
  209   2HD2  LEU  27          HD11      LEU  27   2.009   7.389   7.389
  210   3HD2  LEU  27          HD13      LEU  27   2.765   5.966   5.966
  211    H    LEU  28           HN       LEU  28   2.737   3.055   3.055
  212    HA   LEU  28           HA       LEU  28   1.546   2.047   2.047
  213   1HB   LEU  28           HB1      LEU  28   3.433   1.198   1.198
  214   2HB   LEU  28           HB2      LEU  28   2.040   0.227   0.227
  215    HG   LEU  28           HG       LEU  28   3.362  -0.948  -0.948
  216   1HD1  LEU  28          HD22      LEU  28   0.795  -1.011  -1.011
  217   2HD1  LEU  28          HD21      LEU  28   0.840   0.083   0.083
  218   3HD1  LEU  28          HD23      LEU  28   1.551  -1.527  -1.527
  219   1HD2  LEU  28          HD12      LEU  28   3.962   1.466   1.466
  220   2HD2  LEU  28          HD11      LEU  28   4.026   0.004   0.004
  221   3HD2  LEU  28          HD13      LEU  28   2.618   1.062   1.062
  222    H    VAL  29           HN       VAL  29  -0.621   1.533   1.533
  223    HA   VAL  29           HA       VAL  29  -2.206   1.091   1.091
  224    HB   VAL  29           HB       VAL  29  -3.034   2.685   2.685
  225   1HG1  VAL  29          HG22      VAL  29  -4.301   2.154   2.154
  226   2HG1  VAL  29          HG21      VAL  29  -4.838   3.445   3.445
  227   3HG1  VAL  29          HG23      VAL  29  -4.958   1.762   1.762
  228   1HG2  VAL  29          HG13      VAL  29  -2.123   3.605   3.605
  229   2HG2  VAL  29          HG12      VAL  29  -1.243   3.832   3.832
  230   3HG2  VAL  29          HG11      VAL  29  -2.782   4.655   4.655
  231    H    GLU  30           HN       GLU  30  -3.326  -0.793  -0.793
  232    HA   GLU  30           HA       GLU  30  -3.923  -1.992  -1.992
  233   1HB   GLU  30           HB1      GLU  30  -2.181  -3.118  -3.118
  234   2HB   GLU  30           HB2      GLU  30  -3.408  -3.362  -3.362
  235   1HG   GLU  30           HG1      GLU  30  -4.752  -4.701  -4.701
  236   2HG   GLU  30           HG2      GLU  30  -3.608  -4.389  -4.389
  237    H    PHE  31           HN       PHE  31  -6.090  -2.159  -2.159
  238    HA   PHE  31           HA       PHE  31  -7.998  -1.863  -1.863
  239   1HB   PHE  31           HB2      PHE  31  -8.228  -1.670  -1.670
  240   2HB   PHE  31           HB1      PHE  31  -9.564  -1.401  -1.401
  241    HD1  PHE  31           HD1      PHE  31  -9.423   0.473   0.473
  242    HD2  PHE  31           HD2      PHE  31  -6.577   0.005   0.005
  243    HE1  PHE  31           HE1      PHE  31  -8.679   2.815   2.815
  244    HE2  PHE  31           HE2      PHE  31  -5.832   2.348   2.348
  245    HZ   PHE  31           HZ       PHE  31  -6.908   3.765   3.765
  246    H    TYR  32           HN       TYR  32  -8.705  -3.823  -3.823
  247    HA   TYR  32           HA       TYR  32  -9.613  -5.877  -5.877
  248   1HB   TYR  32           HB1      TYR  32  -8.348  -7.620  -7.620
  249   2HB   TYR  32           HB2      TYR  32  -7.243  -6.335  -6.335
  250    HD1  TYR  32           HD2      TYR  32  -6.951  -4.415  -4.415
  251    HD2  TYR  32           HD1      TYR  32  -8.263  -8.429  -8.429
  252    HE1  TYR  32           HE2      TYR  32  -6.285  -4.168  -4.168
  253    HE2  TYR  32           HE1      TYR  32  -7.592  -8.182  -8.182
  254    HH   TYR  32           HH       TYR  32  -7.242  -6.342  -6.342
  255    H    ALA  33           HN       ALA  33 -10.335  -7.867  -7.867
  256    HA   ALA  33           HA       ALA  33 -12.132  -6.514  -6.514
  257   1HB   ALA  33           HB2      ALA  33 -13.120  -7.288  -7.288
  258   2HB   ALA  33           HB1      ALA  33 -12.861  -8.929  -8.929
  259   3HB   ALA  33           HB3      ALA  33 -13.943  -7.838  -7.838
  260    HA   PRO  34           HA       PRO  34 -10.636  -9.521  -9.521
  261   1HB   PRO  34           HB1      PRO  34 -12.860  -9.973  -9.973
  262   2HB   PRO  34           HB2      PRO  34 -11.883  -8.497  -8.497
  263   1HG   PRO  34           HG2      PRO  34 -14.455  -8.968  -8.968
  264   2HG   PRO  34           HG1      PRO  34 -13.944  -7.569  -7.569
  265   1HD   PRO  34           HD1      PRO  34 -13.899  -7.577  -7.577
  266   2HD   PRO  34           HD2      PRO  34 -12.736  -6.655  -6.655
  267    H    TRP  35           HN       TRP  35 -13.337 -10.175 -10.175
  268    HA   TRP  35           HA       TRP  35 -13.343 -13.066 -13.066
  269   1HB   TRP  35           HB2      TRP  35 -15.329 -13.074 -13.074
  270   2HB   TRP  35           HB1      TRP  35 -15.447 -11.766 -11.766
  271    HD1  TRP  35           HD1      TRP  35 -15.608  -9.353  -9.353
  272    HE1  TRP  35           HE1      TRP  35 -15.629  -8.295  -8.295
  273    HE3  TRP  35           HE3      TRP  35 -14.283 -13.410 -13.410
  274    HZ2  TRP  35           HZ2      TRP  35 -15.146  -9.066  -9.066
  275    HZ3  TRP  35           HZ3      TRP  35 -14.071 -13.220 -13.220
  276    HH2  TRP  35           HH2      TRP  35 -14.500 -11.055 -11.055
  277    H    CYS  36           HN       CYS  36 -11.852 -10.899 -10.899
  278    HA   CYS  36           HA       CYS  36 -11.707 -12.328 -12.328
  279   1HB   CYS  36           HB2      CYS  36 -10.773 -10.086 -10.086
  280   2HB   CYS  36           HB1      CYS  36  -9.530 -10.813 -10.813
  281    H    GLY  37           HN       GLY  37 -10.143 -13.895 -13.895
  282   1HA   GLY  37           HA2      GLY  37  -9.085 -15.655 -15.655
  283   2HA   GLY  37           HA1      GLY  37  -9.493 -16.201 -16.201
  284    H    HIS  38           HN       HIS  38  -8.187 -14.052 -14.052
  285    HA   HIS  38           HA       HIS  38  -5.397 -15.010 -15.010
  286   1HB   HIS  38           HB2      HIS  38  -7.066 -13.490 -13.490
  287   2HB   HIS  38           HB1      HIS  38  -5.307 -13.470 -13.470
  288    HD1  HIS  38           HD1      HIS  38  -4.607 -15.189 -15.189
  289    HD2  HIS  38           HD2      HIS  38  -7.784 -16.534 -16.534
  290    HE1  HIS  38           HE1      HIS  38  -5.070 -17.572 -17.572
  291    H    CYS  39           HN       CYS  39  -6.967 -12.757 -12.757
  292    HA   CYS  39           HA       CYS  39  -4.957 -10.583 -10.583
  293   1HB   CYS  39           HB2      CYS  39  -7.545 -10.805 -10.805
  294   2HB   CYS  39           HB1      CYS  39  -6.574  -9.339  -9.339
  295    H    LYS  40           HN       LYS  40  -6.148 -12.979 -12.979
  296    HA   LYS  40           HA       LYS  40  -4.519 -12.028 -12.028
  297   1HB   LYS  40           HB2      LYS  40  -5.405 -14.028 -14.028
  298   2HB   LYS  40           HB1      LYS  40  -6.699 -13.263 -13.263
  299   1HG   LYS  40           HG2      LYS  40  -6.113 -14.846 -14.846
  300   2HG   LYS  40           HG1      LYS  40  -5.088 -15.708 -15.708
  301   1HD   LYS  40           HD2      LYS  40  -7.196 -15.771 -15.771
  302   2HD   LYS  40           HD1      LYS  40  -8.085 -15.366 -15.366
  303   1HE   LYS  40           HE2      LYS  40  -7.989 -17.524 -17.524
  304   2HE   LYS  40           HE1      LYS  40  -6.216 -17.486 -17.486
  305   1HZ   LYS  40           HZ1      LYS  40  -7.939 -17.722 -17.722
  306   2HZ   LYS  40           HZ3      LYS  40  -7.332 -19.075 -19.075
  307   3HZ   LYS  40           HZ2      LYS  40  -6.261 -17.968 -17.968
  308    H    ALA  41           HN       ALA  41  -4.023 -14.106 -14.106
  309    HA   ALA  41           HA       ALA  41  -1.911 -15.762 -15.762
  310   1HB   ALA  41           HB3      ALA  41  -2.987 -14.873 -14.873
  311   2HB   ALA  41           HB2      ALA  41  -1.394 -15.627 -15.627
  312   3HB   ALA  41           HB1      ALA  41  -2.792 -16.506 -16.506
  313    H    LEU  42           HN       LEU  42  -2.017 -12.423 -12.423
  314    HA   LEU  42           HA       LEU  42   0.979 -12.297 -12.297
  315   1HB   LEU  42           HB1      LEU  42  -0.528 -11.602 -11.602
  316   2HB   LEU  42           HB2      LEU  42  -0.915 -10.187 -10.187
  317    HG   LEU  42           HG       LEU  42   1.814 -10.282 -10.282
  318   1HD1  LEU  42          HD12      LEU  42   1.011 -11.702 -11.702
  319   2HD1  LEU  42          HD11      LEU  42   2.221 -10.439 -10.439
  320   3HD1  LEU  42          HD13      LEU  42   2.531 -11.766 -11.766
  321   1HD2  LEU  42          HD23      LEU  42   0.168  -8.893  -8.893
  322   2HD2  LEU  42          HD22      LEU  42   0.471  -8.292  -8.292
  323   3HD2  LEU  42          HD21      LEU  42   1.801  -8.430  -8.430
  324    H    ALA  43           HN       ALA  43  -1.052 -12.215 -12.215
  325    HA   ALA  43           HA       ALA  43  -1.053  -9.505  -9.505
  326   1HB   ALA  43           HB2      ALA  43  -2.161 -12.056 -12.056
  327   2HB   ALA  43           HB1      ALA  43  -1.307 -11.528 -11.528
  328   3HB   ALA  43           HB3      ALA  43  -2.568 -10.514 -10.514
  329    HA   PRO  44           HA       PRO  44   2.460 -11.055 -11.055
  330   1HB   PRO  44           HB2      PRO  44   3.623 -13.473 -13.473
  331   2HB   PRO  44           HB1      PRO  44   2.233 -13.284 -13.284
  332   1HG   PRO  44           HG2      PRO  44   2.316 -14.170 -14.170
  333   2HG   PRO  44           HG1      PRO  44   1.323 -14.767 -14.767
  334   1HD   PRO  44           HD1      PRO  44   0.394 -13.083 -13.083
  335   2HD   PRO  44           HD2      PRO  44  -0.257 -13.135 -13.135
  336    H    GLU  45           HN       GLU  45   2.435 -11.146 -11.146
  337    HA   GLU  45           HA       GLU  45   5.396 -10.944 -10.944
  338   1HB   GLU  45           HB2      GLU  45   3.167 -10.981 -10.981
  339   2HB   GLU  45           HB1      GLU  45   4.891 -11.141 -11.141
  340   1HG   GLU  45           HG1      GLU  45   3.294 -13.046 -13.046
  341   2HG   GLU  45           HG2      GLU  45   3.715 -13.343 -13.343
  342    H    TYR  46           HN       TYR  46   2.431  -9.098  -9.098
  343    HA   TYR  46           HA       TYR  46   3.767  -6.705  -6.705
  344   1HB   TYR  46           HB2      TYR  46   1.601  -6.815  -6.815
  345   2HB   TYR  46           HB1      TYR  46   1.036  -7.722  -7.722
  346    HD1  TYR  46           HD1      TYR  46   0.338  -6.584  -6.584
  347    HD2  TYR  46           HD2      TYR  46   1.580  -4.375  -4.375
  348    HE1  TYR  46           HE1      TYR  46  -0.648  -4.521  -4.521
  349    HE2  TYR  46           HE2      TYR  46   0.593  -2.311  -2.311
  350    HH   TYR  46           HH       TYR  46   0.071  -1.503  -1.503
  351    H    ALA  47           HN       ALA  47   3.165  -8.138  -8.138
  352    HA   ALA  47           HA       ALA  47   3.394  -5.547  -5.547
  353   1HB   ALA  47           HB1      ALA  47   2.689  -8.396  -8.396
  354   2HB   ALA  47           HB3      ALA  47   3.133  -7.287  -7.287
  355   3HB   ALA  47           HB2      ALA  47   1.746  -6.929  -6.929
  356    H    LYS  48           HN       LYS  48   5.465  -8.042  -8.042
  357    HA   LYS  48           HA       LYS  48   7.437  -7.682  -7.682
  358   1HB   LYS  48           HB2      LYS  48   7.075  -9.919  -9.919
  359   2HB   LYS  48           HB1      LYS  48   7.183  -9.415  -9.415
  360   1HG   LYS  48           HG2      LYS  48   9.538  -8.940  -8.940
  361   2HG   LYS  48           HG1      LYS  48   9.249 -10.571 -10.571
  362   1HD   LYS  48           HD2      LYS  48   9.885 -10.012 -10.012
  363   2HD   LYS  48           HD1      LYS  48   8.944  -8.522  -8.522
  364   1HE   LYS  48           HE2      LYS  48  10.707  -7.271  -7.271
  365   2HE   LYS  48           HE1      LYS  48  11.494  -8.700  -8.700
  366   1HZ   LYS  48           HZ1      LYS  48  11.668  -9.492  -9.492
  367   2HZ   LYS  48           HZ3      LYS  48  11.350  -7.885  -7.885
  368   3HZ   LYS  48           HZ2      LYS  48  12.727  -8.255  -8.255
  369    H    ALA  49           HN       ALA  49   7.042  -6.984  -6.984
  370    HA   ALA  49           HA       ALA  49   9.648  -5.941  -5.941
  371   1HB   ALA  49           HB1      ALA  49   6.885  -5.640  -5.640
  372   2HB   ALA  49           HB3      ALA  49   8.173  -4.598  -4.598
  373   3HB   ALA  49           HB2      ALA  49   8.321  -6.351  -6.351
  374    H    ALA  50           HN       ALA  50   6.914  -4.595  -4.595
  375    HA   ALA  50           HA       ALA  50   7.745  -1.810  -1.810
  376   1HB   ALA  50           HB3      ALA  50   5.437  -2.918  -2.918
  377   2HB   ALA  50           HB2      ALA  50   6.028  -3.037  -3.037
  378   3HB   ALA  50           HB1      ALA  50   5.867  -1.457  -1.457
  379    H    GLY  51           HN       GLY  51   8.836  -4.515  -4.515
  380   1HA   GLY  51           HA2      GLY  51   9.751  -2.941  -2.941
  381   2HA   GLY  51           HA1      GLY  51  10.062  -4.654  -4.654
  382    H    LYS  52           HN       LYS  52  11.000  -3.890  -3.890
  383    HA   LYS  52           HA       LYS  52  13.789  -3.888  -3.888
  384   1HB   LYS  52           HB2      LYS  52  13.931  -3.386  -3.386
  385   2HB   LYS  52           HB1      LYS  52  12.576  -4.479  -4.479
  386   1HG   LYS  52           HG1      LYS  52  11.502  -2.921  -2.921
  387   2HG   LYS  52           HG2      LYS  52  11.265  -2.155  -2.155
  388   1HD   LYS  52           HD2      LYS  52  12.339  -0.348  -0.348
  389   2HD   LYS  52           HD1      LYS  52  13.812  -1.320  -1.320
  390   1HE   LYS  52           HE2      LYS  52  11.921  -1.681  -1.681
  391   2HE   LYS  52           HE1      LYS  52  12.891  -0.195  -0.195
  392   1HZ   LYS  52           HZ2      LYS  52  14.002  -2.918  -2.918
  393   2HZ   LYS  52           HZ1      LYS  52  14.045  -2.097  -2.097
  394   3HZ   LYS  52           HZ3      LYS  52  14.876  -1.468  -1.468
  395    H    LEU  53           HN       LEU  53  11.521  -1.201  -1.201
  396    HA   LEU  53           HA       LEU  53  13.658   0.826   0.826
  397   1HB   LEU  53           HB1      LEU  53  11.729   2.361   2.361
  398   2HB   LEU  53           HB2      LEU  53  11.478   1.068   1.068
  399    HG   LEU  53           HG       LEU  53  10.439  -0.004  -0.004
  400   1HD1  LEU  53          HD12      LEU  53   9.884   2.968   2.968
  401   2HD1  LEU  53          HD11      LEU  53   8.840   1.839   1.839
  402   3HD1  LEU  53          HD13      LEU  53  10.518   2.049   2.049
  403   1HD2  LEU  53          HD23      LEU  53   9.108   1.507   1.507
  404   2HD2  LEU  53          HD22      LEU  53   9.393  -0.230  -0.230
  405   3HD2  LEU  53          HD21      LEU  53   8.222   0.534   0.534
  406    H    LYS  54           HN       LYS  54  11.746  -0.834  -0.834
  407    HA   LYS  54           HA       LYS  54  11.769   1.005   1.005
  408   1HB   LYS  54           HB2      LYS  54  10.659  -1.275  -1.275
  409   2HB   LYS  54           HB1      LYS  54  12.231  -1.988  -1.988
  410   1HG   LYS  54           HG2      LYS  54  11.908  -1.642  -1.642
  411   2HG   LYS  54           HG1      LYS  54  11.681   0.084   0.084
  412   1HD   LYS  54           HD2      LYS  54   9.396  -0.076  -0.076
  413   2HD   LYS  54           HD1      LYS  54   9.404  -1.680  -1.680
  414   1HE   LYS  54           HE2      LYS  54   9.859  -2.752  -2.752
  415   2HE   LYS  54           HE1      LYS  54  10.330  -1.224  -1.224
  416   1HZ   LYS  54           HZ2      LYS  54   8.013  -0.438  -0.438
  417   2HZ   LYS  54           HZ1      LYS  54   7.635  -2.070  -2.070
  418   3HZ   LYS  54           HZ3      LYS  54   8.119  -1.567  -1.567
  419    H    ALA  55           HN       ALA  55  14.341  -1.074  -1.074
  420    HA   ALA  55           HA       ALA  55  16.172  -0.098  -0.098
  421   1HB   ALA  55           HB3      ALA  55  15.729  -2.576  -2.576
  422   2HB   ALA  55           HB2      ALA  55  16.635  -2.308  -2.308
  423   3HB   ALA  55           HB1      ALA  55  17.419  -2.082  -2.082
  424    H    GLU  56           HN       GLU  56  15.279   1.029   1.029
  425    HA   GLU  56           HA       GLU  56  18.079   1.759   1.759
  426   1HB   GLU  56           HB1      GLU  56  15.683   0.851   0.851
  427   2HB   GLU  56           HB2      GLU  56  16.885   1.889   1.889
  428   1HG   GLU  56           HG2      GLU  56  17.861  -0.485  -0.485
  429   2HG   GLU  56           HG1      GLU  56  17.127  -0.766  -0.766
  430    H    GLY  57           HN       GLY  57  14.671   2.734   2.734
  431   1HA   GLY  57           HA1      GLY  57  13.843   4.913   4.913
  432   2HA   GLY  57           HA2      GLY  57  15.491   5.534   5.534
  433    H    SER  58           HN       SER  58  13.893   3.540   3.540
  434    HA   SER  58           HA       SER  58  14.637   5.269   5.269
  435   1HB   SER  58           HB1      SER  58  13.696   2.717   2.717
  436   2HB   SER  58           HB2      SER  58  12.277   3.519   3.519
  437    HG   SER  58           HG       SER  58  14.675   2.898   2.898
  438    H    GLU  59           HN       GLU  59  12.858   6.186   6.186
  439    HA   GLU  59           HA       GLU  59  10.942   7.768   7.768
  440   1HB   GLU  59           HB1      GLU  59  11.060   9.346   9.346
  441   2HB   GLU  59           HB2      GLU  59  12.671   8.974   8.974
  442   1HG   GLU  59           HG2      GLU  59  12.638   8.875   8.875
  443   2HG   GLU  59           HG1      GLU  59  12.945   7.276   7.276
  444    H    ILE  60           HN       ILE  60  10.270   5.061   5.061
  445    HA   ILE  60           HA       ILE  60   7.974   5.645   5.645
  446    HB   ILE  60           HB       ILE  60   8.359   3.256   3.256
  447   1HG1  ILE  60          HG12      ILE  60  10.791   2.528   2.528
  448   2HG1  ILE  60          HG11      ILE  60  10.951   3.705   3.705
  449   1HG2  ILE  60          HG22      ILE  60   9.032   5.448   5.448
  450   2HG2  ILE  60          HG21      ILE  60  10.666   5.122   5.122
  451   3HG2  ILE  60          HG23      ILE  60   9.879   3.995   3.995
  452   1HD1  ILE  60          HD11      ILE  60   8.586   1.996   1.996
  453   2HD1  ILE  60          HD13      ILE  60  10.098   1.087   1.087
  454   3HD1  ILE  60          HD12      ILE  60   9.840   2.384   2.384
  455    H    ARG  61           HN       ARG  61   6.045   4.458   4.458
  456    HA   ARG  61           HA       ARG  61   6.130   2.826   2.826
  457   1HB   ARG  61           HB2      ARG  61   5.398   5.450   5.450
  458   2HB   ARG  61           HB1      ARG  61   3.843   4.670   4.670
  459   1HG   ARG  61           HG1      ARG  61   3.856   4.671   4.671
  460   2HG   ARG  61           HG2      ARG  61   4.645   3.122   3.122
  461   1HD   ARG  61           HD2      ARG  61   6.739   3.916   3.916
  462   2HD   ARG  61           HD1      ARG  61   6.359   5.583   5.583
  463    HE   ARG  61           HE       ARG  61   4.791   4.482   4.482
  464   1HH1  ARG  61          HH21      ARG  61   7.935   5.556   5.556
  465   2HH1  ARG  61          HH22      ARG  61   7.855   6.844   6.844
  466   1HH2  ARG  61          HH11      ARG  61   4.442   6.520   6.520
  467   2HH2  ARG  61          HH12      ARG  61   5.878   7.390   7.390
  468    H    LEU  62           HN       LEU  62   4.166   1.492   1.492
  469    HA   LEU  62           HA       LEU  62   2.847   0.852   0.852
  470   1HB   LEU  62           HB1      LEU  62   4.223  -0.704  -0.704
  471   2HB   LEU  62           HB2      LEU  62   2.663  -1.385  -1.385
  472    HG   LEU  62           HG       LEU  62   3.335  -1.349  -1.349
  473   1HD1  LEU  62          HD12      LEU  62   5.896  -0.183  -0.183
  474   2HD1  LEU  62          HD11      LEU  62   5.754  -0.828  -0.828
  475   3HD1  LEU  62          HD13      LEU  62   4.798   0.574   0.574
  476   1HD2  LEU  62          HD23      LEU  62   5.110  -2.711  -2.711
  477   2HD2  LEU  62          HD22      LEU  62   3.862  -3.414  -3.414
  478   3HD2  LEU  62          HD21      LEU  62   5.405  -2.919  -2.919
  479    H    ALA  63           HN       ALA  63   0.569   0.264   0.264
  480    HA   ALA  63           HA       ALA  63  -0.791   0.539   0.539
  481   1HB   ALA  63           HB3      ALA  63  -0.297   2.809   2.809
  482   2HB   ALA  63           HB2      ALA  63  -1.717   2.326   2.326
  483   3HB   ALA  63           HB1      ALA  63  -1.840   2.560   2.560
  484    H    LYS  64           HN       LYS  64  -3.107  -0.071  -0.071
  485    HA   LYS  64           HA       LYS  64  -3.834  -1.434  -1.434
  486   1HB   LYS  64           HB2      LYS  64  -4.528  -3.386  -3.386
  487   2HB   LYS  64           HB1      LYS  64  -2.829  -3.024  -3.024
  488   1HG   LYS  64           HG2      LYS  64  -3.631  -1.627  -1.627
  489   2HG   LYS  64           HG1      LYS  64  -5.194  -2.418  -2.418
  490   1HD   LYS  64           HD2      LYS  64  -3.863  -4.634  -4.634
  491   2HD   LYS  64           HD1      LYS  64  -2.543  -3.672  -3.672
  492   1HE   LYS  64           HE2      LYS  64  -4.151  -2.854  -2.854
  493   2HE   LYS  64           HE1      LYS  64  -5.311  -4.056  -4.056
  494   1HZ   LYS  64           HZ2      LYS  64  -3.549  -5.748  -5.748
  495   2HZ   LYS  64           HZ1      LYS  64  -2.539  -4.577  -4.577
  496   3HZ   LYS  64           HZ3      LYS  64  -3.973  -5.039  -5.039
  497    H    VAL  65           HN       VAL  65  -6.225  -1.837  -1.837
  498    HA   VAL  65           HA       VAL  65  -7.813  -0.062  -0.062
  499    HB   VAL  65           HB       VAL  65  -7.907  -0.294  -0.294
  500   1HG1  VAL  65          HG12      VAL  65  -9.794   0.852   0.852
  501   2HG1  VAL  65          HG11      VAL  65  -9.530   1.774   1.774
  502   3HG1  VAL  65          HG13      VAL  65 -10.137   0.119   0.119
  503   1HG2  VAL  65          HG23      VAL  65  -6.712   1.604   1.604
  504   2HG2  VAL  65          HG22      VAL  65  -6.230   1.232   1.232
  505   3HG2  VAL  65          HG21      VAL  65  -7.572   2.337   2.337
  506    H    ASP  66           HN       ASP  66 -10.076  -0.677  -0.677
  507    HA   ASP  66           HA       ASP  66 -10.525  -3.577  -3.577
  508   1HB   ASP  66           HB2      ASP  66 -11.177  -1.660  -1.660
  509   2HB   ASP  66           HB1      ASP  66 -12.494  -2.755  -2.755
  510    H    ALA  67           HN       ALA  67 -11.312  -3.353  -3.353
  511    HA   ALA  67           HA       ALA  67 -13.081  -1.477  -1.477
  512   1HB   ALA  67           HB1      ALA  67 -11.868  -3.526  -3.526
  513   2HB   ALA  67           HB3      ALA  67 -13.290  -4.446  -4.446
  514   3HB   ALA  67           HB2      ALA  67 -13.454  -3.122  -3.122
  515    H    THR  68           HN       THR  68 -13.771  -4.055  -4.055
  516    HA   THR  68           HA       THR  68 -16.675  -3.952  -3.952
  517    HB   THR  68           HB       THR  68 -16.424  -5.335  -5.335
  518    HG1  THR  68           HG1      THR  68 -14.437  -4.974  -4.974
  519   1HG2  THR  68          HG21      THR  68 -16.825  -6.260  -6.260
  520   2HG2  THR  68          HG23      THR  68 -15.080  -6.298  -6.298
  521   3HG2  THR  68          HG22      THR  68 -15.810  -7.306  -7.306
  522    H    GLU  69           HN       GLU  69 -14.508  -1.809  -1.809
  523    HA   GLU  69           HA       GLU  69 -16.595  -0.875  -0.875
  524   1HB   GLU  69           HB2      GLU  69 -14.269  -1.936  -1.936
  525   2HB   GLU  69           HB1      GLU  69 -13.670  -0.320  -0.320
  526   1HG   GLU  69           HG1      GLU  69 -16.160  -0.435  -0.435
  527   2HG   GLU  69           HG2      GLU  69 -14.696  -0.998  -0.998
  528    H    GLU  70           HN       GLU  70 -13.730   0.208   0.208
  529    HA   GLU  70           HA       GLU  70 -15.185   2.797   2.797
  530   1HB   GLU  70           HB1      GLU  70 -12.955   3.849   3.849
  531   2HB   GLU  70           HB2      GLU  70 -13.293   2.933   2.933
  532   1HG   GLU  70           HG1      GLU  70 -12.099   1.161   1.161
  533   2HG   GLU  70           HG2      GLU  70 -11.103   2.613   2.613
  534    H    SER  71           HN       SER  71 -15.751   1.042   1.042
  535    HA   SER  71           HA       SER  71 -13.797   0.684   0.684
  536   1HB   SER  71           HB2      SER  71 -16.228  -0.331  -0.331
  537   2HB   SER  71           HB1      SER  71 -16.698   0.790   0.790
  538    HG   SER  71           HG       SER  71 -16.101  -0.863  -0.863
  539    H    ASP  72           HN       ASP  72 -15.468   3.475   3.475
  540    HA   ASP  72           HA       ASP  72 -16.216   4.848   4.848
  541   1HB   ASP  72           HB1      ASP  72 -15.868   5.366   5.366
  542   2HB   ASP  72           HB2      ASP  72 -14.671   6.428   6.428
  543    H    LEU  73           HN       LEU  73 -12.979   4.145   4.145
  544    HA   LEU  73           HA       LEU  73 -11.632   5.952   5.952
  545   1HB   LEU  73           HB2      LEU  73 -10.646   3.641   3.641
  546   2HB   LEU  73           HB1      LEU  73  -9.630   4.873   4.873
  547    HG   LEU  73           HG       LEU  73 -11.767   6.097   6.097
  548   1HD1  LEU  73          HD13      LEU  73 -10.098   3.962   3.962
  549   2HD1  LEU  73          HD12      LEU  73 -10.613   5.373   5.373
  550   3HD1  LEU  73          HD11      LEU  73 -11.817   4.304   4.304
  551   1HD2  LEU  73          HD21      LEU  73  -8.759   6.144   6.144
  552   2HD2  LEU  73          HD23      LEU  73  -9.899   7.429   7.429
  553   3HD2  LEU  73          HD22      LEU  73  -9.618   6.989   6.989
  554    H    ALA  74           HN       ALA  74 -11.879   2.408   2.408
  555    HA   ALA  74           HA       ALA  74 -10.555   1.686   1.686
  556   1HB   ALA  74           HB3      ALA  74 -12.333   0.528   0.528
  557   2HB   ALA  74           HB2      ALA  74 -12.572  -0.196  -0.196
  558   3HB   ALA  74           HB1      ALA  74 -10.974  -0.215  -0.215
  559    H    GLN  75           HN       GLN  75 -14.042   2.271   2.271
  560    HA   GLN  75           HA       GLN  75 -14.915   1.781   1.781
  561   1HB   GLN  75           HB2      GLN  75 -16.333   1.956   1.956
  562   2HB   GLN  75           HB1      GLN  75 -15.998   3.686   3.686
  563   1HG   GLN  75           HG2      GLN  75 -18.035   3.633   3.633
  564   2HG   GLN  75           HG1      GLN  75 -16.873   3.666   3.666
  565   1HE2  GLN  75          HE22      GLN  75 -19.421   0.643   0.643
  566   2HE2  GLN  75          HE21      GLN  75 -19.663   2.156   2.156
  567    H    GLN  76           HN       GLN  76 -13.305   4.494   4.494
  568    HA   GLN  76           HA       GLN  76 -13.981   6.537   6.537
  569   1HB   GLN  76           HB1      GLN  76 -12.477   6.194   6.194
  570   2HB   GLN  76           HB2      GLN  76 -11.329   6.764   6.764
  571   1HG   GLN  76           HG2      GLN  76 -12.524   8.753   8.753
  572   2HG   GLN  76           HG1      GLN  76 -14.013   8.098   8.098
  573   1HE2  GLN  76          HE22      GLN  76 -11.205   9.745   9.745
  574   2HE2  GLN  76          HE21      GLN  76 -10.863   9.500   9.500
  575    H    TYR  77           HN       TYR  77 -11.174   4.351   4.351
  576    HA   TYR  77           HA       TYR  77  -9.961   5.268   5.268
  577   1HB   TYR  77           HB2      TYR  77  -9.596   3.008   3.008
  578   2HB   TYR  77           HB1      TYR  77  -8.687   3.018   3.018
  579    HD1  TYR  77           HD2      TYR  77  -7.758   5.540   5.540
  580    HD2  TYR  77           HD1      TYR  77  -8.488   3.921   3.921
  581    HE1  TYR  77           HE2      TYR  77  -6.163   7.171   7.171
  582    HE2  TYR  77           HE1      TYR  77  -6.893   5.553   5.553
  583    HH   TYR  77           HH       TYR  77  -5.503   8.138   8.138
  584    H    GLY  78           HN       GLY  78 -11.905   2.438   2.438
  585   1HA   GLY  78           HA1      GLY  78 -13.601   1.650   1.650
  586   2HA   GLY  78           HA2      GLY  78 -12.389   1.946   1.946
  587    H    VAL  79           HN       VAL  79 -12.201   0.358   0.358
  588    HA   VAL  79           HA       VAL  79 -10.904  -1.970  -1.970
  589    HB   VAL  79           HB       VAL  79  -9.531  -0.785  -0.785
  590   1HG1  VAL  79          HG22      VAL  79 -12.045  -0.573  -0.573
  591   2HG1  VAL  79          HG21      VAL  79 -10.782  -1.215  -1.215
  592   3HG1  VAL  79          HG23      VAL  79 -10.552   0.332   0.332
  593   1HG2  VAL  79          HG13      VAL  79 -10.637  -3.427  -3.427
  594   2HG2  VAL  79          HG12      VAL  79  -9.114  -3.102  -3.102
  595   3HG2  VAL  79          HG11      VAL  79  -9.329  -2.619  -2.619
  596    H    ARG  80           HN       ARG  80 -12.253  -3.688  -3.688
  597    HA   ARG  80           HA       ARG  80 -14.347  -4.183  -4.183
  598   1HB   ARG  80           HB1      ARG  80 -15.551  -5.230  -5.230
  599   2HB   ARG  80           HB2      ARG  80 -15.276  -3.504  -3.504
  600   1HG   ARG  80           HG2      ARG  80 -13.436  -3.880  -3.880
  601   2HG   ARG  80           HG1      ARG  80 -13.397  -5.603  -5.603
  602   1HD   ARG  80           HD2      ARG  80 -14.902  -6.023  -6.023
  603   2HD   ARG  80           HD1      ARG  80 -16.042  -4.867  -4.867
  604    HE   ARG  80           HE       ARG  80 -14.991  -3.091  -3.091
  605   1HH1  ARG  80          HH21      ARG  80 -12.555  -3.040  -3.040
  606   2HH1  ARG  80          HH22      ARG  80 -12.361  -4.059  -4.059
  607   1HH2  ARG  80          HH11      ARG  80 -15.302  -5.812  -5.812
  608   2HH2  ARG  80          HH12      ARG  80 -13.915  -5.628  -5.628
  609    H    GLY  81           HN       GLY  81 -11.479  -5.194  -5.194
  610   1HA   GLY  81           HA2      GLY  81 -12.111  -8.017  -8.017
  611   2HA   GLY  81           HA1      GLY  81 -11.079  -7.740  -7.740
  612    H    TYR  82           HN       TYR  82 -11.172  -7.965  -7.965
  613    HA   TYR  82           HA       TYR  82  -8.577  -6.643  -6.643
  614   1HB   TYR  82           HB1      TYR  82 -10.236  -8.389  -8.389
  615   2HB   TYR  82           HB2      TYR  82  -9.055  -7.170  -7.170
  616    HD1  TYR  82           HD1      TYR  82  -9.743  -4.954  -4.954
  617    HD2  TYR  82           HD2      TYR  82 -12.275  -7.579  -7.579
  618    HE1  TYR  82           HE1      TYR  82 -11.532  -3.236  -3.236
  619    HE2  TYR  82           HE2      TYR  82 -14.063  -5.860  -5.860
  620    HH   TYR  82           HH       TYR  82 -13.508  -2.634  -2.634
  621    HA   PRO  83           HA       PRO  83  -7.230  -6.995  -6.995
  622   1HB   PRO  83           HB2      PRO  83  -4.541  -7.343  -7.343
  623   2HB   PRO  83           HB1      PRO  83  -5.732  -8.190  -8.190
  624   1HG   PRO  83           HG1      PRO  83  -4.060  -9.200  -9.200
  625   2HG   PRO  83           HG2      PRO  83  -4.784 -10.069 -10.069
  626   1HD   PRO  83           HD1      PRO  83  -5.709  -9.976  -9.976
  627   2HD   PRO  83           HD2      PRO  83  -6.516 -10.719 -10.719
  628    H    THR  84           HN       THR  84  -7.029  -5.038  -5.038
  629    HA   THR  84           HA       THR  84  -5.288  -4.870  -4.870
  630    HB   THR  84           HB       THR  84  -7.505  -3.024  -3.024
  631    HG1  THR  84           HG1      THR  84  -7.740  -5.097  -5.097
  632   1HG2  THR  84          HG23      THR  84  -5.669  -2.553  -2.553
  633   2HG2  THR  84          HG22      THR  84  -6.791  -3.515  -3.515
  634   3HG2  THR  84          HG21      THR  84  -7.344  -2.033  -2.033
  635    H    ILE  85           HN       ILE  85  -3.288  -4.146  -4.146
  636    HA   ILE  85           HA       ILE  85  -3.248  -2.017  -2.017
  637    HB   ILE  85           HB       ILE  85  -1.935  -4.135  -4.135
  638   1HG1  ILE  85          HG12      ILE  85   0.196  -2.110  -2.110
  639   2HG1  ILE  85          HG11      ILE  85  -1.199  -1.576  -1.576
  640   1HG2  ILE  85          HG21      ILE  85  -0.512  -3.013  -3.013
  641   2HG2  ILE  85          HG23      ILE  85   0.123  -4.322  -4.322
  642   3HG2  ILE  85          HG22      ILE  85  -1.382  -4.543  -4.543
  643   1HD1  ILE  85          HD13      ILE  85  -0.753  -4.157  -4.157
  644   2HD1  ILE  85          HD12      ILE  85   0.875  -3.517  -3.517
  645   3HD1  ILE  85          HD11      ILE  85  -0.265  -2.671  -2.671
  646    H    LYS  86           HN       LYS  86  -1.957  -0.117  -0.117
  647    HA   LYS  86           HA       LYS  86  -1.054   0.509   0.509
  648   1HB   LYS  86           HB2      LYS  86  -3.509   1.368   1.368
  649   2HB   LYS  86           HB1      LYS  86  -2.469   2.768   2.768
  650   1HG   LYS  86           HG1      LYS  86  -3.292   2.721   2.721
  651   2HG   LYS  86           HG2      LYS  86  -2.159   1.391   1.391
  652   1HD   LYS  86           HD2      LYS  86  -4.035   0.235   0.235
  653   2HD   LYS  86           HD1      LYS  86  -4.252   0.071   0.071
  654   1HE   LYS  86           HE1      LYS  86  -5.369   2.420   2.420
  655   2HE   LYS  86           HE2      LYS  86  -6.298   0.941   0.941
  656   1HZ   LYS  86           HZ3      LYS  86  -5.670   1.224   1.224
  657   2HZ   LYS  86           HZ2      LYS  86  -5.045   2.755   2.755
  658   3HZ   LYS  86           HZ1      LYS  86  -6.702   2.435   2.435
  659    H    PHE  87           HN       PHE  87   0.776   1.813   1.813
  660    HA   PHE  87           HA       PHE  87   1.802   2.558   2.558
  661   1HB   PHE  87           HB1      PHE  87   3.275   1.362   1.362
  662   2HB   PHE  87           HB2      PHE  87   2.930   2.471   2.471
  663    HD1  PHE  87           HD1      PHE  87   3.590   3.367   3.367
  664    HD2  PHE  87           HD2      PHE  87   5.083   3.354   3.354
  665    HE1  PHE  87           HE1      PHE  87   5.486   4.807   4.807
  666    HE2  PHE  87           HE2      PHE  87   6.978   4.792   4.792
  667    HZ   PHE  87           HZ       PHE  87   7.180   5.518   5.518
  668    H    PHE  88           HN       PHE  88   1.334   4.587   4.587
  669    HA   PHE  88           HA       PHE  88   0.776   6.764   6.764
  670   1HB   PHE  88           HB2      PHE  88   0.156   6.243   6.243
  671   2HB   PHE  88           HB1      PHE  88  -0.109   7.821   7.821
  672    HD1  PHE  88           HD2      PHE  88  -1.244   7.549   7.549
  673    HD2  PHE  88           HD1      PHE  88  -1.729   4.889   4.889
  674    HE1  PHE  88           HE2      PHE  88  -3.382   6.740   6.740
  675    HE2  PHE  88           HE1      PHE  88  -3.868   4.078   4.078
  676    HZ   PHE  88           HZ       PHE  88  -4.696   5.004   5.004
  677    H    ARG  89           HN       ARG  89   1.738   8.912   8.912
  678    HA   ARG  89           HA       ARG  89   4.038   8.983   8.983
  679   1HB   ARG  89           HB2      ARG  89   5.611   9.482   9.482
  680   2HB   ARG  89           HB1      ARG  89   4.893   7.880   7.880
  681   1HG   ARG  89           HG2      ARG  89   4.314   8.530   8.530
  682   2HG   ARG  89           HG1      ARG  89   3.085   9.528   9.528
  683   1HD   ARG  89           HD2      ARG  89   4.130  11.354  11.354
  684   2HD   ARG  89           HD1      ARG  89   5.525  10.973  10.973
  685    HE   ARG  89           HE       ARG  89   6.293   9.447   9.447
  686   1HH1  ARG  89          HH11      ARG  89   4.413   9.174   9.174
  687   2HH1  ARG  89          HH12      ARG  89   4.596  10.533  10.533
  688   1HH2  ARG  89          HH21      ARG  89   6.374  12.422  12.422
  689   2HH2  ARG  89          HH22      ARG  89   5.707  12.372  12.372
  690    H    ASN  90           HN       ASN  90   4.216  11.035  11.035
  691    HA   ASN  90           HA       ASN  90   3.725  13.326  13.326
  692   1HB   ASN  90           HB1      ASN  90   5.450  13.126  13.126
  693   2HB   ASN  90           HB2      ASN  90   4.122  13.335  13.335
  694   1HD2  ASN  90          HD22      ASN  90   5.727  16.587  16.587
  695   2HD2  ASN  90          HD21      ASN  90   6.467  15.060  15.060
  696    H    GLY  91           HN       GLY  91   1.318  12.010  12.010
  697   1HA   GLY  91           HA2      GLY  91  -0.967  12.226  12.226
  698   2HA   GLY  91           HA1      GLY  91  -0.588  13.938  13.938
  699    H    ASP  92           HN       ASP  92   0.038  11.001  11.001
  700    HA   ASP  92           HA       ASP  92   0.173  12.278  12.278
  701   1HB   ASP  92           HB2      ASP  92   0.425   9.751   9.751
  702   2HB   ASP  92           HB1      ASP  92  -1.076   9.601   9.601
  703    H    THR  93           HN       THR  93  -2.614  10.459  10.459
  704    HA   THR  93           HA       THR  93  -4.906  10.547  10.547
  705    HB   THR  93           HB       THR  93  -5.714  12.953  12.953
  706    HG1  THR  93           HG1      THR  93  -3.911  14.326  14.326
  707   1HG2  THR  93          HG21      THR  93  -3.977  11.519  11.519
  708   2HG2  THR  93          HG23      THR  93  -4.544  13.141  13.141
  709   3HG2  THR  93          HG22      THR  93  -5.707  11.856  11.856
  710    H    ALA  94           HN       ALA  94  -2.974  10.587  10.587
  711    HA   ALA  94           HA       ALA  94  -4.940  11.505  11.505
  712   1HB   ALA  94           HB3      ALA  94  -2.133  12.547  12.547
  713   2HB   ALA  94           HB2      ALA  94  -2.950  12.676  12.676
  714   3HB   ALA  94           HB1      ALA  94  -3.629  13.472  13.472
  715    H    SER  95           HN       SER  95  -1.498  10.807  10.807
  716    HA   SER  95           HA       SER  95  -2.264   8.332   8.332
  717   1HB   SER  95           HB2      SER  95  -1.287  10.255  10.255
  718   2HB   SER  95           HB1      SER  95   0.157  10.148  10.148
  719    HG   SER  95           HG       SER  95  -0.857   8.265   8.265
  720    HA   PRO  96           HA       PRO  96   0.252   7.039   7.039
  721   1HB   PRO  96           HB2      PRO  96  -1.283   4.863   4.863
  722   2HB   PRO  96           HB1      PRO  96  -1.618   6.496   6.496
  723   1HG   PRO  96           HG2      PRO  96  -2.899   4.993   4.993
  724   2HG   PRO  96           HG1      PRO  96  -3.630   6.072   6.072
  725   1HD   PRO  96           HD1      PRO  96  -3.082   6.815   6.815
  726   2HD   PRO  96           HD2      PRO  96  -3.147   7.952   7.952
  727    H    LYS  97           HN       LYS  97   1.281   4.790   4.790
  728    HA   LYS  97           HA       LYS  97   1.904   3.641   3.641
  729   1HB   LYS  97           HB2      LYS  97   3.209   3.662   3.662
  730   2HB   LYS  97           HB1      LYS  97   3.803   2.644   2.644
  731   1HG   LYS  97           HG2      LYS  97   3.327   5.386   5.386
  732   2HG   LYS  97           HG1      LYS  97   4.492   5.307   5.307
  733   1HD   LYS  97           HD2      LYS  97   5.905   4.967   4.967
  734   2HD   LYS  97           HD1      LYS  97   5.473   3.298   3.298
  735   1HE   LYS  97           HE2      LYS  97   4.895   3.223   3.223
  736   2HE   LYS  97           HE1      LYS  97   3.413   4.029   4.029
  737   1HZ   LYS  97           HZ2      LYS  97   4.681   6.165   6.165
  738   2HZ   LYS  97           HZ1      LYS  97   5.894   5.301   5.301
  739   3HZ   LYS  97           HZ3      LYS  97   4.336   5.403   5.403
  740    H    GLU  98           HN       GLU  98   1.888   1.304   1.304
  741    HA   GLU  98           HA       GLU  98  -0.012  -0.067  -0.067
  742   1HB   GLU  98           HB2      GLU  98  -0.649   0.171   0.171
  743   2HB   GLU  98           HB1      GLU  98   0.837  -0.649  -0.649
  744   1HG   GLU  98           HG1      GLU  98   0.143  -2.696  -2.696
  745   2HG   GLU  98           HG2      GLU  98  -1.237  -1.900  -1.900
  746    H    TYR  99           HN       TYR  99   0.804  -1.668  -1.668
  747    HA   TYR  99           HA       TYR  99   3.599  -2.397  -2.397
  748   1HB   TYR  99           HB2      TYR  99   2.145  -2.340  -2.340
  749   2HB   TYR  99           HB1      TYR  99   1.165  -3.641  -3.641
  750    HD1  TYR  99           HD2      TYR  99   4.872  -3.136  -3.136
  751    HD2  TYR  99           HD1      TYR  99   1.542  -5.555  -5.555
  752    HE1  TYR  99           HE2      TYR  99   6.438  -4.807  -4.807
  753    HE2  TYR  99           HE1      TYR  99   3.108  -7.229  -7.229
  754    HH   TYR  99           HH       TYR  99   6.623  -6.668  -6.668
  755    H    THR 100           HN       THR 100   4.529  -3.843  -3.843
  756    HA   THR 100           HA       THR 100   2.794  -5.736  -5.736
  757    HB   THR 100           HB       THR 100   4.831  -5.951  -5.951
  758    HG1  THR 100           HG1      THR 100   6.641  -5.535  -5.535
  759   1HG2  THR 100          HG22      THR 100   3.331  -3.551  -3.551
  760   2HG2  THR 100          HG21      THR 100   4.987  -3.118  -3.118
  761   3HG2  THR 100          HG23      THR 100   4.030  -4.122  -4.122
  762    H    ALA 101           HN       ALA 101   2.800  -6.703  -6.703
  763    HA   ALA 101           HA       ALA 101   4.168  -9.237  -9.237
  764   1HB   ALA 101           HB1      ALA 101   5.600  -6.968  -6.968
  765   2HB   ALA 101           HB3      ALA 101   5.378  -8.175  -8.175
  766   3HB   ALA 101           HB2      ALA 101   6.176  -8.617  -8.617
  767    H    GLY 102           HN       GLY 102   4.370  -9.836  -9.836
  768   1HA   GLY 102           HA2      GLY 102   2.733  -9.229  -9.229
  769   2HA   GLY 102           HA1      GLY 102   1.500  -9.691  -9.691
  770    H    ARG 103           HN       ARG 103   4.642 -11.039 -11.039
  771    HA   ARG 103           HA       ARG 103   3.269 -13.683 -13.683
  772   1HB   ARG 103           HB2      ARG 103   6.046 -12.995 -12.995
  773   2HB   ARG 103           HB1      ARG 103   5.459 -14.637 -14.637
  774   1HG   ARG 103           HG2      ARG 103   3.716 -14.336 -14.336
  775   2HG   ARG 103           HG1      ARG 103   4.118 -12.628 -12.628
  776   1HD   ARG 103           HD2      ARG 103   5.970 -13.059 -13.059
  777   2HD   ARG 103           HD1      ARG 103   6.347 -14.564 -14.564
  778    HE   ARG 103           HE       ARG 103   4.565 -15.674 -15.674
  779   1HH1  ARG 103          HH21      ARG 103   3.818 -12.508 -12.508
  780   2HH1  ARG 103          HH22      ARG 103   3.744 -12.579 -12.579
  781   1HH2  ARG 103          HH11      ARG 103   5.127 -15.754 -15.754
  782   2HH2  ARG 103          HH12      ARG 103   4.486 -14.417 -14.417
  783    H    GLU 104           HN       GLU 104   5.788 -11.473 -11.473
  784    HA   GLU 104           HA       GLU 104   5.514 -12.460 -12.460
  785   1HB   GLU 104           HB2      GLU 104   7.918 -13.173 -13.173
  786   2HB   GLU 104           HB1      GLU 104   6.954 -14.171 -14.171
  787   1HG   GLU 104           HG1      GLU 104   7.862 -12.031 -12.031
  788   2HG   GLU 104           HG2      GLU 104   9.252 -12.507 -12.507
  789    H    ALA 105           HN       ALA 105   6.815 -11.108 -11.108
  790    HA   ALA 105           HA       ALA 105   6.765  -8.355  -8.355
  791   1HB   ALA 105           HB1      ALA 105   7.477 -10.091 -10.091
  792   2HB   ALA 105           HB3      ALA 105   8.999  -9.271  -9.271
  793   3HB   ALA 105           HB2      ALA 105   7.574  -8.333  -8.333
  794    H    ASP 106           HN       ASP 106   9.232 -10.686 -10.686
  795    HA   ASP 106           HA       ASP 106  11.339  -8.801  -8.801
  796   1HB   ASP 106           HB2      ASP 106  10.905 -11.569 -11.569
  797   2HB   ASP 106           HB1      ASP 106  11.299 -11.202 -11.202
  798    H    ASP 107           HN       ASP 107   8.582  -9.990  -9.990
  799    HA   ASP 107           HA       ASP 107   9.464  -9.037  -9.037
  800   1HB   ASP 107           HB2      ASP 107   6.931  -9.968  -9.968
  801   2HB   ASP 107           HB1      ASP 107   6.811  -9.157  -9.157
  802    H    ILE 108           HN       ILE 108   7.755  -7.559  -7.559
  803    HA   ILE 108           HA       ILE 108   6.941  -5.180  -5.180
  804    HB   ILE 108           HB       ILE 108   7.118  -5.765  -5.765
  805   1HG1  ILE 108          HG12      ILE 108   4.827  -6.091  -6.091
  806   2HG1  ILE 108          HG11      ILE 108   5.730  -7.406  -7.406
  807   1HG2  ILE 108          HG21      ILE 108   6.851  -3.331  -3.331
  808   2HG2  ILE 108          HG23      ILE 108   5.219  -3.850  -3.850
  809   3HG2  ILE 108          HG22      ILE 108   5.751  -3.888  -3.888
  810   1HD1  ILE 108          HD11      ILE 108   4.660  -5.443  -5.443
  811   2HD1  ILE 108          HD13      ILE 108   3.420  -6.314  -6.314
  812   3HD1  ILE 108          HD12      ILE 108   4.611  -7.204  -7.204
  813    H    VAL 109           HN       VAL 109   9.471  -5.925  -5.925
  814    HA   VAL 109           HA       VAL 109  10.579  -3.338  -3.338
  815    HB   VAL 109           HB       VAL 109  11.884  -6.078  -6.078
  816   1HG1  VAL 109          HG23      VAL 109  13.111  -3.571  -3.571
  817   2HG1  VAL 109          HG22      VAL 109  12.994  -4.038  -4.038
  818   3HG1  VAL 109          HG21      VAL 109  13.821  -5.090  -5.090
  819   1HG2  VAL 109          HG11      VAL 109  10.021  -4.736  -4.736
  820   2HG2  VAL 109          HG13      VAL 109  10.654  -6.380  -6.380
  821   3HG2  VAL 109          HG12      VAL 109  11.543  -5.046  -5.046
  822    H    ASN 110           HN       ASN 110  11.192  -5.831  -5.831
  823    HA   ASN 110           HA       ASN 110  13.382  -4.499  -4.499
  824   1HB   ASN 110           HB1      ASN 110  11.421  -6.667  -6.667
  825   2HB   ASN 110           HB2      ASN 110  12.249  -5.970  -5.970
  826   1HD2  ASN 110          HD22      ASN 110  14.236  -8.540  -8.540
  827   2HD2  ASN 110          HD21      ASN 110  12.560  -8.295  -8.295
  828    H    TRP 111           HN       TRP 111   9.870  -4.247  -4.247
  829    HA   TRP 111           HA       TRP 111  10.104  -2.438  -2.438
  830   1HB   TRP 111           HB1      TRP 111   8.243  -4.211  -4.211
  831   2HB   TRP 111           HB2      TRP 111   7.582  -2.722  -2.722
  832    HD1  TRP 111           HD1      TRP 111   8.727  -4.188  -4.188
  833    HE1  TRP 111           HE1      TRP 111   7.443  -2.985  -2.985
  834    HE3  TRP 111           HE3      TRP 111   6.204  -0.699  -0.699
  835    HZ2  TRP 111           HZ2      TRP 111   5.589  -0.828  -0.828
  836    HZ3  TRP 111           HZ3      TRP 111   4.687   0.916   0.916
  837    HH2  TRP 111           HH2      TRP 111   4.376   0.855   0.855
  838    H    LEU 112           HN       LEU 112  10.326  -2.153  -2.153
  839    HA   LEU 112           HA       LEU 112   9.339   0.652   0.652
  840   1HB   LEU 112           HB2      LEU 112   9.669  -1.612  -1.612
  841   2HB   LEU 112           HB1      LEU 112  10.161  -0.067  -0.067
  842    HG   LEU 112           HG       LEU 112   7.753  -0.540  -0.540
  843   1HD1  LEU 112          HD21      LEU 112   8.817   1.814   1.814
  844   2HD1  LEU 112          HD23      LEU 112   7.838   1.690   1.690
  845   3HD1  LEU 112          HD22      LEU 112   7.066   1.647   1.647
  846   1HD2  LEU 112          HD11      LEU 112   7.549  -1.804  -1.804
  847   2HD2  LEU 112          HD13      LEU 112   6.200  -0.760  -0.760
  848   3HD2  LEU 112          HD12      LEU 112   7.376  -0.215  -0.215
  849    H    LYS 113           HN       LYS 113  12.275  -1.304  -1.304
  850    HA   LYS 113           HA       LYS 113  13.924   0.930   0.930
  851   1HB   LYS 113           HB2      LYS 113  15.709  -0.725  -0.725
  852   2HB   LYS 113           HB1      LYS 113  14.287  -1.496  -1.496
  853   1HG   LYS 113           HG2      LYS 113  13.671  -2.311  -2.311
  854   2HG   LYS 113           HG1      LYS 113  15.201  -1.660  -1.660
  855   1HD   LYS 113           HD2      LYS 113  14.907  -3.748  -3.748
  856   2HD   LYS 113           HD1      LYS 113  15.398  -4.070  -4.070
  857   1HE   LYS 113           HE2      LYS 113  17.085  -1.984  -1.984
  858   2HE   LYS 113           HE1      LYS 113  17.032  -3.170  -3.170
  859   1HZ   LYS 113           HZ3      LYS 113  17.454  -3.840  -3.840
  860   2HZ   LYS 113           HZ2      LYS 113  18.691  -3.748  -3.748
  861   3HZ   LYS 113           HZ1      LYS 113  17.477  -4.928  -4.928
  862    H    LYS 114           HN       LYS 114  12.993  -0.407  -0.407
  863    HA   LYS 114           HA       LYS 114  15.136   0.644   0.644
  864   1HB   LYS 114           HB2      LYS 114  12.346  -0.362  -0.362
  865   2HB   LYS 114           HB1      LYS 114  13.096   0.496   0.496
  866   1HG   LYS 114           HG2      LYS 114  15.147  -1.112  -1.112
  867   2HG   LYS 114           HG1      LYS 114  13.821  -2.128  -2.128
  868   1HD   LYS 114           HD2      LYS 114  14.292  -2.668  -2.668
  869   2HD   LYS 114           HD1      LYS 114  12.725  -1.863  -1.863
  870   1HE   LYS 114           HE2      LYS 114  13.490  -0.343  -0.343
  871   2HE   LYS 114           HE1      LYS 114  14.667   0.193   0.193
  872   1HZ   LYS 114           HZ1      LYS 114  15.087  -2.239  -2.239
  873   2HZ   LYS 114           HZ3      LYS 114  15.614  -0.713  -0.713
  874   3HZ   LYS 114           HZ2      LYS 114  16.230  -1.379  -1.379
  875    H    ARG 115           HN       ARG 115  12.599   2.257   2.257
  876    HA   ARG 115           HA       ARG 115  12.824   4.626   4.626
  877   1HB   ARG 115           HB2      ARG 115  10.699   3.368   3.368
  878   2HB   ARG 115           HB1      ARG 115  10.708   5.132   5.132
  879   1HG   ARG 115           HG2      ARG 115   9.530   4.900   4.900
  880   2HG   ARG 115           HG1      ARG 115  11.104   4.560   4.560
  881   1HD   ARG 115           HD2      ARG 115  10.774   2.155   2.155
  882   2HD   ARG 115           HD1      ARG 115   9.236   2.449   2.449
  883    HE   ARG 115           HE       ARG 115   8.816   3.796   3.796
  884   1HH1  ARG 115          HH11      ARG 115   8.346   0.700   0.700
  885   2HH1  ARG 115          HH12      ARG 115   8.613   0.001   0.001
  886   1HH2  ARG 115          HH21      ARG 115   9.946   2.897   2.897
  887   2HH2  ARG 115          HH22      ARG 115   9.518   1.245   1.245
  888    H    THR 116           HN       THR 116  14.533   3.645   3.645
  889    HA   THR 116           HA       THR 116  14.926   6.340   6.340
  890    HB   THR 116           HB       THR 116  12.966   5.448   5.448
  891    HG1  THR 116           HG1      THR 116  15.337   5.471   5.471
  892   1HG2  THR 116          HG23      THR 116  13.660   3.037   3.037
  893   2HG2  THR 116          HG22      THR 116  14.864   3.304   3.304
  894   3HG2  THR 116          HG21      THR 116  13.147   3.464   3.464
  895    H    GLY 117           HN       GLY 117  15.634   2.856   2.856
  896   1HA   GLY 117           HA2      GLY 117  17.741   1.798   1.798
  897   2HA   GLY 117           HA1      GLY 117  18.497   3.379   3.379
  898    HA   PRO 118           HA       PRO 118  18.637   1.886   1.886
  899   1HB   PRO 118           HB2      PRO 118  21.302   1.283   1.283
  900   2HB   PRO 118           HB1      PRO 118  20.066   0.092   0.092
  901   1HG   PRO 118           HG2      PRO 118  21.950   1.619   1.619
  902   2HG   PRO 118           HG1      PRO 118  21.393  -0.055  -0.055
  903   1HD   PRO 118           HD2      PRO 118  20.426   2.004   2.004
  904   2HD   PRO 118           HD1      PRO 118  19.501   0.536   0.536
  905    H    ALA 119           HN       ALA 119  19.741   3.114   3.114
  906    HA   ALA 119           HA       ALA 119  21.154   5.573   5.573
  907   1HB   ALA 119           HB3      ALA 119  18.602   5.582   5.582
  908   2HB   ALA 119           HB2      ALA 119  19.323   5.632   5.632
  909   3HB   ALA 119           HB1      ALA 119  19.679   6.906   6.906
  910    H    ALA 120           HN       ALA 120  20.510   3.432   3.432
  911    HA   ALA 120           HA       ALA 120  23.035   4.405   4.405
  912   1HB   ALA 120           HB2      ALA 120  20.521   4.165   4.165
  913   2HB   ALA 120           HB1      ALA 120  21.151   2.568   2.568
  914   3HB   ALA 120           HB3      ALA 120  21.959   4.013   4.013

  Start of MODEL    6
    1   1H    ASP   1           HT3      ASP   1  -2.928  11.734  11.734
    2   2H    ASP   1           HT2      ASP   1  -4.493  11.718  11.718
    3   3H    ASP   1           HT1      ASP   1  -3.714  13.195  13.195
    4    HA   ASP   1           HA       ASP   1  -3.897  12.940  12.940
    5   1HB   ASP   1           HB1      ASP   1  -6.501  12.224  12.224
    6   2HB   ASP   1           HB2      ASP   1  -6.212  12.418  12.418
    7    H    ALA   2           HN       ALA   2  -3.112  11.412  11.412
    8    HA   ALA   2           HA       ALA   2  -2.811   9.328   9.328
    9   1HB   ALA   2           HB3      ALA   2  -5.395   9.989   9.989
   10   2HB   ALA   2           HB2      ALA   2  -5.533   8.556   8.556
   11   3HB   ALA   2           HB1      ALA   2  -4.855   8.423   8.423
   12    HA   PRO   3           HA       PRO   3  -1.829   7.131   7.131
   13   1HB   PRO   3           HB2      PRO   3   0.612   6.219   6.219
   14   2HB   PRO   3           HB1      PRO   3   0.366   7.835   7.835
   15   1HG   PRO   3           HG2      PRO   3   0.696   6.999   6.999
   16   2HG   PRO   3           HG1      PRO   3   1.261   8.463   8.463
   17   1HD   PRO   3           HD2      PRO   3  -0.946   8.345   8.345
   18   2HD   PRO   3           HD1      PRO   3  -0.682   9.578   9.578
   19    H    GLU   4           HN       GLU   4  -3.570   5.615   5.615
   20    HA   GLU   4           HA       GLU   4  -3.060   3.538   3.538
   21   1HB   GLU   4           HB2      GLU   4  -5.175   4.515   4.515
   22   2HB   GLU   4           HB1      GLU   4  -5.083   2.757   2.757
   23   1HG   GLU   4           HG1      GLU   4  -6.016   4.431   4.431
   24   2HG   GLU   4           HG2      GLU   4  -6.216   2.696   2.696
   25    H    GLU   5           HN       GLU   5  -2.685   1.272   1.272
   26    HA   GLU   5           HA       GLU   5  -1.751   0.665   0.665
   27   1HB   GLU   5           HB2      GLU   5  -0.265   0.579   0.579
   28   2HB   GLU   5           HB1      GLU   5   0.165  -0.564  -0.564
   29   1HG   GLU   5           HG1      GLU   5   0.981   1.081   1.081
   30   2HG   GLU   5           HG2      GLU   5  -0.146   2.295   2.295
   31    H    GLU   6           HN       GLU   6  -1.851  -1.611  -1.611
   32    HA   GLU   6           HA       GLU   6  -3.508  -3.210  -3.210
   33   1HB   GLU   6           HB1      GLU   6  -3.577  -2.652  -2.652
   34   2HB   GLU   6           HB2      GLU   6  -3.821  -4.348  -4.348
   35   1HG   GLU   6           HG2      GLU   6  -5.300  -2.487  -2.487
   36   2HG   GLU   6           HG1      GLU   6  -5.788  -2.418  -2.418
   37    H    ASP   7           HN       ASP   7  -1.832  -4.358  -4.358
   38    HA   ASP   7           HA       ASP   7  -0.415  -6.372  -6.372
   39   1HB   ASP   7           HB2      ASP   7  -0.043  -7.433  -7.433
   40   2HB   ASP   7           HB1      ASP   7  -0.704  -6.010  -6.010
   41    H    HIS   8           HN       HIS   8   0.931  -4.366  -4.366
   42    HA   HIS   8           HA       HIS   8   3.042  -3.314  -3.314
   43   1HB   HIS   8           HB1      HIS   8   3.372  -5.810  -5.810
   44   2HB   HIS   8           HB2      HIS   8   4.026  -4.780  -4.780
   45    HD1  HIS   8           HD1      HIS   8   6.411  -4.136  -4.136
   46    HD2  HIS   8           HD2      HIS   8   4.573  -5.011  -5.011
   47    HE1  HIS   8           HE1      HIS   8   8.205  -3.931  -3.931
   48    H    VAL   9           HN       VAL   9   0.768  -2.736  -2.736
   49    HA   VAL   9           HA       VAL   9   2.435  -0.771  -0.771
   50    HB   VAL   9           HB       VAL   9   0.952  -1.313  -1.313
   51   1HG1  VAL   9          HG21      VAL   9   3.121  -2.704  -2.704
   52   2HG1  VAL   9          HG23      VAL   9   1.924  -3.993  -3.993
   53   3HG1  VAL   9          HG22      VAL   9   2.316  -3.019  -3.019
   54   1HG2  VAL   9          HG12      VAL   9  -0.660  -2.443  -2.443
   55   2HG2  VAL   9          HG11      VAL   9  -0.900  -2.571  -2.571
   56   3HG2  VAL   9          HG13      VAL   9  -0.017  -3.831  -3.831
   57    H    LEU  10           HN       LEU  10   0.856   0.925   0.925
   58    HA   LEU  10           HA       LEU  10  -0.854   1.944   1.944
   59   1HB   LEU  10           HB1      LEU  10   0.722   2.946   2.946
   60   2HB   LEU  10           HB2      LEU  10  -0.937   3.387   3.387
   61    HG   LEU  10           HG       LEU  10  -0.304   3.785   3.785
   62   1HD1  LEU  10          HD13      LEU  10   1.778   4.416   4.416
   63   2HD1  LEU  10          HD12      LEU  10   0.908   5.942   5.942
   64   3HD1  LEU  10          HD11      LEU  10   1.516   5.126   5.126
   65   1HD2  LEU  10          HD22      LEU  10  -1.936   4.882   4.882
   66   2HD2  LEU  10          HD21      LEU  10  -2.069   5.134   5.134
   67   3HD2  LEU  10          HD23      LEU  10  -1.027   6.179   6.179
   68    H    VAL  11           HN       VAL  11  -3.110   2.076   2.076
   69    HA   VAL  11           HA       VAL  11  -4.436   0.518   0.518
   70    HB   VAL  11           HB       VAL  11  -4.754  -0.037  -0.037
   71   1HG1  VAL  11          HG23      VAL  11  -6.105   2.680   2.680
   72   2HG1  VAL  11          HG22      VAL  11  -6.171   1.495   1.495
   73   3HG1  VAL  11          HG21      VAL  11  -4.634   2.239   2.239
   74   1HG2  VAL  11          HG13      VAL  11  -6.963   0.699   0.699
   75   2HG2  VAL  11          HG12      VAL  11  -6.551  -0.870  -0.870
   76   3HG2  VAL  11          HG11      VAL  11  -7.407   0.328   0.328
   77    H    LEU  12           HN       LEU  12  -5.857   1.536   1.536
   78    HA   LEU  12           HA       LEU  12  -5.965   4.501   4.501
   79   1HB   LEU  12           HB2      LEU  12  -6.220   2.354   2.354
   80   2HB   LEU  12           HB1      LEU  12  -7.096   3.853   3.853
   81    HG   LEU  12           HG       LEU  12  -4.824   3.933   3.933
   82   1HD1  LEU  12          HD12      LEU  12  -6.067   5.897   5.897
   83   2HD1  LEU  12          HD11      LEU  12  -4.591   5.774   5.774
   84   3HD1  LEU  12          HD13      LEU  12  -4.494   6.123   6.123
   85   1HD2  LEU  12          HD23      LEU  12  -3.975   3.518   3.518
   86   2HD2  LEU  12          HD22      LEU  12  -3.657   2.443   2.443
   87   3HD2  LEU  12          HD21      LEU  12  -2.887   4.027   4.027
   88    H    ARG  13           HN       ARG  13  -8.088   5.499   5.499
   89    HA   ARG  13           HA       ARG  13 -10.546   3.987   3.987
   90   1HB   ARG  13           HB1      ARG  13 -10.404   4.310   4.310
   91   2HB   ARG  13           HB2      ARG  13  -9.126   5.502   5.502
   92   1HG   ARG  13           HG2      ARG  13 -10.828   7.229   7.229
   93   2HG   ARG  13           HG1      ARG  13 -12.099   6.025   6.025
   94   1HD   ARG  13           HD2      ARG  13 -12.083   6.908   6.908
   95   2HD   ARG  13           HD1      ARG  13 -10.797   5.706   5.706
   96    HE   ARG  13           HE       ARG  13  -9.182   7.559   7.559
   97   1HH1  ARG  13          HH11      ARG  13 -11.596   7.953   7.953
   98   2HH1  ARG  13          HH12      ARG  13 -11.557   9.684   9.684
   99   1HH2  ARG  13          HH21      ARG  13  -9.459   9.947   9.947
  100   2HH2  ARG  13          HH22      ARG  13 -10.348  10.812  10.812
  101    H    LYS  14           HN       LYS  14 -12.464   5.630   5.630
  102    HA   LYS  14           HA       LYS  14 -12.587   6.962   6.962
  103   1HB   LYS  14           HB2      LYS  14 -14.061   6.802   6.802
  104   2HB   LYS  14           HB1      LYS  14 -14.089   8.475   8.475
  105   1HG   LYS  14           HG2      LYS  14 -14.626   7.422   7.422
  106   2HG   LYS  14           HG1      LYS  14 -15.084   6.000   6.000
  107   1HD   LYS  14           HD1      LYS  14 -16.360   7.931   7.931
  108   2HD   LYS  14           HD2      LYS  14 -16.412   8.646   8.646
  109   1HE   LYS  14           HE2      LYS  14 -18.210   7.304   7.304
  110   2HE   LYS  14           HE1      LYS  14 -17.069   5.944   5.944
  111   1HZ   LYS  14           HZ3      LYS  14 -18.042   7.074   7.074
  112   2HZ   LYS  14           HZ2      LYS  14 -18.952   5.900   5.900
  113   3HZ   LYS  14           HZ1      LYS  14 -17.378   5.541   5.541
  114    H    SER  15           HN       SER  15 -11.809   8.591   8.591
  115    HA   SER  15           HA       SER  15 -10.921  10.988  10.988
  116   1HB   SER  15           HB2      SER  15 -11.669  10.288  10.288
  117   2HB   SER  15           HB1      SER  15 -10.701  11.732  11.732
  118    HG   SER  15           HG       SER  15 -12.341  12.669  12.669
  119    H    ASN  16           HN       ASN  16  -9.450   8.162   8.162
  120    HA   ASN  16           HA       ASN  16  -6.964   9.381   9.381
  121   1HB   ASN  16           HB1      ASN  16  -8.295   6.793   6.793
  122   2HB   ASN  16           HB2      ASN  16  -6.588   6.658   6.658
  123   1HD2  ASN  16          HD22      ASN  16  -6.412   6.417   6.417
  124   2HD2  ASN  16          HD21      ASN  16  -6.664   5.457   5.457
  125    H    PHE  17           HN       PHE  17  -8.229   8.013   8.013
  126    HA   PHE  17           HA       PHE  17  -5.876   7.432   7.432
  127   1HB   PHE  17           HB1      PHE  17  -8.265   7.067   7.067
  128   2HB   PHE  17           HB2      PHE  17  -8.389   8.794   8.794
  129    HD1  PHE  17           HD2      PHE  17  -6.924   9.823   9.823
  130    HD2  PHE  17           HD1      PHE  17  -7.175   5.578   5.578
  131    HE1  PHE  17           HE2      PHE  17  -5.935   9.451   9.451
  132    HE2  PHE  17           HE1      PHE  17  -6.189   5.204   5.204
  133    HZ   PHE  17           HZ       PHE  17  -5.539   7.152   7.152
  134    H    ALA  18           HN       ALA  18  -7.685  10.510  10.510
  135    HA   ALA  18           HA       ALA  18  -5.765  11.994  11.994
  136   1HB   ALA  18           HB1      ALA  18  -8.064  12.491  12.491
  137   2HB   ALA  18           HB3      ALA  18  -6.960  13.851  13.851
  138   3HB   ALA  18           HB2      ALA  18  -7.740  13.135  13.135
  139    H    GLU  19           HN       GLU  19  -5.770  11.061  11.061
  140    HA   GLU  19           HA       GLU  19  -3.833  13.058  13.058
  141   1HB   GLU  19           HB2      GLU  19  -5.526  11.924  11.924
  142   2HB   GLU  19           HB1      GLU  19  -4.677  10.400  10.400
  143   1HG   GLU  19           HG2      GLU  19  -4.000  11.458  11.458
  144   2HG   GLU  19           HG1      GLU  19  -2.641  11.373  11.373
  145    H    ALA  20           HN       ALA  20  -3.559   9.491   9.491
  146    HA   ALA  20           HA       ALA  20  -0.762   9.298   9.298
  147   1HB   ALA  20           HB1      ALA  20  -2.752   7.561   7.561
  148   2HB   ALA  20           HB3      ALA  20  -2.307   7.536   7.536
  149   3HB   ALA  20           HB2      ALA  20  -1.123   7.084   7.084
  150    H    LEU  21           HN       LEU  21  -2.745  10.032  10.032
  151    HA   LEU  21           HA       LEU  21  -0.822   9.735   9.735
  152   1HB   LEU  21           HB2      LEU  21  -3.365  11.120  11.120
  153   2HB   LEU  21           HB1      LEU  21  -2.369  11.919  11.919
  154    HG   LEU  21           HG       LEU  21  -3.910  10.214  10.214
  155   1HD1  LEU  21          HD23      LEU  21  -1.022  10.371  10.371
  156   2HD1  LEU  21          HD22      LEU  21  -1.635   8.781   8.781
  157   3HD1  LEU  21          HD21      LEU  21  -2.274  10.226  10.226
  158   1HD2  LEU  21          HD12      LEU  21  -3.077   8.691   8.691
  159   2HD2  LEU  21          HD11      LEU  21  -4.105   8.149   8.149
  160   3HD2  LEU  21          HD13      LEU  21  -2.360   7.897   7.897
  161    H    ALA  22           HN       ALA  22  -1.421  12.442  12.442
  162    HA   ALA  22           HA       ALA  22   0.902  13.909  13.909
  163   1HB   ALA  22           HB2      ALA  22  -1.358  14.704  14.704
  164   2HB   ALA  22           HB1      ALA  22  -0.096  15.803  15.803
  165   3HB   ALA  22           HB3      ALA  22  -1.226  15.098  15.098
  166    H    ALA  23           HN       ALA  23  -0.110  12.119  12.119
  167    HA   ALA  23           HA       ALA  23   1.476  13.214  13.214
  168   1HB   ALA  23           HB3      ALA  23  -0.240  11.169  11.169
  169   2HB   ALA  23           HB2      ALA  23   1.264  10.250  10.250
  170   3HB   ALA  23           HB1      ALA  23   0.901  11.253  11.253
  171    H    HIS  24           HN       HIS  24   2.374  10.627  10.627
  172    HA   HIS  24           HA       HIS  24   5.248  11.332  11.332
  173   1HB   HIS  24           HB1      HIS  24   3.821   8.971   8.971
  174   2HB   HIS  24           HB2      HIS  24   4.831   8.574   8.574
  175    HD1  HIS  24           HD1      HIS  24   5.068   9.900   9.900
  176    HD2  HIS  24           HD2      HIS  24   7.583   8.439   8.439
  177    HE1  HIS  24           HE1      HIS  24   7.348   9.609   9.609
  178    H    LYS  25           HN       LYS  25   6.601  11.218  11.218
  179    HA   LYS  25           HA       LYS  25   5.540  11.889  11.889
  180   1HB   LYS  25           HB1      LYS  25   8.092  10.979  10.979
  181   2HB   LYS  25           HB2      LYS  25   7.934  10.654  10.654
  182   1HG   LYS  25           HG2      LYS  25   8.565  12.807  12.807
  183   2HG   LYS  25           HG1      LYS  25   6.944  13.232  13.232
  184   1HD   LYS  25           HD2      LYS  25   7.924  14.321  14.321
  185   2HD   LYS  25           HD1      LYS  25   8.375  12.740  12.740
  186   1HE   LYS  25           HE2      LYS  25  10.524  13.488  13.488
  187   2HE   LYS  25           HE1      LYS  25  10.299  13.176  13.176
  188   1HZ   LYS  25           HZ3      LYS  25   9.173  15.443  15.443
  189   2HZ   LYS  25           HZ2      LYS  25   9.906  15.709  15.709
  190   3HZ   LYS  25           HZ1      LYS  25  10.863  15.427  15.427
  191    H    TYR  26           HN       TYR  26   7.364   8.854   8.854
  192    HA   TYR  26           HA       TYR  26   5.637   7.592   7.592
  193   1HB   TYR  26           HB2      TYR  26   7.789   6.453   6.453
  194   2HB   TYR  26           HB1      TYR  26   7.184   5.713   5.713
  195    HD1  TYR  26           HD2      TYR  26   6.976   7.925   7.925
  196    HD2  TYR  26           HD1      TYR  26   9.992   7.144   7.144
  197    HE1  TYR  26           HE2      TYR  26   8.612   9.242   9.242
  198    HE2  TYR  26           HE1      TYR  26  11.628   8.462   8.462
  199    HH   TYR  26           HH       TYR  26  10.931  10.600  10.600
  200    H    LEU  27           HN       LEU  27   3.558   7.110   7.110
  201    HA   LEU  27           HA       LEU  27   3.306   5.734   5.734
  202   1HB   LEU  27           HB1      LEU  27   2.162   8.028   8.028
  203   2HB   LEU  27           HB2      LEU  27   0.970   6.889   6.889
  204    HG   LEU  27           HG       LEU  27   0.337   7.556   7.556
  205   1HD1  LEU  27          HD21      LEU  27   0.184   5.097   5.097
  206   2HD1  LEU  27          HD23      LEU  27   1.525   4.803   4.803
  207   3HD1  LEU  27          HD22      LEU  27  -0.010   5.413   5.413
  208   1HD2  LEU  27          HD12      LEU  27   2.792   8.084   8.084
  209   2HD2  LEU  27          HD11      LEU  27   1.779   7.395   7.395
  210   3HD2  LEU  27          HD13      LEU  27   2.925   6.372   6.372
  211    H    LEU  28           HN       LEU  28   2.877   3.573   3.573
  212    HA   LEU  28           HA       LEU  28   1.789   2.494   2.494
  213   1HB   LEU  28           HB1      LEU  28   3.780   1.708   1.708
  214   2HB   LEU  28           HB2      LEU  28   2.439   0.652   0.652
  215    HG   LEU  28           HG       LEU  28   3.860  -0.346  -0.346
  216   1HD1  LEU  28          HD21      LEU  28   1.080  -0.154  -0.154
  217   2HD1  LEU  28          HD23      LEU  28   1.481   0.194   0.194
  218   3HD1  LEU  28          HD22      LEU  28   2.012  -1.316  -1.316
  219   1HD2  LEU  28          HD13      LEU  28   4.261   2.085   2.085
  220   2HD2  LEU  28          HD12      LEU  28   4.265   0.693   0.693
  221   3HD2  LEU  28          HD11      LEU  28   2.831   1.715   1.715
  222    H    VAL  29           HN       VAL  29  -0.265   1.580   1.580
  223    HA   VAL  29           HA       VAL  29  -1.744   1.054   1.054
  224    HB   VAL  29           HB       VAL  29  -2.117   3.414   3.414
  225   1HG1  VAL  29          HG12      VAL  29  -2.736   2.678   2.678
  226   2HG1  VAL  29          HG11      VAL  29  -3.027   4.271   4.271
  227   3HG1  VAL  29          HG13      VAL  29  -1.381   3.648   3.648
  228   1HG2  VAL  29          HG21      VAL  29  -4.138   1.727   1.727
  229   2HG2  VAL  29          HG23      VAL  29  -4.435   3.445   3.445
  230   3HG2  VAL  29          HG22      VAL  29  -4.566   2.312   2.312
  231    H    GLU  30           HN       GLU  30  -2.901  -0.783  -0.783
  232    HA   GLU  30           HA       GLU  30  -3.636  -1.536  -1.536
  233   1HB   GLU  30           HB2      GLU  30  -1.903  -2.948  -2.948
  234   2HB   GLU  30           HB1      GLU  30  -2.857  -3.182  -3.182
  235   1HG   GLU  30           HG1      GLU  30  -4.663  -4.184  -4.184
  236   2HG   GLU  30           HG2      GLU  30  -3.425  -4.224  -4.224
  237    H    PHE  31           HN       PHE  31  -5.722  -2.560  -2.560
  238    HA   PHE  31           HA       PHE  31  -7.641  -1.975  -1.975
  239   1HB   PHE  31           HB1      PHE  31  -7.980  -2.281  -2.281
  240   2HB   PHE  31           HB2      PHE  31  -9.255  -1.839  -1.839
  241    HD1  PHE  31           HD2      PHE  31  -6.013  -0.760  -0.760
  242    HD2  PHE  31           HD1      PHE  31  -9.446   0.389   0.389
  243    HE1  PHE  31           HE2      PHE  31  -5.315   1.616   1.616
  244    HE2  PHE  31           HE1      PHE  31  -8.749   2.764   2.764
  245    HZ   PHE  31           HZ       PHE  31  -6.682   3.377   3.377
  246    H    TYR  32           HN       TYR  32  -8.387  -3.784  -3.784
  247    HA   TYR  32           HA       TYR  32  -8.940  -6.226  -6.226
  248   1HB   TYR  32           HB2      TYR  32  -7.582  -7.603  -7.603
  249   2HB   TYR  32           HB1      TYR  32  -6.588  -6.214  -6.214
  250    HD1  TYR  32           HD2      TYR  32  -6.398  -4.277  -4.277
  251    HD2  TYR  32           HD1      TYR  32  -8.133  -8.063  -8.063
  252    HE1  TYR  32           HE2      TYR  32  -6.113  -3.743  -3.743
  253    HE2  TYR  32           HE1      TYR  32  -7.848  -7.529  -7.529
  254    HH   TYR  32           HH       TYR  32  -6.248  -5.986  -5.986
  255    H    ALA  33           HN       ALA  33 -10.140  -7.887  -7.887
  256    HA   ALA  33           HA       ALA  33 -11.754  -6.501  -6.501
  257   1HB   ALA  33           HB3      ALA  33 -12.634  -6.815  -6.815
  258   2HB   ALA  33           HB2      ALA  33 -13.097  -8.386  -8.386
  259   3HB   ALA  33           HB1      ALA  33 -13.716  -6.907  -6.907
  260    HA   PRO  34           HA       PRO  34 -11.322 -10.235 -10.235
  261   1HB   PRO  34           HB1      PRO  34 -13.816 -10.583 -10.583
  262   2HB   PRO  34           HB2      PRO  34 -12.674  -9.348  -9.348
  263   1HG   PRO  34           HG2      PRO  34 -14.994  -9.080  -9.080
  264   2HG   PRO  34           HG1      PRO  34 -14.483  -8.010  -8.010
  265   1HD   PRO  34           HD2      PRO  34 -13.941  -7.458  -7.458
  266   2HD   PRO  34           HD1      PRO  34 -12.837  -7.012  -7.012
  267    H    TRP  35           HN       TRP  35 -13.961 -10.032 -10.032
  268    HA   TRP  35           HA       TRP  35 -14.418 -12.936 -12.936
  269   1HB   TRP  35           HB2      TRP  35 -16.025 -12.342 -12.342
  270   2HB   TRP  35           HB1      TRP  35 -16.197 -11.246 -11.246
  271    HD1  TRP  35           HD1      TRP  35 -15.820  -8.736  -8.736
  272    HE1  TRP  35           HE1      TRP  35 -15.181  -7.320  -7.320
  273    HE3  TRP  35           HE3      TRP  35 -14.507 -12.447 -12.447
  274    HZ2  TRP  35           HZ2      TRP  35 -14.236  -7.707  -7.707
  275    HZ3  TRP  35           HZ3      TRP  35 -13.742 -11.894 -11.894
  276    HH2  TRP  35           HH2      TRP  35 -13.605  -9.532  -9.532
  277    H    CYS  36           HN       CYS  36 -12.274 -10.698 -10.698
  278    HA   CYS  36           HA       CYS  36 -11.819 -11.991 -11.991
  279   1HB   CYS  36           HB2      CYS  36 -11.020  -9.745  -9.745
  280   2HB   CYS  36           HB1      CYS  36  -9.881 -10.544 -10.544
  281    H    GLY  37           HN       GLY  37 -10.840 -13.943 -13.943
  282   1HA   GLY  37           HA2      GLY  37  -9.656 -15.451 -15.451
  283   2HA   GLY  37           HA1      GLY  37 -10.143 -16.138 -16.138
  284    H    HIS  38           HN       HIS  38  -8.726 -13.881 -13.881
  285    HA   HIS  38           HA       HIS  38  -6.036 -15.140 -15.140
  286   1HB   HIS  38           HB2      HIS  38  -7.663 -14.565 -14.565
  287   2HB   HIS  38           HB1      HIS  38  -6.880 -12.990 -12.990
  288    HD1  HIS  38           HD1      HIS  38  -4.161 -13.067 -13.067
  289    HD2  HIS  38           HD2      HIS  38  -6.141 -16.480 -16.480
  290    HE1  HIS  38           HE1      HIS  38  -2.471 -14.393 -14.393
  291    H    CYS  39           HN       CYS  39  -7.313 -12.800 -12.800
  292    HA   CYS  39           HA       CYS  39  -5.225 -10.739 -10.739
  293   1HB   CYS  39           HB2      CYS  39  -7.701 -11.026 -11.026
  294   2HB   CYS  39           HB1      CYS  39  -6.589  -9.671  -9.671
  295    H    LYS  40           HN       LYS  40  -5.639 -13.590 -13.590
  296    HA   LYS  40           HA       LYS  40  -4.010 -12.666 -12.666
  297   1HB   LYS  40           HB2      LYS  40  -5.264 -15.315 -15.315
  298   2HB   LYS  40           HB1      LYS  40  -4.443 -15.022 -15.022
  299   1HG   LYS  40           HG2      LYS  40  -6.121 -13.647 -13.647
  300   2HG   LYS  40           HG1      LYS  40  -6.603 -13.124 -13.124
  301   1HD   LYS  40           HD2      LYS  40  -8.240 -14.668 -14.668
  302   2HD   LYS  40           HD1      LYS  40  -7.027 -15.940 -15.940
  303   1HE   LYS  40           HE2      LYS  40  -7.641 -14.453 -14.453
  304   2HE   LYS  40           HE1      LYS  40  -8.923 -15.516 -15.516
  305   1HZ   LYS  40           HZ1      LYS  40  -6.100 -16.392 -16.392
  306   2HZ   LYS  40           HZ3      LYS  40  -7.145 -16.589 -16.589
  307   3HZ   LYS  40           HZ2      LYS  40  -7.495 -17.348 -17.348
  308    H    ALA  41           HN       ALA  41  -3.622 -14.346 -14.346
  309    HA   ALA  41           HA       ALA  41  -1.322 -15.914 -15.914
  310   1HB   ALA  41           HB3      ALA  41  -2.465 -14.367 -14.367
  311   2HB   ALA  41           HB2      ALA  41  -0.913 -15.185 -15.185
  312   3HB   ALA  41           HB1      ALA  41  -2.356 -16.114 -16.114
  313    H    LEU  42           HN       LEU  42  -1.606 -12.412 -12.412
  314    HA   LEU  42           HA       LEU  42   1.346 -12.177 -12.177
  315   1HB   LEU  42           HB1      LEU  42   0.175 -11.562 -11.562
  316   2HB   LEU  42           HB2      LEU  42  -0.294 -10.101 -10.101
  317    HG   LEU  42           HG       LEU  42   2.184  -9.896  -9.896
  318   1HD1  LEU  42          HD13      LEU  42   2.470 -12.372 -12.372
  319   2HD1  LEU  42          HD12      LEU  42   2.742 -11.520 -11.520
  320   3HD1  LEU  42          HD11      LEU  42   3.779 -11.199 -11.199
  321   1HD2  LEU  42          HD23      LEU  42   1.252  -9.625  -9.625
  322   2HD2  LEU  42          HD22      LEU  42   1.222  -8.385  -8.385
  323   3HD2  LEU  42          HD21      LEU  42   2.763  -8.942  -8.942
  324    H    ALA  43           HN       ALA  43  -1.084 -12.143 -12.143
  325    HA   ALA  43           HA       ALA  43  -1.468  -9.427  -9.427
  326   1HB   ALA  43           HB3      ALA  43  -2.258 -12.162 -12.162
  327   2HB   ALA  43           HB2      ALA  43  -2.032 -11.163 -11.163
  328   3HB   ALA  43           HB1      ALA  43  -3.166 -10.662 -10.662
  329    HA   PRO  44           HA       PRO  44   1.619 -10.556 -10.556
  330   1HB   PRO  44           HB2      PRO  44   3.010 -12.887 -12.887
  331   2HB   PRO  44           HB1      PRO  44   1.439 -12.756 -12.756
  332   1HG   PRO  44           HG2      PRO  44   2.109 -13.836 -13.836
  333   2HG   PRO  44           HG1      PRO  44   0.884 -14.373 -14.373
  334   1HD   PRO  44           HD1      PRO  44   0.356 -12.862 -12.862
  335   2HD   PRO  44           HD2      PRO  44  -0.677 -12.917 -12.917
  336    H    GLU  45           HN       GLU  45   2.365 -11.289 -11.289
  337    HA   GLU  45           HA       GLU  45   5.243 -10.902 -10.902
  338   1HB   GLU  45           HB2      GLU  45   3.237 -10.578 -10.578
  339   2HB   GLU  45           HB1      GLU  45   4.985 -10.663 -10.663
  340   1HG   GLU  45           HG1      GLU  45   4.898 -12.909 -12.909
  341   2HG   GLU  45           HG2      GLU  45   4.151 -12.883 -12.883
  342    H    TYR  46           HN       TYR  46   2.395  -8.966  -8.966
  343    HA   TYR  46           HA       TYR  46   3.443  -6.447  -6.447
  344   1HB   TYR  46           HB1      TYR  46   1.031  -7.636  -7.636
  345   2HB   TYR  46           HB2      TYR  46   1.274  -6.487  -6.487
  346    HD1  TYR  46           HD2      TYR  46   0.829  -6.910  -6.910
  347    HD2  TYR  46           HD1      TYR  46   1.360  -4.128  -4.128
  348    HE1  TYR  46           HE2      TYR  46   0.138  -5.051  -5.051
  349    HE2  TYR  46           HE1      TYR  46   0.670  -2.255  -2.255
  350    HH   TYR  46           HH       TYR  46   0.201  -1.667  -1.667
  351    H    ALA  47           HN       ALA  47   2.419  -7.414  -7.414
  352    HA   ALA  47           HA       ALA  47   3.549  -5.336  -5.336
  353   1HB   ALA  47           HB3      ALA  47   1.978  -7.187  -7.187
  354   2HB   ALA  47           HB2      ALA  47   3.378  -8.256  -8.256
  355   3HB   ALA  47           HB1      ALA  47   3.268  -6.860  -6.860
  356    H    LYS  48           HN       LYS  48   5.115  -8.270  -8.270
  357    HA   LYS  48           HA       LYS  48   7.554  -7.980  -7.980
  358   1HB   LYS  48           HB2      LYS  48   6.689  -9.428  -9.428
  359   2HB   LYS  48           HB1      LYS  48   8.331  -9.556  -9.556
  360   1HG   LYS  48           HG2      LYS  48   5.798 -10.263 -10.263
  361   2HG   LYS  48           HG1      LYS  48   6.972 -11.408 -11.408
  362   1HD   LYS  48           HD2      LYS  48   8.582  -9.773  -9.773
  363   2HD   LYS  48           HD1      LYS  48   7.097  -9.759  -9.759
  364   1HE   LYS  48           HE2      LYS  48   7.127 -12.345 -12.345
  365   2HE   LYS  48           HE1      LYS  48   8.833 -12.116 -12.116
  366   1HZ   LYS  48           HZ2      LYS  48   9.151 -10.850 -10.850
  367   2HZ   LYS  48           HZ1      LYS  48   7.522 -11.080 -11.080
  368   3HZ   LYS  48           HZ3      LYS  48   8.576 -12.407 -12.407
  369    H    ALA  49           HN       ALA  49   6.279  -6.306  -6.306
  370    HA   ALA  49           HA       ALA  49   8.891  -5.568  -5.568
  371   1HB   ALA  49           HB3      ALA  49   6.860  -5.873  -5.873
  372   2HB   ALA  49           HB2      ALA  49   6.071  -4.561  -4.561
  373   3HB   ALA  49           HB1      ALA  49   7.471  -4.225  -4.225
  374    H    ALA  50           HN       ALA  50   6.515  -4.235  -4.235
  375    HA   ALA  50           HA       ALA  50   7.651  -1.545  -1.545
  376   1HB   ALA  50           HB3      ALA  50   5.507  -3.124  -3.124
  377   2HB   ALA  50           HB2      ALA  50   6.165  -1.809  -1.809
  378   3HB   ALA  50           HB1      ALA  50   5.468  -1.470  -1.470
  379    H    GLY  51           HN       GLY  51   8.284  -4.570  -4.570
  380   1HA   GLY  51           HA2      GLY  51   9.675  -3.394  -3.394
  381   2HA   GLY  51           HA1      GLY  51   9.681  -5.099  -5.099
  382    H    LYS  52           HN       LYS  52  10.520  -4.409  -4.409
  383    HA   LYS  52           HA       LYS  52  13.353  -4.659  -4.659
  384   1HB   LYS  52           HB2      LYS  52  11.549  -3.867  -3.867
  385   2HB   LYS  52           HB1      LYS  52  13.277  -4.167  -4.167
  386   1HG   LYS  52           HG1      LYS  52  11.752  -6.251  -6.251
  387   2HG   LYS  52           HG2      LYS  52  11.412  -6.110  -6.110
  388   1HD   LYS  52           HD2      LYS  52  14.254  -6.171  -6.171
  389   2HD   LYS  52           HD1      LYS  52  13.358  -7.672  -7.672
  390   1HE   LYS  52           HE2      LYS  52  12.790  -6.406  -6.406
  391   2HE   LYS  52           HE1      LYS  52  14.428  -5.797  -5.797
  392   1HZ   LYS  52           HZ2      LYS  52  15.100  -8.102  -8.102
  393   2HZ   LYS  52           HZ1      LYS  52  13.561  -8.640  -8.640
  394   3HZ   LYS  52           HZ3      LYS  52  14.590  -7.905  -7.905
  395    H    LEU  53           HN       LEU  53  11.453  -1.869  -1.869
  396    HA   LEU  53           HA       LEU  53  13.648  -0.038  -0.038
  397   1HB   LEU  53           HB1      LEU  53  11.833   1.630   1.630
  398   2HB   LEU  53           HB2      LEU  53  11.469   0.212   0.212
  399    HG   LEU  53           HG       LEU  53  10.345  -0.554  -0.554
  400   1HD1  LEU  53          HD11      LEU  53  10.907   2.237   2.237
  401   2HD1  LEU  53          HD13      LEU  53   9.159   2.032   2.032
  402   3HD1  LEU  53          HD12      LEU  53  10.073   1.157   1.157
  403   1HD2  LEU  53          HD22      LEU  53   9.286   1.015   1.015
  404   2HD2  LEU  53          HD21      LEU  53   9.023  -0.680  -0.680
  405   3HD2  LEU  53          HD23      LEU  53   8.206   0.587   0.587
  406    H    LYS  54           HN       LYS  54  11.770  -1.242  -1.242
  407    HA   LYS  54           HA       LYS  54  11.917   0.894   0.894
  408   1HB   LYS  54           HB2      LYS  54  10.942  -1.626  -1.626
  409   2HB   LYS  54           HB1      LYS  54  12.382  -1.894  -1.894
  410   1HG   LYS  54           HG2      LYS  54  10.721  -1.331  -1.331
  411   2HG   LYS  54           HG1      LYS  54  11.605   0.178   0.178
  412   1HD   LYS  54           HD2      LYS  54   9.915   1.036   1.036
  413   2HD   LYS  54           HD1      LYS  54   9.111  -0.532  -0.532
  414   1HE   LYS  54           HE2      LYS  54   8.084  -0.265  -0.265
  415   2HE   LYS  54           HE1      LYS  54   9.454   0.634   0.634
  416   1HZ   LYS  54           HZ3      LYS  54   8.869   2.430   2.430
  417   2HZ   LYS  54           HZ2      LYS  54   7.403   1.609   1.609
  418   3HZ   LYS  54           HZ1      LYS  54   7.775   2.227   2.227
  419    H    ALA  55           HN       ALA  55  14.310  -1.629  -1.629
  420    HA   ALA  55           HA       ALA  55  16.236  -0.561  -0.561
  421   1HB   ALA  55           HB3      ALA  55  15.676  -3.021  -3.021
  422   2HB   ALA  55           HB2      ALA  55  17.001  -2.561  -2.561
  423   3HB   ALA  55           HB1      ALA  55  17.249  -2.600  -2.600
  424    H    GLU  56           HN       GLU  56  15.515  -0.250  -0.250
  425    HA   GLU  56           HA       GLU  56  18.173   0.827   0.827
  426   1HB   GLU  56           HB1      GLU  56  15.655   0.005   0.005
  427   2HB   GLU  56           HB2      GLU  56  16.534   1.309   1.309
  428   1HG   GLU  56           HG2      GLU  56  18.598  -0.349  -0.349
  429   2HG   GLU  56           HG1      GLU  56  17.304  -1.539  -1.539
  430    H    GLY  57           HN       GLY  57  14.964   2.010   2.010
  431   1HA   GLY  57           HA1      GLY  57  14.318   4.190   4.190
  432   2HA   GLY  57           HA2      GLY  57  15.996   4.698   4.698
  433    H    SER  58           HN       SER  58  14.161   3.060   3.060
  434    HA   SER  58           HA       SER  58  14.795   5.056   5.056
  435   1HB   SER  58           HB2      SER  58  13.223   2.559   2.559
  436   2HB   SER  58           HB1      SER  58  12.704   3.635   3.635
  437    HG   SER  58           HG       SER  58  14.931   3.685   3.685
  438    H    GLU  59           HN       GLU  59  13.030   6.232   6.232
  439    HA   GLU  59           HA       GLU  59  11.149   7.519   7.519
  440   1HB   GLU  59           HB1      GLU  59  11.104   9.281   9.281
  441   2HB   GLU  59           HB2      GLU  59  12.746   8.922   8.922
  442   1HG   GLU  59           HG2      GLU  59  13.308   7.870   7.870
  443   2HG   GLU  59           HG1      GLU  59  11.650   7.361   7.361
  444    H    ILE  60           HN       ILE  60  10.679   4.851   4.851
  445    HA   ILE  60           HA       ILE  60   8.310   5.563   5.563
  446    HB   ILE  60           HB       ILE  60   8.575   3.302   3.302
  447   1HG1  ILE  60          HG11      ILE  60  10.772   3.020   3.020
  448   2HG1  ILE  60          HG12      ILE  60   9.231   2.169   2.169
  449   1HG2  ILE  60          HG21      ILE  60  11.195   4.806   4.806
  450   2HG2  ILE  60          HG23      ILE  60  10.906   3.508   3.508
  451   3HG2  ILE  60          HG22      ILE  60   9.987   5.009   5.009
  452   1HD1  ILE  60          HD11      ILE  60  10.482   1.821   1.821
  453   2HD1  ILE  60          HD13      ILE  60  11.642   1.411   1.411
  454   3HD1  ILE  60          HD12      ILE  60  10.081   0.592   0.592
  455    H    ARG  61           HN       ARG  61   6.275   5.068   5.068
  456    HA   ARG  61           HA       ARG  61   6.115   3.572   3.572
  457   1HB   ARG  61           HB2      ARG  61   4.971   6.022   6.022
  458   2HB   ARG  61           HB1      ARG  61   3.730   4.953   4.953
  459   1HG   ARG  61           HG1      ARG  61   6.248   5.612   5.612
  460   2HG   ARG  61           HG2      ARG  61   4.793   6.602   6.602
  461   1HD   ARG  61           HD2      ARG  61   3.998   5.142   5.142
  462   2HD   ARG  61           HD1      ARG  61   3.964   3.891   3.891
  463    HE   ARG  61           HE       ARG  61   6.517   3.690   3.690
  464   1HH1  ARG  61          HH11      ARG  61   6.955   5.254   5.254
  465   2HH1  ARG  61          HH12      ARG  61   6.452   4.292   4.292
  466   1HH2  ARG  61          HH21      ARG  61   4.572   2.103   2.103
  467   2HH2  ARG  61          HH22      ARG  61   5.101   2.506   2.506
  468    H    LEU  62           HN       LEU  62   4.192   2.185   2.185
  469    HA   LEU  62           HA       LEU  62   3.086   1.166   1.166
  470   1HB   LEU  62           HB2      LEU  62   4.553  -0.121  -0.121
  471   2HB   LEU  62           HB1      LEU  62   3.111  -0.994  -0.994
  472    HG   LEU  62           HG       LEU  62   4.881   0.047   0.047
  473   1HD1  LEU  62          HD21      LEU  62   5.767  -1.828  -1.828
  474   2HD1  LEU  62          HD23      LEU  62   6.024  -2.391  -2.391
  475   3HD1  LEU  62          HD22      LEU  62   6.726  -0.862  -0.862
  476   1HD2  LEU  62          HD13      LEU  62   2.758  -1.837  -1.837
  477   2HD2  LEU  62          HD12      LEU  62   3.560  -1.367  -1.367
  478   3HD2  LEU  62          HD11      LEU  62   4.183  -2.718  -2.718
  479    H    ALA  63           HN       ALA  63   0.840   0.708   0.708
  480    HA   ALA  63           HA       ALA  63  -0.547   0.809   0.809
  481   1HB   ALA  63           HB2      ALA  63  -0.192   3.057   3.057
  482   2HB   ALA  63           HB1      ALA  63  -1.781   2.495   2.495
  483   3HB   ALA  63           HB3      ALA  63  -1.483   2.847   2.847
  484    H    LYS  64           HN       LYS  64  -2.935   0.335   0.335
  485    HA   LYS  64           HA       LYS  64  -3.521  -1.253  -1.253
  486   1HB   LYS  64           HB2      LYS  64  -4.324  -3.086  -3.086
  487   2HB   LYS  64           HB1      LYS  64  -2.616  -2.746  -2.746
  488   1HG   LYS  64           HG2      LYS  64  -3.050  -1.626  -1.626
  489   2HG   LYS  64           HG1      LYS  64  -4.758  -1.405  -1.405
  490   1HD   LYS  64           HD2      LYS  64  -4.576  -3.178  -3.178
  491   2HD   LYS  64           HD1      LYS  64  -5.037  -3.900  -3.900
  492   1HE   LYS  64           HE1      LYS  64  -2.263  -3.921  -3.921
  493   2HE   LYS  64           HE2      LYS  64  -2.601  -4.313  -4.313
  494   1HZ   LYS  64           HZ3      LYS  64  -4.272  -5.920  -5.920
  495   2HZ   LYS  64           HZ2      LYS  64  -3.820  -5.596  -5.596
  496   3HZ   LYS  64           HZ1      LYS  64  -2.713  -6.316  -6.316
  497    H    VAL  65           HN       VAL  65  -5.889  -1.694  -1.694
  498    HA   VAL  65           HA       VAL  65  -7.563   0.259   0.259
  499    HB   VAL  65           HB       VAL  65  -7.497  -0.356  -0.356
  500   1HG1  VAL  65          HG11      VAL  65  -9.601   0.765   0.765
  501   2HG1  VAL  65          HG13      VAL  65  -9.167   1.815   1.815
  502   3HG1  VAL  65          HG12      VAL  65  -9.703   0.161   0.161
  503   1HG2  VAL  65          HG21      VAL  65  -5.818   1.266   1.266
  504   2HG2  VAL  65          HG23      VAL  65  -6.543   1.733   1.733
  505   3HG2  VAL  65          HG22      VAL  65  -7.198   2.365   2.365
  506    H    ASP  66           HN       ASP  66  -9.765  -0.409  -0.409
  507    HA   ASP  66           HA       ASP  66 -10.191  -3.344  -3.344
  508   1HB   ASP  66           HB1      ASP  66 -11.059  -1.209  -1.209
  509   2HB   ASP  66           HB2      ASP  66 -12.135  -2.585  -2.585
  510    H    ALA  67           HN       ALA  67 -10.979  -3.346  -3.346
  511    HA   ALA  67           HA       ALA  67 -12.719  -1.586  -1.586
  512   1HB   ALA  67           HB1      ALA  67 -11.618  -3.575  -3.575
  513   2HB   ALA  67           HB3      ALA  67 -12.709  -4.623  -4.623
  514   3HB   ALA  67           HB2      ALA  67 -13.346  -3.570  -3.570
  515    H    THR  68           HN       THR  68 -13.466  -3.856  -3.856
  516    HA   THR  68           HA       THR  68 -16.391  -3.515  -3.515
  517    HB   THR  68           HB       THR  68 -15.454  -5.717  -5.717
  518    HG1  THR  68           HG1      THR  68 -17.083  -6.041  -6.041
  519   1HG2  THR  68          HG23      THR  68 -14.142  -4.144  -4.144
  520   2HG2  THR  68          HG22      THR  68 -14.490  -5.855  -5.855
  521   3HG2  THR  68          HG21      THR  68 -13.441  -5.352  -5.352
  522    H    GLU  69           HN       GLU  69 -14.371  -1.337  -1.337
  523    HA   GLU  69           HA       GLU  69 -15.991  -0.462  -0.462
  524   1HB   GLU  69           HB2      GLU  69 -13.631  -1.614  -1.614
  525   2HB   GLU  69           HB1      GLU  69 -13.022  -0.025  -0.025
  526   1HG   GLU  69           HG1      GLU  69 -15.221  -0.210  -0.210
  527   2HG   GLU  69           HG2      GLU  69 -13.563  -0.548  -0.548
  528    HA   GLU  70           HA       GLU  70 -14.781   3.188   3.188
  529   1HB   GLU  70           HB1      GLU  70 -12.534   4.179   4.179
  530   2HB   GLU  70           HB2      GLU  70 -12.675   3.243   3.243
  531   1HG   GLU  70           HG2      GLU  70 -10.890   2.839   2.839
  532   2HG   GLU  70           HG1      GLU  70 -10.826   2.131   2.131
  533    HE1  GLU  70           HN       GLU  70 -13.355   0.555   0.555
  534    H    SER  71           HN       SER  71 -15.387   1.048   1.048
  535    HA   SER  71           HA       SER  71 -13.831   0.855   0.855
  536   1HB   SER  71           HB2      SER  71 -15.510  -0.724  -0.724
  537   2HB   SER  71           HB1      SER  71 -16.652   0.408   0.408
  538    HG   SER  71           HG       SER  71 -16.674  -0.373  -0.373
  539    H    ASP  72           HN       ASP  72 -15.742   3.483   3.483
  540    HA   ASP  72           HA       ASP  72 -16.691   4.776   4.776
  541   1HB   ASP  72           HB1      ASP  72 -16.112   5.342   5.342
  542   2HB   ASP  72           HB2      ASP  72 -15.489   6.680   6.680
  543    H    LEU  73           HN       LEU  73 -13.366   4.301   4.301
  544    HA   LEU  73           HA       LEU  73 -12.400   6.326   6.326
  545   1HB   LEU  73           HB1      LEU  73 -10.875   4.543   4.543
  546   2HB   LEU  73           HB2      LEU  73 -10.266   5.985   5.985
  547    HG   LEU  73           HG       LEU  73 -12.630   6.778   6.778
  548   1HD1  LEU  73          HD13      LEU  73 -11.237   4.605   4.605
  549   2HD1  LEU  73          HD12      LEU  73 -11.327   6.072   6.072
  550   3HD1  LEU  73          HD11      LEU  73 -12.804   5.333   5.333
  551   1HD2  LEU  73          HD23      LEU  73  -9.791   7.396   7.396
  552   2HD2  LEU  73          HD22      LEU  73 -11.158   8.474   8.474
  553   3HD2  LEU  73          HD21      LEU  73 -10.439   7.591   7.591
  554    H    ALA  74           HN       ALA  74 -12.234   2.855   2.855
  555    HA   ALA  74           HA       ALA  74 -10.529   2.116   2.116
  556   1HB   ALA  74           HB1      ALA  74 -12.200   0.918   0.918
  557   2HB   ALA  74           HB3      ALA  74 -12.302   0.005   0.005
  558   3HB   ALA  74           HB2      ALA  74 -10.734   0.279   0.279
  559    H    GLN  75           HN       GLN  75 -14.096   1.855   1.855
  560    HA   GLN  75           HA       GLN  75 -14.637   1.099   1.099
  561   1HB   GLN  75           HB2      GLN  75 -16.202   1.106   1.106
  562   2HB   GLN  75           HB1      GLN  75 -16.272   2.865   2.865
  563   1HG   GLN  75           HG1      GLN  75 -18.157   2.200   2.200
  564   2HG   GLN  75           HG2      GLN  75 -16.943   2.457   2.457
  565   1HE2  GLN  75          HE21      GLN  75 -19.245   0.244   0.244
  566   2HE2  GLN  75          HE22      GLN  75 -18.599  -1.160  -1.160
  567    H    GLN  76           HN       GLN  76 -13.810   4.218   4.218
  568    HA   GLN  76           HA       GLN  76 -14.752   5.925   5.925
  569   1HB   GLN  76           HB2      GLN  76 -13.716   6.317   6.317
  570   2HB   GLN  76           HB1      GLN  76 -12.202   6.422   6.422
  571   1HG   GLN  76           HG1      GLN  76 -13.544   8.054   8.054
  572   2HG   GLN  76           HG2      GLN  76 -14.628   8.191   8.191
  573   1HE2  GLN  76          HE22      GLN  76 -11.229  10.286  10.286
  574   2HE2  GLN  76          HE21      GLN  76 -11.890   9.578   9.578
  575    H    TYR  77           HN       TYR  77 -11.673   4.224   4.224
  576    HA   TYR  77           HA       TYR  77 -10.421   5.243   5.243
  577   1HB   TYR  77           HB2      TYR  77  -9.929   2.922   2.922
  578   2HB   TYR  77           HB1      TYR  77  -8.846   3.304   3.304
  579    HD1  TYR  77           HD2      TYR  77  -8.206   5.905   5.905
  580    HD2  TYR  77           HD1      TYR  77  -9.457   3.877   3.877
  581    HE1  TYR  77           HE2      TYR  77  -7.127   7.664   7.664
  582    HE2  TYR  77           HE1      TYR  77  -8.380   5.636   5.636
  583    HH   TYR  77           HH       TYR  77  -7.677   7.956   7.956
  584    H    GLY  78           HN       GLY  78 -11.819   2.054   2.054
  585   1HA   GLY  78           HA1      GLY  78 -13.412   1.181   1.181
  586   2HA   GLY  78           HA2      GLY  78 -12.104   1.552   1.552
  587    H    VAL  79           HN       VAL  79 -12.084   0.026   0.026
  588    HA   VAL  79           HA       VAL  79 -10.663  -2.300  -2.300
  589    HB   VAL  79           HB       VAL  79  -9.237  -0.950  -0.950
  590   1HG1  VAL  79          HG23      VAL  79 -11.674  -0.724  -0.724
  591   2HG1  VAL  79          HG22      VAL  79 -10.330  -1.248  -1.248
  592   3HG1  VAL  79          HG21      VAL  79 -10.204   0.246   0.246
  593   1HG2  VAL  79          HG13      VAL  79 -10.189  -3.548  -3.548
  594   2HG2  VAL  79          HG12      VAL  79  -8.748  -3.259  -3.259
  595   3HG2  VAL  79          HG11      VAL  79  -8.838  -2.643  -2.643
  596    H    ARG  80           HN       ARG  80 -11.714  -4.231  -4.231
  597    HA   ARG  80           HA       ARG  80 -13.712  -4.569  -4.569
  598   1HB   ARG  80           HB2      ARG  80 -13.959  -4.695  -4.695
  599   2HB   ARG  80           HB1      ARG  80 -14.775  -5.982  -5.982
  600   1HG   ARG  80           HG2      ARG  80 -15.684  -4.046  -4.046
  601   2HG   ARG  80           HG1      ARG  80 -15.229  -3.009  -3.009
  602   1HD   ARG  80           HD2      ARG  80 -16.547  -5.034  -5.034
  603   2HD   ARG  80           HD1      ARG  80 -17.462  -4.928  -4.928
  604    HE   ARG  80           HE       ARG  80 -17.604  -2.431  -2.431
  605   1HH1  ARG  80          HH21      ARG  80 -15.806  -3.432  -3.432
  606   2HH1  ARG  80          HH22      ARG  80 -16.907  -2.975  -2.975
  607   1HH2  ARG  80          HH11      ARG  80 -19.549  -2.382  -2.382
  608   2HH2  ARG  80          HH12      ARG  80 -19.026  -2.381  -2.381
  609    H    GLY  81           HN       GLY  81 -10.822  -5.576  -5.576
  610   1HA   GLY  81           HA2      GLY  81 -11.404  -8.408  -8.408
  611   2HA   GLY  81           HA1      GLY  81 -10.375  -8.084  -8.084
  612    H    TYR  82           HN       TYR  82 -10.595  -7.913  -7.913
  613    HA   TYR  82           HA       TYR  82  -7.967  -6.717  -6.717
  614   1HB   TYR  82           HB1      TYR  82  -9.717  -8.343  -8.343
  615   2HB   TYR  82           HB2      TYR  82  -8.471  -7.189  -7.189
  616    HD1  TYR  82           HD1      TYR  82  -8.923  -4.939  -4.939
  617    HD2  TYR  82           HD2      TYR  82 -11.769  -7.431  -7.431
  618    HE1  TYR  82           HE1      TYR  82 -10.592  -3.107  -3.107
  619    HE2  TYR  82           HE2      TYR  82 -13.437  -5.597  -5.597
  620    HH   TYR  82           HH       TYR  82 -13.327  -3.111  -3.111
  621    HA   PRO  83           HA       PRO  83  -6.639  -7.022  -7.022
  622   1HB   PRO  83           HB1      PRO  83  -3.943  -7.317  -7.317
  623   2HB   PRO  83           HB2      PRO  83  -5.095  -8.174  -8.174
  624   1HG   PRO  83           HG2      PRO  83  -3.492  -9.168  -9.168
  625   2HG   PRO  83           HG1      PRO  83  -4.063 -10.022 -10.022
  626   1HD   PRO  83           HD2      PRO  83  -5.179 -10.146 -10.146
  627   2HD   PRO  83           HD1      PRO  83  -5.923 -10.734 -10.734
  628    H    THR  84           HN       THR  84  -6.699  -5.186  -5.186
  629    HA   THR  84           HA       THR  84  -4.964  -5.053  -5.053
  630    HB   THR  84           HB       THR  84  -7.168  -3.252  -3.252
  631    HG1  THR  84           HG1      THR  84  -7.978  -5.247  -5.247
  632   1HG2  THR  84          HG23      THR  84  -5.426  -2.274  -2.274
  633   2HG2  THR  84          HG22      THR  84  -6.073  -3.393  -3.393
  634   3HG2  THR  84          HG21      THR  84  -7.114  -2.155  -2.155
  635    H    ILE  85           HN       ILE  85  -2.914  -4.628  -4.628
  636    HA   ILE  85           HA       ILE  85  -2.492  -2.632  -2.632
  637    HB   ILE  85           HB       ILE  85  -0.611  -3.889  -3.889
  638   1HG1  ILE  85          HG12      ILE  85  -0.642  -4.903  -4.903
  639   2HG1  ILE  85          HG11      ILE  85  -2.161  -5.169  -5.169
  640   1HG2  ILE  85          HG21      ILE  85  -0.139  -2.544  -2.544
  641   2HG2  ILE  85          HG23      ILE  85   1.088  -3.446  -3.446
  642   3HG2  ILE  85          HG22      ILE  85   0.405  -1.971  -1.971
  643   1HD1  ILE  85          HD13      ILE  85  -0.558  -5.946  -5.946
  644   2HD1  ILE  85          HD12      ILE  85   0.578  -6.210  -6.210
  645   3HD1  ILE  85          HD11      ILE  85  -0.970  -7.056  -7.056
  646    H    LYS  86           HN       LYS  86  -1.526  -0.547  -0.547
  647    HA   LYS  86           HA       LYS  86  -1.253   0.563   0.563
  648   1HB   LYS  86           HB2      LYS  86  -3.599   0.786   0.786
  649   2HB   LYS  86           HB1      LYS  86  -2.797   2.351   2.351
  650   1HG   LYS  86           HG1      LYS  86  -3.801   2.790   2.790
  651   2HG   LYS  86           HG2      LYS  86  -2.488   1.824   1.824
  652   1HD   LYS  86           HD2      LYS  86  -4.074  -0.201  -0.201
  653   2HD   LYS  86           HD1      LYS  86  -5.336   1.032   1.032
  654   1HE   LYS  86           HE1      LYS  86  -3.606   1.407   1.407
  655   2HE   LYS  86           HE2      LYS  86  -4.242  -0.248  -0.248
  656   1HZ   LYS  86           HZ3      LYS  86  -6.455   0.694   0.694
  657   2HZ   LYS  86           HZ2      LYS  86  -5.815   2.261   2.261
  658   3HZ   LYS  86           HZ1      LYS  86  -5.844   1.223   1.223
  659    H    PHE  87           HN       PHE  87   0.224   2.307   2.307
  660    HA   PHE  87           HA       PHE  87   1.424   3.041   3.041
  661   1HB   PHE  87           HB1      PHE  87   2.883   1.650   1.650
  662   2HB   PHE  87           HB2      PHE  87   2.639   2.707   2.707
  663    HD1  PHE  87           HD1      PHE  87   3.200   3.612   3.612
  664    HD2  PHE  87           HD2      PHE  87   4.771   3.644   3.644
  665    HE1  PHE  87           HE1      PHE  87   5.088   5.033   5.033
  666    HE2  PHE  87           HE2      PHE  87   6.658   5.066   5.066
  667    HZ   PHE  87           HZ       PHE  87   6.821   5.760   5.760
  668    H    PHE  88           HN       PHE  88   1.480   5.215   5.215
  669    HA   PHE  88           HA       PHE  88   0.732   7.121   7.121
  670   1HB   PHE  88           HB1      PHE  88   0.132   6.885   6.885
  671   2HB   PHE  88           HB2      PHE  88   0.048   8.461   8.461
  672    HD1  PHE  88           HD1      PHE  88  -1.297   5.003   5.003
  673    HD2  PHE  88           HD2      PHE  88  -1.728   9.015   9.015
  674    HE1  PHE  88           HE1      PHE  88  -3.525   4.426   4.426
  675    HE2  PHE  88           HE2      PHE  88  -3.956   8.437   8.437
  676    HZ   PHE  88           HZ       PHE  88  -4.855   6.142   6.142
  677    H    ARG  89           HN       ARG  89   1.761   9.281   9.281
  678    HA   ARG  89           HA       ARG  89   4.373   9.231   9.231
  679   1HB   ARG  89           HB2      ARG  89   4.583   8.755   8.755
  680   2HB   ARG  89           HB1      ARG  89   3.771  10.281  10.281
  681   1HG   ARG  89           HG2      ARG  89   5.575  11.493  11.493
  682   2HG   ARG  89           HG1      ARG  89   6.398   9.959   9.959
  683   1HD   ARG  89           HD2      ARG  89   7.352  11.096  11.096
  684   2HD   ARG  89           HD1      ARG  89   6.518   9.610   9.610
  685    HE   ARG  89           HE       ARG  89   4.689  11.844  11.844
  686   1HH1  ARG  89          HH11      ARG  89   6.013   9.545   9.545
  687   2HH1  ARG  89          HH12      ARG  89   6.051  10.507  10.507
  688   1HH2  ARG  89          HH21      ARG  89   5.264  13.462  13.462
  689   2HH2  ARG  89          HH22      ARG  89   5.626  12.726  12.726
  690    H    ASN  90           HN       ASN  90   3.919  10.723  10.723
  691    HA   ASN  90           HA       ASN  90   3.343  12.788  12.788
  692   1HB   ASN  90           HB1      ASN  90   5.318  13.238  13.238
  693   2HB   ASN  90           HB2      ASN  90   4.180  13.771  13.771
  694   1HD2  ASN  90          HD21      ASN  90   3.980  16.008  16.008
  695   2HD2  ASN  90          HD22      ASN  90   4.046  16.999  16.999
  696    H    GLY  91           HN       GLY  91   0.980  11.835  11.835
  697   1HA   GLY  91           HA1      GLY  91  -1.243  12.260  12.260
  698   2HA   GLY  91           HA2      GLY  91  -0.764  13.954  13.954
  699    H    ASP  92           HN       ASP  92  -1.053  11.137  11.137
  700    HA   ASP  92           HA       ASP  92  -0.441  12.771  12.771
  701   1HB   ASP  92           HB1      ASP  92   0.030  10.173  10.173
  702   2HB   ASP  92           HB2      ASP  92  -1.412   9.990   9.990
  703    H    THR  93           HN       THR  93  -3.081  10.537  10.537
  704    HA   THR  93           HA       THR  93  -5.362  10.533  10.533
  705    HB   THR  93           HB       THR  93  -5.533  13.460  13.460
  706    HG1  THR  93           HG1      THR  93  -4.714  13.762  13.762
  707   1HG2  THR  93          HG22      THR  93  -7.160  11.439  11.439
  708   2HG2  THR  93          HG21      THR  93  -6.483  11.794  11.794
  709   3HG2  THR  93          HG23      THR  93  -7.325  13.055  13.055
  710    H    ALA  94           HN       ALA  94  -3.828  10.232  10.232
  711    HA   ALA  94           HA       ALA  94  -5.541  11.332  11.332
  712   1HB   ALA  94           HB1      ALA  94  -3.347  12.891  12.891
  713   2HB   ALA  94           HB3      ALA  94  -2.965  12.373  12.373
  714   3HB   ALA  94           HB2      ALA  94  -4.448  13.274  13.274
  715    H    SER  95           HN       SER  95  -2.058  10.567  10.567
  716    HA   SER  95           HA       SER  95  -2.593   8.213   8.213
  717   1HB   SER  95           HB2      SER  95  -1.367  10.595  10.595
  718   2HB   SER  95           HB1      SER  95   0.007   9.567   9.567
  719    HG   SER  95           HG       SER  95  -0.571   9.327   9.327
  720    HA   PRO  96           HA       PRO  96  -0.147   7.031   7.031
  721   1HB   PRO  96           HB1      PRO  96  -1.687   4.874   4.874
  722   2HB   PRO  96           HB2      PRO  96  -2.025   6.520   6.520
  723   1HG   PRO  96           HG2      PRO  96  -3.292   4.970   4.970
  724   2HG   PRO  96           HG1      PRO  96  -4.033   6.067   6.067
  725   1HD   PRO  96           HD2      PRO  96  -3.483   6.771   6.771
  726   2HD   PRO  96           HD1      PRO  96  -3.542   7.930   7.930
  727    H    LYS  97           HN       LYS  97   1.045   4.931   4.931
  728    HA   LYS  97           HA       LYS  97   1.530   3.645   3.645
  729   1HB   LYS  97           HB2      LYS  97   3.003   4.239   4.239
  730   2HB   LYS  97           HB1      LYS  97   3.381   2.669   2.669
  731   1HG   LYS  97           HG2      LYS  97   3.243   5.037   5.037
  732   2HG   LYS  97           HG1      LYS  97   4.658   4.873   4.873
  733   1HD   LYS  97           HD2      LYS  97   5.396   2.971   2.971
  734   2HD   LYS  97           HD1      LYS  97   3.762   2.437   2.437
  735   1HE   LYS  97           HE2      LYS  97   4.418   3.123   3.123
  736   2HE   LYS  97           HE1      LYS  97   3.877   4.698   4.698
  737   1HZ   LYS  97           HZ2      LYS  97   6.620   3.671   3.671
  738   2HZ   LYS  97           HZ1      LYS  97   6.220   4.621   4.621
  739   3HZ   LYS  97           HZ3      LYS  97   6.050   5.257   5.257
  740    H    GLU  98           HN       GLU  98   1.894   1.231   1.231
  741    HA   GLU  98           HA       GLU  98   0.064  -0.110  -0.110
  742   1HB   GLU  98           HB2      GLU  98  -0.491  -1.611  -1.611
  743   2HB   GLU  98           HB1      GLU  98  -0.898   0.074   0.074
  744   1HG   GLU  98           HG2      GLU  98   1.837  -0.424  -0.424
  745   2HG   GLU  98           HG1      GLU  98   0.781  -1.607  -1.607
  746    H    TYR  99           HN       TYR  99   0.850  -2.019  -2.019
  747    HA   TYR  99           HA       TYR  99   3.696  -2.523  -2.523
  748   1HB   TYR  99           HB1      TYR  99   1.359  -3.256  -3.256
  749   2HB   TYR  99           HB2      TYR  99   2.230  -4.729  -4.729
  750    HD1  TYR  99           HD2      TYR  99   4.680  -4.934  -4.934
  751    HD2  TYR  99           HD1      TYR  99   2.226  -1.727  -1.727
  752    HE1  TYR  99           HE2      TYR  99   6.369  -4.443  -4.443
  753    HE2  TYR  99           HE1      TYR  99   3.913  -1.238  -1.238
  754    HH   TYR  99           HH       TYR  99   7.059  -2.658  -2.658
  755    H    THR 100           HN       THR 100   4.796  -4.291  -4.291
  756    HA   THR 100           HA       THR 100   3.238  -5.816  -5.816
  757    HB   THR 100           HB       THR 100   5.441  -5.785  -5.785
  758    HG1  THR 100           HG1      THR 100   6.994  -4.329  -4.329
  759   1HG2  THR 100          HG22      THR 100   3.518  -3.767  -3.767
  760   2HG2  THR 100          HG21      THR 100   5.069  -2.931  -2.931
  761   3HG2  THR 100          HG23      THR 100   4.678  -3.934  -3.934
  762    H    ALA 101           HN       ALA 101   3.711  -6.627  -6.627
  763    HA   ALA 101           HA       ALA 101   5.134  -9.185  -9.185
  764   1HB   ALA 101           HB3      ALA 101   6.547  -7.220  -7.220
  765   2HB   ALA 101           HB2      ALA 101   5.692  -7.663  -7.663
  766   3HB   ALA 101           HB1      ALA 101   6.701  -8.851  -8.851
  767    H    GLY 102           HN       GLY 102   5.075  -9.825  -9.825
  768   1HA   GLY 102           HA2      GLY 102   3.034  -9.712  -9.712
  769   2HA   GLY 102           HA1      GLY 102   2.139 -10.322 -10.322
  770    H    ARG 103           HN       ARG 103   5.157 -11.112 -11.112
  771    HA   ARG 103           HA       ARG 103   4.269 -13.968 -13.968
  772   1HB   ARG 103           HB2      ARG 103   6.633 -12.679 -12.679
  773   2HB   ARG 103           HB1      ARG 103   6.974 -14.150 -14.150
  774   1HG   ARG 103           HG2      ARG 103   5.084 -15.256 -15.256
  775   2HG   ARG 103           HG1      ARG 103   5.046 -13.822 -13.822
  776   1HD   ARG 103           HD2      ARG 103   7.746 -14.968 -14.968
  777   2HD   ARG 103           HD1      ARG 103   6.621 -15.993 -15.993
  778    HE   ARG 103           HE       ARG 103   6.609 -14.362 -14.362
  779   1HH1  ARG 103          HH11      ARG 103   5.771 -11.906 -11.906
  780   2HH1  ARG 103          HH12      ARG 103   7.173 -10.923 -10.923
  781   1HH2  ARG 103          HH21      ARG 103   9.340 -13.620 -13.620
  782   2HH2  ARG 103          HH22      ARG 103   9.194 -11.895 -11.895
  783    H    GLU 104           HN       GLU 104   6.484 -11.519 -11.519
  784    HA   GLU 104           HA       GLU 104   6.062 -12.566 -12.566
  785   1HB   GLU 104           HB2      GLU 104   8.453 -13.107 -13.107
  786   2HB   GLU 104           HB1      GLU 104   7.760 -14.078 -14.078
  787   1HG   GLU 104           HG1      GLU 104   8.582 -12.097 -12.097
  788   2HG   GLU 104           HG2      GLU 104   9.663 -11.760 -11.760
  789    H    ALA 105           HN       ALA 105   7.061 -11.138 -11.138
  790    HA   ALA 105           HA       ALA 105   6.760  -8.401  -8.401
  791   1HB   ALA 105           HB1      ALA 105   7.475 -10.086 -10.086
  792   2HB   ALA 105           HB3      ALA 105   9.014  -9.274  -9.274
  793   3HB   ALA 105           HB2      ALA 105   7.584  -8.331  -8.331
  794    H    ASP 106           HN       ASP 106   9.522 -10.370 -10.370
  795    HA   ASP 106           HA       ASP 106  11.455  -8.286  -8.286
  796   1HB   ASP 106           HB1      ASP 106  11.361 -10.612 -10.612
  797   2HB   ASP 106           HB2      ASP 106  11.437 -10.975 -10.975
  798    H    ASP 107           HN       ASP 107   8.959  -9.596  -9.596
  799    HA   ASP 107           HA       ASP 107   9.705  -8.114  -8.114
  800   1HB   ASP 107           HB2      ASP 107   7.588  -9.852  -9.852
  801   2HB   ASP 107           HB1      ASP 107   6.913  -8.532  -8.532
  802    H    ILE 108           HN       ILE 108   8.009  -7.250  -7.250
  803    HA   ILE 108           HA       ILE 108   6.668  -4.889  -4.889
  804    HB   ILE 108           HB       ILE 108   7.461  -5.718  -5.718
  805   1HG1  ILE 108          HG12      ILE 108   6.090  -7.403  -7.403
  806   2HG1  ILE 108          HG11      ILE 108   5.242  -6.720  -6.720
  807   1HG2  ILE 108          HG22      ILE 108   5.567  -3.641  -3.641
  808   2HG2  ILE 108          HG21      ILE 108   5.368  -4.302  -4.302
  809   3HG2  ILE 108          HG23      ILE 108   6.843  -3.434  -3.434
  810   1HD1  ILE 108          HD11      ILE 108   4.927  -5.743  -5.743
  811   2HD1  ILE 108          HD13      ILE 108   3.810  -6.840  -6.840
  812   3HD1  ILE 108          HD12      ILE 108   4.013  -5.192  -5.192
  813    H    VAL 109           HN       VAL 109   9.561  -5.369  -5.369
  814    HA   VAL 109           HA       VAL 109  10.332  -2.605  -2.605
  815    HB   VAL 109           HB       VAL 109  11.946  -5.163  -5.163
  816   1HG1  VAL 109          HG22      VAL 109  12.740  -2.424  -2.424
  817   2HG1  VAL 109          HG21      VAL 109  12.829  -3.009  -3.009
  818   3HG1  VAL 109          HG23      VAL 109  13.720  -3.838  -3.838
  819   1HG2  VAL 109          HG13      VAL 109   9.800  -4.593  -4.593
  820   2HG2  VAL 109          HG12      VAL 109  11.250  -5.284  -5.284
  821   3HG2  VAL 109          HG11      VAL 109  10.949  -3.549  -3.549
  822    H    ASN 110           HN       ASN 110  11.343  -5.315  -5.315
  823    HA   ASN 110           HA       ASN 110  13.363  -4.027  -4.027
  824   1HB   ASN 110           HB1      ASN 110  11.539  -6.307  -6.307
  825   2HB   ASN 110           HB2      ASN 110  12.007  -5.642  -5.642
  826   1HD2  ASN 110          HD22      ASN 110  14.591  -8.125  -8.125
  827   2HD2  ASN 110          HD21      ASN 110  12.899  -8.224  -8.224
  828    H    TRP 111           HN       TRP 111   9.886  -4.222  -4.222
  829    HA   TRP 111           HA       TRP 111  10.018  -2.472  -2.472
  830   1HB   TRP 111           HB1      TRP 111   8.223  -4.144  -4.144
  831   2HB   TRP 111           HB2      TRP 111   7.687  -2.976  -2.976
  832    HD1  TRP 111           HD1      TRP 111   7.896  -3.518  -3.518
  833    HE1  TRP 111           HE1      TRP 111   6.347  -1.820  -1.820
  834    HE3  TRP 111           HE3      TRP 111   6.549  -0.649  -0.649
  835    HZ2  TRP 111           HZ2      TRP 111   4.750   0.455   0.455
  836    HZ3  TRP 111           HZ3      TRP 111   5.015   1.275   1.275
  837    HH2  TRP 111           HH2      TRP 111   4.114   1.830   1.830
  838    H    LEU 112           HN       LEU 112   9.912  -1.890  -1.890
  839    HA   LEU 112           HA       LEU 112   9.009   0.897   0.897
  840   1HB   LEU 112           HB1      LEU 112   9.300  -1.136  -1.136
  841   2HB   LEU 112           HB2      LEU 112  10.241   0.260   0.260
  842    HG   LEU 112           HG       LEU 112   7.892   0.392   0.392
  843   1HD1  LEU 112          HD23      LEU 112   9.211   2.449   2.449
  844   2HD1  LEU 112          HD22      LEU 112   8.495   2.429   2.429
  845   3HD1  LEU 112          HD21      LEU 112   7.472   2.670   2.670
  846   1HD2  LEU 112          HD13      LEU 112   7.297  -0.667  -0.667
  847   2HD2  LEU 112          HD12      LEU 112   6.122   0.000   0.000
  848   3HD2  LEU 112          HD11      LEU 112   6.782   1.013   1.013
  849    H    LYS 113           HN       LYS 113  12.079  -0.830  -0.830
  850    HA   LYS 113           HA       LYS 113  13.579   1.701   1.701
  851   1HB   LYS 113           HB2      LYS 113  15.440   0.209   0.209
  852   2HB   LYS 113           HB1      LYS 113  14.027  -0.381  -0.381
  853   1HG   LYS 113           HG2      LYS 113  13.597  -1.983  -1.983
  854   2HG   LYS 113           HG1      LYS 113  15.099  -1.446  -1.446
  855   1HD   LYS 113           HD2      LYS 113  15.050  -2.453  -2.453
  856   2HD   LYS 113           HD1      LYS 113  15.195  -3.566  -3.566
  857   1HE   LYS 113           HE2      LYS 113  17.014  -1.174  -1.174
  858   2HE   LYS 113           HE1      LYS 113  17.385  -2.592  -2.592
  859   1HZ   LYS 113           HZ3      LYS 113  16.796  -2.656  -2.656
  860   2HZ   LYS 113           HZ2      LYS 113  18.345  -2.797  -2.797
  861   3HZ   LYS 113           HZ1      LYS 113  17.174  -3.996  -3.996
  862    H    LYS 114           HN       LYS 114  12.583  -0.418  -0.418
  863    HA   LYS 114           HA       LYS 114  14.768  -0.234  -0.234
  864   1HB   LYS 114           HB2      LYS 114  12.826  -1.750  -1.750
  865   2HB   LYS 114           HB1      LYS 114  11.773  -0.366  -0.366
  866   1HG   LYS 114           HG2      LYS 114  12.322  -1.314  -1.314
  867   2HG   LYS 114           HG1      LYS 114  13.226   0.193   0.193
  868   1HD   LYS 114           HD2      LYS 114  15.084  -1.004  -1.004
  869   2HD   LYS 114           HD1      LYS 114  14.900  -1.728  -1.728
  870   1HE   LYS 114           HE2      LYS 114  13.195  -2.901  -2.901
  871   2HE   LYS 114           HE1      LYS 114  14.937  -3.212  -3.212
  872   1HZ   LYS 114           HZ1      LYS 114  13.334  -3.574  -3.574
  873   2HZ   LYS 114           HZ3      LYS 114  13.814  -4.835  -4.835
  874   3HZ   LYS 114           HZ2      LYS 114  14.984  -3.929  -3.929
  875    H    ARG 115           HN       ARG 115  12.415   2.149   2.149
  876    HA   ARG 115           HA       ARG 115  12.844   3.854   3.854
  877   1HB   ARG 115           HB2      ARG 115  10.809   3.453   3.453
  878   2HB   ARG 115           HB1      ARG 115  11.535   4.935   4.935
  879   1HG   ARG 115           HG2      ARG 115  10.307   6.007   6.007
  880   2HG   ARG 115           HG1      ARG 115  11.487   5.387   5.387
  881   1HD   ARG 115           HD2      ARG 115   9.000   3.853   3.853
  882   2HD   ARG 115           HD1      ARG 115   9.105   4.852   4.852
  883    HE   ARG 115           HE       ARG 115  11.198   2.783   2.783
  884   1HH1  ARG 115          HH11      ARG 115  10.230   4.497   4.497
  885   2HH1  ARG 115          HH12      ARG 115   9.610   3.215   3.215
  886   1HH2  ARG 115          HH21      ARG 115   9.621   0.882   0.882
  887   2HH2  ARG 115          HH22      ARG 115   9.266   1.168   1.168
  888    H    THR 116           HN       THR 116  14.023   3.577   3.577
  889    HA   THR 116           HA       THR 116  15.473   6.175   6.175
  890    HB   THR 116           HB       THR 116  15.821   5.811   5.811
  891    HG1  THR 116           HG1      THR 116  14.632   4.026   4.026
  892   1HG2  THR 116          HG21      THR 116  13.355   6.261   6.261
  893   2HG2  THR 116          HG23      THR 116  13.012   5.345   5.345
  894   3HG2  THR 116          HG22      THR 116  13.860   6.888   6.888
  895    H    GLY 117           HN       GLY 117  15.978   2.693   2.693
  896   1HA   GLY 117           HA1      GLY 117  18.827   2.843   2.843
  897   2HA   GLY 117           HA2      GLY 117  17.949   1.411   1.411
  898    HA   PRO 118           HA       PRO 118  20.476   3.013   3.013
  899   1HB   PRO 118           HB2      PRO 118  21.658   0.619   0.619
  900   2HB   PRO 118           HB1      PRO 118  22.338   1.765   1.765
  901   1HG   PRO 118           HG2      PRO 118  20.770  -0.727  -0.727
  902   2HG   PRO 118           HG1      PRO 118  22.143  -0.072  -0.072
  903   1HD   PRO 118           HD2      PRO 118  19.548   0.134   0.134
  904   2HD   PRO 118           HD1      PRO 118  20.821   1.290   1.290
  905    H    ALA 119           HN       ALA 119  18.785   3.237   3.237
  906    HA   ALA 119           HA       ALA 119  17.999   0.819   0.819
  907   1HB   ALA 119           HB1      ALA 119  16.451   1.969   1.969
  908   2HB   ALA 119           HB3      ALA 119  15.615   2.291   2.291
  909   3HB   ALA 119           HB2      ALA 119  16.008   0.633   0.633
  910    H    ALA 120           HN       ALA 120  16.379   1.611   1.611
  911    HA   ALA 120           HA       ALA 120  17.681   3.815   3.815
  912   1HB   ALA 120           HB2      ALA 120  16.253   1.517   1.517
  913   2HB   ALA 120           HB1      ALA 120  15.130   2.811   2.811
  914   3HB   ALA 120           HB3      ALA 120  16.734   2.762   2.762

  Start of MODEL    7
    1   1H    ASP   1           HT3      ASP   1 -13.756   5.033   5.033
    2   2H    ASP   1           HT2      ASP   1 -14.779   6.377   6.377
    3   3H    ASP   1           HT1      ASP   1 -15.087   4.936   4.936
    4    HA   ASP   1           HA       ASP   1 -13.285   5.237   5.237
    5   1HB   ASP   1           HB2      ASP   1 -13.676   7.783   7.783
    6   2HB   ASP   1           HB1      ASP   1 -14.878   7.679   7.679
    7    H    ALA   2           HN       ALA   2 -11.245   4.895   4.895
    8    HA   ALA   2           HA       ALA   2  -9.871   7.426   7.426
    9   1HB   ALA   2           HB3      ALA   2 -10.250   4.819   4.819
   10   2HB   ALA   2           HB2      ALA   2  -8.706   5.645   5.645
   11   3HB   ALA   2           HB1      ALA   2 -10.208   6.453   6.453
   12    HA   PRO   3           HA       PRO   3  -6.793   5.963   5.963
   13   1HB   PRO   3           HB1      PRO   3  -4.623   7.346   7.346
   14   2HB   PRO   3           HB2      PRO   3  -5.930   8.108   8.108
   15   1HG   PRO   3           HG2      PRO   3  -5.418   8.111   8.111
   16   2HG   PRO   3           HG1      PRO   3  -6.031   9.406   9.406
   17   1HD   PRO   3           HD1      PRO   3  -7.614   7.875   7.875
   18   2HD   PRO   3           HD2      PRO   3  -8.189   8.681   8.681
   19    H    GLU   4           HN       GLU   4  -5.837   3.965   3.965
   20    HA   GLU   4           HA       GLU   4  -4.126   3.322   3.322
   21   1HB   GLU   4           HB1      GLU   4  -6.742   2.422   2.422
   22   2HB   GLU   4           HB2      GLU   4  -5.739   1.076   1.076
   23   1HG   GLU   4           HG2      GLU   4  -5.231   2.494   2.494
   24   2HG   GLU   4           HG1      GLU   4  -6.342   1.129   1.129
   25    H    GLU   5           HN       GLU   5  -2.893   1.198   1.198
   26    HA   GLU   5           HA       GLU   5  -2.184   1.102   1.102
   27   1HB   GLU   5           HB2      GLU   5   0.103   0.493   0.493
   28   2HB   GLU   5           HB1      GLU   5  -0.424   2.117   2.117
   29   1HG   GLU   5           HG2      GLU   5  -1.298   0.166   0.166
   30   2HG   GLU   5           HG1      GLU   5   0.453   0.152   0.152
   31    H    GLU   6           HN       GLU   6  -0.874  -1.053  -1.053
   32   1HB   GLU   6           HB2      GLU   6  -2.234  -2.456  -2.456
   33   2HB   GLU   6           HB1      GLU   6  -2.032  -4.186  -4.186
   34   1HG   GLU   6           HG2      GLU   6  -4.427  -2.585  -2.585
   35   2HG   GLU   6           HG1      GLU   6  -4.257  -4.338  -4.338
   36    HE1  GLU   6           HA       GLU   6  -2.260  -3.312  -3.312
   37    H    ASP   7           HN       ASP   7  -0.135  -3.506  -3.506
   38    HA   ASP   7           HA       ASP   7   1.988  -4.508  -4.508
   39   1HB   ASP   7           HB1      ASP   7   2.271  -6.367  -6.367
   40   2HB   ASP   7           HB2      ASP   7   0.594  -5.949  -5.949
   41    H    HIS   8           HN       HIS   8   3.034  -2.428  -2.428
   42    HA   HIS   8           HA       HIS   8   4.635  -1.187  -1.187
   43   1HB   HIS   8           HB2      HIS   8   5.208  -3.930  -3.930
   44   2HB   HIS   8           HB1      HIS   8   5.416  -3.347  -3.347
   45    HD1  HIS   8           HD1      HIS   8   7.909  -4.161  -4.161
   46    HD2  HIS   8           HD2      HIS   8   6.413  -0.271  -0.271
   47    HE1  HIS   8           HE1      HIS   8   9.836  -2.642  -2.642
   48    H    VAL   9           HN       VAL   9   1.796  -1.865  -1.865
   49    HA   VAL   9           HA       VAL   9   2.434  -0.661  -0.661
   50    HB   VAL   9           HB       VAL   9   0.566  -2.986  -2.986
   51   1HG1  VAL   9          HG13      VAL   9   1.066  -1.277  -1.277
   52   2HG1  VAL   9          HG12      VAL   9   0.756  -2.996  -2.996
   53   3HG1  VAL   9          HG11      VAL   9  -0.442  -1.992  -1.992
   54   1HG2  VAL   9          HG23      VAL   9   3.391  -2.820  -2.820
   55   2HG2  VAL   9          HG22      VAL   9   2.432  -4.235  -4.235
   56   3HG2  VAL   9          HG21      VAL   9   2.503  -3.691  -3.691
   57    H    LEU  10           HN       LEU  10   0.329   0.304   0.304
   58    HA   LEU  10           HA       LEU  10  -1.316   1.381   1.381
   59   1HB   LEU  10           HB2      LEU  10   0.123   2.522   2.522
   60   2HB   LEU  10           HB1      LEU  10  -1.574   2.965   2.965
   61    HG   LEU  10           HG       LEU  10  -0.586   3.134   3.134
   62   1HD1  LEU  10          HD13      LEU  10   1.463   3.667   3.667
   63   2HD1  LEU  10          HD12      LEU  10   0.610   5.190   5.190
   64   3HD1  LEU  10          HD11      LEU  10   1.105   4.725   4.725
   65   1HD2  LEU  10          HD21      LEU  10  -2.435   4.393   4.393
   66   2HD2  LEU  10          HD23      LEU  10  -2.235   4.667   4.667
   67   3HD2  LEU  10          HD22      LEU  10  -1.333   5.645   5.645
   68    H    VAL  11           HN       VAL  11  -3.348   2.423   2.423
   69    HA   VAL  11           HA       VAL  11  -4.679   0.648   0.648
   70    HB   VAL  11           HB       VAL  11  -5.032  -0.446  -0.446
   71   1HG1  VAL  11          HG23      VAL  11  -4.592   1.551   1.551
   72   2HG1  VAL  11          HG22      VAL  11  -6.136   2.236   2.236
   73   3HG1  VAL  11          HG21      VAL  11  -6.101   0.760   0.760
   74   1HG2  VAL  11          HG13      VAL  11  -6.936  -0.258  -0.258
   75   2HG2  VAL  11          HG12      VAL  11  -7.443  -0.500  -0.500
   76   3HG2  VAL  11          HG11      VAL  11  -7.535   1.105   1.105
   77    H    LEU  12           HN       LEU  12  -6.210   1.882   1.882
   78    HA   LEU  12           HA       LEU  12  -6.526   4.716   4.716
   79   1HB   LEU  12           HB1      LEU  12  -6.708   3.429   3.429
   80   2HB   LEU  12           HB2      LEU  12  -6.864   5.155   5.155
   81    HG   LEU  12           HG       LEU  12  -4.431   3.454   3.454
   82   1HD1  LEU  12          HD22      LEU  12  -5.268   5.078   5.078
   83   2HD1  LEU  12          HD21      LEU  12  -3.650   5.444   5.444
   84   3HD1  LEU  12          HD23      LEU  12  -4.056   3.802   3.802
   85   1HD2  LEU  12          HD11      LEU  12  -5.028   6.402   6.402
   86   2HD2  LEU  12          HD13      LEU  12  -4.656   5.221   5.221
   87   3HD2  LEU  12          HD12      LEU  12  -3.409   5.707   5.707
   88    H    ARG  13           HN       ARG  13  -8.598   5.734   5.734
   89    HA   ARG  13           HA       ARG  13 -10.915   3.863   3.863
   90   1HB   ARG  13           HB1      ARG  13 -10.020   5.128   5.128
   91   2HB   ARG  13           HB2      ARG  13 -11.283   6.214   6.214
   92   1HG   ARG  13           HG2      ARG  13 -12.950   4.603   4.603
   93   2HG   ARG  13           HG1      ARG  13 -11.814   3.262   3.262
   94   1HD   ARG  13           HD1      ARG  13 -12.251   3.193   3.193
   95   2HD   ARG  13           HD2      ARG  13 -10.850   4.281   4.281
   96    HE   ARG  13           HE       ARG  13 -13.668   5.310   5.310
   97   1HH1  ARG  13          HH21      ARG  13 -11.241   4.827   4.827
   98   2HH1  ARG  13          HH22      ARG  13 -11.062   6.485   6.485
   99   1HH2  ARG  13          HH11      ARG  13 -13.083   7.696   7.696
  100   2HH2  ARG  13          HH12      ARG  13 -12.105   8.109   8.109
  101    H    LYS  14           HN       LYS  14 -12.771   6.090   6.090
  102    HA   LYS  14           HA       LYS  14 -12.530   7.287   7.287
  103   1HB   LYS  14           HB2      LYS  14 -14.587   6.321   6.321
  104   2HB   LYS  14           HB1      LYS  14 -14.922   8.008   8.008
  105   1HG   LYS  14           HG2      LYS  14 -14.051   6.690   6.690
  106   2HG   LYS  14           HG1      LYS  14 -15.329   5.725   5.725
  107   1HD   LYS  14           HD1      LYS  14 -16.545   7.250   7.250
  108   2HD   LYS  14           HD2      LYS  14 -16.547   8.026   8.026
  109   1HE   LYS  14           HE2      LYS  14 -15.835   9.816   9.816
  110   2HE   LYS  14           HE1      LYS  14 -14.260   9.078   9.078
  111   1HZ   LYS  14           HZ1      LYS  14 -14.550   7.694   7.694
  112   2HZ   LYS  14           HZ3      LYS  14 -15.966   8.550   8.550
  113   3HZ   LYS  14           HZ2      LYS  14 -14.468   9.352   9.352
  114    H    SER  15           HN       SER  15 -11.975   8.159   8.159
  115    HA   SER  15           HA       SER  15 -12.177  11.069  11.069
  116   1HB   SER  15           HB1      SER  15 -13.412   9.601   9.601
  117   2HB   SER  15           HB2      SER  15 -12.038  10.316  10.316
  118    HG   SER  15           HG       SER  15 -13.871  11.739  11.739
  119    H    ASN  16           HN       ASN  16  -9.870   8.706   8.706
  120    HA   ASN  16           HA       ASN  16  -7.843  10.712  10.712
  121   1HB   ASN  16           HB1      ASN  16  -6.842   9.008   9.008
  122   2HB   ASN  16           HB2      ASN  16  -8.530   9.265   9.265
  123   1HD2  ASN  16          HD22      ASN  16  -7.688   5.555   5.555
  124   2HD2  ASN  16          HD21      ASN  16  -6.852   6.789   6.789
  125    H    PHE  17           HN       PHE  17  -8.773   8.920   8.920
  126    HA   PHE  17           HA       PHE  17  -6.479   7.348   7.348
  127   1HB   PHE  17           HB1      PHE  17  -8.771   7.229   7.229
  128   2HB   PHE  17           HB2      PHE  17  -8.498   8.798   8.798
  129    HD1  PHE  17           HD2      PHE  17  -6.466   9.045   9.045
  130    HD2  PHE  17           HD1      PHE  17  -8.021   5.247   5.247
  131    HE1  PHE  17           HE2      PHE  17  -5.303   7.939   7.939
  132    HE2  PHE  17           HE1      PHE  17  -6.857   4.140   4.140
  133    HZ   PHE  17           HZ       PHE  17  -5.498   5.486   5.486
  134    H    ALA  18           HN       ALA  18  -7.496  10.507  10.507
  135    HA   ALA  18           HA       ALA  18  -5.078  11.107  11.107
  136   1HB   ALA  18           HB2      ALA  18  -7.525  12.212  12.212
  137   2HB   ALA  18           HB1      ALA  18  -6.638  13.298  13.298
  138   3HB   ALA  18           HB3      ALA  18  -6.143  13.120  13.120
  139    H    GLU  19           HN       GLU  19  -5.980  11.510  11.510
  140    HA   GLU  19           HA       GLU  19  -3.973  13.303  13.303
  141   1HB   GLU  19           HB1      GLU  19  -5.975  12.308  12.308
  142   2HB   GLU  19           HB2      GLU  19  -5.010  10.854  10.854
  143   1HG   GLU  19           HG2      GLU  19  -3.502  11.922  11.922
  144   2HG   GLU  19           HG1      GLU  19  -3.865  13.520  13.520
  145    H    ALA  20           HN       ALA  20  -3.891   9.725   9.725
  146    HA   ALA  20           HA       ALA  20  -1.277   9.302   9.302
  147   1HB   ALA  20           HB3      ALA  20  -3.375   7.892   7.892
  148   2HB   ALA  20           HB2      ALA  20  -1.862   7.499   7.499
  149   3HB   ALA  20           HB1      ALA  20  -2.029   7.216   7.216
  150    H    LEU  21           HN       LEU  21  -2.346   9.973   9.973
  151    HA   LEU  21           HA       LEU  21   0.181   9.726   9.726
  152   1HB   LEU  21           HB1      LEU  21  -2.183  11.543  11.543
  153   2HB   LEU  21           HB2      LEU  21  -0.924  11.124  11.124
  154    HG   LEU  21           HG       LEU  21  -2.895   9.222   9.222
  155   1HD1  LEU  21          HD13      LEU  21  -3.117  10.809  10.809
  156   2HD1  LEU  21          HD12      LEU  21  -2.637   9.233   9.233
  157   3HD1  LEU  21          HD11      LEU  21  -4.085   9.381   9.381
  158   1HD2  LEU  21          HD21      LEU  21  -0.400   8.749   8.749
  159   2HD2  LEU  21          HD23      LEU  21  -0.950   7.922   7.922
  160   3HD2  LEU  21          HD22      LEU  21  -1.745   7.610   7.610
  161    H    ALA  22           HN       ALA  22  -1.405  12.553  12.553
  162    HA   ALA  22           HA       ALA  22   0.714  14.419  14.419
  163   1HB   ALA  22           HB2      ALA  22  -1.811  14.680  14.680
  164   2HB   ALA  22           HB1      ALA  22  -1.163  14.643  14.643
  165   3HB   ALA  22           HB3      ALA  22  -0.641  15.895  15.895
  166    H    ALA  23           HN       ALA  23   0.381  11.923  11.923
  167    HA   ALA  23           HA       ALA  23   1.881  12.971  12.971
  168   1HB   ALA  23           HB3      ALA  23   0.591  10.825  10.825
  169   2HB   ALA  23           HB2      ALA  23   1.857  10.150  10.150
  170   3HB   ALA  23           HB1      ALA  23   2.220  10.607  10.607
  171    H    HIS  24           HN       HIS  24   3.164  10.708  10.708
  172    HA   HIS  24           HA       HIS  24   5.785  12.164  12.164
  173   1HB   HIS  24           HB1      HIS  24   5.057   9.489   9.489
  174   2HB   HIS  24           HB2      HIS  24   5.997   9.422   9.422
  175    HD1  HIS  24           HD1      HIS  24   8.033  11.619  11.619
  176    HD2  HIS  24           HD2      HIS  24   6.936   8.998   8.998
  177    HE1  HIS  24           HE1      HIS  24   9.938  11.625  11.625
  178    H    LYS  25           HN       LYS  25   7.041  10.869  10.869
  179    HA   LYS  25           HA       LYS  25   5.687  12.119  12.119
  180   1HB   LYS  25           HB2      LYS  25   8.305  11.600  11.600
  181   2HB   LYS  25           HB1      LYS  25   8.062  10.506  10.506
  182   1HG   LYS  25           HG2      LYS  25   7.410  12.333  12.333
  183   2HG   LYS  25           HG1      LYS  25   7.377  13.457  13.457
  184   1HD   LYS  25           HD2      LYS  25   9.455  13.842  13.842
  185   2HD   LYS  25           HD1      LYS  25   9.852  12.920  12.920
  186   1HE   LYS  25           HE2      LYS  25   9.424  10.866  10.866
  187   2HE   LYS  25           HE1      LYS  25   9.990  12.092  12.092
  188   1HZ   LYS  25           HZ1      LYS  25  11.809  12.576  12.576
  189   2HZ   LYS  25           HZ3      LYS  25  11.339  11.201  11.201
  190   3HZ   LYS  25           HZ2      LYS  25  11.909  11.041  11.041
  191    H    TYR  26           HN       TYR  26   7.160   8.870   8.870
  192    HA   TYR  26           HA       TYR  26   5.379   7.771   7.771
  193   1HB   TYR  26           HB1      TYR  26   7.757   6.963   6.963
  194   2HB   TYR  26           HB2      TYR  26   6.741   5.663   5.663
  195    HD1  TYR  26           HD1      TYR  26   7.313   8.980   8.980
  196    HD2  TYR  26           HD2      TYR  26   8.140   4.765   4.765
  197    HE1  TYR  26           HE1      TYR  26   8.336   9.233   9.233
  198    HE2  TYR  26           HE2      TYR  26   9.165   5.021   5.021
  199    HH   TYR  26           HH       TYR  26  10.303   7.551   7.551
  200    H    LEU  27           HN       LEU  27   3.431   6.847   6.847
  201    HA   LEU  27           HA       LEU  27   2.950   5.717   5.717
  202   1HB   LEU  27           HB2      LEU  27   1.906   8.082   8.082
  203   2HB   LEU  27           HB1      LEU  27   0.616   6.899   6.899
  204    HG   LEU  27           HG       LEU  27   0.474   8.079   8.079
  205   1HD1  LEU  27          HD22      LEU  27   0.234   5.365   5.365
  206   2HD1  LEU  27          HD21      LEU  27   1.242   5.413   5.413
  207   3HD1  LEU  27          HD23      LEU  27  -0.340   6.192   6.192
  208   1HD2  LEU  27          HD13      LEU  27   3.105   8.166   8.166
  209   2HD2  LEU  27          HD12      LEU  27   2.193   8.026   8.026
  210   3HD2  LEU  27          HD11      LEU  27   2.942   6.597   6.597
  211    H    LEU  28           HN       LEU  28   2.343   3.581   3.581
  212    HA   LEU  28           HA       LEU  28   1.234   2.741   2.741
  213   1HB   LEU  28           HB2      LEU  28   3.381   1.795   1.795
  214   2HB   LEU  28           HB1      LEU  28   2.301   0.984   0.984
  215    HG   LEU  28           HG       LEU  28   2.947  -0.445  -0.445
  216   1HD1  LEU  28          HD21      LEU  28   0.554  -0.275  -0.275
  217   2HD1  LEU  28          HD23      LEU  28   0.043   0.002   0.002
  218   3HD1  LEU  28          HD22      LEU  28   0.909  -1.474  -1.474
  219   1HD2  LEU  28          HD11      LEU  28   2.487   1.880   1.880
  220   2HD2  LEU  28          HD13      LEU  28   2.737   0.270   0.270
  221   3HD2  LEU  28          HD12      LEU  28   1.101   0.863   0.863
  222    H    VAL  29           HN       VAL  29  -0.807   1.903   1.903
  223    HA   VAL  29           HA       VAL  29  -2.254   1.313   1.313
  224    HB   VAL  29           HB       VAL  29  -3.292   2.751   2.751
  225   1HG1  VAL  29          HG22      VAL  29  -4.498   1.750   1.750
  226   2HG1  VAL  29          HG21      VAL  29  -5.024   3.342   3.342
  227   3HG1  VAL  29          HG23      VAL  29  -5.227   1.935   1.935
  228   1HG2  VAL  29          HG11      VAL  29  -2.282   3.738   3.738
  229   2HG2  VAL  29          HG13      VAL  29  -1.771   4.246   4.246
  230   3HG2  VAL  29          HG12      VAL  29  -3.363   4.704   4.704
  231    H    GLU  30           HN       GLU  30  -3.665  -0.477  -0.477
  232    HA   GLU  30           HA       GLU  30  -3.812  -1.892  -1.892
  233   1HB   GLU  30           HB1      GLU  30  -2.132  -2.935  -2.935
  234   2HB   GLU  30           HB2      GLU  30  -3.244  -2.965  -2.965
  235   1HG   GLU  30           HG2      GLU  30  -4.606  -4.626  -4.626
  236   2HG   GLU  30           HG1      GLU  30  -3.912  -4.355  -4.355
  237    H    PHE  31           HN       PHE  31  -5.894  -2.433  -2.433
  238    HA   PHE  31           HA       PHE  31  -8.039  -2.069  -2.069
  239   1HB   PHE  31           HB2      PHE  31  -7.964  -2.297  -2.297
  240   2HB   PHE  31           HB1      PHE  31  -9.444  -2.090  -2.090
  241    HD1  PHE  31           HD1      PHE  31  -9.327  -0.098  -0.098
  242    HD2  PHE  31           HD2      PHE  31  -6.930  -0.387  -0.387
  243    HE1  PHE  31           HE1      PHE  31  -8.944   2.352   2.352
  244    HE2  PHE  31           HE2      PHE  31  -6.547   2.061   2.061
  245    HZ   PHE  31           HZ       PHE  31  -7.554   3.432   3.432
  246    H    TYR  32           HN       TYR  32  -8.498  -4.000  -4.000
  247    HA   TYR  32           HA       TYR  32  -8.954  -6.400  -6.400
  248   1HB   TYR  32           HB2      TYR  32  -7.581  -7.754  -7.754
  249   2HB   TYR  32           HB1      TYR  32  -6.641  -6.305  -6.305
  250    HD1  TYR  32           HD2      TYR  32  -6.581  -4.439  -4.439
  251    HD2  TYR  32           HD1      TYR  32  -8.233  -8.317  -8.317
  252    HE1  TYR  32           HE2      TYR  32  -6.423  -3.989  -3.989
  253    HE2  TYR  32           HE1      TYR  32  -8.077  -7.867  -7.867
  254    HH   TYR  32           HH       TYR  32  -7.815  -4.991  -4.991
  255    H    ALA  33           HN       ALA  33 -10.160  -8.148  -8.148
  256    HA   ALA  33           HA       ALA  33 -12.072  -6.786  -6.786
  257   1HB   ALA  33           HB2      ALA  33 -13.007  -7.436  -7.436
  258   2HB   ALA  33           HB1      ALA  33 -12.463  -9.094  -9.094
  259   3HB   ALA  33           HB3      ALA  33 -13.718  -8.407  -8.407
  260    HA   PRO  34           HA       PRO  34 -10.954  -9.773  -9.773
  261   1HB   PRO  34           HB1      PRO  34 -13.347 -10.225 -10.225
  262   2HB   PRO  34           HB2      PRO  34 -12.402  -8.740  -8.740
  263   1HG   PRO  34           HG2      PRO  34 -14.778  -9.245  -9.245
  264   2HG   PRO  34           HG1      PRO  34 -14.388  -7.828  -7.828
  265   1HD   PRO  34           HD2      PRO  34 -14.019  -7.891  -7.891
  266   2HD   PRO  34           HD1      PRO  34 -13.003  -6.928  -6.928
  267    H    TRP  35           HN       TRP  35 -13.371 -10.471 -10.471
  268    HA   TRP  35           HA       TRP  35 -13.312 -13.379 -13.379
  269   1HB   TRP  35           HB1      TRP  35 -15.268 -13.461 -13.461
  270   2HB   TRP  35           HB2      TRP  35 -15.487 -12.222 -12.222
  271    HD1  TRP  35           HD1      TRP  35 -15.532  -9.715  -9.715
  272    HE1  TRP  35           HE1      TRP  35 -15.685  -8.573  -8.573
  273    HE3  TRP  35           HE3      TRP  35 -14.530 -13.703 -13.703
  274    HZ2  TRP  35           HZ2      TRP  35 -15.419  -9.257  -9.257
  275    HZ3  TRP  35           HZ3      TRP  35 -14.487 -13.429 -13.429
  276    HH2  TRP  35           HH2      TRP  35 -14.931 -11.214 -11.214
  277    H    CYS  36           HN       CYS  36 -11.739 -11.154 -11.154
  278    HA   CYS  36           HA       CYS  36 -11.538 -12.372 -12.372
  279   1HB   CYS  36           HB1      CYS  36 -10.472 -10.244 -10.244
  280   2HB   CYS  36           HB2      CYS  36  -9.134 -11.325 -11.325
  281    H    GLY  37           HN       GLY  37 -11.282 -14.579 -14.579
  282   1HA   GLY  37           HA1      GLY  37  -9.763 -16.219 -16.219
  283   2HA   GLY  37           HA2      GLY  37 -10.449 -16.758 -16.758
  284    H    HIS  38           HN       HIS  38  -7.739 -17.204 -17.204
  285    HA   HIS  38           HA       HIS  38  -5.499 -17.288 -17.288
  286   1HB   HIS  38           HB2      HIS  38  -7.225 -16.990 -16.990
  287   2HB   HIS  38           HB1      HIS  38  -5.473 -16.982 -16.982
  288    HD1  HIS  38           HD1      HIS  38  -4.278 -19.100 -19.100
  289    HD2  HIS  38           HD2      HIS  38  -8.240 -19.555 -19.555
  290    HE1  HIS  38           HE1      HIS  38  -4.765 -21.586 -21.586
  291    H    CYS  39           HN       CYS  39  -6.895 -14.575 -14.575
  292    HA   CYS  39           HA       CYS  39  -5.085 -12.773 -12.773
  293   1HB   CYS  39           HB2      CYS  39  -7.469 -12.316 -12.316
  294   2HB   CYS  39           HB1      CYS  39  -6.592 -11.031 -11.031
  295    H    LYS  40           HN       LYS  40  -5.626 -14.185 -14.185
  296    HA   LYS  40           HA       LYS  40  -4.000 -12.281 -12.281
  297   1HB   LYS  40           HB2      LYS  40  -4.346 -13.946 -13.946
  298   2HB   LYS  40           HB1      LYS  40  -5.861 -13.628 -13.628
  299   1HG   LYS  40           HG1      LYS  40  -4.729 -15.683 -15.683
  300   2HG   LYS  40           HG2      LYS  40  -4.323 -16.111 -16.111
  301   1HD   LYS  40           HD2      LYS  40  -7.096 -15.156 -15.156
  302   2HD   LYS  40           HD1      LYS  40  -6.707 -16.710 -16.710
  303   1HE   LYS  40           HE2      LYS  40  -5.868 -16.210 -16.210
  304   2HE   LYS  40           HE1      LYS  40  -7.552 -16.653 -16.653
  305   1HZ   LYS  40           HZ1      LYS  40  -6.685 -18.495 -18.495
  306   2HZ   LYS  40           HZ3      LYS  40  -5.115 -18.124 -18.124
  307   3HZ   LYS  40           HZ2      LYS  40  -6.279 -18.655 -18.655
  308    H    ALA  41           HN       ALA  41  -3.325 -14.934 -14.934
  309    HA   ALA  41           HA       ALA  41  -1.093 -16.223 -16.223
  310   1HB   ALA  41           HB1      ALA  41  -2.391 -16.019 -16.019
  311   2HB   ALA  41           HB3      ALA  41  -0.821 -15.314 -15.314
  312   3HB   ALA  41           HB2      ALA  41  -0.918 -16.953 -16.953
  313    H    LEU  42           HN       LEU  42  -1.311 -12.875 -12.875
  314    HA   LEU  42           HA       LEU  42   1.644 -12.571 -12.571
  315   1HB   LEU  42           HB1      LEU  42   0.495 -12.062 -12.062
  316   2HB   LEU  42           HB2      LEU  42  -0.220 -10.671 -10.671
  317    HG   LEU  42           HG       LEU  42   2.299 -10.255 -10.255
  318   1HD1  LEU  42          HD13      LEU  42   3.069 -12.373 -12.373
  319   2HD1  LEU  42          HD12      LEU  42   2.606 -11.691 -11.691
  320   3HD1  LEU  42          HD11      LEU  42   3.892 -10.938 -10.938
  321   1HD2  LEU  42          HD22      LEU  42   0.942  -9.599  -9.599
  322   2HD2  LEU  42          HD21      LEU  42   1.212  -8.556  -8.556
  323   3HD2  LEU  42          HD23      LEU  42   2.561  -8.989  -8.989
  324    H    ALA  43           HN       ALA  43  -1.161 -12.175 -12.175
  325    HA   ALA  43           HA       ALA  43  -1.193  -9.523  -9.523
  326   1HB   ALA  43           HB3      ALA  43  -2.060 -12.220 -12.220
  327   2HB   ALA  43           HB2      ALA  43  -1.942 -11.016 -11.016
  328   3HB   ALA  43           HB1      ALA  43  -2.985 -10.722 -10.722
  329    HA   PRO  44           HA       PRO  44   1.978 -10.799 -10.799
  330   1HB   PRO  44           HB1      PRO  44   3.286 -13.185 -13.185
  331   2HB   PRO  44           HB2      PRO  44   1.741 -13.013 -13.013
  332   1HG   PRO  44           HG2      PRO  44   2.321 -14.161 -14.161
  333   2HG   PRO  44           HG1      PRO  44   1.011 -14.528 -14.528
  334   1HD   PRO  44           HD2      PRO  44   0.838 -12.941 -12.941
  335   2HD   PRO  44           HD1      PRO  44  -0.379 -13.086 -13.086
  336    H    GLU  45           HN       GLU  45   2.454 -11.288 -11.288
  337    HA   GLU  45           HA       GLU  45   5.395 -10.918 -10.918
  338   1HB   GLU  45           HB2      GLU  45   3.280 -11.475 -11.475
  339   2HB   GLU  45           HB1      GLU  45   4.839 -10.842 -10.842
  340   1HG   GLU  45           HG2      GLU  45   5.831 -12.841 -12.841
  341   2HG   GLU  45           HG1      GLU  45   5.203 -12.958 -12.958
  342    H    TYR  46           HN       TYR  46   2.455  -9.213  -9.213
  343    HA   TYR  46           HA       TYR  46   3.766  -6.789  -6.789
  344   1HB   TYR  46           HB2      TYR  46   1.641  -7.042  -7.042
  345   2HB   TYR  46           HB1      TYR  46   1.045  -7.881  -7.881
  346    HD1  TYR  46           HD1      TYR  46   0.201  -6.665  -6.665
  347    HD2  TYR  46           HD2      TYR  46   1.551  -4.585  -4.585
  348    HE1  TYR  46           HE1      TYR  46  -0.929  -4.607  -4.607
  349    HE2  TYR  46           HE2      TYR  46   0.425  -2.523  -2.523
  350    HH   TYR  46           HH       TYR  46  -0.308  -1.578  -1.578
  351    H    ALA  47           HN       ALA  47   2.849  -8.119  -8.119
  352    HA   ALA  47           HA       ALA  47   2.914  -5.551  -5.551
  353   1HB   ALA  47           HB1      ALA  47   2.833  -8.443  -8.443
  354   2HB   ALA  47           HB3      ALA  47   2.571  -7.047  -7.047
  355   3HB   ALA  47           HB2      ALA  47   1.433  -7.402  -7.402
  356    H    LYS  48           HN       LYS  48   5.131  -8.148  -8.148
  357    HA   LYS  48           HA       LYS  48   7.122  -7.374  -7.374
  358   1HB   LYS  48           HB2      LYS  48   6.580  -9.503  -9.503
  359   2HB   LYS  48           HB1      LYS  48   8.271  -9.005  -9.005
  360   1HG   LYS  48           HG2      LYS  48   8.727  -9.751  -9.751
  361   2HG   LYS  48           HG1      LYS  48   7.142  -9.285  -9.285
  362   1HD   LYS  48           HD2      LYS  48   6.404 -11.262 -11.262
  363   2HD   LYS  48           HD1      LYS  48   8.012 -11.836 -11.836
  364   1HE   LYS  48           HE2      LYS  48   7.425 -11.655 -11.655
  365   2HE   LYS  48           HE1      LYS  48   5.798 -11.102 -11.102
  366   1HZ   LYS  48           HZ3      LYS  48   5.551 -13.131 -13.131
  367   2HZ   LYS  48           HZ2      LYS  48   7.060 -13.678 -13.678
  368   3HZ   LYS  48           HZ1      LYS  48   5.772 -13.482 -13.482
  369    H    ALA  49           HN       ALA  49   6.330  -6.492  -6.492
  370    HA   ALA  49           HA       ALA  49   8.859  -5.635  -5.635
  371   1HB   ALA  49           HB3      ALA  49   5.976  -5.127  -5.127
  372   2HB   ALA  49           HB2      ALA  49   7.088  -3.912  -3.912
  373   3HB   ALA  49           HB1      ALA  49   7.245  -5.595  -5.595
  374    H    ALA  50           HN       ALA  50   6.506  -4.024  -4.024
  375    HA   ALA  50           HA       ALA  50   7.654  -1.406  -1.406
  376   1HB   ALA  50           HB1      ALA  50   5.743  -3.019  -3.019
  377   2HB   ALA  50           HB3      ALA  50   6.559  -1.798  -1.798
  378   3HB   ALA  50           HB2      ALA  50   5.655  -1.320  -1.320
  379    H    GLY  51           HN       GLY  51   8.747  -4.372  -4.372
  380   1HA   GLY  51           HA2      GLY  51  10.449  -3.028  -3.028
  381   2HA   GLY  51           HA1      GLY  51  10.370  -4.766  -4.766
  382    H    LYS  52           HN       LYS  52  10.646  -4.098  -4.098
  383    HA   LYS  52           HA       LYS  52  13.537  -4.393  -4.393
  384   1HB   LYS  52           HB2      LYS  52  11.381  -3.934  -3.934
  385   2HB   LYS  52           HB1      LYS  52  13.045  -4.389  -4.389
  386   1HG   LYS  52           HG1      LYS  52  11.423  -6.039  -6.039
  387   2HG   LYS  52           HG2      LYS  52  11.237  -6.268  -6.268
  388   1HD   LYS  52           HD2      LYS  52  13.382  -7.089  -7.089
  389   2HD   LYS  52           HD1      LYS  52  14.012  -6.173  -6.173
  390   1HE   LYS  52           HE2      LYS  52  11.964  -8.238  -8.238
  391   2HE   LYS  52           HE1      LYS  52  13.561  -8.833  -8.833
  392   1HZ   LYS  52           HZ1      LYS  52  13.072  -6.751  -6.751
  393   2HZ   LYS  52           HZ3      LYS  52  13.480  -8.364  -8.364
  394   3HZ   LYS  52           HZ2      LYS  52  14.590  -7.352  -7.352
  395    H    LEU  53           HN       LEU  53  11.246  -1.730  -1.730
  396    HA   LEU  53           HA       LEU  53  13.196   0.066   0.066
  397   1HB   LEU  53           HB2      LEU  53  11.391   1.681   1.681
  398   2HB   LEU  53           HB1      LEU  53  10.684   0.139   0.139
  399    HG   LEU  53           HG       LEU  53  10.535  -0.160  -0.160
  400   1HD1  LEU  53          HD12      LEU  53  11.586   2.358   2.358
  401   2HD1  LEU  53          HD11      LEU  53   9.862   2.722   2.722
  402   3HD1  LEU  53          HD13      LEU  53  10.596   1.755   1.755
  403   1HD2  LEU  53          HD23      LEU  53   8.703  -0.029  -0.029
  404   2HD2  LEU  53          HD22      LEU  53   8.240   0.407   0.407
  405   3HD2  LEU  53          HD21      LEU  53   8.557   1.669   1.669
  406    H    LYS  54           HN       LYS  54  12.415  -0.879  -0.879
  407    HA   LYS  54           HA       LYS  54  13.242   1.439   1.439
  408   1HB   LYS  54           HB2      LYS  54  12.021  -0.573  -0.573
  409   2HB   LYS  54           HB1      LYS  54  13.516  -1.497  -1.497
  410   1HG   LYS  54           HG2      LYS  54  14.039   0.956   0.956
  411   2HG   LYS  54           HG1      LYS  54  12.693   0.111   0.111
  412   1HD   LYS  54           HD2      LYS  54  14.018  -1.934  -1.934
  413   2HD   LYS  54           HD1      LYS  54  15.354  -1.165  -1.165
  414   1HE   LYS  54           HE2      LYS  54  15.915   0.196   0.196
  415   2HE   LYS  54           HE1      LYS  54  14.285   0.104   0.104
  416   1HZ   LYS  54           HZ1      LYS  54  14.700  -2.349  -2.349
  417   2HZ   LYS  54           HZ3      LYS  54  16.330  -2.041  -2.041
  418   3HZ   LYS  54           HZ2      LYS  54  15.620  -1.363  -1.363
  419    H    ALA  55           HN       ALA  55  15.125  -1.557  -1.557
  420    HA   ALA  55           HA       ALA  55  17.621  -0.646  -0.646
  421   1HB   ALA  55           HB1      ALA  55  16.864  -2.964  -2.964
  422   2HB   ALA  55           HB3      ALA  55  17.152  -2.435  -2.435
  423   3HB   ALA  55           HB2      ALA  55  18.488  -2.509  -2.509
  424    H    GLU  56           HN       GLU  56  15.982   0.032   0.032
  425    HA   GLU  56           HA       GLU  56  18.395   1.305   1.305
  426   1HB   GLU  56           HB1      GLU  56  15.553   0.841   0.841
  427   2HB   GLU  56           HB2      GLU  56  16.810   1.590   1.590
  428   1HG   GLU  56           HG2      GLU  56  17.509  -0.995  -0.995
  429   2HG   GLU  56           HG1      GLU  56  16.334  -1.068  -1.068
  430    H    GLY  57           HN       GLY  57  15.538   2.176   2.176
  431   1HA   GLY  57           HA1      GLY  57  14.763   4.264   4.264
  432   2HA   GLY  57           HA2      GLY  57  16.356   4.897   4.897
  433    H    SER  58           HN       SER  58  13.847   3.420   3.420
  434    HA   SER  58           HA       SER  58  14.193   5.545   5.545
  435   1HB   SER  58           HB2      SER  58  12.266   3.210   3.210
  436   2HB   SER  58           HB1      SER  58  12.583   4.145   4.145
  437    HG   SER  58           HG       SER  58  14.824   3.498   3.498
  438    H    GLU  59           HN       GLU  59  11.885   6.236   6.236
  439    HA   GLU  59           HA       GLU  59  10.373   7.458   7.458
  440   1HB   GLU  59           HB2      GLU  59   9.809   9.155   9.155
  441   2HB   GLU  59           HB1      GLU  59  11.545   9.013   9.013
  442   1HG   GLU  59           HG2      GLU  59  11.905   8.144   8.144
  443   2HG   GLU  59           HG1      GLU  59  10.420   7.190   7.190
  444    H    ILE  60           HN       ILE  60  10.212   5.097   5.097
  445    HA   ILE  60           HA       ILE  60   7.510   5.319   5.319
  446    HB   ILE  60           HB       ILE  60   7.928   2.964   2.964
  447   1HG1  ILE  60          HG11      ILE  60  10.436   2.289   2.289
  448   2HG1  ILE  60          HG12      ILE  60  10.053   3.271   3.271
  449   1HG2  ILE  60          HG21      ILE  60   9.162   5.155   5.155
  450   2HG2  ILE  60          HG23      ILE  60  10.575   4.238   4.238
  451   3HG2  ILE  60          HG22      ILE  60   9.455   3.541   3.541
  452   1HD1  ILE  60          HD13      ILE  60   7.783   1.786   1.786
  453   2HD1  ILE  60          HD12      ILE  60   8.978   0.642   0.642
  454   3HD1  ILE  60          HD11      ILE  60   9.165   1.336   1.336
  455    H    ARG  61           HN       ARG  61   5.601   4.468   4.468
  456    HA   ARG  61           HA       ARG  61   5.805   3.126   3.126
  457   1HB   ARG  61           HB2      ARG  61   4.900   5.676   5.676
  458   2HB   ARG  61           HB1      ARG  61   3.406   4.740   4.740
  459   1HG   ARG  61           HG1      ARG  61   4.255   3.716   3.716
  460   2HG   ARG  61           HG2      ARG  61   5.431   5.030   5.030
  461   1HD   ARG  61           HD2      ARG  61   3.234   6.497   6.497
  462   2HD   ARG  61           HD1      ARG  61   2.467   5.140   5.140
  463    HE   ARG  61           HE       ARG  61   4.079   5.530   5.530
  464   1HH1  ARG  61          HH21      ARG  61   4.812   7.657   7.657
  465   2HH1  ARG  61          HH22      ARG  61   4.947   9.062   9.062
  466   1HH2  ARG  61          HH11      ARG  61   3.778   7.469   7.469
  467   2HH2  ARG  61          HH12      ARG  61   4.362   8.956   8.956
  468    H    LEU  62           HN       LEU  62   3.819   1.815   1.815
  469    HA   LEU  62           HA       LEU  62   2.612   0.681   0.681
  470   1HB   LEU  62           HB2      LEU  62   3.558  -0.496  -0.496
  471   2HB   LEU  62           HB1      LEU  62   2.408  -1.369  -1.369
  472    HG   LEU  62           HG       LEU  62   4.926  -0.248  -0.248
  473   1HD1  LEU  62          HD23      LEU  62   5.583  -1.588  -1.588
  474   2HD1  LEU  62          HD22      LEU  62   4.669  -2.952  -2.952
  475   3HD1  LEU  62          HD21      LEU  62   6.082  -2.347  -2.347
  476   1HD2  LEU  62          HD11      LEU  62   2.959  -1.230  -1.230
  477   2HD2  LEU  62          HD13      LEU  62   4.546  -1.922  -1.922
  478   3HD2  LEU  62          HD12      LEU  62   3.407  -2.789  -2.789
  479    H    ALA  63           HN       ALA  63   0.347   0.234   0.234
  480    HA   ALA  63           HA       ALA  63  -1.158   0.807   0.807
  481   1HB   ALA  63           HB3      ALA  63  -0.550   2.901   2.901
  482   2HB   ALA  63           HB2      ALA  63  -1.981   2.338   2.338
  483   3HB   ALA  63           HB1      ALA  63  -2.099   2.791   2.791
  484    H    LYS  64           HN       LYS  64  -3.383   0.074   0.074
  485    HA   LYS  64           HA       LYS  64  -4.033  -1.489  -1.489
  486   1HB   LYS  64           HB1      LYS  64  -3.257  -2.472  -2.472
  487   2HB   LYS  64           HB2      LYS  64  -5.003  -2.707  -2.707
  488   1HG   LYS  64           HG2      LYS  64  -4.784  -3.874  -3.874
  489   2HG   LYS  64           HG1      LYS  64  -3.043  -3.587  -3.587
  490   1HD   LYS  64           HD2      LYS  64  -2.873  -4.874  -4.874
  491   2HD   LYS  64           HD1      LYS  64  -4.595  -5.236  -5.236
  492   1HE   LYS  64           HE1      LYS  64  -3.836  -6.035  -6.035
  493   2HE   LYS  64           HE2      LYS  64  -2.327  -6.337  -6.337
  494   1HZ   LYS  64           HZ3      LYS  64  -5.021  -7.191  -7.191
  495   2HZ   LYS  64           HZ2      LYS  64  -3.924  -8.212  -8.212
  496   3HZ   LYS  64           HZ1      LYS  64  -3.535  -7.568  -7.568
  497    H    VAL  65           HN       VAL  65  -6.396  -1.953  -1.953
  498    HA   VAL  65           HA       VAL  65  -8.129  -0.139  -0.139
  499    HB   VAL  65           HB       VAL  65  -7.939  -0.322  -0.322
  500   1HG1  VAL  65          HG11      VAL  65 -10.284  -0.086  -0.086
  501   2HG1  VAL  65          HG13      VAL  65  -9.778   1.401   1.401
  502   3HG1  VAL  65          HG12      VAL  65  -9.744   1.295   1.295
  503   1HG2  VAL  65          HG21      VAL  65  -6.915   1.527   1.527
  504   2HG2  VAL  65          HG23      VAL  65  -6.313   1.207   1.207
  505   3HG2  VAL  65          HG22      VAL  65  -7.675   2.302   2.302
  506    H    ASP  66           HN       ASP  66 -10.269  -0.909  -0.909
  507    HA   ASP  66           HA       ASP  66 -10.669  -3.754  -3.754
  508   1HB   ASP  66           HB1      ASP  66 -11.978  -1.750  -1.750
  509   2HB   ASP  66           HB2      ASP  66 -12.740  -3.302  -3.302
  510    H    ALA  67           HN       ALA  67 -11.144  -3.565  -3.565
  511    HA   ALA  67           HA       ALA  67 -12.744  -1.744  -1.744
  512   1HB   ALA  67           HB2      ALA  67 -11.504  -4.135  -4.135
  513   2HB   ALA  67           HB1      ALA  67 -13.201  -4.582  -4.582
  514   3HB   ALA  67           HB3      ALA  67 -12.519  -3.286  -3.286
  515    H    THR  68           HN       THR  68 -13.797  -4.252  -4.252
  516    HA   THR  68           HA       THR  68 -16.621  -4.091  -4.091
  517    HB   THR  68           HB       THR  68 -16.702  -5.431  -5.431
  518    HG1  THR  68           HG1      THR  68 -14.753  -5.054  -5.054
  519   1HG2  THR  68          HG21      THR  68 -15.443  -6.260  -6.260
  520   2HG2  THR  68          HG23      THR  68 -15.614  -7.417  -7.417
  521   3HG2  THR  68          HG22      THR  68 -17.044  -6.651  -6.651
  522    H    GLU  69           HN       GLU  69 -14.489  -2.417  -2.417
  523    HA   GLU  69           HA       GLU  69 -16.817  -1.181  -1.181
  524   1HB   GLU  69           HB2      GLU  69 -14.687  -2.392  -2.392
  525   2HB   GLU  69           HB1      GLU  69 -13.948  -0.812  -0.812
  526   1HG   GLU  69           HG2      GLU  69 -15.787   0.249   0.249
  527   2HG   GLU  69           HG1      GLU  69 -16.502  -1.340  -1.340
  528    H    GLU  70           HN       GLU  70 -13.842  -0.441  -0.441
  529    HA   GLU  70           HA       GLU  70 -14.801   2.395   2.395
  530   1HB   GLU  70           HB2      GLU  70 -11.975   1.281   1.281
  531   2HB   GLU  70           HB1      GLU  70 -12.422   2.987   2.987
  532   1HG   GLU  70           HG1      GLU  70 -12.327   2.960   2.960
  533   2HG   GLU  70           HG2      GLU  70 -13.775   1.956   1.956
  534    H    SER  71           HN       SER  71 -15.857   0.699   0.699
  535    HA   SER  71           HA       SER  71 -14.181   0.265   0.265
  536   1HB   SER  71           HB2      SER  71 -16.577  -0.645  -0.645
  537   2HB   SER  71           HB1      SER  71 -17.116   0.442   0.442
  538    HG   SER  71           HG       SER  71 -16.244  -1.987  -1.987
  539    H    ASP  72           HN       ASP  72 -15.828   3.023   3.023
  540    HA   ASP  72           HA       ASP  72 -16.608   4.388   4.388
  541   1HB   ASP  72           HB1      ASP  72 -15.820   5.086   5.086
  542   2HB   ASP  72           HB2      ASP  72 -15.990   6.397   6.397
  543    H    LEU  73           HN       LEU  73 -13.457   4.056   4.056
  544    HA   LEU  73           HA       LEU  73 -12.177   6.049   6.049
  545   1HB   LEU  73           HB2      LEU  73 -11.034   3.971   3.971
  546   2HB   LEU  73           HB1      LEU  73 -10.184   5.383   5.383
  547    HG   LEU  73           HG       LEU  73 -12.678   6.225   6.225
  548   1HD1  LEU  73          HD12      LEU  73 -12.342   4.043   4.043
  549   2HD1  LEU  73          HD11      LEU  73 -10.872   4.756   4.756
  550   3HD1  LEU  73          HD13      LEU  73 -12.438   5.494   5.494
  551   1HD2  LEU  73          HD21      LEU  73  -9.861   6.899   6.899
  552   2HD2  LEU  73          HD23      LEU  73 -11.249   7.935   7.935
  553   3HD2  LEU  73          HD22      LEU  73 -10.513   7.009   7.009
  554    H    ALA  74           HN       ALA  74 -12.392   2.520   2.520
  555    HA   ALA  74           HA       ALA  74 -10.439   1.941   1.941
  556   1HB   ALA  74           HB2      ALA  74 -12.437   0.590   0.590
  557   2HB   ALA  74           HB1      ALA  74 -12.260  -0.158  -0.158
  558   3HB   ALA  74           HB3      ALA  74 -10.857   0.017   0.017
  559    H    GLN  75           HN       GLN  75 -13.823   2.847   2.847
  560    HA   GLN  75           HA       GLN  75 -14.375   1.936   1.936
  561   1HB   GLN  75           HB2      GLN  75 -15.908   2.563   2.563
  562   2HB   GLN  75           HB1      GLN  75 -15.774   4.200   4.200
  563   1HG   GLN  75           HG1      GLN  75 -16.734   1.778   1.778
  564   2HG   GLN  75           HG2      GLN  75 -17.759   3.066   3.066
  565   1HE2  GLN  75          HE22      GLN  75 -16.441   3.614   3.614
  566   2HE2  GLN  75          HE21      GLN  75 -16.847   2.143   2.143
  567    H    GLN  76           HN       GLN  76 -13.200   4.938   4.938
  568    HA   GLN  76           HA       GLN  76 -13.434   6.605   6.605
  569   1HB   GLN  76           HB1      GLN  76 -12.159   6.616   6.616
  570   2HB   GLN  76           HB2      GLN  76 -11.388   7.659   7.659
  571   1HG   GLN  76           HG1      GLN  76 -13.589   8.692   8.692
  572   2HG   GLN  76           HG2      GLN  76 -14.330   7.676   7.676
  573   1HE2  GLN  76          HE22      GLN  76 -12.777   9.482   9.482
  574   2HE2  GLN  76          HE21      GLN  76 -13.292   7.926   7.926
  575    H    TYR  77           HN       TYR  77 -11.063   4.211   4.211
  576    HA   TYR  77           HA       TYR  77  -9.103   5.151   5.151
  577   1HB   TYR  77           HB2      TYR  77  -9.196   3.034   3.034
  578   2HB   TYR  77           HB1      TYR  77  -7.855   3.139   3.139
  579    HD1  TYR  77           HD2      TYR  77  -7.182   5.825   5.825
  580    HD2  TYR  77           HD1      TYR  77  -8.727   4.006   4.006
  581    HE1  TYR  77           HE2      TYR  77  -6.172   7.637   7.637
  582    HE2  TYR  77           HE1      TYR  77  -7.716   5.817   5.817
  583    HH   TYR  77           HH       TYR  77  -5.443   8.036   8.036
  584    H    GLY  78           HN       GLY  78 -11.411   2.556   2.556
  585   1HA   GLY  78           HA1      GLY  78 -12.343   1.680   1.680
  586   2HA   GLY  78           HA2      GLY  78 -10.654   1.331   1.331
  587    H    VAL  79           HN       VAL  79  -9.520  -0.009  -0.009
  588    HA   VAL  79           HA       VAL  79  -9.394  -2.144  -2.144
  589    HB   VAL  79           HB       VAL  79 -11.875  -0.887  -0.887
  590   1HG1  VAL  79          HG13      VAL  79 -11.623  -3.343  -3.343
  591   2HG1  VAL  79          HG12      VAL  79 -10.043  -3.004  -3.004
  592   3HG1  VAL  79          HG11      VAL  79 -11.502  -2.345  -2.345
  593   1HG2  VAL  79          HG22      VAL  79  -8.950  -0.828  -0.828
  594   2HG2  VAL  79          HG21      VAL  79  -9.871   0.524   0.524
  595   3HG2  VAL  79          HG23      VAL  79 -10.271  -0.123  -0.123
  596    H    ARG  80           HN       ARG  80  -9.837  -3.583  -3.583
  597    HA   ARG  80           HA       ARG  80 -12.602  -4.191  -4.191
  598   1HB   ARG  80           HB2      ARG  80  -9.826  -4.874  -4.874
  599   2HB   ARG  80           HB1      ARG  80 -11.039  -6.109  -6.109
  600   1HG   ARG  80           HG2      ARG  80 -11.269  -3.195  -3.195
  601   2HG   ARG  80           HG1      ARG  80 -10.763  -4.499  -4.499
  602   1HD   ARG  80           HD2      ARG  80 -12.924  -5.041  -5.041
  603   2HD   ARG  80           HD1      ARG  80 -13.217  -5.246  -5.246
  604    HE   ARG  80           HE       ARG  80 -13.039  -2.446  -2.446
  605   1HH1  ARG  80          HH11      ARG  80 -14.678  -3.584  -3.584
  606   2HH1  ARG  80          HH12      ARG  80 -16.289  -3.394  -3.394
  607   1HH2  ARG  80          HH21      ARG  80 -15.277  -2.895  -2.895
  608   2HH2  ARG  80          HH22      ARG  80 -16.628  -3.003  -3.003
  609    H    GLY  81           HN       GLY  81 -10.109  -5.602  -5.602
  610   1HA   GLY  81           HA2      GLY  81 -12.042  -7.184  -7.184
  611   2HA   GLY  81           HA1      GLY  81 -11.091  -8.202  -8.202
  612    H    TYR  82           HN       TYR  82 -11.122  -8.005  -8.005
  613    HA   TYR  82           HA       TYR  82  -8.555  -6.827  -6.827
  614   1HB   TYR  82           HB1      TYR  82 -10.170  -8.845  -8.845
  615   2HB   TYR  82           HB2      TYR  82  -9.177  -7.529  -7.529
  616    HD1  TYR  82           HD1      TYR  82 -10.044  -5.240  -5.240
  617    HD2  TYR  82           HD2      TYR  82 -12.366  -8.411  -8.411
  618    HE1  TYR  82           HE1      TYR  82 -12.026  -3.752  -3.752
  619    HE2  TYR  82           HE2      TYR  82 -14.348  -6.922  -6.922
  620    HH   TYR  82           HH       TYR  82 -14.861  -4.470  -4.470
  621    HA   PRO  83           HA       PRO  83  -7.256  -7.288  -7.288
  622   1HB   PRO  83           HB1      PRO  83  -4.558  -7.584  -7.584
  623   2HB   PRO  83           HB2      PRO  83  -5.731  -8.547  -8.547
  624   1HG   PRO  83           HG1      PRO  83  -4.018  -9.314  -9.314
  625   2HG   PRO  83           HG2      PRO  83  -4.710 -10.314 -10.314
  626   1HD   PRO  83           HD1      PRO  83  -5.639 -10.051 -10.051
  627   2HD   PRO  83           HD2      PRO  83  -6.431 -10.912 -10.912
  628    H    THR  84           HN       THR  84  -6.835  -5.186  -5.186
  629    HA   THR  84           HA       THR  84  -5.296  -4.854  -4.854
  630    HB   THR  84           HB       THR  84  -7.216  -2.855  -2.855
  631    HG1  THR  84           HG1      THR  84  -8.632  -4.413  -4.413
  632   1HG2  THR  84          HG23      THR  84  -5.696  -2.595  -2.595
  633   2HG2  THR  84          HG22      THR  84  -6.913  -3.617  -3.617
  634   3HG2  THR  84          HG21      THR  84  -7.378  -2.066  -2.066
  635    H    ILE  85           HN       ILE  85  -3.480  -3.548  -3.548
  636    HA   ILE  85           HA       ILE  85  -2.987  -2.005  -2.005
  637    HB   ILE  85           HB       ILE  85  -1.056  -3.510  -3.510
  638   1HG1  ILE  85          HG12      ILE  85  -0.841  -4.780  -4.780
  639   2HG1  ILE  85          HG11      ILE  85  -2.469  -4.153  -4.153
  640   1HG2  ILE  85          HG23      ILE  85  -0.455  -1.337  -1.337
  641   2HG2  ILE  85          HG22      ILE  85  -0.294  -2.603  -2.603
  642   3HG2  ILE  85          HG21      ILE  85   0.670  -2.671  -2.671
  643   1HD1  ILE  85          HD12      ILE  85  -2.011  -5.331  -5.331
  644   2HD1  ILE  85          HD11      ILE  85  -1.904  -6.480  -6.480
  645   3HD1  ILE  85          HD13      ILE  85  -3.375  -5.535  -5.535
  646    H    LYS  86           HN       LYS  86  -2.057   0.056   0.056
  647    HA   LYS  86           HA       LYS  86  -1.410   0.976   0.976
  648   1HB   LYS  86           HB2      LYS  86  -3.877   1.363   1.363
  649   2HB   LYS  86           HB1      LYS  86  -3.030   2.831   2.831
  650   1HG   LYS  86           HG1      LYS  86  -3.412   3.657   3.657
  651   2HG   LYS  86           HG2      LYS  86  -2.327   2.422   2.422
  652   1HD   LYS  86           HD2      LYS  86  -4.165   0.875   0.875
  653   2HD   LYS  86           HD1      LYS  86  -5.279   1.966   1.966
  654   1HE   LYS  86           HE1      LYS  86  -5.654   3.131   3.131
  655   2HE   LYS  86           HE2      LYS  86  -3.914   3.307   3.307
  656   1HZ   LYS  86           HZ3      LYS  86  -5.413   0.778   0.778
  657   2HZ   LYS  86           HZ2      LYS  86  -5.110   1.904   1.904
  658   3HZ   LYS  86           HZ1      LYS  86  -3.818   1.119   1.119
  659    H    PHE  87           HN       PHE  87   0.076   2.736   2.736
  660    HA   PHE  87           HA       PHE  87   1.333   3.296   3.296
  661   1HB   PHE  87           HB1      PHE  87   2.803   2.216   2.216
  662   2HB   PHE  87           HB2      PHE  87   2.313   3.301   3.301
  663    HD1  PHE  87           HD1      PHE  87   3.281   3.983   3.983
  664    HD2  PHE  87           HD2      PHE  87   4.190   4.577   4.577
  665    HE1  PHE  87           HE1      PHE  87   5.111   5.537   5.537
  666    HE2  PHE  87           HE2      PHE  87   6.019   6.132   6.132
  667    HZ   PHE  87           HZ       PHE  87   6.461   6.636   6.636
  668    H    PHE  88           HN       PHE  88   0.904   5.314   5.314
  669    HA   PHE  88           HA       PHE  88   0.244   7.509   7.509
  670   1HB   PHE  88           HB1      PHE  88  -0.634   6.833   6.833
  671   2HB   PHE  88           HB2      PHE  88  -0.974   8.388   8.388
  672    HD1  PHE  88           HD2      PHE  88  -1.951   8.193   8.193
  673    HD2  PHE  88           HD1      PHE  88  -2.243   5.160   5.160
  674    HE1  PHE  88           HE2      PHE  88  -3.896   7.204   7.204
  675    HE2  PHE  88           HE1      PHE  88  -4.189   4.172   4.172
  676    HZ   PHE  88           HZ       PHE  88  -5.005   5.177   5.177
  677    H    ARG  89           HN       ARG  89   1.705   9.199   9.199
  678    HA   ARG  89           HA       ARG  89   3.555   9.427   9.427
  679   1HB   ARG  89           HB1      ARG  89   4.646   8.621   8.621
  680   2HB   ARG  89           HB2      ARG  89   3.979   9.968   9.968
  681   1HG   ARG  89           HG2      ARG  89   5.280  11.099  11.099
  682   2HG   ARG  89           HG1      ARG  89   6.382   9.890   9.890
  683   1HD   ARG  89           HD2      ARG  89   4.991  11.906  11.906
  684   2HD   ARG  89           HD1      ARG  89   6.560  12.243  12.243
  685    HE   ARG  89           HE       ARG  89   6.284   9.683   9.683
  686   1HH1  ARG  89          HH21      ARG  89   8.642  11.642  11.642
  687   2HH1  ARG  89          HH22      ARG  89   9.338  11.988  11.988
  688   1HH2  ARG  89          HH11      ARG  89   6.677  10.669  10.669
  689   2HH2  ARG  89          HH12      ARG  89   8.226  11.437  11.437
  690    H    ASN  90           HN       ASN  90   3.505  11.363  11.363
  691    HA   ASN  90           HA       ASN  90   2.959  13.601  13.601
  692   1HB   ASN  90           HB1      ASN  90   4.648  13.897  13.897
  693   2HB   ASN  90           HB2      ASN  90   3.404  13.750  13.750
  694   1HD2  ASN  90          HD22      ASN  90   2.515  17.147  17.147
  695   2HD2  ASN  90          HD21      ASN  90   2.455  15.693  15.693
  696    H    GLY  91           HN       GLY  91   0.702  12.963  12.963
  697   1HA   GLY  91           HA1      GLY  91  -1.633  13.083  13.083
  698   2HA   GLY  91           HA2      GLY  91  -1.262  14.615  14.615
  699    H    ASP  92           HN       ASP  92  -1.384  11.123  11.123
  700    HA   ASP  92           HA       ASP  92  -1.909   9.990   9.990
  701   1HB   ASP  92           HB2      ASP  92  -4.048  11.013  11.013
  702   2HB   ASP  92           HB1      ASP  92  -3.709  12.424  12.424
  703    H    THR  93           HN       THR  93   0.221  10.460  10.460
  704    HA   THR  93           HA       THR  93   0.963  12.730  12.730
  705    HB   THR  93           HB       THR  93   2.402  10.800  10.800
  706    HG1  THR  93           HG1      THR  93   3.465  11.096  11.096
  707   1HG2  THR  93          HG23      THR  93   0.645   9.065   9.065
  708   2HG2  THR  93          HG22      THR  93   0.662   9.330   9.330
  709   3HG2  THR  93          HG21      THR  93   2.090   8.681   8.681
  710    H    ALA  94           HN       ALA  94   0.528  13.461  13.461
  711    HA   ALA  94           HA       ALA  94  -2.007  12.896  12.896
  712   1HB   ALA  94           HB2      ALA  94  -0.493  14.930  14.930
  713   2HB   ALA  94           HB1      ALA  94   0.461  13.982  13.982
  714   3HB   ALA  94           HB3      ALA  94  -1.223  14.363  14.363
  715    H    SER  95           HN       SER  95   1.229  11.622  11.622
  716    HA   SER  95           HA       SER  95   0.010   9.733   9.733
  717   1HB   SER  95           HB2      SER  95   1.843  11.420  11.420
  718   2HB   SER  95           HB1      SER  95   2.929  10.447  10.447
  719    HG   SER  95           HG       SER  95   2.516  10.011  10.011
  720    HA   PRO  96           HA       PRO  96   1.319   7.279   7.279
  721   1HB   PRO  96           HB2      PRO  96  -0.977   5.804   5.804
  722   2HB   PRO  96           HB1      PRO  96  -0.762   7.377   7.377
  723   1HG   PRO  96           HG2      PRO  96  -2.203   6.690   6.690
  724   2HG   PRO  96           HG1      PRO  96  -2.636   7.851   7.851
  725   1HD   PRO  96           HD2      PRO  96  -1.524   8.565   8.565
  726   2HD   PRO  96           HD1      PRO  96  -1.340   9.507   9.507
  727    H    LYS  97           HN       LYS  97   1.501   4.834   4.834
  728    HA   LYS  97           HA       LYS  97   1.370   3.583   3.583
  729   1HB   LYS  97           HB1      LYS  97   3.623   4.096   4.096
  730   2HB   LYS  97           HB2      LYS  97   3.591   2.485   2.485
  731   1HG   LYS  97           HG2      LYS  97   3.182   4.918   4.918
  732   2HG   LYS  97           HG1      LYS  97   4.811   4.403   4.403
  733   1HD   LYS  97           HD2      LYS  97   4.112   2.067   2.067
  734   2HD   LYS  97           HD1      LYS  97   2.726   2.871   2.871
  735   1HE   LYS  97           HE2      LYS  97   5.337   4.169   4.169
  736   2HE   LYS  97           HE1      LYS  97   5.120   2.571   2.571
  737   1HZ   LYS  97           HZ2      LYS  97   3.037   4.679   4.679
  738   2HZ   LYS  97           HZ1      LYS  97   4.199   4.495   4.495
  739   3HZ   LYS  97           HZ3      LYS  97   3.102   3.242   3.242
  740    H    GLU  98           HN       GLU  98   0.461   1.549   1.549
  741    HA   GLU  98           HA       GLU  98  -0.606   0.488   0.488
  742   1HB   GLU  98           HB2      GLU  98  -1.399  -1.307  -1.307
  743   2HB   GLU  98           HB1      GLU  98  -1.757   0.309   0.309
  744   1HG   GLU  98           HG1      GLU  98  -0.596  -0.144  -0.144
  745   2HG   GLU  98           HG2      GLU  98   0.857  -0.401  -0.401
  746    H    TYR  99           HN       TYR  99   0.281  -1.100  -1.100
  747    HA   TYR  99           HA       TYR  99   3.045  -1.930  -1.930
  748   1HB   TYR  99           HB2      TYR  99   2.261  -1.433  -1.433
  749   2HB   TYR  99           HB1      TYR  99   0.898  -2.538  -2.538
  750    HD1  TYR  99           HD2      TYR  99   4.607  -2.358  -2.358
  751    HD2  TYR  99           HD1      TYR  99   1.133  -4.873  -4.873
  752    HE1  TYR  99           HE2      TYR  99   6.003  -4.200  -4.200
  753    HE2  TYR  99           HE1      TYR  99   2.531  -6.717  -6.717
  754    HH   TYR  99           HH       TYR  99   6.053  -6.394  -6.394
  755    H    THR 100           HN       THR 100   3.740  -3.908  -3.908
  756    HA   THR 100           HA       THR 100   1.627  -5.849  -5.849
  757    HB   THR 100           HB       THR 100   3.224  -6.475  -6.475
  758    HG1  THR 100           HG1      THR 100   4.983  -4.684  -4.684
  759   1HG2  THR 100          HG23      THR 100   2.086  -3.939  -3.939
  760   2HG2  THR 100          HG22      THR 100   3.756  -3.620  -3.620
  761   3HG2  THR 100          HG21      THR 100   2.743  -4.656  -4.656
  762    H    ALA 101           HN       ALA 101   3.491  -7.996  -7.996
  763    HA   ALA 101           HA       ALA 101   4.360  -9.830  -9.830
  764   1HB   ALA 101           HB2      ALA 101   6.035  -7.846  -7.846
  765   2HB   ALA 101           HB1      ALA 101   5.445  -7.701  -7.701
  766   3HB   ALA 101           HB3      ALA 101   6.222  -9.193  -9.193
  767    H    GLY 102           HN       GLY 102   4.892  -9.700  -9.700
  768   1HA   GLY 102           HA2      GLY 102   3.369  -9.177  -9.177
  769   2HA   GLY 102           HA1      GLY 102   2.053  -9.766  -9.766
  770    H    ARG 103           HN       ARG 103   5.286 -10.916 -10.916
  771    HA   ARG 103           HA       ARG 103   4.107 -13.649 -13.649
  772   1HB   ARG 103           HB2      ARG 103   6.717 -12.485 -12.485
  773   2HB   ARG 103           HB1      ARG 103   6.790 -13.996 -13.996
  774   1HG   ARG 103           HG2      ARG 103   5.351 -15.100 -15.100
  775   2HG   ARG 103           HG1      ARG 103   5.044 -13.579 -13.579
  776   1HD   ARG 103           HD2      ARG 103   7.048 -13.643 -13.643
  777   2HD   ARG 103           HD1      ARG 103   7.908 -14.324 -14.324
  778    HE   ARG 103           HE       ARG 103   7.243 -16.512 -16.512
  779   1HH1  ARG 103          HH21      ARG 103   4.388 -15.607 -15.607
  780   2HH1  ARG 103          HH22      ARG 103   4.344 -15.962 -15.962
  781   1HH2  ARG 103          HH11      ARG 103   7.784 -16.286 -16.286
  782   2HH2  ARG 103          HH12      ARG 103   6.268 -16.347 -16.347
  783    H    GLU 104           HN       GLU 104   6.431 -11.428 -11.428
  784    HA   GLU 104           HA       GLU 104   5.477 -12.256 -12.256
  785   1HB   GLU 104           HB1      GLU 104   8.313 -12.663 -12.663
  786   2HB   GLU 104           HB2      GLU 104   7.797 -12.897 -12.897
  787   1HG   GLU 104           HG2      GLU 104   6.065 -14.544 -14.544
  788   2HG   GLU 104           HG1      GLU 104   6.957 -14.466 -14.466
  789    H    ALA 105           HN       ALA 105   6.904 -10.985 -10.985
  790    HA   ALA 105           HA       ALA 105   6.580  -8.232  -8.232
  791   1HB   ALA 105           HB3      ALA 105   7.327  -9.798  -9.798
  792   2HB   ALA 105           HB2      ALA 105   8.960  -9.405  -9.405
  793   3HB   ALA 105           HB1      ALA 105   7.875  -8.122  -8.122
  794    H    ASP 106           HN       ASP 106   9.173 -10.216 -10.216
  795    HA   ASP 106           HA       ASP 106  11.071  -8.134  -8.134
  796   1HB   ASP 106           HB2      ASP 106  10.464 -10.899 -10.899
  797   2HB   ASP 106           HB1      ASP 106  11.681  -9.930  -9.930
  798    H    ASP 107           HN       ASP 107   8.651  -9.690  -9.690
  799    HA   ASP 107           HA       ASP 107   9.034  -8.137  -8.137
  800   1HB   ASP 107           HB2      ASP 107   6.949  -9.804  -9.804
  801   2HB   ASP 107           HB1      ASP 107   6.308  -8.599  -8.599
  802    H    ILE 108           HN       ILE 108   7.583  -7.262  -7.262
  803    HA   ILE 108           HA       ILE 108   6.099  -4.952  -4.952
  804    HB   ILE 108           HB       ILE 108   7.140  -5.672  -5.672
  805   1HG1  ILE 108          HG12      ILE 108   5.811  -7.499  -7.499
  806   2HG1  ILE 108          HG11      ILE 108   4.958  -6.764  -6.764
  807   1HG2  ILE 108          HG21      ILE 108   5.153  -3.691  -3.691
  808   2HG2  ILE 108          HG23      ILE 108   4.886  -4.405  -4.405
  809   3HG2  ILE 108          HG22      ILE 108   6.358  -3.489  -3.489
  810   1HD1  ILE 108          HD13      ILE 108   3.759  -5.290  -5.290
  811   2HD1  ILE 108          HD12      ILE 108   4.488  -6.254  -6.254
  812   3HD1  ILE 108          HD11      ILE 108   3.375  -7.005  -7.005
  813    H    VAL 109           HN       VAL 109   9.098  -5.276  -5.276
  814    HA   VAL 109           HA       VAL 109   9.812  -2.484  -2.484
  815    HB   VAL 109           HB       VAL 109  11.481  -4.942  -4.942
  816   1HG1  VAL 109          HG22      VAL 109  12.586  -2.644  -2.644
  817   2HG1  VAL 109          HG21      VAL 109  11.887  -2.142  -2.142
  818   3HG1  VAL 109          HG23      VAL 109  13.040  -3.476  -3.476
  819   1HG2  VAL 109          HG11      VAL 109   9.287  -3.686  -3.686
  820   2HG2  VAL 109          HG13      VAL 109  10.201  -5.130  -5.130
  821   3HG2  VAL 109          HG12      VAL 109  10.773  -3.538  -3.538
  822    H    ASN 110           HN       ASN 110  10.826  -5.449  -5.449
  823    HA   ASN 110           HA       ASN 110  12.909  -4.487  -4.487
  824   1HB   ASN 110           HB2      ASN 110  11.702  -6.809  -6.809
  825   2HB   ASN 110           HB1      ASN 110  10.758  -6.270  -6.270
  826   1HD2  ASN 110          HD22      ASN 110  14.097  -8.010  -8.010
  827   2HD2  ASN 110          HD21      ASN 110  13.006  -8.389  -8.389
  828    H    TRP 111           HN       TRP 111   9.433  -4.490  -4.490
  829    HA   TRP 111           HA       TRP 111   9.761  -2.991  -2.991
  830   1HB   TRP 111           HB2      TRP 111   7.808  -4.468  -4.468
  831   2HB   TRP 111           HB1      TRP 111   7.259  -2.897  -2.897
  832    HD1  TRP 111           HD1      TRP 111   7.838  -4.879  -4.879
  833    HE1  TRP 111           HE1      TRP 111   6.674  -3.664  -3.664
  834    HE3  TRP 111           HE3      TRP 111   6.442  -0.564  -0.564
  835    HZ2  TRP 111           HZ2      TRP 111   5.328  -1.190  -1.190
  836    HZ3  TRP 111           HZ3      TRP 111   5.223   1.203   1.203
  837    HH2  TRP 111           HH2      TRP 111   4.665   0.895   0.895
  838    H    LEU 112           HN       LEU 112   9.365  -2.116  -2.116
  839    HA   LEU 112           HA       LEU 112   8.726   0.683   0.683
  840   1HB   LEU 112           HB1      LEU 112   9.366  -1.153  -1.153
  841   2HB   LEU 112           HB2      LEU 112   9.647   0.565   0.565
  842    HG   LEU 112           HG       LEU 112   7.067  -0.286  -0.286
  843   1HD1  LEU 112          HD11      LEU 112   7.983  -1.150  -1.150
  844   2HD1  LEU 112          HD13      LEU 112   6.602  -0.066  -0.066
  845   3HD1  LEU 112          HD12      LEU 112   6.467  -1.521  -1.521
  846   1HD2  LEU 112          HD21      LEU 112   8.250   2.091   2.091
  847   2HD2  LEU 112          HD23      LEU 112   6.714   1.921   1.921
  848   3HD2  LEU 112          HD22      LEU 112   6.785   1.687   1.687
  849    H    LYS 113           HN       LYS 113  11.712  -1.169  -1.169
  850    HA   LYS 113           HA       LYS 113  13.352   1.272   1.272
  851   1HB   LYS 113           HB2      LYS 113  15.161  -0.343  -0.343
  852   2HB   LYS 113           HB1      LYS 113  13.776  -0.823  -0.823
  853   1HG   LYS 113           HG2      LYS 113  13.115  -2.475  -2.475
  854   2HG   LYS 113           HG1      LYS 113  14.392  -1.939  -1.939
  855   1HD   LYS 113           HD2      LYS 113  14.850  -3.090  -3.090
  856   2HD   LYS 113           HD1      LYS 113  15.018  -3.996  -3.996
  857   1HE   LYS 113           HE2      LYS 113  17.179  -3.286  -3.286
  858   2HE   LYS 113           HE1      LYS 113  16.539  -1.678  -1.678
  859   1HZ   LYS 113           HZ2      LYS 113  16.830  -2.774  -2.774
  860   2HZ   LYS 113           HZ1      LYS 113  17.881  -1.644  -1.644
  861   3HZ   LYS 113           HZ3      LYS 113  16.267  -1.223  -1.223
  862    H    LYS 114           HN       LYS 114  12.492  -1.154  -1.154
  863    HA   LYS 114           HA       LYS 114  14.517  -0.717  -0.717
  864   1HB   LYS 114           HB2      LYS 114  11.790  -1.784  -1.784
  865   2HB   LYS 114           HB1      LYS 114  12.166  -1.128  -1.128
  866   1HG   LYS 114           HG2      LYS 114  13.967  -3.066  -3.066
  867   2HG   LYS 114           HG1      LYS 114  12.768  -3.564  -3.564
  868   1HD   LYS 114           HD2      LYS 114  14.118  -2.982  -2.982
  869   2HD   LYS 114           HD1      LYS 114  14.390  -1.382  -1.382
  870   1HE   LYS 114           HE2      LYS 114  16.554  -2.288  -2.288
  871   2HE   LYS 114           HE1      LYS 114  15.947  -2.733  -2.733
  872   1HZ   LYS 114           HZ2      LYS 114  15.051  -4.797  -4.797
  873   2HZ   LYS 114           HZ1      LYS 114  16.006  -4.404  -4.404
  874   3HZ   LYS 114           HZ3      LYS 114  16.742  -4.723  -4.723
  875    H    ARG 115           HN       ARG 115  11.917   1.367   1.367
  876    HA   ARG 115           HA       ARG 115  11.980   3.021   3.021
  877   1HB   ARG 115           HB2      ARG 115  10.578   3.061   3.061
  878   2HB   ARG 115           HB1      ARG 115  10.435   4.415   4.415
  879   1HG   ARG 115           HG2      ARG 115   9.885   2.493   2.493
  880   2HG   ARG 115           HG1      ARG 115   9.435   1.606   1.606
  881   1HD   ARG 115           HD2      ARG 115   7.424   2.661   2.661
  882   2HD   ARG 115           HD1      ARG 115   8.275   4.123   4.123
  883    HE   ARG 115           HE       ARG 115   7.379   3.617   3.617
  884   1HH1  ARG 115          HH21      ARG 115  10.122   3.689   3.689
  885   2HH1  ARG 115          HH22      ARG 115  10.532   5.372   5.372
  886   1HH2  ARG 115          HH11      ARG 115   7.806   6.349   6.349
  887   2HH2  ARG 115          HH12      ARG 115   9.221   6.877   6.877
  888    H    THR 116           HN       THR 116  13.535   2.942   2.942
  889    HA   THR 116           HA       THR 116  14.413   5.762   5.762
  890    HB   THR 116           HB       THR 116  15.644   4.910   4.910
  891    HG1  THR 116           HG1      THR 116  14.856   3.000   3.000
  892   1HG2  THR 116          HG22      THR 116  13.316   6.147   6.147
  893   2HG2  THR 116          HG21      THR 116  12.680   4.612   4.612
  894   3HG2  THR 116          HG23      THR 116  13.798   5.548   5.548
  895    H    GLY 117           HN       GLY 117  15.806   2.490   2.490
  896   1HA   GLY 117           HA2      GLY 117  17.806   1.782   1.782
  897   2HA   GLY 117           HA1      GLY 117  17.882   3.361   3.361
  898    HA   PRO 118           HA       PRO 118  21.043   2.997   2.997
  899   1HB   PRO 118           HB1      PRO 118  23.306   2.996   2.996
  900   2HB   PRO 118           HB2      PRO 118  22.470   1.511   1.511
  901   1HG   PRO 118           HG2      PRO 118  22.388   2.967   2.967
  902   2HG   PRO 118           HG1      PRO 118  22.397   1.225   1.225
  903   1HD   PRO 118           HD2      PRO 118  20.150   2.628   2.628
  904   2HD   PRO 118           HD1      PRO 118  20.135   1.138   1.138
  905    H    ALA 119           HN       ALA 119  20.077   5.243   5.243
  906    HA   ALA 119           HA       ALA 119  22.062   7.254   7.254
  907   1HB   ALA 119           HB2      ALA 119  19.986   6.858   6.858
  908   2HB   ALA 119           HB1      ALA 119  19.099   7.724   7.724
  909   3HB   ALA 119           HB3      ALA 119  20.427   8.516   8.516
  910    H    ALA 120           HN       ALA 120  20.720   9.526   9.526
  911    HA   ALA 120           HA       ALA 120  20.366  10.770  10.770
  912   1HB   ALA 120           HB2      ALA 120  18.719   8.341   8.341
  913   2HB   ALA 120           HB1      ALA 120  18.998   8.984   8.984
  914   3HB   ALA 120           HB3      ALA 120  18.263  10.002  10.002

  Start of MODEL    8
    1   1H    ASP   1           HT3      ASP   1  -7.203  12.722  12.722
    2   2H    ASP   1           HT2      ASP   1  -8.574  13.423  13.423
    3   3H    ASP   1           HT1      ASP   1  -8.745  12.105  12.105
    4    HA   ASP   1           HA       ASP   1  -9.001  11.319  11.319
    5   1HB   ASP   1           HB2      ASP   1  -7.848  13.234  13.234
    6   2HB   ASP   1           HB1      ASP   1  -6.319  12.707  12.707
    7    H    ALA   2           HN       ALA   2  -8.179   9.212   9.212
    8    HA   ALA   2           HA       ALA   2  -5.810   8.215   8.215
    9   1HB   ALA   2           HB1      ALA   2  -8.264   8.029   8.029
   10   2HB   ALA   2           HB3      ALA   2  -8.291   6.569   6.569
   11   3HB   ALA   2           HB2      ALA   2  -7.032   6.786   6.786
   12    HA   PRO   3           HA       PRO   3  -6.070   6.406   6.406
   13   1HB   PRO   3           HB1      PRO   3  -3.385   6.473   6.473
   14   2HB   PRO   3           HB2      PRO   3  -4.450   7.865   7.865
   15   1HG   PRO   3           HG2      PRO   3  -2.544   7.324   7.324
   16   2HG   PRO   3           HG1      PRO   3  -3.005   8.860   8.860
   17   1HD   PRO   3           HD1      PRO   3  -3.941   7.916   7.916
   18   2HD   PRO   3           HD2      PRO   3  -4.717   9.176   9.176
   19    H    GLU   4           HN       GLU   4  -5.725   4.221   4.221
   20   1HB   GLU   4           HB2      GLU   4  -6.914   2.507   2.507
   21   2HB   GLU   4           HB1      GLU   4  -6.161   1.285   1.285
   22   1HG   GLU   4           HG1      GLU   4  -6.971   1.005   1.005
   23   2HG   GLU   4           HG2      GLU   4  -6.087  -0.166  -0.166
   24    HE1  GLU   4           HA       GLU   4  -4.313   2.568   2.568
   25    H    GLU   5           HN       GLU   5  -3.247   0.569   0.569
   26    HA   GLU   5           HA       GLU   5  -2.631   0.501   0.501
   27   1HB   GLU   5           HB2      GLU   5  -0.167   0.979   0.979
   28   2HB   GLU   5           HB1      GLU   5  -1.240   2.366   2.366
   29   1HG   GLU   5           HG2      GLU   5  -1.334   1.959   1.959
   30   2HG   GLU   5           HG1      GLU   5  -0.108   0.710   0.710
   31    H    GLU   6           HN       GLU   6  -0.614  -1.045  -1.045
   32    HA   GLU   6           HA       GLU   6  -1.127  -3.407  -3.407
   33   1HB   GLU   6           HB1      GLU   6  -0.765  -2.881  -2.881
   34   2HB   GLU   6           HB2      GLU   6   0.443  -4.045  -4.045
   35   1HG   GLU   6           HG2      GLU   6  -2.042  -4.777  -4.777
   36   2HG   GLU   6           HG1      GLU   6  -1.133  -5.636  -5.636
   37    H    ASP   7           HN       ASP   7   1.299  -4.765  -4.765
   38    HA   ASP   7           HA       ASP   7   3.087  -4.077  -4.077
   39   1HB   ASP   7           HB2      ASP   7   4.302  -5.024  -5.024
   40   2HB   ASP   7           HB1      ASP   7   2.891  -5.942  -5.942
   41    H    HIS   8           HN       HIS   8   3.570  -3.201  -3.201
   42    HA   HIS   8           HA       HIS   8   4.993  -0.740  -0.740
   43   1HB   HIS   8           HB2      HIS   8   6.170  -2.967  -2.967
   44   2HB   HIS   8           HB1      HIS   8   5.905  -2.003  -2.003
   45    HD1  HIS   8           HD1      HIS   8   8.736  -2.122  -2.122
   46    HD2  HIS   8           HD2      HIS   8   6.458   0.528   0.528
   47    HE1  HIS   8           HE1      HIS   8  10.340  -0.371  -0.371
   48    H    VAL   9           HN       VAL   9   2.503  -1.988  -1.988
   49    HA   VAL   9           HA       VAL   9   2.602   0.406   0.406
   50    HB   VAL   9           HB       VAL   9   1.200  -0.987  -0.987
   51   1HG1  VAL   9          HG22      VAL   9   3.769  -1.248  -1.248
   52   2HG1  VAL   9          HG21      VAL   9   3.420  -2.761  -2.761
   53   3HG1  VAL   9          HG23      VAL   9   2.873  -2.522  -2.522
   54   1HG2  VAL   9          HG11      VAL   9   0.712  -2.381  -2.381
   55   2HG2  VAL   9          HG13      VAL   9  -0.085  -2.592  -2.592
   56   3HG2  VAL   9          HG12      VAL   9   1.371  -3.514  -3.514
   57    H    LEU  10           HN       LEU  10   0.304   1.238   1.238
   58    HA   LEU  10           HA       LEU  10  -1.499   0.998   0.998
   59   1HB   LEU  10           HB2      LEU  10  -1.796   3.446   3.446
   60   2HB   LEU  10           HB1      LEU  10  -0.096   3.034   3.034
   61    HG   LEU  10           HG       LEU  10  -0.495   2.996   2.996
   62   1HD1  LEU  10          HD22      LEU  10  -2.583   4.473   4.473
   63   2HD1  LEU  10          HD21      LEU  10  -1.370   5.710   5.710
   64   3HD1  LEU  10          HD23      LEU  10  -1.929   4.652   4.652
   65   1HD2  LEU  10          HD13      LEU  10   0.740   4.969   4.969
   66   2HD2  LEU  10          HD12      LEU  10   1.553   3.757   3.757
   67   3HD2  LEU  10          HD11      LEU  10   0.844   5.184   5.184
   68    H    VAL  11           HN       VAL  11  -3.750   1.301   1.301
   69    HA   VAL  11           HA       VAL  11  -4.502   0.705   0.705
   70    HB   VAL  11           HB       VAL  11  -6.146   0.971   0.971
   71   1HG1  VAL  11          HG11      VAL  11  -7.263   1.031   1.031
   72   2HG1  VAL  11          HG13      VAL  11  -6.800  -0.667  -0.667
   73   3HG1  VAL  11          HG12      VAL  11  -7.883  -0.129  -0.129
   74   1HG2  VAL  11          HG22      VAL  11  -4.330  -1.119  -1.119
   75   2HG2  VAL  11          HG21      VAL  11  -4.966  -0.867  -0.867
   76   3HG2  VAL  11          HG23      VAL  11  -5.937  -1.712  -1.712
   77    H    LEU  12           HN       LEU  12  -6.157   2.011   2.011
   78    HA   LEU  12           HA       LEU  12  -6.073   4.884   4.884
   79   1HB   LEU  12           HB2      LEU  12  -6.377   3.485   3.485
   80   2HB   LEU  12           HB1      LEU  12  -6.543   5.230   5.230
   81    HG   LEU  12           HG       LEU  12  -4.093   3.593   3.593
   82   1HD1  LEU  12          HD23      LEU  12  -4.949   4.551   4.551
   83   2HD1  LEU  12          HD22      LEU  12  -3.734   5.706   5.706
   84   3HD1  LEU  12          HD21      LEU  12  -3.328   3.995   3.995
   85   1HD2  LEU  12          HD13      LEU  12  -4.961   6.381   6.381
   86   2HD2  LEU  12          HD12      LEU  12  -3.847   5.356   5.356
   87   3HD2  LEU  12          HD11      LEU  12  -3.297   6.184   6.184
   88    H    ARG  13           HN       ARG  13  -8.098   6.106   6.106
   89    HA   ARG  13           HA       ARG  13 -10.568   4.445   4.445
   90   1HB   ARG  13           HB2      ARG  13  -9.642   6.601   6.601
   91   2HB   ARG  13           HB1      ARG  13 -11.363   6.278   6.278
   92   1HG   ARG  13           HG2      ARG  13 -10.549   3.756   3.756
   93   2HG   ARG  13           HG1      ARG  13  -9.242   4.555   4.555
   94   1HD   ARG  13           HD1      ARG  13 -10.672   5.388   5.388
   95   2HD   ARG  13           HD2      ARG  13 -12.079   5.381   5.381
   96    HE   ARG  13           HE       ARG  13 -11.862   2.816   2.816
   97   1HH1  ARG  13          HH11      ARG  13 -12.190   4.827   4.827
   98   2HH1  ARG  13          HH12      ARG  13 -11.656   3.695   3.695
   99   1HH2  ARG  13          HH21      ARG  13 -10.526   1.374   1.374
  100   2HH2  ARG  13          HH22      ARG  13 -10.713   1.741   1.741
  101    H    LYS  14           HN       LYS  14 -12.425   6.474   6.474
  102    HA   LYS  14           HA       LYS  14 -12.493   7.446   7.446
  103   1HB   LYS  14           HB1      LYS  14 -13.942   8.001   8.001
  104   2HB   LYS  14           HB2      LYS  14 -14.315   8.953   8.953
  105   1HG   LYS  14           HG1      LYS  14 -15.243   7.160   7.160
  106   2HG   LYS  14           HG2      LYS  14 -14.190   5.988   5.988
  107   1HD   LYS  14           HD1      LYS  14 -15.573   5.781   5.781
  108   2HD   LYS  14           HD2      LYS  14 -16.131   7.451   7.451
  109   1HE   LYS  14           HE2      LYS  14 -17.767   6.946   6.946
  110   2HE   LYS  14           HE1      LYS  14 -16.894   5.519   5.519
  111   1HZ   LYS  14           HZ2      LYS  14 -17.204   4.639   4.639
  112   2HZ   LYS  14           HZ1      LYS  14 -18.394   5.838   5.838
  113   3HZ   LYS  14           HZ3      LYS  14 -18.569   4.637   4.637
  114    H    SER  15           HN       SER  15 -11.900   9.260   9.260
  115    HA   SER  15           HA       SER  15 -10.893  11.549  11.549
  116   1HB   SER  15           HB1      SER  15 -12.679  11.636  11.636
  117   2HB   SER  15           HB2      SER  15 -11.327  11.437  11.437
  118    HG   SER  15           HG       SER  15 -12.038  13.593  13.593
  119    H    ASN  16           HN       ASN  16  -9.584   8.842   8.842
  120    HA   ASN  16           HA       ASN  16  -7.158  10.255  10.255
  121   1HB   ASN  16           HB1      ASN  16  -8.365   8.471   8.471
  122   2HB   ASN  16           HB2      ASN  16  -7.912   7.318   7.318
  123   1HD2  ASN  16          HD22      ASN  16  -5.232   7.012   7.012
  124   2HD2  ASN  16          HD21      ASN  16  -6.862   6.571   6.571
  125    H    PHE  17           HN       PHE  17  -8.300   8.496   8.496
  126    HA   PHE  17           HA       PHE  17  -5.899   7.303   7.303
  127   1HB   PHE  17           HB2      PHE  17  -8.107   6.855   6.855
  128   2HB   PHE  17           HB1      PHE  17  -8.300   8.542   8.542
  129    HD1  PHE  17           HD1      PHE  17  -5.267   6.393   6.393
  130    HD2  PHE  17           HD2      PHE  17  -8.441   8.451   8.451
  131    HE1  PHE  17           HE1      PHE  17  -4.178   5.921   5.921
  132    HE2  PHE  17           HE2      PHE  17  -7.352   7.981   7.981
  133    HZ   PHE  17           HZ       PHE  17  -5.220   6.715   6.715
  134    H    ALA  18           HN       ALA  18  -7.346  10.292  10.292
  135    HA   ALA  18           HA       ALA  18  -4.931  11.213  11.213
  136   1HB   ALA  18           HB2      ALA  18  -7.568  12.438  12.438
  137   2HB   ALA  18           HB1      ALA  18  -6.323  13.403  13.403
  138   3HB   ALA  18           HB3      ALA  18  -7.014  12.005  12.005
  139    H    GLU  19           HN       GLU  19  -5.904  11.237  11.237
  140    HA   GLU  19           HA       GLU  19  -4.472  13.664  13.664
  141   1HB   GLU  19           HB2      GLU  19  -6.487  12.615  12.615
  142   2HB   GLU  19           HB1      GLU  19  -5.425  11.317  11.317
  143   1HG   GLU  19           HG2      GLU  19  -3.947  13.364  13.364
  144   2HG   GLU  19           HG1      GLU  19  -5.508  14.186  14.186
  145    H    ALA  20           HN       ALA  20  -3.952  10.201  10.201
  146    HA   ALA  20           HA       ALA  20  -1.374  10.452  10.452
  147   1HB   ALA  20           HB3      ALA  20  -2.767   8.266   8.266
  148   2HB   ALA  20           HB2      ALA  20  -1.215   8.014   8.014
  149   3HB   ALA  20           HB1      ALA  20  -2.640   8.425   8.425
  150    H    LEU  21           HN       LEU  21  -2.346  10.170  10.170
  151    HA   LEU  21           HA       LEU  21   0.248   9.747   9.747
  152   1HB   LEU  21           HB2      LEU  21  -2.360  10.930  10.930
  153   2HB   LEU  21           HB1      LEU  21  -0.967  10.786  10.786
  154    HG   LEU  21           HG       LEU  21  -2.158   8.474   8.474
  155   1HD1  LEU  21          HD12      LEU  21  -2.981   9.749   9.749
  156   2HD1  LEU  21          HD11      LEU  21  -2.521   8.066   8.066
  157   3HD1  LEU  21          HD13      LEU  21  -3.777   8.465   8.465
  158   1HD2  LEU  21          HD21      LEU  21  -0.036   8.709   8.709
  159   2HD2  LEU  21          HD23      LEU  21   0.155   8.076   8.076
  160   3HD2  LEU  21          HD22      LEU  21  -0.786   7.177   7.177
  161    H    ALA  22           HN       ALA  22  -1.604  12.751  12.751
  162    HA   ALA  22           HA       ALA  22   0.364  14.543  14.543
  163   1HB   ALA  22           HB3      ALA  22  -1.820  14.840  14.840
  164   2HB   ALA  22           HB2      ALA  22  -0.960  16.199  16.199
  165   3HB   ALA  22           HB1      ALA  22  -1.962  15.153  15.153
  166    H    ALA  23           HN       ALA  23   0.243  12.759  12.759
  167    HA   ALA  23           HA       ALA  23   2.043  14.577  14.577
  168   1HB   ALA  23           HB2      ALA  23   0.150  13.096  13.096
  169   2HB   ALA  23           HB1      ALA  23   1.252  11.739  11.739
  170   3HB   ALA  23           HB3      ALA  23   1.683  13.043  13.043
  171    H    HIS  24           HN       HIS  24   2.241  11.279  11.279
  172    HA   HIS  24           HA       HIS  24   5.212  11.400  11.400
  173   1HB   HIS  24           HB1      HIS  24   3.100   9.286   9.286
  174   2HB   HIS  24           HB2      HIS  24   4.717   8.876   8.876
  175    HD1  HIS  24           HD1      HIS  24   2.771   8.883   8.883
  176    HD2  HIS  24           HD2      HIS  24   6.762   9.715   9.715
  177    HE1  HIS  24           HE1      HIS  24   4.035   8.713   8.713
  178    H    LYS  25           HN       LYS  25   6.363  10.209  10.209
  179    HA   LYS  25           HA       LYS  25   5.323  11.361  11.361
  180   1HB   LYS  25           HB2      LYS  25   7.952  10.804  10.804
  181   2HB   LYS  25           HB1      LYS  25   7.877  10.547  10.547
  182   1HG   LYS  25           HG2      LYS  25   8.276  12.791  12.791
  183   2HG   LYS  25           HG1      LYS  25   6.550  12.924  12.924
  184   1HD   LYS  25           HD2      LYS  25   8.147  12.539  12.539
  185   2HD   LYS  25           HD1      LYS  25   8.583  14.008  14.008
  186   1HE   LYS  25           HE2      LYS  25   5.932  14.288  14.288
  187   2HE   LYS  25           HE1      LYS  25   5.994  13.292  13.292
  188   1HZ   LYS  25           HZ1      LYS  25   7.810  15.593  15.593
  189   2HZ   LYS  25           HZ3      LYS  25   6.266  15.800  15.800
  190   3HZ   LYS  25           HZ2      LYS  25   7.400  14.801  14.801
  191    H    TYR  26           HN       TYR  26   7.430   8.554   8.554
  192    HA   TYR  26           HA       TYR  26   6.193   7.016   7.016
  193   1HB   TYR  26           HB2      TYR  26   8.375   6.711   6.711
  194   2HB   TYR  26           HB1      TYR  26   7.780   5.264   5.264
  195    HD1  TYR  26           HD2      TYR  26   8.018   8.714   8.714
  196    HD2  TYR  26           HD1      TYR  26   9.577   4.710   4.710
  197    HE1  TYR  26           HE2      TYR  26   9.361   9.285   9.285
  198    HE2  TYR  26           HE1      TYR  26  10.919   5.283   5.283
  199    HH   TYR  26           HH       TYR  26  10.557   7.229   7.229
  200    H    LEU  27           HN       LEU  27   4.006   6.611   6.611
  201    HA   LEU  27           HA       LEU  27   3.664   4.885   4.885
  202   1HB   LEU  27           HB2      LEU  27   2.788   7.378   7.378
  203   2HB   LEU  27           HB1      LEU  27   1.494   6.646   6.646
  204    HG   LEU  27           HG       LEU  27   1.367   4.925   4.925
  205   1HD1  LEU  27          HD13      LEU  27   3.502   5.877   5.877
  206   2HD1  LEU  27          HD12      LEU  27   2.547   7.287   7.287
  207   3HD1  LEU  27          HD11      LEU  27   2.145   5.697   5.697
  208   1HD2  LEU  27          HD22      LEU  27  -0.385   6.577   6.577
  209   2HD2  LEU  27          HD21      LEU  27  -0.211   6.398   6.398
  210   3HD2  LEU  27          HD23      LEU  27   0.479   7.800   7.800
  211    H    LEU  28           HN       LEU  28   2.600   2.964   2.964
  212    HA   LEU  28           HA       LEU  28   1.535   2.518   2.518
  213   1HB   LEU  28           HB2      LEU  28   3.443   1.152   1.152
  214   2HB   LEU  28           HB1      LEU  28   2.156   0.421   0.421
  215    HG   LEU  28           HG       LEU  28   0.977  -0.015  -0.015
  216   1HD1  LEU  28          HD13      LEU  28   2.750   1.570   1.570
  217   2HD1  LEU  28          HD12      LEU  28   3.754   0.120   0.120
  218   3HD1  LEU  28          HD11      LEU  28   2.204   0.136   0.136
  219   1HD2  LEU  28          HD22      LEU  28   2.107  -1.740  -1.740
  220   2HD2  LEU  28          HD21      LEU  28   2.186  -2.104  -2.104
  221   3HD2  LEU  28          HD23      LEU  28   3.597  -1.447  -1.447
  222    H    VAL  29           HN       VAL  29  -0.582   1.695   1.695
  223    HA   VAL  29           HA       VAL  29  -2.189   1.336   1.336
  224    HB   VAL  29           HB       VAL  29  -3.034   2.885   2.885
  225   1HG1  VAL  29          HG21      VAL  29  -4.852   1.850   1.850
  226   2HG1  VAL  29          HG23      VAL  29  -4.237   2.667   2.667
  227   3HG1  VAL  29          HG22      VAL  29  -4.889   3.611   3.611
  228   1HG2  VAL  29          HG13      VAL  29  -1.560   3.687   3.687
  229   2HG2  VAL  29          HG12      VAL  29  -1.577   4.434   4.434
  230   3HG2  VAL  29          HG11      VAL  29  -2.899   4.734   4.734
  231    H    GLU  30           HN       GLU  30  -3.301  -0.565  -0.565
  232    HA   GLU  30           HA       GLU  30  -3.753  -1.800  -1.800
  233   1HB   GLU  30           HB2      GLU  30  -2.206  -3.086  -3.086
  234   2HB   GLU  30           HB1      GLU  30  -3.149  -2.887  -2.887
  235   1HG   GLU  30           HG2      GLU  30  -4.972  -4.248  -4.248
  236   2HG   GLU  30           HG1      GLU  30  -3.960  -4.492  -4.492
  237    H    PHE  31           HN       PHE  31  -5.810  -2.820  -2.820
  238    HA   PHE  31           HA       PHE  31  -7.950  -1.991  -1.991
  239   1HB   PHE  31           HB1      PHE  31  -7.636  -1.887  -1.887
  240   2HB   PHE  31           HB2      PHE  31  -9.244  -1.932  -1.932
  241    HD1  PHE  31           HD2      PHE  31  -6.052  -0.061  -0.061
  242    HD2  PHE  31           HD1      PHE  31 -10.146  -0.004  -0.004
  243    HE1  PHE  31           HE2      PHE  31  -5.861   2.358   2.358
  244    HE2  PHE  31           HE1      PHE  31  -9.956   2.420   2.420
  245    HZ   PHE  31           HZ       PHE  31  -7.813   3.602   3.602
  246    H    TYR  32           HN       TYR  32  -8.628  -3.932  -3.932
  247    HA   TYR  32           HA       TYR  32  -9.704  -5.998  -5.998
  248   1HB   TYR  32           HB1      TYR  32  -8.322  -7.778  -7.778
  249   2HB   TYR  32           HB2      TYR  32  -7.244  -6.472  -6.472
  250    HD1  TYR  32           HD2      TYR  32  -6.791  -4.695  -4.695
  251    HD2  TYR  32           HD1      TYR  32  -7.991  -8.783  -8.783
  252    HE1  TYR  32           HE2      TYR  32  -5.890  -4.659  -4.659
  253    HE2  TYR  32           HE1      TYR  32  -7.089  -8.745  -8.745
  254    HH   TYR  32           HH       TYR  32  -5.237  -7.341  -7.341
  255    H    ALA  33           HN       ALA  33 -10.267  -7.986  -7.986
  256    HA   ALA  33           HA       ALA  33 -11.512  -6.827  -6.827
  257   1HB   ALA  33           HB2      ALA  33 -12.928  -6.849  -6.849
  258   2HB   ALA  33           HB1      ALA  33 -13.177  -8.537  -8.537
  259   3HB   ALA  33           HB3      ALA  33 -13.681  -7.248  -7.248
  260    HA   PRO  34           HA       PRO  34 -10.608 -10.768 -10.768
  261   1HB   PRO  34           HB2      PRO  34 -12.849 -11.330 -11.330
  262   2HB   PRO  34           HB1      PRO  34 -11.641 -10.124 -10.124
  263   1HG   PRO  34           HG2      PRO  34 -14.273  -9.737  -9.737
  264   2HG   PRO  34           HG1      PRO  34 -13.544  -8.804  -8.804
  265   1HD   PRO  34           HD2      PRO  34 -13.503  -7.939  -7.939
  266   2HD   PRO  34           HD1      PRO  34 -12.178  -7.605  -7.605
  267    H    TRP  35           HN       TRP  35 -13.743 -10.424 -10.424
  268    HA   TRP  35           HA       TRP  35 -14.033 -13.318 -13.318
  269   1HB   TRP  35           HB2      TRP  35 -16.082 -12.578 -12.578
  270   2HB   TRP  35           HB1      TRP  35 -15.956 -11.827 -11.827
  271    HD1  TRP  35           HD1      TRP  35 -15.737  -9.248  -9.248
  272    HE1  TRP  35           HE1      TRP  35 -15.772  -7.364  -7.364
  273    HE3  TRP  35           HE3      TRP  35 -15.369 -12.020 -12.020
  274    HZ2  TRP  35           HZ2      TRP  35 -15.661  -7.070  -7.070
  275    HZ3  TRP  35           HZ3      TRP  35 -15.339 -10.912 -10.912
  276    HH2  TRP  35           HH2      TRP  35 -15.484  -8.443  -8.443
  277    H    CYS  36           HN       CYS  36 -12.182 -10.892 -10.892
  278    HA   CYS  36           HA       CYS  36 -12.437 -11.165 -11.165
  279   1HB   CYS  36           HB1      CYS  36 -10.913  -9.625  -9.625
  280   2HB   CYS  36           HB2      CYS  36 -10.023 -10.942 -10.942
  281    H    GLY  37           HN       GLY  37 -11.246 -13.531 -13.531
  282   1HA   GLY  37           HA2      GLY  37 -10.803 -15.824 -15.824
  283   2HA   GLY  37           HA1      GLY  37 -11.343 -15.639 -15.639
  284    H    HIS  38           HN       HIS  38  -8.752 -16.616 -16.616
  285    HA   HIS  38           HA       HIS  38  -6.447 -16.791 -16.791
  286   1HB   HIS  38           HB2      HIS  38  -8.012 -16.544 -16.544
  287   2HB   HIS  38           HB1      HIS  38  -6.332 -16.051 -16.051
  288    HD1  HIS  38           HD1      HIS  38  -8.420 -19.003 -19.003
  289    HD2  HIS  38           HD2      HIS  38  -4.471 -18.165 -18.165
  290    HE1  HIS  38           HE1      HIS  38  -7.222 -21.232 -21.232
  291    H    CYS  39           HN       CYS  39  -7.764 -14.049 -14.049
  292    HA   CYS  39           HA       CYS  39  -5.779 -12.219 -12.219
  293   1HB   CYS  39           HB2      CYS  39  -8.508 -12.125 -12.125
  294   2HB   CYS  39           HB1      CYS  39  -7.570 -10.901 -10.901
  295    H    LYS  40           HN       LYS  40  -6.631 -13.737 -13.737
  296    HA   LYS  40           HA       LYS  40  -4.946 -12.009 -12.009
  297   1HB   LYS  40           HB2      LYS  40  -5.622 -13.590 -13.590
  298   2HB   LYS  40           HB1      LYS  40  -7.020 -13.153 -13.153
  299   1HG   LYS  40           HG2      LYS  40  -7.244 -15.472 -15.472
  300   2HG   LYS  40           HG1      LYS  40  -6.340 -15.286 -15.286
  301   1HD   LYS  40           HD2      LYS  40  -4.401 -16.112 -16.112
  302   2HD   LYS  40           HD1      LYS  40  -4.758 -15.496 -15.496
  303   1HE   LYS  40           HE2      LYS  40  -6.383 -17.744 -17.744
  304   2HE   LYS  40           HE1      LYS  40  -4.892 -18.056 -18.056
  305   1HZ   LYS  40           HZ3      LYS  40  -6.968 -16.242 -16.242
  306   2HZ   LYS  40           HZ2      LYS  40  -7.089 -17.919 -17.919
  307   3HZ   LYS  40           HZ1      LYS  40  -5.750 -17.066 -17.066
  308    H    ALA  41           HN       ALA  41  -4.433 -14.768 -14.768
  309    HA   ALA  41           HA       ALA  41  -2.392 -16.211 -16.211
  310   1HB   ALA  41           HB2      ALA  41  -2.807 -15.356 -15.356
  311   2HB   ALA  41           HB1      ALA  41  -1.622 -16.570 -16.570
  312   3HB   ALA  41           HB3      ALA  41  -3.341 -16.856 -16.856
  313    H    LEU  42           HN       LEU  42  -2.188 -13.030 -13.030
  314    HA   LEU  42           HA       LEU  42   0.743 -12.945 -12.945
  315   1HB   LEU  42           HB2      LEU  42  -0.188 -12.570 -12.570
  316   2HB   LEU  42           HB1      LEU  42  -0.935 -11.097 -11.097
  317    HG   LEU  42           HG       LEU  42   1.468 -10.541 -10.541
  318   1HD1  LEU  42          HD12      LEU  42   2.321 -12.844 -12.844
  319   2HD1  LEU  42          HD11      LEU  42   2.123 -12.442 -12.442
  320   3HD1  LEU  42          HD13      LEU  42   3.268 -11.539 -11.539
  321   1HD2  LEU  42          HD22      LEU  42   0.061  -9.621  -9.621
  322   2HD2  LEU  42          HD21      LEU  42   1.765  -9.200  -9.200
  323   3HD2  LEU  42          HD23      LEU  42   1.282 -10.476 -10.476
  324    H    ALA  43           HN       ALA  43  -0.990 -12.631 -12.631
  325    HA   ALA  43           HA       ALA  43  -1.471  -9.775  -9.775
  326   1HB   ALA  43           HB2      ALA  43  -2.054 -12.396 -12.396
  327   2HB   ALA  43           HB1      ALA  43  -1.780 -11.116 -11.116
  328   3HB   ALA  43           HB3      ALA  43  -3.040 -10.934 -10.934
  329    HA   PRO  44           HA       PRO  44   2.082 -10.379 -10.379
  330   1HB   PRO  44           HB2      PRO  44   3.532 -12.695 -12.695
  331   2HB   PRO  44           HB1      PRO  44   2.063 -12.488 -12.488
  332   1HG   PRO  44           HG2      PRO  44   2.463 -13.923 -13.923
  333   2HG   PRO  44           HG1      PRO  44   1.358 -14.279 -14.279
  334   1HD   PRO  44           HD1      PRO  44   0.655 -13.070 -13.070
  335   2HD   PRO  44           HD2      PRO  44  -0.302 -13.028 -13.028
  336    H    GLU  45           HN       GLU  45   2.321 -11.252 -11.252
  337    HA   GLU  45           HA       GLU  45   5.226 -10.724 -10.724
  338   1HB   GLU  45           HB2      GLU  45   3.080 -11.291 -11.291
  339   2HB   GLU  45           HB1      GLU  45   4.818 -11.266 -11.266
  340   1HG   GLU  45           HG1      GLU  45   4.135 -12.980 -12.980
  341   2HG   GLU  45           HG2      GLU  45   3.331 -13.491 -13.491
  342    H    TYR  46           HN       TYR  46   2.135  -9.178  -9.178
  343    HA   TYR  46           HA       TYR  46   3.161  -6.935  -6.935
  344   1HB   TYR  46           HB2      TYR  46   0.913  -7.199  -7.199
  345   2HB   TYR  46           HB1      TYR  46   0.648  -7.962  -7.962
  346    HD1  TYR  46           HD1      TYR  46   0.212  -6.592  -6.592
  347    HD2  TYR  46           HD2      TYR  46   0.680  -4.821  -4.821
  348    HE1  TYR  46           HE1      TYR  46  -0.788  -4.484  -4.484
  349    HE2  TYR  46           HE2      TYR  46  -0.319  -2.711  -2.711
  350    HH   TYR  46           HH       TYR  46  -2.063  -2.485  -2.485
  351    H    ALA  47           HN       ALA  47   3.037  -7.763  -7.763
  352    HA   ALA  47           HA       ALA  47   3.447  -4.936  -4.936
  353   1HB   ALA  47           HB2      ALA  47   2.178  -7.239  -7.239
  354   2HB   ALA  47           HB1      ALA  47   3.543  -6.914  -6.914
  355   3HB   ALA  47           HB3      ALA  47   2.330  -5.666  -5.666
  356    H    LYS  48           HN       LYS  48   5.306  -7.760  -7.760
  357    HA   LYS  48           HA       LYS  48   7.522  -7.060  -7.060
  358   1HB   LYS  48           HB2      LYS  48   6.725  -9.236  -9.236
  359   2HB   LYS  48           HB1      LYS  48   8.461  -9.001  -9.001
  360   1HG   LYS  48           HG2      LYS  48   8.384  -9.470  -9.470
  361   2HG   LYS  48           HG1      LYS  48   6.666  -9.085  -9.085
  362   1HD   LYS  48           HD2      LYS  48   6.554 -11.397 -11.397
  363   2HD   LYS  48           HD1      LYS  48   6.447 -11.117 -11.117
  364   1HE   LYS  48           HE2      LYS  48   8.555 -11.950 -11.950
  365   2HE   LYS  48           HE1      LYS  48   9.195 -11.336 -11.336
  366   1HZ   LYS  48           HZ2      LYS  48   7.763 -12.991 -12.991
  367   2HZ   LYS  48           HZ1      LYS  48   7.376 -13.654 -13.654
  368   3HZ   LYS  48           HZ3      LYS  48   8.977 -13.700 -13.700
  369    H    ALA  49           HN       ALA  49   6.560  -6.341  -6.341
  370    HA   ALA  49           HA       ALA  49   9.092  -5.943  -5.943
  371   1HB   ALA  49           HB2      ALA  49   6.577  -5.900  -5.900
  372   2HB   ALA  49           HB1      ALA  49   6.732  -4.168  -4.168
  373   3HB   ALA  49           HB3      ALA  49   7.802  -4.967  -4.967
  374    H    ALA  50           HN       ALA  50   7.004  -3.606  -3.606
  375    HA   ALA  50           HA       ALA  50   8.801  -1.377  -1.377
  376   1HB   ALA  50           HB3      ALA  50   6.402  -2.177  -2.177
  377   2HB   ALA  50           HB2      ALA  50   7.331  -0.793  -0.793
  378   3HB   ALA  50           HB1      ALA  50   6.637  -0.776  -0.776
  379    H    GLY  51           HN       GLY  51   8.992  -4.225  -4.225
  380   1HA   GLY  51           HA2      GLY  51  10.541  -2.931  -2.931
  381   2HA   GLY  51           HA1      GLY  51  10.115  -4.638  -4.638
  382    H    LYS  52           HN       LYS  52  11.127  -4.776  -4.776
  383    HA   LYS  52           HA       LYS  52  13.784  -5.639  -5.639
  384   1HB   LYS  52           HB2      LYS  52  13.788  -6.291  -6.291
  385   2HB   LYS  52           HB1      LYS  52  12.062  -6.160  -6.160
  386   1HG   LYS  52           HG1      LYS  52  12.046  -4.846  -4.846
  387   2HG   LYS  52           HG2      LYS  52  12.682  -3.596  -3.596
  388   1HD   LYS  52           HD2      LYS  52  14.841  -5.306  -5.306
  389   2HD   LYS  52           HD1      LYS  52  13.959  -4.767  -4.767
  390   1HE   LYS  52           HE2      LYS  52  14.763  -2.651  -2.651
  391   2HE   LYS  52           HE1      LYS  52  14.354  -2.602  -2.602
  392   1HZ   LYS  52           HZ3      LYS  52  16.631  -4.157  -4.157
  393   2HZ   LYS  52           HZ2      LYS  52  16.793  -2.578  -2.578
  394   3HZ   LYS  52           HZ1      LYS  52  16.288  -3.838  -3.838
  395    H    LEU  53           HN       LEU  53  12.516  -2.497  -2.497
  396    HA   LEU  53           HA       LEU  53  15.249  -1.425  -1.425
  397   1HB   LEU  53           HB1      LEU  53  14.000   0.536   0.536
  398   2HB   LEU  53           HB2      LEU  53  13.372  -0.934  -0.934
  399    HG   LEU  53           HG       LEU  53  11.907  -0.676  -0.676
  400   1HD1  LEU  53          HD13      LEU  53  12.888   1.689   1.689
  401   2HD1  LEU  53          HD12      LEU  53  11.932   1.994   1.994
  402   3HD1  LEU  53          HD11      LEU  53  11.130   1.578   1.578
  403   1HD2  LEU  53          HD23      LEU  53  11.461  -0.319  -0.319
  404   2HD2  LEU  53          HD22      LEU  53  10.672  -1.416  -1.416
  405   3HD2  LEU  53          HD21      LEU  53  10.200   0.283   0.283
  406    H    LYS  54           HN       LYS  54  12.963  -1.733  -1.733
  407    HA   LYS  54           HA       LYS  54  13.093   0.646   0.646
  408   1HB   LYS  54           HB2      LYS  54  11.849  -1.483  -1.483
  409   2HB   LYS  54           HB1      LYS  54  13.370  -2.173  -2.173
  410   1HG   LYS  54           HG2      LYS  54  12.747   0.474   0.474
  411   2HG   LYS  54           HG1      LYS  54  11.606  -0.795  -0.795
  412   1HD   LYS  54           HD2      LYS  54  14.372  -1.719  -1.719
  413   2HD   LYS  54           HD1      LYS  54  14.085  -0.340  -0.340
  414   1HE   LYS  54           HE2      LYS  54  12.510  -1.490  -1.490
  415   2HE   LYS  54           HE1      LYS  54  12.109  -2.612  -2.612
  416   1HZ   LYS  54           HZ1      LYS  54  14.519  -3.335  -3.335
  417   2HZ   LYS  54           HZ3      LYS  54  14.565  -2.533  -2.533
  418   3HZ   LYS  54           HZ2      LYS  54  13.496  -3.833  -3.833
  419    H    ALA  55           HN       ALA  55  15.470  -2.029  -2.029
  420    HA   ALA  55           HA       ALA  55  17.284  -0.790  -0.790
  421   1HB   ALA  55           HB3      ALA  55  17.107  -3.221  -3.221
  422   2HB   ALA  55           HB2      ALA  55  17.905  -2.747  -2.747
  423   3HB   ALA  55           HB1      ALA  55  18.749  -2.579  -2.579
  424    H    GLU  56           HN       GLU  56  16.784  -0.465  -0.465
  425    HA   GLU  56           HA       GLU  56  19.325   0.809   0.809
  426   1HB   GLU  56           HB1      GLU  56  16.749   0.180   0.180
  427   2HB   GLU  56           HB2      GLU  56  17.603   1.575   1.575
  428   1HG   GLU  56           HG2      GLU  56  19.286  -0.802  -0.802
  429   2HG   GLU  56           HG1      GLU  56  18.114  -0.991  -0.991
  430    H    GLY  57           HN       GLY  57  16.000   2.098   2.098
  431   1HA   GLY  57           HA1      GLY  57  15.644   4.119   4.119
  432   2HA   GLY  57           HA2      GLY  57  17.197   4.707   4.707
  433    H    SER  58           HN       SER  58  15.006   3.098   3.098
  434    HA   SER  58           HA       SER  58  14.947   5.378   5.378
  435   1HB   SER  58           HB2      SER  58  14.343   2.609   2.609
  436   2HB   SER  58           HB1      SER  58  12.861   3.436   3.436
  437    HG   SER  58           HG       SER  58  14.177   3.044   3.044
  438    H    GLU  59           HN       GLU  59  12.732   6.249   6.249
  439    HA   GLU  59           HA       GLU  59  11.023   6.813   6.813
  440   1HB   GLU  59           HB2      GLU  59  10.519   8.903   8.903
  441   2HB   GLU  59           HB1      GLU  59  12.228   8.733   8.733
  442   1HG   GLU  59           HG2      GLU  59  12.786   8.153   8.153
  443   2HG   GLU  59           HG1      GLU  59  11.129   7.691   7.691
  444    H    ILE  60           HN       ILE  60  10.960   4.695   4.695
  445    HA   ILE  60           HA       ILE  60   8.436   5.306   5.306
  446    HB   ILE  60           HB       ILE  60   8.844   3.137   3.137
  447   1HG1  ILE  60          HG11      ILE  60  10.948   2.810   2.810
  448   2HG1  ILE  60          HG12      ILE  60   9.478   1.858   1.858
  449   1HG2  ILE  60          HG22      ILE  60  10.385   5.275   5.275
  450   2HG2  ILE  60          HG21      ILE  60  11.618   4.208   4.208
  451   3HG2  ILE  60          HG23      ILE  60  10.761   3.748   3.748
  452   1HD1  ILE  60          HD11      ILE  60  10.929   1.824   1.824
  453   2HD1  ILE  60          HD13      ILE  60  12.017   1.371   1.371
  454   3HD1  ILE  60          HD12      ILE  60  10.523   0.470   0.470
  455    H    ARG  61           HN       ARG  61   6.412   4.351   4.351
  456    HA   ARG  61           HA       ARG  61   6.244   2.567   2.567
  457   1HB   ARG  61           HB2      ARG  61   5.318   5.313   5.313
  458   2HB   ARG  61           HB1      ARG  61   4.014   4.233   4.233
  459   1HG   ARG  61           HG2      ARG  61   4.858   4.001   4.001
  460   2HG   ARG  61           HG1      ARG  61   6.499   3.772   3.772
  461   1HD   ARG  61           HD2      ARG  61   6.152   6.422   6.422
  462   2HD   ARG  61           HD1      ARG  61   5.167   6.253   6.253
  463    HE   ARG  61           HE       ARG  61   8.070   5.610   5.610
  464   1HH1  ARG  61          HH21      ARG  61   5.348   4.780   4.780
  465   2HH1  ARG  61          HH22      ARG  61   6.017   5.200   5.200
  466   1HH2  ARG  61          HH11      ARG  61   8.868   6.652   6.652
  467   2HH2  ARG  61          HH12      ARG  61   8.011   6.260   6.260
  468    H    LEU  62           HN       LEU  62   4.020   1.532   1.532
  469    HA   LEU  62           HA       LEU  62   2.801   1.171   1.171
  470   1HB   LEU  62           HB1      LEU  62   3.355  -0.917  -0.917
  471   2HB   LEU  62           HB2      LEU  62   2.634  -1.224  -1.224
  472    HG   LEU  62           HG       LEU  62   5.365   0.038   0.038
  473   1HD1  LEU  62          HD23      LEU  62   4.492  -2.812  -2.812
  474   2HD1  LEU  62          HD22      LEU  62   5.933  -2.440  -2.440
  475   3HD1  LEU  62          HD21      LEU  62   5.880  -2.042  -2.042
  476   1HD2  LEU  62          HD11      LEU  62   3.628  -0.816  -0.816
  477   2HD2  LEU  62          HD13      LEU  62   4.860   0.444   0.444
  478   3HD2  LEU  62          HD12      LEU  62   5.332  -1.243  -1.243
  479    H    ALA  63           HN       ALA  63   0.522   0.250   0.250
  480    HA   ALA  63           HA       ALA  63  -0.821   0.582   0.582
  481   1HB   ALA  63           HB1      ALA  63  -0.419   2.820   2.820
  482   2HB   ALA  63           HB3      ALA  63  -1.967   2.280   2.280
  483   3HB   ALA  63           HB2      ALA  63  -1.803   2.611   2.611
  484    H    LYS  64           HN       LYS  64  -3.235   0.130   0.130
  485    HA   LYS  64           HA       LYS  64  -3.932  -1.371  -1.371
  486   1HB   LYS  64           HB2      LYS  64  -4.526  -3.337  -3.337
  487   2HB   LYS  64           HB1      LYS  64  -2.818  -2.939  -2.939
  488   1HG   LYS  64           HG2      LYS  64  -3.393  -1.612  -1.612
  489   2HG   LYS  64           HG1      LYS  64  -5.032  -2.250  -2.250
  490   1HD   LYS  64           HD2      LYS  64  -3.333  -4.485  -4.485
  491   2HD   LYS  64           HD1      LYS  64  -2.662  -3.520  -3.520
  492   1HE   LYS  64           HE2      LYS  64  -5.504  -3.530  -3.530
  493   2HE   LYS  64           HE1      LYS  64  -4.976  -5.205  -5.205
  494   1HZ   LYS  64           HZ2      LYS  64  -3.101  -4.624  -4.624
  495   2HZ   LYS  64           HZ1      LYS  64  -3.992  -3.237  -3.237
  496   3HZ   LYS  64           HZ3      LYS  64  -4.643  -4.778  -4.778
  497    H    VAL  65           HN       VAL  65  -6.264  -1.822  -1.822
  498    HA   VAL  65           HA       VAL  65  -7.924  -0.233  -0.233
  499    HB   VAL  65           HB       VAL  65  -8.114  -0.370  -0.370
  500   1HG1  VAL  65          HG12      VAL  65  -9.802   1.105   1.105
  501   2HG1  VAL  65          HG11      VAL  65  -9.929   1.308   1.308
  502   3HG1  VAL  65          HG13      VAL  65 -10.336  -0.242  -0.242
  503   1HG2  VAL  65          HG23      VAL  65  -7.105   1.676   1.676
  504   2HG2  VAL  65          HG22      VAL  65  -6.371   1.127   1.127
  505   3HG2  VAL  65          HG21      VAL  65  -7.774   2.193   2.193
  506    H    ASP  66           HN       ASP  66 -10.031  -1.103  -1.103
  507    HA   ASP  66           HA       ASP  66 -10.338  -3.954  -3.954
  508   1HB   ASP  66           HB2      ASP  66 -10.753  -2.389  -2.389
  509   2HB   ASP  66           HB1      ASP  66 -12.230  -3.243  -3.243
  510    H    ALA  67           HN       ALA  67 -11.364  -3.677  -3.677
  511    HA   ALA  67           HA       ALA  67 -13.332  -1.839  -1.839
  512   1HB   ALA  67           HB2      ALA  67 -12.096  -3.966  -3.966
  513   2HB   ALA  67           HB1      ALA  67 -13.679  -4.683  -4.683
  514   3HB   ALA  67           HB3      ALA  67 -13.539  -3.242  -3.242
  515    H    THR  68           HN       THR  68 -13.661  -4.731  -4.731
  516    HA   THR  68           HA       THR  68 -16.532  -4.888  -4.888
  517    HB   THR  68           HB       THR  68 -15.107  -6.725  -6.725
  518    HG1  THR  68           HG1      THR  68 -16.646  -7.169  -7.169
  519   1HG2  THR  68          HG22      THR  68 -13.973  -4.615  -4.615
  520   2HG2  THR  68          HG21      THR  68 -13.985  -6.276  -6.276
  521   3HG2  THR  68          HG23      THR  68 -13.145  -5.881  -5.881
  522    H    GLU  69           HN       GLU  69 -14.283  -2.733  -2.733
  523    HA   GLU  69           HA       GLU  69 -16.424  -1.731  -1.731
  524   1HB   GLU  69           HB2      GLU  69 -14.043  -2.583  -2.583
  525   2HB   GLU  69           HB1      GLU  69 -13.503  -1.012  -1.012
  526   1HG   GLU  69           HG1      GLU  69 -14.555   0.137   0.137
  527   2HG   GLU  69           HG2      GLU  69 -15.888  -1.015  -1.015
  528    H    GLU  70           HN       GLU  70 -13.668  -0.460  -0.460
  529    HA   GLU  70           HA       GLU  70 -14.754   2.222   2.222
  530   1HB   GLU  70           HB2      GLU  70 -12.561   0.646   0.646
  531   2HB   GLU  70           HB1      GLU  70 -12.954   2.256   2.256
  532   1HG   GLU  70           HG1      GLU  70 -11.704   3.123   3.123
  533   2HG   GLU  70           HG2      GLU  70 -12.873   2.481   2.481
  534    H    SER  71           HN       SER  71 -13.969   0.360   0.360
  535    HA   SER  71           HA       SER  71 -15.160   0.070   0.070
  536   1HB   SER  71           HB2      SER  71 -16.736  -0.698  -0.698
  537   2HB   SER  71           HB1      SER  71 -17.789   0.392   0.392
  538    HG   SER  71           HG       SER  71 -16.321  -1.755  -1.755
  539    H    ASP  72           HN       ASP  72 -14.780   2.890   2.890
  540    HA   ASP  72           HA       ASP  72 -16.872   4.344   4.344
  541   1HB   ASP  72           HB2      ASP  72 -16.031   4.556   4.556
  542   2HB   ASP  72           HB1      ASP  72 -15.090   5.823   5.823
  543    H    LEU  73           HN       LEU  73 -13.421   3.835   3.835
  544    HA   LEU  73           HA       LEU  73 -12.824   5.893   5.893
  545   1HB   LEU  73           HB2      LEU  73 -11.014   4.253   4.253
  546   2HB   LEU  73           HB1      LEU  73 -10.527   5.634   5.634
  547    HG   LEU  73           HG       LEU  73 -12.672   6.615   6.615
  548   1HD1  LEU  73          HD13      LEU  73 -11.913   4.296   4.296
  549   2HD1  LEU  73          HD12      LEU  73 -11.005   5.543   5.543
  550   3HD1  LEU  73          HD11      LEU  73 -12.761   5.653   5.653
  551   1HD2  LEU  73          HD23      LEU  73  -9.831   7.014   7.014
  552   2HD2  LEU  73          HD22      LEU  73 -11.069   8.187   8.187
  553   3HD2  LEU  73          HD21      LEU  73 -10.289   7.213   7.213
  554    H    ALA  74           HN       ALA  74 -12.902   2.443   2.443
  555    HA   ALA  74           HA       ALA  74 -11.229   1.717   1.717
  556   1HB   ALA  74           HB2      ALA  74 -12.666   0.489   0.489
  557   2HB   ALA  74           HB1      ALA  74 -12.944  -0.404  -0.404
  558   3HB   ALA  74           HB3      ALA  74 -11.299  -0.145  -0.145
  559    H    GLN  75           HN       GLN  75 -14.754   1.643   1.643
  560    HA   GLN  75           HA       GLN  75 -15.537   0.817   0.817
  561   1HB   GLN  75           HB2      GLN  75 -16.704   1.340   1.340
  562   2HB   GLN  75           HB1      GLN  75 -17.343   2.638   2.638
  563   1HG   GLN  75           HG2      GLN  75 -18.478   1.187   1.187
  564   2HG   GLN  75           HG1      GLN  75 -17.322  -0.121  -0.121
  565   1HE2  GLN  75          HE22      GLN  75 -20.581  -0.716  -0.716
  566   2HE2  GLN  75          HE21      GLN  75 -20.300  -0.239  -0.239
  567    H    GLN  76           HN       GLN  76 -14.509   3.892   3.892
  568    HA   GLN  76           HA       GLN  76 -15.682   5.612   5.612
  569   1HB   GLN  76           HB2      GLN  76 -14.407   5.918   5.918
  570   2HB   GLN  76           HB1      GLN  76 -13.073   6.275   6.275
  571   1HG   GLN  76           HG1      GLN  76 -14.292   8.049   8.049
  572   2HG   GLN  76           HG2      GLN  76 -15.798   7.565   7.565
  573   1HE2  GLN  76          HE22      GLN  76 -15.146   9.881   9.881
  574   2HE2  GLN  76          HE21      GLN  76 -16.246   9.274   9.274
  575    H    TYR  77           HN       TYR  77 -12.660   3.784   3.784
  576    HA   TYR  77           HA       TYR  77 -11.642   4.941   4.941
  577   1HB   TYR  77           HB2      TYR  77 -10.712   2.984   2.984
  578   2HB   TYR  77           HB1      TYR  77  -9.860   3.097   3.097
  579    HD1  TYR  77           HD1      TYR  77  -9.713   5.788   5.788
  580    HD2  TYR  77           HD2      TYR  77  -9.676   4.198   4.198
  581    HE1  TYR  77           HE1      TYR  77  -8.534   7.817   7.817
  582    HE2  TYR  77           HE2      TYR  77  -8.496   6.228   6.228
  583    HH   TYR  77           HH       TYR  77  -6.861   8.055   8.055
  584    H    GLY  78           HN       GLY  78 -12.696   1.742   1.742
  585   1HA   GLY  78           HA1      GLY  78 -14.279   0.655   0.655
  586   2HA   GLY  78           HA2      GLY  78 -12.886   0.835   0.835
  587    H    VAL  79           HN       VAL  79 -10.763   0.074   0.074
  588    HA   VAL  79           HA       VAL  79  -9.613  -1.864  -1.864
  589    HB   VAL  79           HB       VAL  79 -12.183  -2.060  -2.060
  590   1HG1  VAL  79          HG13      VAL  79  -9.883  -3.748  -3.748
  591   2HG1  VAL  79          HG12      VAL  79  -9.841  -2.885  -2.885
  592   3HG1  VAL  79          HG11      VAL  79 -11.253  -3.852  -3.852
  593   1HG2  VAL  79          HG21      VAL  79  -9.859  -0.248  -0.248
  594   2HG2  VAL  79          HG23      VAL  79 -11.472  -0.034  -0.034
  595   3HG2  VAL  79          HG22      VAL  79 -10.263  -0.970  -0.970
  596    H    ARG  80           HN       ARG  80  -9.629  -3.165  -3.165
  597    HA   ARG  80           HA       ARG  80 -11.792  -4.578  -4.578
  598   1HB   ARG  80           HB1      ARG  80  -8.832  -5.187  -5.187
  599   2HB   ARG  80           HB2      ARG  80  -9.920  -6.100  -6.100
  600   1HG   ARG  80           HG2      ARG  80  -9.657  -4.524  -4.524
  601   2HG   ARG  80           HG1      ARG  80 -10.432  -3.360  -3.360
  602   1HD   ARG  80           HD2      ARG  80  -8.463  -2.279  -2.279
  603   2HD   ARG  80           HD1      ARG  80  -7.702  -3.775  -3.775
  604    HE   ARG  80           HE       ARG  80  -7.192  -4.348  -4.348
  605   1HH1  ARG  80          HH11      ARG  80  -9.351  -1.793  -1.793
  606   2HH1  ARG  80          HH12      ARG  80  -8.469  -0.885  -0.885
  607   1HH2  ARG  80          HH21      ARG  80  -5.674  -2.933  -2.933
  608   2HH2  ARG  80          HH22      ARG  80  -6.388  -1.530  -1.530
  609    H    GLY  81           HN       GLY  81 -10.024  -5.207  -5.207
  610   1HA   GLY  81           HA2      GLY  81 -11.800  -6.910  -6.910
  611   2HA   GLY  81           HA1      GLY  81 -10.857  -8.003  -8.003
  612    H    TYR  82           HN       TYR  82 -11.030  -7.023  -7.023
  613    HA   TYR  82           HA       TYR  82  -8.448  -6.145  -6.145
  614   1HB   TYR  82           HB2      TYR  82 -10.346  -8.049  -8.049
  615   2HB   TYR  82           HB1      TYR  82  -9.107  -7.070  -7.070
  616    HD1  TYR  82           HD1      TYR  82  -9.525  -4.554  -4.554
  617    HD2  TYR  82           HD2      TYR  82 -12.247  -7.128  -7.128
  618    HE1  TYR  82           HE1      TYR  82 -11.145  -2.687  -2.687
  619    HE2  TYR  82           HE2      TYR  82 -13.867  -5.259  -5.259
  620    HH   TYR  82           HH       TYR  82 -14.383  -3.153  -3.153
  621    HA   PRO  83           HA       PRO  83  -7.286  -6.582  -6.582
  622   1HB   PRO  83           HB2      PRO  83  -4.654  -6.970  -6.970
  623   2HB   PRO  83           HB1      PRO  83  -5.962  -7.874  -7.874
  624   1HG   PRO  83           HG2      PRO  83  -3.996  -8.760  -8.760
  625   2HG   PRO  83           HG1      PRO  83  -4.953  -9.710  -9.710
  626   1HD   PRO  83           HD1      PRO  83  -5.420  -9.311  -9.311
  627   2HD   PRO  83           HD2      PRO  83  -6.393 -10.250 -10.250
  628    H    THR  84           HN       THR  84  -7.019  -4.574  -4.574
  629    HA   THR  84           HA       THR  84  -5.177  -4.346  -4.346
  630    HB   THR  84           HB       THR  84  -7.133  -2.427  -2.427
  631    HG1  THR  84           HG1      THR  84  -8.024  -4.313  -4.313
  632   1HG2  THR  84          HG22      THR  84  -5.085  -2.030  -2.030
  633   2HG2  THR  84          HG21      THR  84  -6.676  -1.787  -1.787
  634   3HG2  THR  84          HG23      THR  84  -6.195  -0.850  -0.850
  635    H    ILE  85           HN       ILE  85  -3.105  -4.422  -4.422
  636    HA   ILE  85           HA       ILE  85  -2.487  -2.565  -2.565
  637    HB   ILE  85           HB       ILE  85  -0.784  -4.325  -4.325
  638   1HG1  ILE  85          HG11      ILE  85  -1.331  -4.970  -4.970
  639   2HG1  ILE  85          HG12      ILE  85  -2.683  -5.160  -5.160
  640   1HG2  ILE  85          HG22      ILE  85  -0.172  -2.867  -2.867
  641   2HG2  ILE  85          HG21      ILE  85   0.861  -4.116  -4.116
  642   3HG2  ILE  85          HG23      ILE  85   0.592  -2.608  -2.608
  643   1HD1  ILE  85          HD13      ILE  85  -0.524  -6.274  -6.274
  644   2HD1  ILE  85          HD12      ILE  85  -0.287  -6.800  -6.800
  645   3HD1  ILE  85          HD11      ILE  85  -1.797  -7.168  -7.168
  646    H    LYS  86           HN       LYS  86  -1.948  -0.440  -0.440
  647    HA   LYS  86           HA       LYS  86  -0.839   0.323   0.323
  648   1HB   LYS  86           HB1      LYS  86  -2.805   1.805   1.805
  649   2HB   LYS  86           HB2      LYS  86  -2.201   2.377   2.377
  650   1HG   LYS  86           HG1      LYS  86  -3.144   0.316   0.316
  651   2HG   LYS  86           HG2      LYS  86  -3.846  -0.125  -0.125
  652   1HD   LYS  86           HD2      LYS  86  -4.387   2.604   2.604
  653   2HD   LYS  86           HD1      LYS  86  -5.284   1.221   1.221
  654   1HE   LYS  86           HE2      LYS  86  -5.856   0.633   0.633
  655   2HE   LYS  86           HE1      LYS  86  -5.196   2.217   2.217
  656   1HZ   LYS  86           HZ1      LYS  86  -6.663   3.176   3.176
  657   2HZ   LYS  86           HZ3      LYS  86  -7.400   1.656   1.656
  658   3HZ   LYS  86           HZ2      LYS  86  -7.509   2.506   2.506
  659    H    PHE  87           HN       PHE  87   0.209   2.592   2.592
  660    HA   PHE  87           HA       PHE  87   1.587   2.961   2.961
  661   1HB   PHE  87           HB2      PHE  87   3.050   1.691   1.691
  662   2HB   PHE  87           HB1      PHE  87   2.739   2.791   2.791
  663    HD1  PHE  87           HD1      PHE  87   3.624   3.282   3.282
  664    HD2  PHE  87           HD2      PHE  87   4.627   4.077   4.077
  665    HE1  PHE  87           HE1      PHE  87   5.516   4.705   4.705
  666    HE2  PHE  87           HE2      PHE  87   6.517   5.501   5.501
  667    HZ   PHE  87           HZ       PHE  87   6.960   5.828   5.828
  668    H    PHE  88           HN       PHE  88   1.683   5.109   5.109
  669    HA   PHE  88           HA       PHE  88   0.975   7.158   7.158
  670   1HB   PHE  88           HB2      PHE  88   0.131   6.682   6.682
  671   2HB   PHE  88           HB1      PHE  88   0.047   8.301   8.301
  672    HD1  PHE  88           HD1      PHE  88  -0.919   4.763   4.763
  673    HD2  PHE  88           HD2      PHE  88  -1.839   8.934   8.934
  674    HE1  PHE  88           HE1      PHE  88  -3.035   4.171   4.171
  675    HE2  PHE  88           HE2      PHE  88  -3.954   8.343   8.343
  676    HZ   PHE  88           HZ       PHE  88  -4.547   5.944   5.944
  677    H    ARG  89           HN       ARG  89   2.502   8.753   8.753
  678    HA   ARG  89           HA       ARG  89   4.696   8.897   8.897
  679   1HB   ARG  89           HB1      ARG  89   5.247   8.392   8.392
  680   2HB   ARG  89           HB2      ARG  89   4.461   9.888   9.888
  681   1HG   ARG  89           HG2      ARG  89   6.394  10.371  10.371
  682   2HG   ARG  89           HG1      ARG  89   7.149   9.588   9.588
  683   1HD   ARG  89           HD2      ARG  89   5.268  11.877  11.877
  684   2HD   ARG  89           HD1      ARG  89   6.921  12.224  12.224
  685    HE   ARG  89           HE       ARG  89   6.927  10.240  10.240
  686   1HH1  ARG  89          HH11      ARG  89   5.219  12.801  12.801
  687   2HH1  ARG  89          HH12      ARG  89   6.391  13.663  13.663
  688   1HH2  ARG  89          HH21      ARG  89   9.052  11.689  11.689
  689   2HH2  ARG  89          HH22      ARG  89   8.562  13.033  13.033
  690    H    ASN  90           HN       ASN  90   4.705  10.644  10.644
  691    HA   ASN  90           HA       ASN  90   4.115  12.736  12.736
  692   1HB   ASN  90           HB1      ASN  90   5.685  13.136  13.136
  693   2HB   ASN  90           HB2      ASN  90   4.243  13.584  13.584
  694   1HD2  ASN  90          HD22      ASN  90   5.842  16.557  16.557
  695   2HD2  ASN  90          HD21      ASN  90   6.561  15.313  15.313
  696    H    GLY  91           HN       GLY  91   1.871  10.984  10.984
  697   1HA   GLY  91           HA2      GLY  91  -0.445  11.138  11.138
  698   2HA   GLY  91           HA1      GLY  91  -0.317  12.704  12.704
  699    H    ASP  92           HN       ASP  92  -0.219  11.076  11.076
  700    HA   ASP  92           HA       ASP  92  -0.265  13.713  13.713
  701   1HB   ASP  92           HB1      ASP  92   1.253  11.627  11.627
  702   2HB   ASP  92           HB2      ASP  92  -0.187  11.001  11.001
  703    H    THR  93           HN       THR  93  -2.137  10.732  10.732
  704    HA   THR  93           HA       THR  93  -4.336  10.160  10.160
  705    HB   THR  93           HB       THR  93  -5.916  11.882  11.882
  706    HG1  THR  93           HG1      THR  93  -4.819  13.638  13.638
  707   1HG2  THR  93          HG23      THR  93  -3.754  10.848  10.848
  708   2HG2  THR  93          HG22      THR  93  -3.969  12.523  12.523
  709   3HG2  THR  93          HG21      THR  93  -5.322  11.393  11.393
  710    H    ALA  94           HN       ALA  94  -2.571  11.155  11.155
  711    HA   ALA  94           HA       ALA  94  -4.737  11.867  11.867
  712   1HB   ALA  94           HB1      ALA  94  -3.644  13.941  13.941
  713   2HB   ALA  94           HB3      ALA  94  -2.113  13.365  13.365
  714   3HB   ALA  94           HB2      ALA  94  -3.447  13.756  13.756
  715    H    SER  95           HN       SER  95  -1.302  11.054  11.054
  716    HA   SER  95           HA       SER  95  -1.483   9.285   9.285
  717   1HB   SER  95           HB1      SER  95  -0.486  11.359  11.359
  718   2HB   SER  95           HB2      SER  95   0.590  11.399  11.399
  719    HG   SER  95           HG       SER  95   1.285  10.486  10.486
  720    HA   PRO  96           HA       PRO  96   0.749   7.585   7.585
  721   1HB   PRO  96           HB1      PRO  96  -1.107   5.714   5.714
  722   2HB   PRO  96           HB2      PRO  96  -1.099   7.370   7.370
  723   1HG   PRO  96           HG2      PRO  96  -2.776   6.165   6.165
  724   2HG   PRO  96           HG1      PRO  96  -3.226   7.320   7.320
  725   1HD   PRO  96           HD1      PRO  96  -2.743   8.045   8.045
  726   2HD   PRO  96           HD2      PRO  96  -2.477   9.124   9.124
  727    H    LYS  97           HN       LYS  97   1.375   5.169   5.169
  728    HA   LYS  97           HA       LYS  97   1.491   3.979   3.979
  729   1HB   LYS  97           HB1      LYS  97   3.166   3.837   3.837
  730   2HB   LYS  97           HB2      LYS  97   3.395   2.699   2.699
  731   1HG   LYS  97           HG2      LYS  97   3.259   5.582   5.582
  732   2HG   LYS  97           HG1      LYS  97   4.711   5.044   5.044
  733   1HD   LYS  97           HD2      LYS  97   5.418   3.754   3.754
  734   2HD   LYS  97           HD1      LYS  97   3.777   3.295   3.295
  735   1HE   LYS  97           HE2      LYS  97   3.722   4.908   4.908
  736   2HE   LYS  97           HE1      LYS  97   4.173   6.145   6.145
  737   1HZ   LYS  97           HZ2      LYS  97   6.107   4.206   4.206
  738   2HZ   LYS  97           HZ1      LYS  97   5.857   5.754   5.754
  739   3HZ   LYS  97           HZ3      LYS  97   6.449   5.589   5.589
  740    H    GLU  98           HN       GLU  98   1.719   1.466   1.466
  741    HA   GLU  98           HA       GLU  98  -0.330   0.413   0.413
  742   1HB   GLU  98           HB2      GLU  98  -1.124   0.710   0.710
  743   2HB   GLU  98           HB1      GLU  98   0.163  -0.368  -0.368
  744   1HG   GLU  98           HG2      GLU  98  -1.835  -1.698  -1.698
  745   2HG   GLU  98           HG1      GLU  98  -0.773  -2.125  -2.125
  746    H    TYR  99           HN       TYR  99   0.237  -1.506  -1.506
  747    HA   TYR  99           HA       TYR  99   3.006  -2.386  -2.386
  748   1HB   TYR  99           HB1      TYR  99   1.441  -2.317  -2.317
  749   2HB   TYR  99           HB2      TYR  99   0.609  -3.705  -3.705
  750    HD1  TYR  99           HD1      TYR  99   4.234  -2.777  -2.777
  751    HD2  TYR  99           HD2      TYR  99   1.174  -5.636  -5.636
  752    HE1  TYR  99           HE1      TYR  99   5.946  -4.287  -4.287
  753    HE2  TYR  99           HE2      TYR  99   2.888  -7.150  -7.150
  754    HH   TYR  99           HH       TYR  99   5.850  -6.222  -6.222
  755    H    THR 100           HN       THR 100   3.798  -4.337  -4.337
  756    HA   THR 100           HA       THR 100   1.915  -5.788  -5.788
  757    HB   THR 100           HB       THR 100   4.146  -6.317  -6.317
  758    HG1  THR 100           HG1      THR 100   5.889  -5.267  -5.267
  759   1HG2  THR 100          HG22      THR 100   2.386  -4.234  -4.234
  760   2HG2  THR 100          HG21      THR 100   3.916  -3.381  -3.381
  761   3HG2  THR 100          HG23      THR 100   3.729  -4.551  -4.551
  762    H    ALA 101           HN       ALA 101   4.833  -6.253  -6.253
  763    HA   ALA 101           HA       ALA 101   4.700  -9.135  -9.135
  764   1HB   ALA 101           HB3      ALA 101   5.970  -7.084  -7.084
  765   2HB   ALA 101           HB2      ALA 101   6.307  -8.814  -8.814
  766   3HB   ALA 101           HB1      ALA 101   6.738  -7.895  -7.895
  767    H    GLY 102           HN       GLY 102   4.842  -9.779  -9.779
  768   1HA   GLY 102           HA2      GLY 102   3.182  -8.998  -8.998
  769   2HA   GLY 102           HA1      GLY 102   1.980  -9.512  -9.512
  770    H    ARG 103           HN       ARG 103   5.038 -10.791 -10.791
  771    HA   ARG 103           HA       ARG 103   3.646 -13.426 -13.426
  772   1HB   ARG 103           HB1      ARG 103   5.771 -12.712 -12.712
  773   2HB   ARG 103           HB2      ARG 103   6.529 -13.574 -13.574
  774   1HG   ARG 103           HG2      ARG 103   4.898 -15.428 -15.428
  775   2HG   ARG 103           HG1      ARG 103   4.216 -14.574 -14.574
  776   1HD   ARG 103           HD2      ARG 103   5.931 -15.197 -15.197
  777   2HD   ARG 103           HD1      ARG 103   7.152 -14.893 -14.893
  778    HE   ARG 103           HE       ARG 103   5.631 -17.414 -17.414
  779   1HH1  ARG 103          HH21      ARG 103   6.864 -15.578 -15.578
  780   2HH1  ARG 103          HH22      ARG 103   7.896 -16.819 -16.819
  781   1HH2  ARG 103          HH11      ARG 103   7.363 -18.980 -18.980
  782   2HH2  ARG 103          HH12      ARG 103   8.178 -18.745 -18.745
  783    H    GLU 104           HN       GLU 104   6.116 -11.190 -11.190
  784    HA   GLU 104           HA       GLU 104   5.680 -12.170 -12.170
  785   1HB   GLU 104           HB2      GLU 104   8.059 -12.783 -12.783
  786   2HB   GLU 104           HB1      GLU 104   7.309 -13.747 -13.747
  787   1HG   GLU 104           HG2      GLU 104   8.170 -11.945 -11.945
  788   2HG   GLU 104           HG1      GLU 104   9.185 -11.398 -11.398
  789    H    ALA 105           HN       ALA 105   6.724 -10.756 -10.756
  790    HA   ALA 105           HA       ALA 105   6.517  -8.022  -8.022
  791   1HB   ALA 105           HB1      ALA 105   7.670  -9.904  -9.904
  792   2HB   ALA 105           HB3      ALA 105   8.766  -8.531  -8.531
  793   3HB   ALA 105           HB2      ALA 105   7.093  -8.275  -8.275
  794    H    ASP 106           HN       ASP 106   9.223 -10.014 -10.014
  795    HA   ASP 106           HA       ASP 106  10.998  -7.736  -7.736
  796   1HB   ASP 106           HB1      ASP 106  11.720 -10.040 -10.040
  797   2HB   ASP 106           HB2      ASP 106  11.062 -10.604 -10.604
  798    H    ASP 107           HN       ASP 107   8.462  -9.313  -9.313
  799    HA   ASP 107           HA       ASP 107   9.359  -8.465  -8.465
  800   1HB   ASP 107           HB2      ASP 107   6.842  -9.554  -9.554
  801   2HB   ASP 107           HB1      ASP 107   6.830  -8.994  -8.994
  802    H    ILE 108           HN       ILE 108   7.274  -7.142  -7.142
  803    HA   ILE 108           HA       ILE 108   6.285  -4.928  -4.928
  804    HB   ILE 108           HB       ILE 108   6.320  -5.527  -5.527
  805   1HG1  ILE 108          HG12      ILE 108   4.167  -5.815  -5.815
  806   2HG1  ILE 108          HG11      ILE 108   5.062  -7.141  -7.141
  807   1HG2  ILE 108          HG21      ILE 108   4.964  -3.353  -3.353
  808   2HG2  ILE 108          HG23      ILE 108   4.393  -3.842  -3.842
  809   3HG2  ILE 108          HG22      ILE 108   6.012  -3.168  -3.168
  810   1HD1  ILE 108          HD12      ILE 108   3.487  -5.168  -5.168
  811   2HD1  ILE 108          HD11      ILE 108   2.742  -6.617  -6.617
  812   3HD1  ILE 108          HD13      ILE 108   4.076  -6.764  -6.764
  813    H    VAL 109           HN       VAL 109   8.669  -5.247  -5.247
  814    HA   VAL 109           HA       VAL 109   9.473  -2.523  -2.523
  815    HB   VAL 109           HB       VAL 109   9.999  -4.410  -4.410
  816   1HG1  VAL 109          HG11      VAL 109  10.713  -6.042  -6.042
  817   2HG1  VAL 109          HG13      VAL 109  12.166  -5.076  -5.076
  818   3HG1  VAL 109          HG12      VAL 109  11.888  -5.857  -5.857
  819   1HG2  VAL 109          HG21      VAL 109  11.630  -2.203  -2.203
  820   2HG2  VAL 109          HG23      VAL 109  11.457  -2.879  -2.879
  821   3HG2  VAL 109          HG22      VAL 109  12.676  -3.522  -3.522
  822    H    ASN 110           HN       ASN 110  10.664  -5.228  -5.228
  823    HA   ASN 110           HA       ASN 110  12.851  -4.031  -4.031
  824   1HB   ASN 110           HB1      ASN 110  10.917  -6.212  -6.212
  825   2HB   ASN 110           HB2      ASN 110  11.713  -5.617  -5.617
  826   1HD2  ASN 110          HD22      ASN 110  14.073  -7.260  -7.260
  827   2HD2  ASN 110          HD21      ASN 110  12.617  -6.506  -6.506
  828    H    TRP 111           HN       TRP 111   9.404  -3.923  -3.923
  829    HA   TRP 111           HA       TRP 111   9.765  -2.361  -2.361
  830   1HB   TRP 111           HB1      TRP 111   7.787  -3.801  -3.801
  831   2HB   TRP 111           HB2      TRP 111   7.335  -2.409  -2.409
  832    HD1  TRP 111           HD1      TRP 111   7.056  -3.784  -3.784
  833    HE1  TRP 111           HE1      TRP 111   5.986  -2.049  -2.049
  834    HE3  TRP 111           HE3      TRP 111   7.272   0.361   0.361
  835    HZ2  TRP 111           HZ2      TRP 111   5.314   0.729   0.729
  836    HZ3  TRP 111           HZ3      TRP 111   6.409   2.537   2.537
  837    HH2  TRP 111           HH2      TRP 111   5.431   2.727   2.727
  838    H    LEU 112           HN       LEU 112   9.477  -1.545  -1.545
  839    HA   LEU 112           HA       LEU 112   9.063   1.325   1.325
  840   1HB   LEU 112           HB1      LEU 112   9.193  -0.514  -0.514
  841   2HB   LEU 112           HB2      LEU 112   9.436   1.211   1.211
  842    HG   LEU 112           HG       LEU 112   7.124   0.303   0.303
  843   1HD1  LEU 112          HD12      LEU 112   7.440  -0.782  -0.782
  844   2HD1  LEU 112          HD11      LEU 112   6.588   0.710   0.710
  845   3HD1  LEU 112          HD13      LEU 112   5.870  -0.441  -0.441
  846   1HD2  LEU 112          HD22      LEU 112   7.617   2.616   2.616
  847   2HD2  LEU 112          HD21      LEU 112   7.632   2.693   2.693
  848   3HD2  LEU 112          HD23      LEU 112   6.126   2.359   2.359
  849    H    LYS 113           HN       LYS 113  11.701  -0.819  -0.819
  850    HA   LYS 113           HA       LYS 113  13.519   1.425   1.425
  851   1HB   LYS 113           HB2      LYS 113  15.068  -0.349  -0.349
  852   2HB   LYS 113           HB1      LYS 113  13.483  -0.789  -0.789
  853   1HG   LYS 113           HG2      LYS 113  13.130  -2.113  -2.113
  854   2HG   LYS 113           HG1      LYS 113  14.841  -1.852  -1.852
  855   1HD   LYS 113           HD2      LYS 113  13.705  -3.206  -3.206
  856   2HD   LYS 113           HD1      LYS 113  14.518  -4.014  -4.014
  857   1HE   LYS 113           HE2      LYS 113  16.542  -2.531  -2.531
  858   2HE   LYS 113           HE1      LYS 113  15.726  -2.082  -2.082
  859   1HZ   LYS 113           HZ2      LYS 113  15.381  -4.597  -4.597
  860   2HZ   LYS 113           HZ1      LYS 113  16.627  -4.752  -4.752
  861   3HZ   LYS 113           HZ3      LYS 113  16.925  -3.969  -3.969
  862    H    LYS 114           HN       LYS 114  12.370   0.163   0.163
  863    HA   LYS 114           HA       LYS 114  14.817  -0.122  -0.122
  864   1HB   LYS 114           HB2      LYS 114  12.482  -1.059  -1.059
  865   2HB   LYS 114           HB1      LYS 114  12.037   0.562   0.562
  866   1HG   LYS 114           HG2      LYS 114  12.701  -0.407  -0.407
  867   2HG   LYS 114           HG1      LYS 114  14.204   0.347   0.347
  868   1HD   LYS 114           HD2      LYS 114  14.172  -2.165  -2.165
  869   2HD   LYS 114           HD1      LYS 114  13.615  -2.466  -2.466
  870   1HE   LYS 114           HE2      LYS 114  15.714  -2.193  -2.193
  871   2HE   LYS 114           HE1      LYS 114  15.846  -0.607  -0.607
  872   1HZ   LYS 114           HZ1      LYS 114  16.161  -3.225  -3.225
  873   2HZ   LYS 114           HZ3      LYS 114  17.441  -2.211  -2.211
  874   3HZ   LYS 114           HZ2      LYS 114  16.325  -1.693  -1.693
  875    H    ARG 115           HN       ARG 115  12.788   2.582   2.582
  876    HA   ARG 115           HA       ARG 115  14.435   4.375   4.375
  877   1HB   ARG 115           HB2      ARG 115  12.408   5.850   5.850
  878   2HB   ARG 115           HB1      ARG 115  12.081   4.279   4.279
  879   1HG   ARG 115           HG2      ARG 115  10.976   3.477   3.477
  880   2HG   ARG 115           HG1      ARG 115  11.677   4.725   4.725
  881   1HD   ARG 115           HD2      ARG 115   9.493   5.538   5.538
  882   2HD   ARG 115           HD1      ARG 115  10.374   6.367   6.367
  883    HE   ARG 115           HE       ARG 115   8.703   3.920   3.920
  884   1HH1  ARG 115          HH21      ARG 115   9.989   3.321   3.321
  885   2HH1  ARG 115          HH22      ARG 115   9.715   4.538   4.538
  886   1HH2  ARG 115          HH11      ARG 115   8.587   6.903   6.903
  887   2HH2  ARG 115          HH12      ARG 115   8.923   6.563   6.563
  888    H    THR 116           HN       THR 116  14.106   3.425   3.425
  889    HA   THR 116           HA       THR 116  14.382   6.116   6.116
  890    HB   THR 116           HB       THR 116  14.208   3.273   3.273
  891    HG1  THR 116           HG1      THR 116  12.158   3.853   3.853
  892   1HG2  THR 116          HG21      THR 116  15.046   5.742   5.742
  893   2HG2  THR 116          HG23      THR 116  13.658   4.994   4.994
  894   3HG2  THR 116          HG22      THR 116  15.149   4.078   4.078
  895    H    GLY 117           HN       GLY 117  16.296   3.221   3.221
  896   1HA   GLY 117           HA1      GLY 117  18.576   3.782   3.782
  897   2HA   GLY 117           HA2      GLY 117  18.612   2.858   2.858
  898    HA   PRO 118           HA       PRO 118  20.788   6.937   6.937
  899   1HB   PRO 118           HB2      PRO 118  23.200   5.904   5.904
  900   2HB   PRO 118           HB1      PRO 118  22.791   6.239   6.239
  901   1HG   PRO 118           HG2      PRO 118  22.796   3.656   3.656
  902   2HG   PRO 118           HG1      PRO 118  23.275   3.998   3.998
  903   1HD   PRO 118           HD2      PRO 118  20.887   2.865   2.865
  904   2HD   PRO 118           HD1      PRO 118  21.139   3.814   3.814
  905    H    ALA 119           HN       ALA 119  18.998   6.360   6.360
  906    HA   ALA 119           HA       ALA 119  20.274   6.646   6.646
  907   1HB   ALA 119           HB2      ALA 119  19.980   4.045   4.045
  908   2HB   ALA 119           HB1      ALA 119  18.666   4.225   4.225
  909   3HB   ALA 119           HB3      ALA 119  20.335   4.479   4.479
  910    H    ALA 120           HN       ALA 120  18.863   7.994   7.994
  911    HA   ALA 120           HA       ALA 120  15.937   7.715   7.715
  912   1HB   ALA 120           HB2      ALA 120  17.774  10.041  10.041
  913   2HB   ALA 120           HB1      ALA 120  16.030  10.199  10.199
  914   3HB   ALA 120           HB3      ALA 120  16.698   9.802   9.802

  Start of MODEL    9
    1   1H    ASP   1           HT3      ASP   1  -4.108  11.443  11.443
    2   2H    ASP   1           HT2      ASP   1  -4.932  10.254  10.254
    3   3H    ASP   1           HT1      ASP   1  -5.022  11.885  11.885
    4    HA   ASP   1           HA       ASP   1  -2.770  11.922  11.922
    5   1HB   ASP   1           HB2      ASP   1  -3.193   9.385   9.385
    6   2HB   ASP   1           HB1      ASP   1  -4.786  10.080  10.080
    7    H    ALA   2           HN       ALA   2  -3.613   8.935   8.935
    8    HA   ALA   2           HA       ALA   2  -0.772   8.665   8.665
    9   1HB   ALA   2           HB1      ALA   2  -1.452   7.378   7.378
   10   2HB   ALA   2           HB3      ALA   2  -2.281   6.288   6.288
   11   3HB   ALA   2           HB2      ALA   2  -0.538   6.521   6.521
   12    HA   PRO   3           HA       PRO   3  -2.886   7.605   7.605
   13   1HB   PRO   3           HB2      PRO   3  -0.792   6.505   6.505
   14   2HB   PRO   3           HB1      PRO   3  -0.977   8.252   8.252
   15   1HG   PRO   3           HG2      PRO   3   0.768   6.304   6.304
   16   2HG   PRO   3           HG1      PRO   3   1.096   7.977   7.977
   17   1HD   PRO   3           HD2      PRO   3   0.431   7.219   7.219
   18   2HD   PRO   3           HD1      PRO   3   0.121   8.836   8.836
   19    H    GLU   4           HN       GLU   4  -3.965   5.773   5.773
   20    HA   GLU   4           HA       GLU   4  -3.866   3.336   3.336
   21   1HB   GLU   4           HB1      GLU   4  -5.802   4.377   4.377
   22   2HB   GLU   4           HB2      GLU   4  -5.036   3.800   3.800
   23   1HG   GLU   4           HG2      GLU   4  -6.684   2.337   2.337
   24   2HG   GLU   4           HG1      GLU   4  -5.980   1.783   1.783
   25    H    GLU   5           HN       GLU   5  -3.120   1.250   1.250
   26    HA   GLU   5           HA       GLU   5  -1.671   0.910   0.910
   27   1HB   GLU   5           HB1      GLU   5   0.532   0.632   0.632
   28   2HB   GLU   5           HB2      GLU   5  -0.106   2.250   2.250
   29   1HG   GLU   5           HG2      GLU   5  -1.033   1.390   1.390
   30   2HG   GLU   5           HG1      GLU   5  -0.141  -0.105  -0.105
   31    H    GLU   6           HN       GLU   6  -1.171  -1.337  -1.337
   32    HA   GLU   6           HA       GLU   6  -2.247  -3.182  -3.182
   33   1HB   GLU   6           HB2      GLU   6  -2.516  -3.000  -3.000
   34   2HB   GLU   6           HB1      GLU   6  -2.686  -4.565  -4.565
   35   1HG   GLU   6           HG2      GLU   6  -4.268  -2.068  -2.068
   36   2HG   GLU   6           HG1      GLU   6  -4.878  -3.444  -3.444
   37    H    ASP   7           HN       ASP   7  -0.783  -4.665  -4.665
   38    HA   ASP   7           HA       ASP   7   1.196  -5.935  -5.935
   39   1HB   ASP   7           HB1      ASP   7   0.539  -5.936  -5.936
   40   2HB   ASP   7           HB2      ASP   7   1.812  -6.943  -6.943
   41    H    HIS   8           HN       HIS   8   2.146  -4.749  -4.749
   42    HA   HIS   8           HA       HIS   8   4.099  -2.890  -2.890
   43   1HB   HIS   8           HB1      HIS   8   4.552  -5.203  -5.203
   44   2HB   HIS   8           HB2      HIS   8   5.727  -3.895  -3.895
   45    HD1  HIS   8           HD1      HIS   8   4.288  -6.797  -6.797
   46    HD2  HIS   8           HD2      HIS   8   7.070  -3.763  -3.763
   47    HE1  HIS   8           HE1      HIS   8   5.539  -7.420  -7.420
   48    H    VAL   9           HN       VAL   9   1.601  -3.075  -3.075
   49    HA   VAL   9           HA       VAL   9   2.812  -1.046  -1.046
   50    HB   VAL   9           HB       VAL   9   0.456  -2.855  -2.855
   51   1HG1  VAL   9          HG12      VAL   9   2.247  -0.988  -0.988
   52   2HG1  VAL   9          HG11      VAL   9   1.632  -2.404  -2.404
   53   3HG1  VAL   9          HG13      VAL   9   0.508  -1.237  -1.237
   54   1HG2  VAL   9          HG22      VAL   9   3.381  -3.461  -3.461
   55   2HG2  VAL   9          HG21      VAL   9   2.018  -4.538  -4.538
   56   3HG2  VAL   9          HG23      VAL   9   2.405  -4.042  -4.042
   57    H    LEU  10           HN       LEU  10   0.973   0.414   0.414
   58    HA   LEU  10           HA       LEU  10  -0.635   1.365   1.365
   59   1HB   LEU  10           HB2      LEU  10   0.789   2.512   2.512
   60   2HB   LEU  10           HB1      LEU  10  -0.903   2.901   2.901
   61    HG   LEU  10           HG       LEU  10  -0.217   3.212   3.212
   62   1HD1  LEU  10          HD13      LEU  10   2.036   3.642   3.642
   63   2HD1  LEU  10          HD12      LEU  10   1.264   5.078   5.078
   64   3HD1  LEU  10          HD11      LEU  10   1.434   4.907   4.907
   65   1HD2  LEU  10          HD23      LEU  10  -1.915   4.320   4.320
   66   2HD2  LEU  10          HD22      LEU  10  -1.730   4.872   4.872
   67   3HD2  LEU  10          HD21      LEU  10  -0.792   5.627   5.627
   68    H    VAL  11           HN       VAL  11  -2.688   2.554   2.554
   69    HA   VAL  11           HA       VAL  11  -4.199   0.769   0.769
   70    HB   VAL  11           HB       VAL  11  -4.933   1.308   1.308
   71   1HG1  VAL  11          HG11      VAL  11  -6.589   0.777   0.777
   72   2HG1  VAL  11          HG13      VAL  11  -6.604  -0.646  -0.646
   73   3HG1  VAL  11          HG12      VAL  11  -7.071   0.926   0.926
   74   1HG2  VAL  11          HG23      VAL  11  -4.055  -1.152  -1.152
   75   2HG2  VAL  11          HG22      VAL  11  -3.320  -0.448  -0.448
   76   3HG2  VAL  11          HG21      VAL  11  -4.884  -1.255  -1.255
   77    H    LEU  12           HN       LEU  12  -5.786   1.976   1.976
   78    HA   LEU  12           HA       LEU  12  -5.950   4.863   4.863
   79   1HB   LEU  12           HB1      LEU  12  -6.537   3.442   3.442
   80   2HB   LEU  12           HB2      LEU  12  -6.496   5.187   5.187
   81    HG   LEU  12           HG       LEU  12  -4.162   3.286   3.286
   82   1HD1  LEU  12          HD22      LEU  12  -5.030   5.147   5.147
   83   2HD1  LEU  12          HD21      LEU  12  -3.306   4.929   4.929
   84   3HD1  LEU  12          HD23      LEU  12  -4.311   3.542   3.542
   85   1HD2  LEU  12          HD12      LEU  12  -4.526   6.246   6.246
   86   2HD2  LEU  12          HD11      LEU  12  -3.859   5.038   5.038
   87   3HD2  LEU  12          HD13      LEU  12  -2.935   5.554   5.554
   88    H    ARG  13           HN       ARG  13  -8.105   5.884   5.884
   89    HA   ARG  13           HA       ARG  13 -10.451   4.083   4.083
   90   1HB   ARG  13           HB2      ARG  13  -9.304   5.823   5.823
   91   2HB   ARG  13           HB1      ARG  13 -11.030   6.071   6.071
   92   1HG   ARG  13           HG2      ARG  13 -10.692   3.286   3.286
   93   2HG   ARG  13           HG1      ARG  13  -9.669   3.846   3.846
   94   1HD   ARG  13           HD1      ARG  13 -12.019   5.348   5.348
   95   2HD   ARG  13           HD2      ARG  13 -12.575   3.710   3.710
   96    HE   ARG  13           HE       ARG  13 -11.051   4.485   4.485
   97   1HH1  ARG  13          HH21      ARG  13  -9.537   2.200   2.200
   98   2HH1  ARG  13          HH22      ARG  13 -10.381   0.832   0.832
   99   1HH2  ARG  13          HH11      ARG  13 -13.234   2.636   2.636
  100   2HH2  ARG  13          HH12      ARG  13 -12.473   1.079   1.079
  101    H    LYS  14           HN       LYS  14 -12.508   5.588   5.588
  102    HA   LYS  14           HA       LYS  14 -12.699   6.937   6.937
  103   1HB   LYS  14           HB2      LYS  14 -14.132   7.047   7.047
  104   2HB   LYS  14           HB1      LYS  14 -14.604   8.171   8.171
  105   1HG   LYS  14           HG1      LYS  14 -15.556   6.531   6.531
  106   2HG   LYS  14           HG2      LYS  14 -14.253   5.392   5.392
  107   1HD   LYS  14           HD2      LYS  14 -15.430   4.411   4.411
  108   2HD   LYS  14           HD1      LYS  14 -15.819   5.969   5.969
  109   1HE   LYS  14           HE2      LYS  14 -17.366   5.913   5.913
  110   2HE   LYS  14           HE1      LYS  14 -17.492   4.269   4.269
  111   1HZ   LYS  14           HZ3      LYS  14 -17.879   5.285   5.285
  112   2HZ   LYS  14           HZ2      LYS  14 -17.942   6.813   6.813
  113   3HZ   LYS  14           HZ1      LYS  14 -19.108   5.635   5.635
  114    H    SER  15           HN       SER  15 -11.549   8.256   8.256
  115    HA   SER  15           HA       SER  15 -11.176  10.916  10.916
  116   1HB   SER  15           HB1      SER  15 -12.723  10.649  10.649
  117   2HB   SER  15           HB2      SER  15 -11.292  10.262  10.262
  118    HG   SER  15           HG       SER  15 -11.331  12.374  12.374
  119    H    ASN  16           HN       ASN  16  -9.363   8.281   8.281
  120    HA   ASN  16           HA       ASN  16  -7.010   9.773   9.773
  121   1HB   ASN  16           HB1      ASN  16  -8.195   7.236   7.236
  122   2HB   ASN  16           HB2      ASN  16  -6.651   6.931   6.931
  123   1HD2  ASN  16          HD22      ASN  16  -5.744   7.081   7.081
  124   2HD2  ASN  16          HD21      ASN  16  -6.457   6.010   6.010
  125    H    PHE  17           HN       PHE  17  -8.217   8.010   8.010
  126    HA   PHE  17           HA       PHE  17  -5.869   7.379   7.379
  127   1HB   PHE  17           HB2      PHE  17  -8.244   6.828   6.828
  128   2HB   PHE  17           HB1      PHE  17  -8.469   8.493   8.493
  129    HD1  PHE  17           HD2      PHE  17  -7.092   9.387   9.387
  130    HD2  PHE  17           HD1      PHE  17  -7.150   5.227   5.227
  131    HE1  PHE  17           HE2      PHE  17  -6.146   8.808   8.808
  132    HE2  PHE  17           HE1      PHE  17  -6.204   4.647   4.647
  133    HZ   PHE  17           HZ       PHE  17  -5.718   6.450   6.450
  134    H    ALA  18           HN       ALA  18  -7.816  10.330  10.330
  135    HA   ALA  18           HA       ALA  18  -5.954  11.674  11.674
  136   1HB   ALA  18           HB3      ALA  18  -8.441  12.116  12.116
  137   2HB   ALA  18           HB2      ALA  18  -7.747  13.079  13.079
  138   3HB   ALA  18           HB1      ALA  18  -7.411  13.497  13.497
  139    H    GLU  19           HN       GLU  19  -5.814  11.133  11.133
  140    HA   GLU  19           HA       GLU  19  -3.989  13.408  13.408
  141   1HB   GLU  19           HB2      GLU  19  -5.784  12.672  12.672
  142   2HB   GLU  19           HB1      GLU  19  -4.933  11.144  11.144
  143   1HG   GLU  19           HG2      GLU  19  -3.472  12.064  12.064
  144   2HG   GLU  19           HG1      GLU  19  -3.133  13.400  13.400
  145    H    ALA  20           HN       ALA  20  -3.846   9.882   9.882
  146    HA   ALA  20           HA       ALA  20  -1.119   9.606   9.606
  147   1HB   ALA  20           HB2      ALA  20  -3.187   7.954   7.954
  148   2HB   ALA  20           HB1      ALA  20  -2.517   7.632   7.632
  149   3HB   ALA  20           HB3      ALA  20  -1.541   7.341   7.341
  150    H    LEU  21           HN       LEU  21  -2.693  10.008  10.008
  151    HA   LEU  21           HA       LEU  21  -0.421   9.341   9.341
  152   1HB   LEU  21           HB2      LEU  21  -3.119  10.246  10.246
  153   2HB   LEU  21           HB1      LEU  21  -2.099  11.314  11.314
  154    HG   LEU  21           HG       LEU  21  -1.136   8.694   8.694
  155   1HD1  LEU  21          HD13      LEU  21  -3.344   7.952   7.952
  156   2HD1  LEU  21          HD12      LEU  21  -4.142   8.848   8.848
  157   3HD1  LEU  21          HD11      LEU  21  -3.101   7.480   7.480
  158   1HD2  LEU  21          HD21      LEU  21  -2.611  10.802  10.802
  159   2HD2  LEU  21          HD23      LEU  21  -0.989  10.160  10.160
  160   3HD2  LEU  21          HD22      LEU  21  -2.398   9.215   9.215
  161    H    ALA  22           HN       ALA  22  -1.777  12.554  12.554
  162    HA   ALA  22           HA       ALA  22   0.616  13.942  13.942
  163   1HB   ALA  22           HB2      ALA  22  -2.092  14.490  14.490
  164   2HB   ALA  22           HB1      ALA  22  -1.026  15.553  15.553
  165   3HB   ALA  22           HB3      ALA  22  -0.963  15.551  15.551
  166    H    ALA  23           HN       ALA  23  -0.280  12.381  12.381
  167    HA   ALA  23           HA       ALA  23   1.202  14.041  14.041
  168   1HB   ALA  23           HB3      ALA  23  -0.118  11.348  11.348
  169   2HB   ALA  23           HB2      ALA  23   0.953  11.728  11.728
  170   3HB   ALA  23           HB1      ALA  23  -0.463  12.732  12.732
  171    H    HIS  24           HN       HIS  24   2.134  11.658  11.658
  172    HA   HIS  24           HA       HIS  24   4.910  11.702  11.702
  173   1HB   HIS  24           HB1      HIS  24   3.068   9.557   9.557
  174   2HB   HIS  24           HB2      HIS  24   4.234   9.123   9.123
  175    HD1  HIS  24           HD1      HIS  24   6.036   7.749   7.749
  176    HD2  HIS  24           HD2      HIS  24   4.831  10.831  10.831
  177    HE1  HIS  24           HE1      HIS  24   7.522   7.616   7.616
  178    H    LYS  25           HN       LYS  25   6.434  10.657  10.657
  179    HA   LYS  25           HA       LYS  25   5.776  11.900  11.900
  180   1HB   LYS  25           HB2      LYS  25   8.129  11.249  11.249
  181   2HB   LYS  25           HB1      LYS  25   8.341  10.824  10.824
  182   1HG   LYS  25           HG2      LYS  25   9.020  13.057  13.057
  183   2HG   LYS  25           HG1      LYS  25   7.319  13.208  13.208
  184   1HD   LYS  25           HD2      LYS  25   7.677  14.808  14.808
  185   2HD   LYS  25           HD1      LYS  25   6.839  13.457  13.457
  186   1HE   LYS  25           HE2      LYS  25   9.441  12.670  12.670
  187   2HE   LYS  25           HE1      LYS  25   9.597  14.434  14.434
  188   1HZ   LYS  25           HZ1      LYS  25   7.550  14.294  14.294
  189   2HZ   LYS  25           HZ3      LYS  25   7.857  12.629  12.629
  190   3HZ   LYS  25           HZ2      LYS  25   9.010  13.741  13.741
  191    H    TYR  26           HN       TYR  26   6.872   8.741   8.741
  192    HA   TYR  26           HA       TYR  26   5.928   7.474   7.474
  193   1HB   TYR  26           HB2      TYR  26   7.968   6.450   6.450
  194   2HB   TYR  26           HB1      TYR  26   7.654   5.812   5.812
  195    HD1  TYR  26           HD2      TYR  26   7.762   7.760   7.760
  196    HD2  TYR  26           HD1      TYR  26   9.858   7.766   7.766
  197    HE1  TYR  26           HE2      TYR  26   9.436   9.332   9.332
  198    HE2  TYR  26           HE1      TYR  26  11.532   9.339   9.339
  199    HH   TYR  26           HH       TYR  26  12.322   9.816   9.816
  200    H    LEU  27           HN       LEU  27   3.925   6.604   6.604
  201    HA   LEU  27           HA       LEU  27   3.636   5.076   5.076
  202   1HB   LEU  27           HB2      LEU  27   2.614   7.385   7.385
  203   2HB   LEU  27           HB1      LEU  27   1.554   6.819   6.819
  204    HG   LEU  27           HG       LEU  27   1.026   4.866   4.866
  205   1HD1  LEU  27          HD13      LEU  27   2.895   6.182   6.182
  206   2HD1  LEU  27          HD12      LEU  27   1.397   6.865   6.865
  207   3HD1  LEU  27          HD11      LEU  27   1.655   5.120   5.120
  208   1HD2  LEU  27          HD21      LEU  27  -0.318   7.070   7.070
  209   2HD2  LEU  27          HD23      LEU  27  -0.943   5.960   5.960
  210   3HD2  LEU  27          HD22      LEU  27  -0.124   7.441   7.441
  211    H    LEU  28           HN       LEU  28   2.634   3.096   3.096
  212    HA   LEU  28           HA       LEU  28   1.631   2.387   2.387
  213   1HB   LEU  28           HB1      LEU  28   3.722   1.296   1.296
  214   2HB   LEU  28           HB2      LEU  28   2.606   0.512   0.512
  215    HG   LEU  28           HG       LEU  28   3.178  -0.897  -0.897
  216   1HD1  LEU  28          HD22      LEU  28   0.800  -0.633  -0.633
  217   2HD1  LEU  28          HD21      LEU  28   0.299  -0.308  -0.308
  218   3HD1  LEU  28          HD23      LEU  28   1.095  -1.830  -1.830
  219   1HD2  LEU  28          HD11      LEU  28   2.826   1.478   1.478
  220   2HD2  LEU  28          HD13      LEU  28   2.978  -0.126  -0.126
  221   3HD2  LEU  28          HD12      LEU  28   1.381   0.549   0.549
  222    H    VAL  29           HN       VAL  29  -0.471   1.632   1.632
  223    HA   VAL  29           HA       VAL  29  -1.939   1.167   1.167
  224    HB   VAL  29           HB       VAL  29  -2.840   2.530   2.530
  225   1HG1  VAL  29          HG23      VAL  29  -4.257   1.872   1.872
  226   2HG1  VAL  29          HG22      VAL  29  -4.836   3.119   3.119
  227   3HG1  VAL  29          HG21      VAL  29  -4.745   1.441   1.441
  228   1HG2  VAL  29          HG12      VAL  29  -1.232   3.779   3.779
  229   2HG2  VAL  29          HG11      VAL  29  -2.790   4.570   4.570
  230   3HG2  VAL  29          HG13      VAL  29  -2.471   3.693   3.693
  231    H    GLU  30           HN       GLU  30  -3.399  -0.552  -0.552
  232    HA   GLU  30           HA       GLU  30  -3.566  -2.192  -2.192
  233   1HB   GLU  30           HB1      GLU  30  -2.008  -3.187  -3.187
  234   2HB   GLU  30           HB2      GLU  30  -3.187  -3.028  -3.028
  235   1HG   GLU  30           HG2      GLU  30  -4.640  -4.652  -4.652
  236   2HG   GLU  30           HG1      GLU  30  -3.725  -4.640  -4.640
  237    H    PHE  31           HN       PHE  31  -5.682  -2.513  -2.513
  238    HA   PHE  31           HA       PHE  31  -7.816  -1.937  -1.937
  239   1HB   PHE  31           HB1      PHE  31  -7.516  -1.843  -1.843
  240   2HB   PHE  31           HB2      PHE  31  -9.128  -1.942  -1.942
  241    HD1  PHE  31           HD2      PHE  31  -6.005   0.059   0.059
  242    HD2  PHE  31           HD1      PHE  31 -10.108  -0.064  -0.064
  243    HE1  PHE  31           HE2      PHE  31  -5.925   2.488   2.488
  244    HE2  PHE  31           HE1      PHE  31 -10.028   2.365   2.365
  245    HZ   PHE  31           HZ       PHE  31  -7.937   3.642   3.642
  246    H    TYR  32           HN       TYR  32  -8.551  -3.820  -3.820
  247    HA   TYR  32           HA       TYR  32  -9.461  -6.002  -6.002
  248   1HB   TYR  32           HB1      TYR  32  -8.070  -7.684  -7.684
  249   2HB   TYR  32           HB2      TYR  32  -7.006  -6.343  -6.343
  250    HD1  TYR  32           HD2      TYR  32  -6.938  -4.476  -4.476
  251    HD2  TYR  32           HD1      TYR  32  -7.744  -8.671  -8.671
  252    HE1  TYR  32           HE2      TYR  32  -6.253  -4.358  -4.358
  253    HE2  TYR  32           HE1      TYR  32  -7.054  -8.553  -8.553
  254    HH   TYR  32           HH       TYR  32  -7.011  -6.480  -6.480
  255    H    ALA  33           HN       ALA  33  -9.956  -7.921  -7.921
  256    HA   ALA  33           HA       ALA  33 -11.576  -6.602  -6.602
  257   1HB   ALA  33           HB3      ALA  33 -12.688  -7.253  -7.253
  258   2HB   ALA  33           HB2      ALA  33 -12.799  -8.826  -8.826
  259   3HB   ALA  33           HB1      ALA  33 -13.567  -7.417  -7.417
  260    HA   PRO  34           HA       PRO  34 -10.284 -10.017 -10.017
  261   1HB   PRO  34           HB2      PRO  34 -12.534 -10.635 -10.635
  262   2HB   PRO  34           HB1      PRO  34 -11.545  -9.196  -9.196
  263   1HG   PRO  34           HG2      PRO  34 -14.098  -9.452  -9.452
  264   2HG   PRO  34           HG1      PRO  34 -13.593  -8.195  -8.195
  265   1HD   PRO  34           HD2      PRO  34 -13.494  -7.839  -7.839
  266   2HD   PRO  34           HD1      PRO  34 -12.335  -7.079  -7.079
  267    H    TRP  35           HN       TRP  35 -12.943 -10.395 -10.395
  268    HA   TRP  35           HA       TRP  35 -12.619 -13.377 -13.377
  269   1HB   TRP  35           HB2      TRP  35 -14.986 -13.423 -13.423
  270   2HB   TRP  35           HB1      TRP  35 -14.811 -12.548 -12.548
  271    HD1  TRP  35           HD1      TRP  35 -15.182  -9.944  -9.944
  272    HE1  TRP  35           HE1      TRP  35 -16.215  -8.332  -8.332
  273    HE3  TRP  35           HE3      TRP  35 -15.272 -12.985 -12.985
  274    HZ2  TRP  35           HZ2      TRP  35 -16.978  -8.334  -8.334
  275    HZ3  TRP  35           HZ3      TRP  35 -16.155 -12.156 -12.156
  276    HH2  TRP  35           HH2      TRP  35 -17.007  -9.837  -9.837
  277    H    CYS  36           HN       CYS  36 -11.463 -10.955 -10.955
  278    HA   CYS  36           HA       CYS  36 -12.332 -11.293 -11.293
  279   1HB   CYS  36           HB2      CYS  36 -10.434  -9.975  -9.975
  280   2HB   CYS  36           HB1      CYS  36 -10.821  -9.529  -9.529
  281    H    GLY  37           HN       GLY  37 -10.814 -12.257 -12.257
  282   1HA   GLY  37           HA2      GLY  37 -10.507 -15.085 -15.085
  283   2HA   GLY  37           HA1      GLY  37  -9.985 -14.248 -14.248
  284    H    HIS  38           HN       HIS  38  -8.917 -15.759 -15.759
  285    HA   HIS  38           HA       HIS  38  -6.771 -15.969 -15.969
  286   1HB   HIS  38           HB2      HIS  38  -5.971 -14.878 -14.878
  287   2HB   HIS  38           HB1      HIS  38  -4.950 -15.795 -15.795
  288    HD1  HIS  38           HD1      HIS  38  -4.868 -18.240 -18.240
  289    HD2  HIS  38           HD2      HIS  38  -8.426 -16.543 -16.543
  290    HE1  HIS  38           HE1      HIS  38  -6.165 -20.100 -20.100
  291    H    CYS  39           HN       CYS  39  -7.117 -14.284 -14.284
  292    HA   CYS  39           HA       CYS  39  -6.133 -11.560 -11.560
  293   1HB   CYS  39           HB2      CYS  39  -7.515 -12.531 -12.531
  294   2HB   CYS  39           HB1      CYS  39  -7.327 -10.862 -10.862
  295    H    LYS  40           HN       LYS  40  -5.530 -14.329 -14.329
  296    HA   LYS  40           HA       LYS  40  -3.370 -12.983 -12.983
  297   1HB   LYS  40           HB2      LYS  40  -4.306 -15.871 -15.871
  298   2HB   LYS  40           HB1      LYS  40  -3.284 -15.141 -15.141
  299   1HG   LYS  40           HG1      LYS  40  -6.091 -14.198 -14.198
  300   2HG   LYS  40           HG2      LYS  40  -5.703 -15.306 -15.306
  301   1HD   LYS  40           HD2      LYS  40  -3.937 -13.037 -13.037
  302   2HD   LYS  40           HD1      LYS  40  -5.605 -12.470 -12.470
  303   1HE   LYS  40           HE2      LYS  40  -6.188 -14.046 -14.046
  304   2HE   LYS  40           HE1      LYS  40  -4.464 -14.444 -14.444
  305   1HZ   LYS  40           HZ1      LYS  40  -5.616 -11.708 -11.708
  306   2HZ   LYS  40           HZ3      LYS  40  -5.069 -12.613 -12.613
  307   3HZ   LYS  40           HZ2      LYS  40  -3.969 -12.101 -12.101
  308    H    ALA  41           HN       ALA  41  -3.716 -14.831 -14.831
  309    HA   ALA  41           HA       ALA  41  -1.343 -16.283 -16.283
  310   1HB   ALA  41           HB1      ALA  41  -3.373 -15.752 -15.752
  311   2HB   ALA  41           HB3      ALA  41  -2.304 -14.496 -14.496
  312   3HB   ALA  41           HB2      ALA  41  -1.811 -16.188 -16.188
  313    H    LEU  42           HN       LEU  42  -1.739 -12.798 -12.798
  314    HA   LEU  42           HA       LEU  42   1.230 -12.506 -12.506
  315   1HB   LEU  42           HB2      LEU  42  -0.402 -11.827 -11.827
  316   2HB   LEU  42           HB1      LEU  42  -0.741 -10.430 -10.430
  317    HG   LEU  42           HG       LEU  42   1.703  -9.952  -9.952
  318   1HD1  LEU  42          HD11      LEU  42   1.768 -12.387 -12.387
  319   2HD1  LEU  42          HD13      LEU  42   3.052 -11.180 -11.180
  320   3HD1  LEU  42          HD12      LEU  42   2.730 -12.054 -12.054
  321   1HD2  LEU  42          HD22      LEU  42   0.037  -9.890  -9.890
  322   2HD2  LEU  42          HD21      LEU  42   0.964  -8.597  -8.597
  323   3HD2  LEU  42          HD23      LEU  42   1.767  -9.744  -9.744
  324    H    ALA  43           HN       ALA  43  -0.733 -12.611 -12.611
  325    HA   ALA  43           HA       ALA  43  -0.863  -9.931  -9.931
  326   1HB   ALA  43           HB3      ALA  43  -1.557 -12.716 -12.716
  327   2HB   ALA  43           HB2      ALA  43  -1.188 -11.683 -11.683
  328   3HB   ALA  43           HB1      ALA  43  -2.472 -11.230 -11.230
  329    HA   PRO  44           HA       PRO  44   2.716 -11.437 -11.437
  330   1HB   PRO  44           HB2      PRO  44   3.984 -13.778 -13.778
  331   2HB   PRO  44           HB1      PRO  44   2.590 -13.691 -13.691
  332   1HG   PRO  44           HG2      PRO  44   2.713 -14.474 -14.474
  333   2HG   PRO  44           HG1      PRO  44   1.737 -15.150 -15.150
  334   1HD   PRO  44           HD1      PRO  44   0.763 -13.435 -13.435
  335   2HD   PRO  44           HD2      PRO  44   0.091 -13.584 -13.584
  336    H    GLU  45           HN       GLU  45   2.693 -11.361 -11.361
  337    HA   GLU  45           HA       GLU  45   5.648 -11.054 -11.054
  338   1HB   GLU  45           HB2      GLU  45   3.368 -11.086 -11.086
  339   2HB   GLU  45           HB1      GLU  45   5.078 -11.000 -11.000
  340   1HG   GLU  45           HG2      GLU  45   4.892 -13.277 -13.277
  341   2HG   GLU  45           HG1      GLU  45   5.106 -13.151 -13.151
  342    H    TYR  46           HN       TYR  46   2.602  -9.317  -9.317
  343    HA   TYR  46           HA       TYR  46   3.853  -6.790  -6.790
  344   1HB   TYR  46           HB2      TYR  46   1.726  -7.012  -7.012
  345   2HB   TYR  46           HB1      TYR  46   1.164  -7.988  -7.988
  346    HD1  TYR  46           HD2      TYR  46   1.897  -4.527  -4.527
  347    HD2  TYR  46           HD1      TYR  46   0.011  -6.994  -6.994
  348    HE1  TYR  46           HE2      TYR  46   0.793  -2.525  -2.525
  349    HE2  TYR  46           HE1      TYR  46  -1.088  -5.000  -5.000
  350    HH   TYR  46           HH       TYR  46  -1.147  -1.974  -1.974
  351    H    ALA  47           HN       ALA  47   3.198  -8.466  -8.466
  352    HA   ALA  47           HA       ALA  47   3.152  -6.025  -6.025
  353   1HB   ALA  47           HB3      ALA  47   3.161  -8.999  -8.999
  354   2HB   ALA  47           HB2      ALA  47   2.954  -7.737  -7.737
  355   3HB   ALA  47           HB1      ALA  47   1.746  -7.948  -7.948
  356    H    LYS  48           HN       LYS  48   5.437  -8.450  -8.450
  357    HA   LYS  48           HA       LYS  48   7.460  -7.748  -7.748
  358   1HB   LYS  48           HB2      LYS  48   6.871  -9.855  -9.855
  359   2HB   LYS  48           HB1      LYS  48   8.477  -9.239  -9.239
  360   1HG   LYS  48           HG2      LYS  48   9.243 -10.489 -10.489
  361   2HG   LYS  48           HG1      LYS  48   8.453  -9.330  -9.330
  362   1HD   LYS  48           HD2      LYS  48   6.431 -11.084 -11.084
  363   2HD   LYS  48           HD1      LYS  48   7.788 -12.091 -12.091
  364   1HE   LYS  48           HE2      LYS  48   6.707  -9.847  -9.847
  365   2HE   LYS  48           HE1      LYS  48   6.124 -11.520 -11.520
  366   1HZ   LYS  48           HZ1      LYS  48   8.554 -12.156 -12.156
  367   2HZ   LYS  48           HZ3      LYS  48   8.885 -10.517 -10.517
  368   3HZ   LYS  48           HZ2      LYS  48   7.922 -11.387 -11.387
  369    H    ALA  49           HN       ALA  49   6.864  -7.182  -7.182
  370    HA   ALA  49           HA       ALA  49   9.315  -5.905  -5.905
  371   1HB   ALA  49           HB1      ALA  49   6.495  -5.955  -5.955
  372   2HB   ALA  49           HB3      ALA  49   7.562  -4.711  -4.711
  373   3HB   ALA  49           HB2      ALA  49   7.980  -6.414  -6.414
  374    H    ALA  50           HN       ALA  50   6.358  -4.634  -4.634
  375    HA   ALA  50           HA       ALA  50   7.133  -1.846  -1.846
  376   1HB   ALA  50           HB3      ALA  50   4.874  -3.290  -3.290
  377   2HB   ALA  50           HB2      ALA  50   5.348  -2.803  -2.803
  378   3HB   ALA  50           HB1      ALA  50   5.055  -1.580  -1.580
  379    H    GLY  51           HN       GLY  51   7.719  -4.491  -4.491
  380   1HA   GLY  51           HA2      GLY  51   8.716  -2.757  -2.757
  381   2HA   GLY  51           HA1      GLY  51   8.829  -4.517  -4.517
  382    H    LYS  52           HN       LYS  52  10.025  -4.337  -4.337
  383    HA   LYS  52           HA       LYS  52  12.779  -4.479  -4.479
  384   1HB   LYS  52           HB2      LYS  52  11.221  -4.038  -4.038
  385   2HB   LYS  52           HB1      LYS  52  12.979  -4.185  -4.185
  386   1HG   LYS  52           HG2      LYS  52  12.417  -6.330  -6.330
  387   2HG   LYS  52           HG1      LYS  52  10.906  -6.247  -6.247
  388   1HD   LYS  52           HD2      LYS  52  12.506  -5.953  -5.953
  389   2HD   LYS  52           HD1      LYS  52  13.700  -6.697  -6.697
  390   1HE   LYS  52           HE2      LYS  52  12.817  -8.727  -8.727
  391   2HE   LYS  52           HE1      LYS  52  11.272  -8.200  -8.200
  392   1HZ   LYS  52           HZ3      LYS  52  12.198  -7.579  -7.579
  393   2HZ   LYS  52           HZ2      LYS  52  11.061  -8.778  -8.778
  394   3HZ   LYS  52           HZ1      LYS  52  10.705  -7.142  -7.142
  395    H    LEU  53           HN       LEU  53  10.750  -1.720  -1.720
  396    HA   LEU  53           HA       LEU  53  13.004   0.098   0.098
  397   1HB   LEU  53           HB2      LEU  53  10.153   0.847   0.847
  398   2HB   LEU  53           HB1      LEU  53  11.285   1.720   1.720
  399    HG   LEU  53           HG       LEU  53  10.007  -0.952  -0.952
  400   1HD1  LEU  53          HD22      LEU  53   9.528   1.881   1.881
  401   2HD1  LEU  53          HD21      LEU  53   9.114   0.523   0.523
  402   3HD1  LEU  53          HD23      LEU  53   8.353   0.681   0.681
  403   1HD2  LEU  53          HD12      LEU  53  12.397  -0.546  -0.546
  404   2HD2  LEU  53          HD11      LEU  53  11.198  -0.899  -0.899
  405   3HD2  LEU  53          HD13      LEU  53  11.729   0.761   0.761
  406    H    LYS  54           HN       LYS  54  10.673  -0.533  -0.533
  407    HA   LYS  54           HA       LYS  54  11.312   1.456   1.456
  408   1HB   LYS  54           HB2      LYS  54   9.511  -0.199  -0.199
  409   2HB   LYS  54           HB1      LYS  54  10.699  -1.488  -1.488
  410   1HG   LYS  54           HG2      LYS  54  11.128  -0.932  -0.932
  411   2HG   LYS  54           HG1      LYS  54  11.014   0.800   0.800
  412   1HD   LYS  54           HD2      LYS  54   8.502   0.477   0.477
  413   2HD   LYS  54           HD1      LYS  54   8.740  -1.151  -1.151
  414   1HE   LYS  54           HE2      LYS  54   8.891  -0.363  -0.363
  415   2HE   LYS  54           HE1      LYS  54  10.129   0.816   0.816
  416   1HZ   LYS  54           HZ1      LYS  54   7.264   1.154   1.154
  417   2HZ   LYS  54           HZ3      LYS  54   7.930   1.773   1.773
  418   3HZ   LYS  54           HZ2      LYS  54   8.501   2.317   2.317
  419    H    ALA  55           HN       ALA  55  13.138  -1.457  -1.457
  420    HA   ALA  55           HA       ALA  55  15.066  -0.980  -0.980
  421   1HB   ALA  55           HB3      ALA  55  14.050  -3.191  -3.191
  422   2HB   ALA  55           HB2      ALA  55  15.739  -3.060  -3.060
  423   3HB   ALA  55           HB1      ALA  55  15.324  -3.218  -3.218
  424    H    GLU  56           HN       GLU  56  14.755  -0.554  -0.554
  425    HA   GLU  56           HA       GLU  56  17.625  -0.048  -0.048
  426   1HB   GLU  56           HB1      GLU  56  15.162  -0.416  -0.416
  427   2HB   GLU  56           HB2      GLU  56  16.241   0.802   0.802
  428   1HG   GLU  56           HG2      GLU  56  17.684  -1.573  -1.573
  429   2HG   GLU  56           HG1      GLU  56  16.484  -1.951  -1.951
  430    H    GLY  57           HN       GLY  57  14.632   1.883   1.883
  431   1HA   GLY  57           HA1      GLY  57  14.614   4.112   4.112
  432   2HA   GLY  57           HA2      GLY  57  16.281   4.306   4.306
  433    H    SER  58           HN       SER  58  14.050   2.820   2.820
  434    HA   SER  58           HA       SER  58  14.492   4.780   4.780
  435   1HB   SER  58           HB1      SER  58  13.341   2.240   2.240
  436   2HB   SER  58           HB2      SER  58  12.020   3.260   3.260
  437    HG   SER  58           HG       SER  58  14.587   3.146   3.146
  438    H    GLU  59           HN       GLU  59  12.852   6.251   6.251
  439    HA   GLU  59           HA       GLU  59  11.136   7.445   7.445
  440   1HB   GLU  59           HB1      GLU  59  11.223   9.424   9.424
  441   2HB   GLU  59           HB2      GLU  59  12.850   8.815   8.815
  442   1HG   GLU  59           HG2      GLU  59  12.364   9.392   9.392
  443   2HG   GLU  59           HG1      GLU  59  12.924   7.741   7.741
  444    H    ILE  60           HN       ILE  60  10.541   5.035   5.035
  445    HA   ILE  60           HA       ILE  60   8.132   6.122   6.122
  446    HB   ILE  60           HB       ILE  60   9.398   3.366   3.366
  447   1HG1  ILE  60          HG12      ILE  60   9.947   4.675   4.675
  448   2HG1  ILE  60          HG11      ILE  60  10.248   5.902   5.902
  449   1HG2  ILE  60          HG23      ILE  60   7.177   4.722   4.722
  450   2HG2  ILE  60          HG22      ILE  60   8.219   3.653   3.653
  451   3HG2  ILE  60          HG21      ILE  60   7.349   3.029   3.029
  452   1HD1  ILE  60          HD12      ILE  60  11.294   3.134   3.134
  453   2HD1  ILE  60          HD11      ILE  60  12.143   4.164   4.164
  454   3HD1  ILE  60          HD13      ILE  60  11.956   4.683   4.683
  455    H    ARG  61           HN       ARG  61   6.140   4.633   4.633
  456    HA   ARG  61           HA       ARG  61   5.948   3.192   3.192
  457   1HB   ARG  61           HB2      ARG  61   4.819   5.832   5.832
  458   2HB   ARG  61           HB1      ARG  61   3.681   4.720   4.720
  459   1HG   ARG  61           HG2      ARG  61   5.823   4.327   4.327
  460   2HG   ARG  61           HG1      ARG  61   6.117   5.999   5.999
  461   1HD   ARG  61           HD2      ARG  61   3.500   6.218   6.218
  462   2HD   ARG  61           HD1      ARG  61   3.894   4.864   4.864
  463    HE   ARG  61           HE       ARG  61   5.956   6.802   6.802
  464   1HH1  ARG  61          HH11      ARG  61   3.037   8.113   8.113
  465   2HH1  ARG  61          HH12      ARG  61   2.819   8.427   8.427
  466   1HH2  ARG  61          HH21      ARG  61   5.497   6.456   6.456
  467   2HH2  ARG  61          HH22      ARG  61   4.211   7.489   7.489
  468    H    LEU  62           HN       LEU  62   4.316   1.620   1.620
  469    HA   LEU  62           HA       LEU  62   2.899   1.206   1.206
  470   1HB   LEU  62           HB1      LEU  62   4.117  -0.546  -0.546
  471   2HB   LEU  62           HB2      LEU  62   2.774  -1.185  -1.185
  472    HG   LEU  62           HG       LEU  62   3.991  -0.666  -0.666
  473   1HD1  LEU  62          HD11      LEU  62   5.912   0.534   0.534
  474   2HD1  LEU  62          HD13      LEU  62   6.538  -0.138  -0.138
  475   3HD1  LEU  62          HD12      LEU  62   5.358   1.172   1.172
  476   1HD2  LEU  62          HD23      LEU  62   5.135  -2.428  -2.428
  477   2HD2  LEU  62          HD22      LEU  62   4.493  -2.850  -2.850
  478   3HD2  LEU  62          HD21      LEU  62   6.113  -2.170  -2.170
  479    H    ALA  63           HN       ALA  63   0.645   0.375   0.375
  480    HA   ALA  63           HA       ALA  63  -0.656   0.510   0.510
  481   1HB   ALA  63           HB2      ALA  63  -0.231   2.874   2.874
  482   2HB   ALA  63           HB1      ALA  63  -1.729   2.430   2.430
  483   3HB   ALA  63           HB3      ALA  63  -1.689   2.558   2.558
  484    H    LYS  64           HN       LYS  64  -2.949  -0.109  -0.109
  485    HA   LYS  64           HA       LYS  64  -3.667  -1.410  -1.410
  486   1HB   LYS  64           HB1      LYS  64  -4.720  -3.183  -3.183
  487   2HB   LYS  64           HB2      LYS  64  -2.965  -3.141  -3.141
  488   1HG   LYS  64           HG2      LYS  64  -2.891  -1.989  -1.989
  489   2HG   LYS  64           HG1      LYS  64  -4.630  -1.694  -1.694
  490   1HD   LYS  64           HD2      LYS  64  -5.154  -3.916  -3.916
  491   2HD   LYS  64           HD1      LYS  64  -3.609  -4.516  -4.516
  492   1HE   LYS  64           HE1      LYS  64  -2.754  -2.907  -2.907
  493   2HE   LYS  64           HE2      LYS  64  -4.303  -3.478  -3.478
  494   1HZ   LYS  64           HZ2      LYS  64  -2.371  -5.296  -5.296
  495   2HZ   LYS  64           HZ1      LYS  64  -2.304  -4.987  -4.987
  496   3HZ   LYS  64           HZ3      LYS  64  -3.685  -5.708  -5.708
  497    H    VAL  65           HN       VAL  65  -6.093  -2.020  -2.020
  498    HA   VAL  65           HA       VAL  65  -7.727  -0.035  -0.035
  499    HB   VAL  65           HB       VAL  65  -7.606  -0.405  -0.405
  500   1HG1  VAL  65          HG11      VAL  65  -9.791   0.503   0.503
  501   2HG1  VAL  65          HG13      VAL  65  -9.355   1.684   1.684
  502   3HG1  VAL  65          HG12      VAL  65  -9.832   0.050   0.050
  503   1HG2  VAL  65          HG21      VAL  65  -6.635   1.600   1.600
  504   2HG2  VAL  65          HG23      VAL  65  -6.057   1.232   1.232
  505   3HG2  VAL  65          HG22      VAL  65  -7.463   2.274   2.274
  506    H    ASP  66           HN       ASP  66  -9.881  -0.745  -0.745
  507    HA   ASP  66           HA       ASP  66 -10.329  -3.626  -3.626
  508   1HB   ASP  66           HB2      ASP  66 -11.224  -1.675  -1.675
  509   2HB   ASP  66           HB1      ASP  66 -12.192  -3.117  -3.117
  510    H    ALA  67           HN       ALA  67 -11.199  -3.454  -3.454
  511    HA   ALA  67           HA       ALA  67 -12.985  -1.581  -1.581
  512   1HB   ALA  67           HB1      ALA  67 -12.246  -4.405  -4.405
  513   2HB   ALA  67           HB3      ALA  67 -13.836  -3.978  -3.978
  514   3HB   ALA  67           HB2      ALA  67 -12.406  -3.100  -3.100
  515    H    THR  68           HN       THR  68 -13.604  -4.091  -4.091
  516    HA   THR  68           HA       THR  68 -16.542  -3.808  -3.808
  517    HB   THR  68           HB       THR  68 -15.502  -6.003  -6.003
  518    HG1  THR  68           HG1      THR  68 -17.436  -5.889  -5.889
  519   1HG2  THR  68          HG22      THR  68 -14.187  -4.522  -4.522
  520   2HG2  THR  68          HG21      THR  68 -14.469  -6.257  -6.257
  521   3HG2  THR  68          HG23      THR  68 -13.476  -5.637  -5.637
  522    H    GLU  69           HN       GLU  69 -14.475  -1.667  -1.667
  523    HA   GLU  69           HA       GLU  69 -16.094  -0.955  -0.955
  524   1HB   GLU  69           HB2      GLU  69 -13.869  -2.128  -2.128
  525   2HB   GLU  69           HB1      GLU  69 -13.082  -0.704  -0.704
  526   1HG   GLU  69           HG1      GLU  69 -13.757   0.668   0.668
  527   2HG   GLU  69           HG2      GLU  69 -15.184  -0.307  -0.307
  528    HA   GLU  70           HA       GLU  70 -14.866   2.881   2.881
  529   1HB   GLU  70           HB1      GLU  70 -12.616   3.857   3.857
  530   2HB   GLU  70           HB2      GLU  70 -12.716   2.828   2.828
  531   1HG   GLU  70           HG2      GLU  70 -11.099   2.497   2.497
  532   2HG   GLU  70           HG1      GLU  70 -10.827   1.865   1.865
  533    HE1  GLU  70           HN       GLU  70 -13.436   0.242   0.242
  534    H    SER  71           HN       SER  71 -15.621   0.944   0.944
  535    HA   SER  71           HA       SER  71 -14.144   0.869   0.869
  536   1HB   SER  71           HB2      SER  71 -15.828  -0.698  -0.698
  537   2HB   SER  71           HB1      SER  71 -16.910   0.358   0.358
  538    HG   SER  71           HG       SER  71 -17.236  -0.179  -0.179
  539    H    ASP  72           HN       ASP  72 -15.879   3.470   3.470
  540    HA   ASP  72           HA       ASP  72 -16.995   4.937   4.937
  541   1HB   ASP  72           HB1      ASP  72 -15.840   5.384   5.384
  542   2HB   ASP  72           HB2      ASP  72 -15.571   6.773   6.773
  543    H    LEU  73           HN       LEU  73 -13.597   4.312   4.312
  544    HA   LEU  73           HA       LEU  73 -12.750   6.297   6.297
  545   1HB   LEU  73           HB1      LEU  73 -11.211   4.374   4.374
  546   2HB   LEU  73           HB2      LEU  73 -10.503   5.670   5.670
  547    HG   LEU  73           HG       LEU  73 -12.464   6.993   6.993
  548   1HD1  LEU  73          HD13      LEU  73 -11.828   4.522   4.522
  549   2HD1  LEU  73          HD12      LEU  73 -11.357   5.917   5.917
  550   3HD1  LEU  73          HD11      LEU  73 -13.022   5.752   5.752
  551   1HD2  LEU  73          HD22      LEU  73  -9.514   6.560   6.560
  552   2HD2  LEU  73          HD21      LEU  73 -10.329   7.967   7.967
  553   3HD2  LEU  73          HD23      LEU  73 -10.434   7.638   7.638
  554    H    ALA  74           HN       ALA  74 -12.894   2.803   2.803
  555    HA   ALA  74           HA       ALA  74 -11.444   2.000   2.000
  556   1HB   ALA  74           HB1      ALA  74 -12.760   0.857   0.857
  557   2HB   ALA  74           HB3      ALA  74 -13.542   0.168   0.168
  558   3HB   ALA  74           HB2      ALA  74 -11.799   0.007   0.007
  559    H    GLN  75           HN       GLN  75 -14.890   2.631   2.631
  560    HA   GLN  75           HA       GLN  75 -15.813   1.817   1.817
  561   1HB   GLN  75           HB2      GLN  75 -17.246   1.908   1.908
  562   2HB   GLN  75           HB1      GLN  75 -16.956   3.641   3.641
  563   1HG   GLN  75           HG1      GLN  75 -17.907   3.846   3.846
  564   2HG   GLN  75           HG2      GLN  75 -18.486   2.194   2.194
  565   1HE2  GLN  75          HE22      GLN  75 -21.032   4.771   4.771
  566   2HE2  GLN  75          HE21      GLN  75 -20.123   4.695   4.695
  567    H    GLN  76           HN       GLN  76 -14.471   4.766   4.766
  568    HA   GLN  76           HA       GLN  76 -15.361   6.532   6.532
  569   1HB   GLN  76           HB2      GLN  76 -13.991   6.631   6.631
  570   2HB   GLN  76           HB1      GLN  76 -12.983   7.442   7.442
  571   1HG   GLN  76           HG2      GLN  76 -15.937   8.017   8.017
  572   2HG   GLN  76           HG1      GLN  76 -14.812   8.834   8.834
  573   1HE2  GLN  76          HE22      GLN  76 -15.016   9.949   9.949
  574   2HE2  GLN  76          HE21      GLN  76 -16.018   8.731   8.731
  575    H    TYR  77           HN       TYR  77 -12.475   4.576   4.576
  576    HA   TYR  77           HA       TYR  77 -10.954   5.653   5.653
  577   1HB   TYR  77           HB2      TYR  77 -10.749   3.522   3.522
  578   2HB   TYR  77           HB1      TYR  77  -9.795   3.278   3.278
  579    HD1  TYR  77           HD2      TYR  77  -8.412   5.352   5.352
  580    HD2  TYR  77           HD1      TYR  77  -9.911   4.885   4.885
  581    HE1  TYR  77           HE2      TYR  77  -6.742   6.995   6.995
  582    HE2  TYR  77           HE1      TYR  77  -8.241   6.527   6.527
  583    HH   TYR  77           HH       TYR  77  -5.732   7.292   7.292
  584    H    GLY  78           HN       GLY  78 -13.190   2.971   2.971
  585   1HA   GLY  78           HA1      GLY  78 -14.443   2.024   2.024
  586   2HA   GLY  78           HA2      GLY  78 -13.134   2.497   2.497
  587    H    VAL  79           HN       VAL  79 -12.425   0.973   0.973
  588    HA   VAL  79           HA       VAL  79 -10.764  -1.044  -1.044
  589    HB   VAL  79           HB       VAL  79 -11.033  -2.046  -2.046
  590   1HG1  VAL  79          HG21      VAL  79  -9.746  -0.349  -0.349
  591   2HG1  VAL  79          HG23      VAL  79 -10.372   0.677   0.677
  592   3HG1  VAL  79          HG22      VAL  79 -11.189   0.629   0.629
  593   1HG2  VAL  79          HG13      VAL  79 -13.469  -0.256  -0.256
  594   2HG2  VAL  79          HG12      VAL  79 -13.389  -1.994  -1.994
  595   3HG2  VAL  79          HG11      VAL  79 -12.729  -0.873  -0.873
  596    H    ARG  80           HN       ARG  80 -11.200  -3.424  -3.424
  597    HA   ARG  80           HA       ARG  80 -14.020  -4.266  -4.266
  598   1HB   ARG  80           HB1      ARG  80 -12.071  -3.934  -3.934
  599   2HB   ARG  80           HB2      ARG  80 -13.387  -5.104  -5.104
  600   1HG   ARG  80           HG2      ARG  80 -14.915  -3.132  -3.132
  601   2HG   ARG  80           HG1      ARG  80 -13.555  -2.105  -2.105
  602   1HD   ARG  80           HD2      ARG  80 -13.823  -2.518  -2.518
  603   2HD   ARG  80           HD1      ARG  80 -14.329  -4.198  -4.198
  604    HE   ARG  80           HE       ARG  80 -16.403  -2.784  -2.784
  605   1HH1  ARG  80          HH21      ARG  80 -15.417  -3.732  -3.732
  606   2HH1  ARG  80          HH22      ARG  80 -16.471  -2.671  -2.671
  607   1HH2  ARG  80          HH11      ARG  80 -17.483  -0.921  -0.921
  608   2HH2  ARG  80          HH12      ARG  80 -17.640  -1.080  -1.080
  609    H    GLY  81           HN       GLY  81 -12.220  -5.203  -5.203
  610   1HA   GLY  81           HA2      GLY  81 -12.262  -7.822  -7.822
  611   2HA   GLY  81           HA1      GLY  81 -11.120  -7.738  -7.738
  612    H    TYR  82           HN       TYR  82 -11.059  -8.335  -8.335
  613    HA   TYR  82           HA       TYR  82  -8.781  -6.533  -6.533
  614   1HB   TYR  82           HB2      TYR  82 -10.359  -8.522  -8.522
  615   2HB   TYR  82           HB1      TYR  82  -9.240  -7.313  -7.313
  616    HD1  TYR  82           HD1      TYR  82 -10.108  -5.141  -5.141
  617    HD2  TYR  82           HD2      TYR  82 -12.310  -7.684  -7.684
  618    HE1  TYR  82           HE1      TYR  82 -11.942  -3.473  -3.473
  619    HE2  TYR  82           HE2      TYR  82 -14.140  -6.014  -6.014
  620    HH   TYR  82           HH       TYR  82 -13.797  -2.861  -2.861
  621    HA   PRO  83           HA       PRO  83  -7.492  -6.704  -6.704
  622   1HB   PRO  83           HB1      PRO  83  -4.808  -6.753  -6.753
  623   2HB   PRO  83           HB2      PRO  83  -5.968  -7.730  -7.730
  624   1HG   PRO  83           HG1      PRO  83  -4.011  -8.550  -8.550
  625   2HG   PRO  83           HG2      PRO  83  -4.797  -9.506  -9.506
  626   1HD   PRO  83           HD2      PRO  83  -5.445  -9.387  -9.387
  627   2HD   PRO  83           HD1      PRO  83  -6.250 -10.329 -10.329
  628    H    THR  84           HN       THR  84  -6.961  -4.583  -4.583
  629    HA   THR  84           HA       THR  84  -5.510  -4.357  -4.357
  630    HB   THR  84           HB       THR  84  -7.171  -2.155  -2.155
  631    HG1  THR  84           HG1      THR  84  -9.021  -3.262  -3.262
  632   1HG2  THR  84          HG21      THR  84  -6.184  -3.084  -3.084
  633   2HG2  THR  84          HG23      THR  84  -7.886  -2.624  -2.624
  634   3HG2  THR  84          HG22      THR  84  -6.669  -1.465  -1.465
  635    H    ILE  85           HN       ILE  85  -3.375  -3.909  -3.909
  636    HA   ILE  85           HA       ILE  85  -2.774  -2.069  -2.069
  637    HB   ILE  85           HB       ILE  85  -1.030  -3.781  -3.781
  638   1HG1  ILE  85          HG11      ILE  85  -0.913  -5.039  -5.039
  639   2HG1  ILE  85          HG12      ILE  85  -2.473  -4.258  -4.258
  640   1HG2  ILE  85          HG23      ILE  85   0.089  -1.813  -1.813
  641   2HG2  ILE  85          HG22      ILE  85  -0.379  -2.501  -2.501
  642   3HG2  ILE  85          HG21      ILE  85   0.727  -3.379  -3.379
  643   1HD1  ILE  85          HD11      ILE  85  -1.989  -5.649  -5.649
  644   2HD1  ILE  85          HD13      ILE  85  -2.325  -6.632  -6.632
  645   3HD1  ILE  85          HD12      ILE  85  -3.497  -5.429  -5.429
  646    H    LYS  86           HN       LYS  86  -1.894  -0.037  -0.037
  647    HA   LYS  86           HA       LYS  86  -0.997   0.727   0.727
  648   1HB   LYS  86           HB2      LYS  86  -3.375   1.677   1.677
  649   2HB   LYS  86           HB1      LYS  86  -2.460   2.898   2.898
  650   1HG   LYS  86           HG2      LYS  86  -2.587   1.283   1.283
  651   2HG   LYS  86           HG1      LYS  86  -3.830   0.433   0.433
  652   1HD   LYS  86           HD2      LYS  86  -4.428   3.218   3.218
  653   2HD   LYS  86           HD1      LYS  86  -4.097   2.822   2.822
  654   1HE   LYS  86           HE1      LYS  86  -5.701   0.899   0.899
  655   2HE   LYS  86           HE2      LYS  86  -6.107   1.452   1.452
  656   1HZ   LYS  86           HZ3      LYS  86  -6.203   3.196   3.196
  657   2HZ   LYS  86           HZ2      LYS  86  -7.561   2.380   2.380
  658   3HZ   LYS  86           HZ1      LYS  86  -6.778   3.560   3.560
  659    H    PHE  87           HN       PHE  87   0.677   2.244   2.244
  660    HA   PHE  87           HA       PHE  87   1.708   2.955   2.955
  661   1HB   PHE  87           HB1      PHE  87   3.211   1.874   1.874
  662   2HB   PHE  87           HB2      PHE  87   2.830   3.068   3.068
  663    HD1  PHE  87           HD1      PHE  87   3.504   3.551   3.551
  664    HD2  PHE  87           HD2      PHE  87   4.843   4.236   4.236
  665    HE1  PHE  87           HE1      PHE  87   5.314   5.018   5.018
  666    HE2  PHE  87           HE2      PHE  87   6.653   5.702   5.702
  667    HZ   PHE  87           HZ       PHE  87   6.888   6.093   6.093
  668    H    PHE  88           HN       PHE  88   1.540   5.038   5.038
  669    HA   PHE  88           HA       PHE  88   0.644   7.162   7.162
  670   1HB   PHE  88           HB1      PHE  88   0.169   6.604   6.604
  671   2HB   PHE  88           HB2      PHE  88  -0.238   8.148   8.148
  672    HD1  PHE  88           HD2      PHE  88  -1.534   7.876   7.876
  673    HD2  PHE  88           HD1      PHE  88  -1.522   5.009   5.009
  674    HE1  PHE  88           HE2      PHE  88  -3.647   6.906   6.906
  675    HE2  PHE  88           HE1      PHE  88  -3.635   4.039   4.039
  676    HZ   PHE  88           HZ       PHE  88  -4.694   4.980   4.980
  677    H    ARG  89           HN       ARG  89   2.544   8.240   8.240
  678    HA   ARG  89           HA       ARG  89   4.626   8.732   8.732
  679   1HB   ARG  89           HB2      ARG  89   5.066   8.007   8.007
  680   2HB   ARG  89           HB1      ARG  89   4.429   9.559   9.559
  681   1HG   ARG  89           HG2      ARG  89   6.194  10.768  10.768
  682   2HG   ARG  89           HG1      ARG  89   6.672   9.387   9.387
  683   1HD   ARG  89           HD2      ARG  89   8.261   9.638   9.638
  684   2HD   ARG  89           HD1      ARG  89   7.299   8.171   8.171
  685    HE   ARG  89           HE       ARG  89   5.916   9.446   9.446
  686   1HH1  ARG  89          HH21      ARG  89   7.110  12.054  12.054
  687   2HH1  ARG  89          HH22      ARG  89   7.932  12.726  12.726
  688   1HH2  ARG  89          HH11      ARG  89   7.701   9.832   9.832
  689   2HH2  ARG  89          HH12      ARG  89   8.267  11.467  11.467
  690    H    ASN  90           HN       ASN  90   3.831  10.338  10.338
  691    HA   ASN  90           HA       ASN  90   3.111  12.484  12.484
  692   1HB   ASN  90           HB2      ASN  90   5.393  12.747  12.747
  693   2HB   ASN  90           HB1      ASN  90   4.562  13.252  13.252
  694   1HD2  ASN  90          HD22      ASN  90   4.154  16.544  16.544
  695   2HD2  ASN  90          HD21      ASN  90   4.219  15.475  15.475
  696    H    GLY  91           HN       GLY  91   0.867  11.566  11.566
  697   1HA   GLY  91           HA2      GLY  91  -1.184  12.147  12.147
  698   2HA   GLY  91           HA1      GLY  91  -0.480  13.727  13.727
  699    H    ASP  92           HN       ASP  92  -1.166  10.568  10.568
  700    HA   ASP  92           HA       ASP  92  -0.304  11.551  11.551
  701   1HB   ASP  92           HB2      ASP  92   0.885   9.546   9.546
  702   2HB   ASP  92           HB1      ASP  92  -0.119   8.663   8.663
  703    H    THR  93           HN       THR  93  -2.970  11.377  11.377
  704    HA   THR  93           HA       THR  93  -4.587   9.240   9.240
  705    HB   THR  93           HB       THR  93  -6.382  11.077  11.077
  706    HG1  THR  93           HG1      THR  93  -5.174  12.827  12.827
  707   1HG2  THR  93          HG21      THR  93  -5.557   9.714   9.714
  708   2HG2  THR  93          HG23      THR  93  -4.495  11.067  11.067
  709   3HG2  THR  93          HG22      THR  93  -6.244  11.287  11.287
  710    H    ALA  94           HN       ALA  94  -3.271  11.917  11.917
  711    HA   ALA  94           HA       ALA  94  -5.027  11.429  11.429
  712   1HB   ALA  94           HB3      ALA  94  -2.608  13.190  13.190
  713   2HB   ALA  94           HB2      ALA  94  -3.580  13.238  13.238
  714   3HB   ALA  94           HB1      ALA  94  -4.299  13.685  13.685
  715    H    SER  95           HN       SER  95  -1.636  10.869  10.869
  716    HA   SER  95           HA       SER  95  -1.400   9.048   9.048
  717   1HB   SER  95           HB2      SER  95  -0.172  11.299  11.299
  718   2HB   SER  95           HB1      SER  95   0.825  10.658  10.658
  719    HG   SER  95           HG       SER  95   1.720  10.295  10.295
  720    HA   PRO  96           HA       PRO  96  -0.431   6.923   6.923
  721   1HB   PRO  96           HB1      PRO  96  -2.332   4.962   4.962
  722   2HB   PRO  96           HB2      PRO  96  -2.631   6.535   6.535
  723   1HG   PRO  96           HG2      PRO  96  -3.392   5.558   5.558
  724   2HG   PRO  96           HG1      PRO  96  -4.298   6.583   6.583
  725   1HD   PRO  96           HD2      PRO  96  -2.948   7.541   7.541
  726   2HD   PRO  96           HD1      PRO  96  -3.276   8.494   8.494
  727    H    LYS  97           HN       LYS  97   0.777   4.960   4.960
  728    HA   LYS  97           HA       LYS  97   1.213   3.595   3.595
  729   1HB   LYS  97           HB2      LYS  97   2.948   4.539   4.539
  730   2HB   LYS  97           HB1      LYS  97   3.434   3.048   3.048
  731   1HG   LYS  97           HG2      LYS  97   2.621   5.335   5.335
  732   2HG   LYS  97           HG1      LYS  97   4.176   5.462   5.462
  733   1HD   LYS  97           HD2      LYS  97   4.906   3.343   3.343
  734   2HD   LYS  97           HD1      LYS  97   3.321   3.093   3.093
  735   1HE   LYS  97           HE2      LYS  97   3.844   4.413   4.413
  736   2HE   LYS  97           HE1      LYS  97   4.474   5.692   5.692
  737   1HZ   LYS  97           HZ3      LYS  97   6.398   4.097   4.097
  738   2HZ   LYS  97           HZ2      LYS  97   5.858   3.265   3.265
  739   3HZ   LYS  97           HZ1      LYS  97   6.357   4.885   4.885
  740    H    GLU  98           HN       GLU  98   0.113   1.659   1.659
  741    HA   GLU  98           HA       GLU  98  -0.685   0.267   0.267
  742   1HB   GLU  98           HB2      GLU  98  -1.184  -1.534  -1.534
  743   2HB   GLU  98           HB1      GLU  98  -1.653   0.031   0.031
  744   1HG   GLU  98           HG1      GLU  98   1.053  -0.331  -0.331
  745   2HG   GLU  98           HG2      GLU  98   0.259  -1.874  -1.874
  746    H    TYR  99           HN       TYR  99   0.131  -1.821  -1.821
  747    HA   TYR  99           HA       TYR  99   3.107  -2.050  -2.050
  748   1HB   TYR  99           HB2      TYR  99   2.341  -1.530  -1.530
  749   2HB   TYR  99           HB1      TYR  99   1.097  -2.776  -2.776
  750    HD1  TYR  99           HD1      TYR  99   4.752  -2.170  -2.170
  751    HD2  TYR  99           HD2      TYR  99   1.606  -5.086  -5.086
  752    HE1  TYR  99           HE1      TYR  99   6.358  -3.822  -3.822
  753    HE2  TYR  99           HE2      TYR  99   3.216  -6.739  -6.739
  754    HH   TYR  99           HH       TYR  99   5.379  -6.713  -6.713
  755    H    THR 100           HN       THR 100   3.978  -4.047  -4.047
  756    HA   THR 100           HA       THR 100   2.453  -6.521  -6.521
  757    HB   THR 100           HB       THR 100   1.342  -5.297  -5.297
  758    HG1  THR 100           HG1      THR 100   1.941  -6.830  -6.830
  759   1HG2  THR 100          HG21      THR 100   4.105  -4.598  -4.598
  760   2HG2  THR 100          HG23      THR 100   3.249  -5.202  -5.202
  761   3HG2  THR 100          HG22      THR 100   2.611  -3.821  -3.821
  762    H    ALA 101           HN       ALA 101   4.752  -6.558  -6.558
  763    HA   ALA 101           HA       ALA 101   6.968  -6.951  -6.951
  764   1HB   ALA 101           HB1      ALA 101   6.594  -6.537  -6.537
  765   2HB   ALA 101           HB3      ALA 101   8.039  -7.411  -7.411
  766   3HB   ALA 101           HB2      ALA 101   7.743  -5.776  -5.776
  767    H    GLY 102           HN       GLY 102   6.359  -8.797  -8.797
  768   1HA   GLY 102           HA2      GLY 102   6.202 -11.285 -11.285
  769   2HA   GLY 102           HA1      GLY 102   7.289 -11.196 -11.196
  770    H    ARG 103           HN       ARG 103   6.466 -11.853 -11.853
  771    HA   ARG 103           HA       ARG 103   3.680 -11.407 -11.407
  772   1HB   ARG 103           HB2      ARG 103   4.379 -13.677 -13.677
  773   2HB   ARG 103           HB1      ARG 103   4.043 -14.262 -14.262
  774   1HG   ARG 103           HG2      ARG 103   1.919 -12.864 -12.864
  775   2HG   ARG 103           HG1      ARG 103   2.231 -12.618 -12.618
  776   1HD   ARG 103           HD2      ARG 103   2.519 -15.332 -15.332
  777   2HD   ARG 103           HD1      ARG 103   1.262 -15.037 -15.037
  778    HE   ARG 103           HE       ARG 103  -0.183 -14.304 -14.304
  779   1HH1  ARG 103          HH11      ARG 103   0.549 -12.328 -12.328
  780   2HH1  ARG 103          HH12      ARG 103   1.302 -12.973 -12.973
  781   1HH2  ARG 103          HH21      ARG 103   1.889 -16.089 -16.089
  782   2HH2  ARG 103          HH22      ARG 103   2.060 -15.103 -15.103
  783    H    GLU 104           HN       GLU 104   6.055 -10.705 -10.705
  784    HA   GLU 104           HA       GLU 104   5.715 -12.099 -12.099
  785   1HB   GLU 104           HB2      GLU 104   8.061 -12.881 -12.881
  786   2HB   GLU 104           HB1      GLU 104   7.199 -13.599 -13.599
  787   1HG   GLU 104           HG1      GLU 104   8.107 -11.480 -11.480
  788   2HG   GLU 104           HG2      GLU 104   9.310 -11.467 -11.467
  789    H    ALA 105           HN       ALA 105   7.058 -11.031 -11.031
  790    HA   ALA 105           HA       ALA 105   6.955  -8.236  -8.236
  791   1HB   ALA 105           HB3      ALA 105   7.454 -10.061 -10.061
  792   2HB   ALA 105           HB2      ALA 105   9.141  -9.737  -9.737
  793   3HB   ALA 105           HB1      ALA 105   8.114  -8.438  -8.438
  794    H    ASP 106           HN       ASP 106   9.708 -10.309 -10.309
  795    HA   ASP 106           HA       ASP 106  11.653  -8.295  -8.295
  796   1HB   ASP 106           HB2      ASP 106  11.146 -10.809 -10.809
  797   2HB   ASP 106           HB1      ASP 106  12.686  -9.957  -9.957
  798    H    ASP 107           HN       ASP 107   9.113  -9.453  -9.453
  799    HA   ASP 107           HA       ASP 107   9.902  -7.885  -7.885
  800   1HB   ASP 107           HB1      ASP 107   7.577  -9.458  -9.458
  801   2HB   ASP 107           HB2      ASP 107   7.213  -8.247  -8.247
  802    H    ILE 108           HN       ILE 108   8.012  -7.171  -7.171
  803    HA   ILE 108           HA       ILE 108   6.760  -4.746  -4.746
  804    HB   ILE 108           HB       ILE 108   7.634  -5.659  -5.659
  805   1HG1  ILE 108          HG12      ILE 108   6.164  -7.264  -7.264
  806   2HG1  ILE 108          HG11      ILE 108   5.420  -6.630  -6.630
  807   1HG2  ILE 108          HG21      ILE 108   5.954  -3.401  -3.401
  808   2HG2  ILE 108          HG23      ILE 108   5.447  -4.213  -4.213
  809   3HG2  ILE 108          HG22      ILE 108   7.041  -3.464  -3.464
  810   1HD1  ILE 108          HD12      ILE 108   4.918  -5.003  -5.003
  811   2HD1  ILE 108          HD11      ILE 108   4.229  -6.625  -6.625
  812   3HD1  ILE 108          HD13      ILE 108   3.797  -5.533  -5.533
  813    H    VAL 109           HN       VAL 109   9.826  -5.429  -5.429
  814    HA   VAL 109           HA       VAL 109  10.604  -2.616  -2.616
  815    HB   VAL 109           HB       VAL 109  12.085  -5.244  -5.244
  816   1HG1  VAL 109          HG23      VAL 109  13.188  -2.716  -2.716
  817   2HG1  VAL 109          HG22      VAL 109  13.092  -2.885  -2.885
  818   3HG1  VAL 109          HG21      VAL 109  13.971  -4.079  -4.079
  819   1HG2  VAL 109          HG11      VAL 109  10.441  -3.472  -3.472
  820   2HG2  VAL 109          HG13      VAL 109  10.551  -5.232  -5.232
  821   3HG2  VAL 109          HG12      VAL 109  11.840  -4.278  -4.278
  822    H    ASN 110           HN       ASN 110  11.309  -5.394  -5.394
  823    HA   ASN 110           HA       ASN 110  13.414  -4.328  -4.328
  824   1HB   ASN 110           HB2      ASN 110  11.936  -6.615  -6.615
  825   2HB   ASN 110           HB1      ASN 110  11.309  -5.914  -5.914
  826   1HD2  ASN 110          HD22      ASN 110  14.884  -7.716  -7.716
  827   2HD2  ASN 110          HD21      ASN 110  13.776  -7.865  -7.865
  828    H    TRP 111           HN       TRP 111   9.887  -4.040  -4.040
  829    HA   TRP 111           HA       TRP 111  10.046  -2.425  -2.425
  830   1HB   TRP 111           HB2      TRP 111   8.129  -3.874  -3.874
  831   2HB   TRP 111           HB1      TRP 111   7.796  -2.508  -2.508
  832    HD1  TRP 111           HD1      TRP 111   7.601  -3.618  -3.618
  833    HE1  TRP 111           HE1      TRP 111   6.256  -1.879  -1.879
  834    HE3  TRP 111           HE3      TRP 111   7.152   0.065   0.065
  835    HZ2  TRP 111           HZ2      TRP 111   5.138   0.728   0.728
  836    HZ3  TRP 111           HZ3      TRP 111   5.943   2.163   2.163
  837    HH2  TRP 111           HH2      TRP 111   4.936   2.499   2.499
  838    H    LEU 112           HN       LEU 112   9.893  -1.766  -1.766
  839    HA   LEU 112           HA       LEU 112   9.475   1.095   1.095
  840   1HB   LEU 112           HB1      LEU 112   9.884  -0.956  -0.956
  841   2HB   LEU 112           HB2      LEU 112  10.667   0.570   0.570
  842    HG   LEU 112           HG       LEU 112   8.454   1.702   1.702
  843   1HD1  LEU 112          HD11      LEU 112   7.738  -0.594  -0.594
  844   2HD1  LEU 112          HD13      LEU 112   7.197  -0.969  -0.969
  845   3HD1  LEU 112          HD12      LEU 112   6.534   0.427   0.427
  846   1HD2  LEU 112          HD22      LEU 112   8.717  -0.182  -0.182
  847   2HD2  LEU 112          HD21      LEU 112   9.037   1.553   1.553
  848   3HD2  LEU 112          HD23      LEU 112   7.380   0.958   0.958
  849    H    LYS 113           HN       LYS 113  12.341  -0.999  -0.999
  850    HA   LYS 113           HA       LYS 113  14.109   1.388   1.388
  851   1HB   LYS 113           HB2      LYS 113  15.834  -0.240  -0.240
  852   2HB   LYS 113           HB1      LYS 113  14.410  -0.645  -0.645
  853   1HG   LYS 113           HG2      LYS 113  13.790  -2.210  -2.210
  854   2HG   LYS 113           HG1      LYS 113  15.475  -2.022  -2.022
  855   1HD   LYS 113           HD2      LYS 113  15.043  -2.623  -2.623
  856   2HD   LYS 113           HD1      LYS 113  14.620  -3.922  -3.922
  857   1HE   LYS 113           HE2      LYS 113  17.069  -2.904  -2.904
  858   2HE   LYS 113           HE1      LYS 113  17.255  -3.024  -3.024
  859   1HZ   LYS 113           HZ2      LYS 113  15.969  -5.176  -5.176
  860   2HZ   LYS 113           HZ1      LYS 113  17.654  -5.132  -5.132
  861   3HZ   LYS 113           HZ3      LYS 113  16.637  -5.257  -5.257
  862    H    LYS 114           HN       LYS 114  12.471   0.252   0.252
  863    HA   LYS 114           HA       LYS 114  14.476  -0.556  -0.556
  864   1HB   LYS 114           HB2      LYS 114  11.681  -0.440  -0.440
  865   2HB   LYS 114           HB1      LYS 114  12.057   0.645   0.645
  866   1HG   LYS 114           HG2      LYS 114  13.682  -1.410  -1.410
  867   2HG   LYS 114           HG1      LYS 114  12.417  -2.300  -2.300
  868   1HD   LYS 114           HD2      LYS 114  11.787  -2.206  -2.206
  869   2HD   LYS 114           HD1      LYS 114  10.727  -1.101  -1.101
  870   1HE   LYS 114           HE2      LYS 114  11.881   0.819   0.819
  871   2HE   LYS 114           HE1      LYS 114  13.290  -0.136  -0.136
  872   1HZ   LYS 114           HZ1      LYS 114  10.553  -0.384  -0.384
  873   2HZ   LYS 114           HZ3      LYS 114  11.858   0.388   0.388
  874   3HZ   LYS 114           HZ2      LYS 114  11.913  -1.286  -1.286
  875    H    ARG 115           HN       ARG 115  13.391   2.502   2.502
  876    HA   ARG 115           HA       ARG 115  14.709   3.940   3.940
  877   1HB   ARG 115           HB2      ARG 115  12.736   4.855   4.855
  878   2HB   ARG 115           HB1      ARG 115  13.317   5.832   5.832
  879   1HG   ARG 115           HG2      ARG 115  12.469   3.686   3.686
  880   2HG   ARG 115           HG1      ARG 115  11.383   3.566   3.566
  881   1HD   ARG 115           HD2      ARG 115  10.412   5.683   5.683
  882   2HD   ARG 115           HD1      ARG 115  11.758   6.186   6.186
  883    HE   ARG 115           HE       ARG 115  10.945   4.659   4.659
  884   1HH1  ARG 115          HH21      ARG 115   9.594   2.540   2.540
  885   2HH1  ARG 115          HH22      ARG 115   7.947   2.844   2.844
  886   1HH2  ARG 115          HH11      ARG 115   8.563   6.073   6.073
  887   2HH2  ARG 115          HH12      ARG 115   7.364   4.845   4.845
  888    H    THR 116           HN       THR 116  14.934   3.230   3.230
  889    HA   THR 116           HA       THR 116  16.795   5.487   5.487
  890    HB   THR 116           HB       THR 116  16.633   4.639   4.639
  891    HG1  THR 116           HG1      THR 116  15.091   2.869   2.869
  892   1HG2  THR 116          HG21      THR 116  14.526   5.665   5.665
  893   2HG2  THR 116          HG23      THR 116  13.815   4.469   4.469
  894   3HG2  THR 116          HG22      THR 116  14.731   5.823   5.823
  895    H    GLY 117           HN       GLY 117  16.803   1.935   1.935
  896   1HA   GLY 117           HA2      GLY 117  18.689   0.628   0.628
  897   2HA   GLY 117           HA1      GLY 117  19.731   2.022   2.022
  898    HA   PRO 118           HA       PRO 118  20.100  -0.911  -0.911
  899   1HB   PRO 118           HB2      PRO 118  22.829  -1.096  -1.096
  900   2HB   PRO 118           HB1      PRO 118  21.771  -2.168  -2.168
  901   1HG   PRO 118           HG2      PRO 118  23.324   0.215   0.215
  902   2HG   PRO 118           HG1      PRO 118  23.021  -1.309  -1.309
  903   1HD   PRO 118           HD2      PRO 118  21.689   1.019   1.019
  904   2HD   PRO 118           HD1      PRO 118  21.013  -0.598  -0.598
  905    H    ALA 119           HN       ALA 119  19.663   0.542   0.542
  906    HA   ALA 119           HA       ALA 119  21.088   3.048   3.048
  907   1HB   ALA 119           HB3      ALA 119  18.701   2.364   2.364
  908   2HB   ALA 119           HB2      ALA 119  19.450   1.534   1.534
  909   3HB   ALA 119           HB1      ALA 119  19.623   3.281   3.281
  910    H    ALA 120           HN       ALA 120  22.203   3.496   3.496
  911    HA   ALA 120           HA       ALA 120  23.937   1.159   1.159
  912   1HB   ALA 120           HB2      ALA 120  24.963   3.053   3.053
  913   2HB   ALA 120           HB1      ALA 120  24.579   4.123   4.123
  914   3HB   ALA 120           HB3      ALA 120  25.716   2.794   2.794

  Start of MODEL   10
    1   1H    ASP   1           HT2      ASP   1  -5.641  11.100  11.100
    2   2H    ASP   1           HT1      ASP   1  -6.747  12.318  12.318
    3   3H    ASP   1           HT3      ASP   1  -7.278  10.718  10.718
    4    HA   ASP   1           HA       ASP   1  -7.133  11.037  11.037
    5   1HB   ASP   1           HB1      ASP   1  -5.065  12.109  12.109
    6   2HB   ASP   1           HB2      ASP   1  -5.932  13.162  13.162
    7    H    ALA   2           HN       ALA   2  -6.067   9.070   9.070
    8    HA   ALA   2           HA       ALA   2  -3.730   7.741   7.741
    9   1HB   ALA   2           HB2      ALA   2  -5.689   7.427   7.427
   10   2HB   ALA   2           HB1      ALA   2  -6.008   6.050   6.050
   11   3HB   ALA   2           HB3      ALA   2  -4.421   6.242   6.242
   12    HA   PRO   3           HA       PRO   3  -5.442   6.473   6.473
   13   1HB   PRO   3           HB1      PRO   3  -3.043   5.820   5.820
   14   2HB   PRO   3           HB2      PRO   3  -3.644   7.485   7.485
   15   1HG   PRO   3           HG2      PRO   3  -1.607   6.099   6.099
   16   2HG   PRO   3           HG1      PRO   3  -1.665   7.782   7.782
   17   1HD   PRO   3           HD1      PRO   3  -2.335   6.935   6.935
   18   2HD   PRO   3           HD2      PRO   3  -2.904   8.443   8.443
   19    H    GLU   4           HN       GLU   4  -5.767   4.359   4.359
   20    HA   GLU   4           HA       GLU   4  -5.284   2.137   2.137
   21   1HB   GLU   4           HB1      GLU   4  -7.116   2.850   2.850
   22   2HB   GLU   4           HB2      GLU   4  -6.238   1.491   1.491
   23   1HG   GLU   4           HG1      GLU   4  -8.322   1.334   1.334
   24   2HG   GLU   4           HG2      GLU   4  -7.237   0.024   0.024
   25    H    GLU   5           HN       GLU   5  -3.681   0.607   0.607
   26    HA   GLU   5           HA       GLU   5  -2.186   0.277   0.277
   27   1HB   GLU   5           HB1      GLU   5  -0.049   0.732   0.732
   28   2HB   GLU   5           HB2      GLU   5  -1.112   2.140   2.140
   29   1HG   GLU   5           HG2      GLU   5  -1.904   1.360   1.360
   30   2HG   GLU   5           HG1      GLU   5  -0.670   0.102   0.102
   31    H    GLU   6           HN       GLU   6  -1.581  -1.878  -1.878
   32    HA   GLU   6           HA       GLU   6  -2.109  -3.663  -3.663
   33   1HB   GLU   6           HB1      GLU   6  -2.291  -5.370  -5.370
   34   2HB   GLU   6           HB2      GLU   6  -3.183  -3.961  -3.961
   35   1HG   GLU   6           HG2      GLU   6  -1.130  -3.278  -3.278
   36   2HG   GLU   6           HG1      GLU   6  -0.414  -4.830  -4.830
   37    H    ASP   7           HN       ASP   7  -0.402  -5.770  -5.770
   38    HA   ASP   7           HA       ASP   7   1.930  -5.549  -5.549
   39   1HB   ASP   7           HB2      ASP   7   0.858  -7.169  -7.169
   40   2HB   ASP   7           HB1      ASP   7   2.620  -7.094  -7.094
   41    H    HIS   8           HN       HIS   8   3.147  -3.656  -3.656
   42    HA   HIS   8           HA       HIS   8   4.547  -2.010  -2.010
   43   1HB   HIS   8           HB1      HIS   8   5.271  -4.558  -4.558
   44   2HB   HIS   8           HB2      HIS   8   6.297  -3.127  -3.127
   45    HD1  HIS   8           HD1      HIS   8   7.277  -5.790  -5.790
   46    HD2  HIS   8           HD2      HIS   8   5.219  -2.890  -2.890
   47    HE1  HIS   8           HE1      HIS   8   7.867  -6.167  -6.167
   48    H    VAL   9           HN       VAL   9   1.884  -2.468  -2.468
   49    HA   VAL   9           HA       VAL   9   2.666  -1.257  -1.257
   50    HB   VAL   9           HB       VAL   9   0.732  -3.498  -3.498
   51   1HG1  VAL   9          HG11      VAL   9   1.041  -1.937  -1.937
   52   2HG1  VAL   9          HG13      VAL   9   0.128  -3.436  -3.436
   53   3HG1  VAL   9          HG12      VAL   9  -0.395  -1.986  -1.986
   54   1HG2  VAL   9          HG23      VAL   9   3.322  -3.721  -3.721
   55   2HG2  VAL   9          HG22      VAL   9   2.158  -4.859  -4.859
   56   3HG2  VAL   9          HG21      VAL   9   2.762  -3.525  -3.525
   57    H    LEU  10           HN       LEU  10   0.620  -0.122  -0.122
   58    HA   LEU  10           HA       LEU  10  -0.866   1.157   1.157
   59   1HB   LEU  10           HB2      LEU  10   0.664   2.128   2.128
   60   2HB   LEU  10           HB1      LEU  10  -0.979   2.738   2.738
   61    HG   LEU  10           HG       LEU  10   0.500   4.236   4.236
   62   1HD1  LEU  10          HD21      LEU  10  -1.949   4.050   4.050
   63   2HD1  LEU  10          HD23      LEU  10  -1.601   2.831   2.831
   64   3HD1  LEU  10          HD22      LEU  10  -1.024   4.483   4.483
   65   1HD2  LEU  10          HD12      LEU  10   1.822   2.179   2.179
   66   2HD2  LEU  10          HD11      LEU  10   1.555   3.539   3.539
   67   3HD2  LEU  10          HD13      LEU  10   0.554   2.092   2.092
   68    H    VAL  11           HN       VAL  11  -2.800   2.396   2.396
   69    HA   VAL  11           HA       VAL  11  -4.321   0.692   0.692
   70    HB   VAL  11           HB       VAL  11  -5.240   1.409   1.409
   71   1HG1  VAL  11          HG11      VAL  11  -7.035   1.354   1.354
   72   2HG1  VAL  11          HG13      VAL  11  -6.570  -0.305  -0.305
   73   3HG1  VAL  11          HG12      VAL  11  -7.220   0.089   0.089
   74   1HG2  VAL  11          HG22      VAL  11  -4.267  -1.163  -1.163
   75   2HG2  VAL  11          HG21      VAL  11  -3.658  -0.366  -0.366
   76   3HG2  VAL  11          HG23      VAL  11  -5.240  -1.145  -1.145
   77    H    LEU  12           HN       LEU  12  -5.960   1.960   1.960
   78    HA   LEU  12           HA       LEU  12  -6.027   4.850   4.850
   79   1HB   LEU  12           HB1      LEU  12  -5.865   3.644   3.644
   80   2HB   LEU  12           HB2      LEU  12  -5.935   5.367   5.367
   81    HG   LEU  12           HG       LEU  12  -3.775   3.509   3.509
   82   1HD1  LEU  12          HD21      LEU  12  -3.742   5.444   5.444
   83   2HD1  LEU  12          HD23      LEU  12  -2.328   4.608   4.608
   84   3HD1  LEU  12          HD22      LEU  12  -3.632   3.687   3.687
   85   1HD2  LEU  12          HD12      LEU  12  -4.081   6.527   6.527
   86   2HD2  LEU  12          HD11      LEU  12  -4.134   5.491   5.491
   87   3HD2  LEU  12          HD13      LEU  12  -2.629   5.673   5.673
   88    H    ARG  13           HN       ARG  13  -7.911   5.989   5.989
   89    HA   ARG  13           HA       ARG  13 -10.195   4.352   4.352
   90   1HB   ARG  13           HB1      ARG  13 -11.559   4.793   4.793
   91   2HB   ARG  13           HB2      ARG  13 -10.026   4.136   4.136
   92   1HG   ARG  13           HG2      ARG  13  -9.308   6.647   6.647
   93   2HG   ARG  13           HG1      ARG  13 -11.044   6.957   6.957
   94   1HD   ARG  13           HD2      ARG  13 -10.467   4.787   4.787
   95   2HD   ARG  13           HD1      ARG  13  -9.482   6.204   6.204
   96    HE   ARG  13           HE       ARG  13 -11.677   7.520   7.520
   97   1HH1  ARG  13          HH21      ARG  13 -13.296   5.142   5.142
   98   2HH1  ARG  13          HH22      ARG  13 -14.075   4.649   4.649
   99   1HH2  ARG  13          HH11      ARG  13 -11.940   6.454   6.454
  100   2HH2  ARG  13          HH12      ARG  13 -13.307   5.391   5.391
  101    H    LYS  14           HN       LYS  14 -12.069   6.488   6.488
  102    HA   LYS  14           HA       LYS  14 -11.940   8.208   8.208
  103   1HB   LYS  14           HB2      LYS  14 -13.661   7.581   7.581
  104   2HB   LYS  14           HB1      LYS  14 -13.607   9.325   9.325
  105   1HG   LYS  14           HG2      LYS  14 -13.867   7.617   7.617
  106   2HG   LYS  14           HG1      LYS  14 -15.279   7.735   7.735
  107   1HD   LYS  14           HD2      LYS  14 -13.777  10.208  10.208
  108   2HD   LYS  14           HD1      LYS  14 -15.008   9.499   9.499
  109   1HE   LYS  14           HE2      LYS  14 -16.433   9.515   9.515
  110   2HE   LYS  14           HE1      LYS  14 -15.327  10.847  10.847
  111   1HZ   LYS  14           HZ3      LYS  14 -15.810  11.799  11.799
  112   2HZ   LYS  14           HZ2      LYS  14 -16.960  10.577  10.577
  113   3HZ   LYS  14           HZ1      LYS  14 -17.196  11.711  11.711
  114    H    SER  15           HN       SER  15 -10.345   8.440   8.440
  115    HA   SER  15           HA       SER  15  -9.855  11.360  11.360
  116   1HB   SER  15           HB2      SER  15 -11.157  10.223  10.223
  117   2HB   SER  15           HB1      SER  15  -9.505  10.221  10.221
  118    HG   SER  15           HG       SER  15  -9.419  12.463  12.463
  119    H    ASN  16           HN       ASN  16  -8.416   8.262   8.262
  120    HA   ASN  16           HA       ASN  16  -5.781   9.403   9.403
  121   1HB   ASN  16           HB1      ASN  16  -6.826   6.589   6.589
  122   2HB   ASN  16           HB2      ASN  16  -5.180   6.962   6.962
  123   1HD2  ASN  16          HD22      ASN  16  -7.495   6.471   6.471
  124   2HD2  ASN  16          HD21      ASN  16  -7.257   5.540   5.540
  125    H    PHE  17           HN       PHE  17  -7.409   7.958   7.958
  126    HA   PHE  17           HA       PHE  17  -5.139   7.376   7.376
  127   1HB   PHE  17           HB1      PHE  17  -7.555   6.784   6.784
  128   2HB   PHE  17           HB2      PHE  17  -7.836   8.462   8.462
  129    HD1  PHE  17           HD2      PHE  17  -6.226   9.436   9.436
  130    HD2  PHE  17           HD1      PHE  17  -6.856   5.240   5.240
  131    HE1  PHE  17           HE2      PHE  17  -5.377   8.949   8.949
  132    HE2  PHE  17           HE1      PHE  17  -6.008   4.751   4.751
  133    HZ   PHE  17           HZ       PHE  17  -5.268   6.605   6.605
  134    H    ALA  18           HN       ALA  18  -7.230  10.271  10.271
  135    HA   ALA  18           HA       ALA  18  -5.422  11.766  11.766
  136   1HB   ALA  18           HB2      ALA  18  -7.809  12.252  12.252
  137   2HB   ALA  18           HB1      ALA  18  -6.855  13.668  13.668
  138   3HB   ALA  18           HB3      ALA  18  -7.552  12.649  12.649
  139    H    GLU  19           HN       GLU  19  -5.345  11.051  11.051
  140    HA   GLU  19           HA       GLU  19  -3.697  13.348  13.348
  141   1HB   GLU  19           HB2      GLU  19  -5.362  12.067  12.067
  142   2HB   GLU  19           HB1      GLU  19  -4.222  10.725  10.725
  143   1HG   GLU  19           HG2      GLU  19  -2.823  11.752  11.752
  144   2HG   GLU  19           HG1      GLU  19  -3.019  13.324  13.324
  145    H    ALA  20           HN       ALA  20  -3.205   9.822   9.822
  146    HA   ALA  20           HA       ALA  20  -0.441   9.711   9.711
  147   1HB   ALA  20           HB2      ALA  20  -2.508   8.027   8.027
  148   2HB   ALA  20           HB1      ALA  20  -1.348   7.945   7.945
  149   3HB   ALA  20           HB3      ALA  20  -0.842   7.535   7.535
  150    H    LEU  21           HN       LEU  21  -2.032   9.905   9.905
  151    HA   LEU  21           HA       LEU  21   0.245  10.187  10.187
  152   1HB   LEU  21           HB2      LEU  21  -2.634  10.847  10.847
  153   2HB   LEU  21           HB1      LEU  21  -1.650  11.757  11.757
  154    HG   LEU  21           HG       LEU  21  -0.805   9.721   9.721
  155   1HD1  LEU  21          HD23      LEU  21  -2.245   8.357   8.357
  156   2HD1  LEU  21          HD22      LEU  21  -1.711   7.494   7.494
  157   3HD1  LEU  21          HD21      LEU  21  -0.527   8.275   8.275
  158   1HD2  LEU  21          HD13      LEU  21  -3.784   9.613   9.613
  159   2HD2  LEU  21          HD12      LEU  21  -2.971  10.397  10.397
  160   3HD2  LEU  21          HD11      LEU  21  -2.964   8.636   8.636
  161    H    ALA  22           HN       ALA  22  -1.532  12.668  12.668
  162    HA   ALA  22           HA       ALA  22   0.429  14.738  14.738
  163   1HB   ALA  22           HB3      ALA  22  -2.354  14.597  14.597
  164   2HB   ALA  22           HB2      ALA  22  -1.430  15.930  15.930
  165   3HB   ALA  22           HB1      ALA  22  -1.594  15.785  15.785
  166    H    ALA  23           HN       ALA  23   0.690  12.424  12.424
  167    HA   ALA  23           HA       ALA  23   1.527  14.175  14.175
  168   1HB   ALA  23           HB1      ALA  23   0.647  11.286  11.286
  169   2HB   ALA  23           HB3      ALA  23   1.361  11.930  11.930
  170   3HB   ALA  23           HB2      ALA  23  -0.162  12.584  12.584
  171    H    HIS  24           HN       HIS  24   2.527  11.581  11.581
  172    HA   HIS  24           HA       HIS  24   5.364  12.070  12.070
  173   1HB   HIS  24           HB2      HIS  24   3.974   9.409   9.409
  174   2HB   HIS  24           HB1      HIS  24   5.689   9.608   9.608
  175    HD1  HIS  24           HD1      HIS  24   3.160   8.339   8.339
  176    HD2  HIS  24           HD2      HIS  24   5.393  11.789  11.789
  177    HE1  HIS  24           HE1      HIS  24   2.944   8.843   8.843
  178    H    LYS  25           HN       LYS  25   6.363  10.069  10.069
  179    HA   LYS  25           HA       LYS  25   5.794  11.501  11.501
  180   1HB   LYS  25           HB1      LYS  25   8.092  11.539  11.539
  181   2HB   LYS  25           HB2      LYS  25   8.113   9.778   9.778
  182   1HG   LYS  25           HG2      LYS  25   8.949   9.889   9.889
  183   2HG   LYS  25           HG1      LYS  25   7.319  10.348  10.348
  184   1HD   LYS  25           HD2      LYS  25   7.948  12.749  12.749
  185   2HD   LYS  25           HD1      LYS  25   9.611  12.195  12.195
  186   1HE   LYS  25           HE2      LYS  25   8.974  11.044  11.044
  187   2HE   LYS  25           HE1      LYS  25   8.060  12.565  12.565
  188   1HZ   LYS  25           HZ1      LYS  25  10.140  13.648  13.648
  189   2HZ   LYS  25           HZ3      LYS  25  10.953  12.204  12.204
  190   3HZ   LYS  25           HZ2      LYS  25  10.225  13.100  13.100
  191    H    TYR  26           HN       TYR  26   7.031   8.208   8.208
  192    HA   TYR  26           HA       TYR  26   5.337   7.152   7.152
  193   1HB   TYR  26           HB1      TYR  26   7.578   6.154   6.154
  194   2HB   TYR  26           HB2      TYR  26   6.666   5.038   5.038
  195    HD1  TYR  26           HD2      TYR  26   6.850   8.329   8.329
  196    HD2  TYR  26           HD1      TYR  26   9.008   4.626   4.626
  197    HE1  TYR  26           HE2      TYR  26   8.221   8.997   8.997
  198    HE2  TYR  26           HE1      TYR  26  10.376   5.289   5.289
  199    HH   TYR  26           HH       TYR  26   9.559   7.655   7.655
  200    H    LEU  27           HN       LEU  27   3.214   6.883   6.883
  201    HA   LEU  27           HA       LEU  27   2.807   5.423   5.423
  202   1HB   LEU  27           HB2      LEU  27   1.253   7.510   7.510
  203   2HB   LEU  27           HB1      LEU  27   0.460   6.510   6.510
  204    HG   LEU  27           HG       LEU  27   1.205   8.580   8.580
  205   1HD1  LEU  27          HD13      LEU  27   1.583   6.177   6.177
  206   2HD1  LEU  27          HD12      LEU  27   3.277   6.652   6.652
  207   3HD1  LEU  27          HD11      LEU  27   2.146   7.633   7.633
  208   1HD2  LEU  27          HD22      LEU  27   3.212   8.574   8.574
  209   2HD2  LEU  27          HD21      LEU  27   3.238   9.548   9.548
  210   3HD2  LEU  27          HD23      LEU  27   4.081   7.999   7.999
  211    H    LEU  28           HN       LEU  28   2.579   3.274   3.274
  212    HA   LEU  28           HA       LEU  28   1.203   2.544   2.544
  213   1HB   LEU  28           HB1      LEU  28   3.257   1.454   1.454
  214   2HB   LEU  28           HB2      LEU  28   2.079   0.714   0.714
  215    HG   LEU  28           HG       LEU  28   0.858  -0.105  -0.105
  216   1HD1  LEU  28          HD13      LEU  28   2.458   1.640   1.640
  217   2HD1  LEU  28          HD12      LEU  28   3.383   0.153   0.153
  218   3HD1  LEU  28          HD11      LEU  28   1.712   0.237   0.237
  219   1HD2  LEU  28          HD23      LEU  28   2.369  -1.520  -1.520
  220   2HD2  LEU  28          HD22      LEU  28   2.354  -2.008  -2.008
  221   3HD2  LEU  28          HD21      LEU  28   3.709  -1.078  -1.078
  222    H    VAL  29           HN       VAL  29  -0.920   1.886   1.886
  223    HA   VAL  29           HA       VAL  29  -2.380   1.347   1.347
  224    HB   VAL  29           HB       VAL  29  -3.396   2.961   2.961
  225   1HG1  VAL  29          HG22      VAL  29  -4.456   2.211   2.211
  226   2HG1  VAL  29          HG21      VAL  29  -4.995   3.699   3.699
  227   3HG1  VAL  29          HG23      VAL  29  -5.269   2.145   2.145
  228   1HG2  VAL  29          HG11      VAL  29  -2.009   3.776   3.776
  229   2HG2  VAL  29          HG13      VAL  29  -1.737   4.361   4.361
  230   3HG2  VAL  29          HG12      VAL  29  -3.182   4.852   4.852
  231    H    GLU  30           HN       GLU  30  -3.322  -0.651  -0.651
  232    HA   GLU  30           HA       GLU  30  -3.945  -1.735  -1.735
  233   1HB   GLU  30           HB2      GLU  30  -2.173  -2.915  -2.915
  234   2HB   GLU  30           HB1      GLU  30  -3.197  -3.064  -3.064
  235   1HG   GLU  30           HG2      GLU  30  -4.777  -4.462  -4.462
  236   2HG   GLU  30           HG1      GLU  30  -3.825  -4.263  -4.263
  237    H    PHE  31           HN       PHE  31  -6.084  -2.115  -2.115
  238    HA   PHE  31           HA       PHE  31  -8.036  -1.862  -1.862
  239   1HB   PHE  31           HB2      PHE  31  -8.200  -1.929  -1.929
  240   2HB   PHE  31           HB1      PHE  31  -9.610  -1.778  -1.778
  241    HD1  PHE  31           HD2      PHE  31  -6.332  -0.194  -0.194
  242    HD2  PHE  31           HD1      PHE  31 -10.233   0.318   0.318
  243    HE1  PHE  31           HE2      PHE  31  -5.928   2.245   2.245
  244    HE2  PHE  31           HE1      PHE  31  -9.830   2.758   2.758
  245    HZ   PHE  31           HZ       PHE  31  -7.677   3.721   3.721
  246    H    TYR  32           HN       TYR  32  -8.442  -3.818  -3.818
  247    HA   TYR  32           HA       TYR  32  -8.911  -6.189  -6.189
  248   1HB   TYR  32           HB2      TYR  32  -7.663  -7.539  -7.539
  249   2HB   TYR  32           HB1      TYR  32  -6.687  -6.106  -6.106
  250    HD1  TYR  32           HD2      TYR  32  -6.747  -4.193  -4.193
  251    HD2  TYR  32           HD1      TYR  32  -8.442  -8.045  -8.045
  252    HE1  TYR  32           HE2      TYR  32  -6.724  -3.666  -3.666
  253    HE2  TYR  32           HE1      TYR  32  -8.418  -7.518  -7.518
  254    HH   TYR  32           HH       TYR  32  -6.649  -5.107  -5.107
  255    H    ALA  33           HN       ALA  33 -10.181  -7.933  -7.933
  256    HA   ALA  33           HA       ALA  33 -12.094  -6.676  -6.676
  257   1HB   ALA  33           HB2      ALA  33 -12.793  -6.875  -6.875
  258   2HB   ALA  33           HB1      ALA  33 -12.926  -8.603  -8.603
  259   3HB   ALA  33           HB3      ALA  33 -13.925  -7.451  -7.451
  260    HA   PRO  34           HA       PRO  34 -11.575 -10.396 -10.396
  261   1HB   PRO  34           HB2      PRO  34 -14.104 -10.859 -10.859
  262   2HB   PRO  34           HB1      PRO  34 -13.050  -9.575  -9.575
  263   1HG   PRO  34           HG2      PRO  34 -15.289  -9.410  -9.410
  264   2HG   PRO  34           HG1      PRO  34 -14.878  -8.313  -8.313
  265   1HD   PRO  34           HD1      PRO  34 -14.257  -7.773  -7.773
  266   2HD   PRO  34           HD2      PRO  34 -13.254  -7.233  -7.233
  267    H    TRP  35           HN       TRP  35 -13.760 -10.283 -10.283
  268    HA   TRP  35           HA       TRP  35 -13.973 -13.268 -13.268
  269   1HB   TRP  35           HB1      TRP  35 -15.795 -12.724 -12.724
  270   2HB   TRP  35           HB2      TRP  35 -16.128 -12.250 -12.250
  271    HD1  TRP  35           HD1      TRP  35 -14.044 -10.397 -10.397
  272    HE1  TRP  35           HE1      TRP  35 -14.991  -8.014  -8.014
  273    HE3  TRP  35           HE3      TRP  35 -17.988 -10.695 -10.695
  274    HZ2  TRP  35           HZ2      TRP  35 -17.136  -6.438  -6.438
  275    HZ3  TRP  35           HZ3      TRP  35 -19.465  -8.738  -8.738
  276    HH2  TRP  35           HH2      TRP  35 -19.045  -6.612  -6.612
  277    H    CYS  36           HN       CYS  36 -11.991 -10.927 -10.927
  278    HA   CYS  36           HA       CYS  36 -11.800 -11.238 -11.238
  279   1HB   CYS  36           HB1      CYS  36 -10.451  -9.714  -9.714
  280   2HB   CYS  36           HB2      CYS  36  -9.633 -11.078 -11.078
  281    H    GLY  37           HN       GLY  37 -10.756 -13.491 -13.491
  282   1HA   GLY  37           HA2      GLY  37 -10.178 -15.766 -15.766
  283   2HA   GLY  37           HA1      GLY  37 -10.764 -15.725 -15.725
  284    H    HIS  38           HN       HIS  38  -8.111 -16.538 -16.538
  285    HA   HIS  38           HA       HIS  38  -5.827 -16.701 -16.701
  286   1HB   HIS  38           HB2      HIS  38  -7.194 -17.253 -17.253
  287   2HB   HIS  38           HB1      HIS  38  -6.662 -15.661 -15.661
  288    HD1  HIS  38           HD1      HIS  38  -5.496 -19.137 -19.137
  289    HD2  HIS  38           HD2      HIS  38  -3.754 -15.411 -15.411
  290    HE1  HIS  38           HE1      HIS  38  -3.104 -19.582 -19.582
  291    H    CYS  39           HN       CYS  39  -7.214 -13.946 -13.946
  292    HA   CYS  39           HA       CYS  39  -5.291 -12.075 -12.075
  293   1HB   CYS  39           HB2      CYS  39  -7.940 -12.021 -12.021
  294   2HB   CYS  39           HB1      CYS  39  -6.943 -10.861 -10.861
  295    H    LYS  40           HN       LYS  40  -6.070 -13.479 -13.479
  296    HA   LYS  40           HA       LYS  40  -4.239 -11.900 -11.900
  297   1HB   LYS  40           HB2      LYS  40  -4.660 -13.653 -13.653
  298   2HB   LYS  40           HB1      LYS  40  -6.164 -13.240 -13.240
  299   1HG   LYS  40           HG2      LYS  40  -5.748 -15.183 -15.183
  300   2HG   LYS  40           HG1      LYS  40  -4.393 -15.641 -15.641
  301   1HD   LYS  40           HD2      LYS  40  -6.139 -15.527 -15.527
  302   2HD   LYS  40           HD1      LYS  40  -7.335 -15.633 -15.633
  303   1HE   LYS  40           HE2      LYS  40  -5.131 -17.587 -17.587
  304   2HE   LYS  40           HE1      LYS  40  -6.170 -17.822 -17.822
  305   1HZ   LYS  40           HZ2      LYS  40  -8.108 -17.552 -17.552
  306   2HZ   LYS  40           HZ1      LYS  40  -7.061 -17.511 -17.511
  307   3HZ   LYS  40           HZ3      LYS  40  -7.173 -18.915 -18.915
  308    H    ALA  41           HN       ALA  41  -3.799 -14.581 -14.581
  309    HA   ALA  41           HA       ALA  41  -1.493 -15.857 -15.857
  310   1HB   ALA  41           HB2      ALA  41  -3.036 -15.766 -15.766
  311   2HB   ALA  41           HB1      ALA  41  -1.431 -15.289 -15.289
  312   3HB   ALA  41           HB3      ALA  41  -1.658 -16.830 -16.830
  313    H    LEU  42           HN       LEU  42  -1.795 -12.719 -12.719
  314    HA   LEU  42           HA       LEU  42   1.165 -12.353 -12.353
  315   1HB   LEU  42           HB1      LEU  42  -0.629 -11.902 -11.902
  316   2HB   LEU  42           HB2      LEU  42  -0.654 -10.323 -10.323
  317    HG   LEU  42           HG       LEU  42   1.885 -10.355 -10.355
  318   1HD1  LEU  42          HD11      LEU  42   1.301 -12.687 -12.687
  319   2HD1  LEU  42          HD13      LEU  42   2.871 -11.905 -11.905
  320   3HD1  LEU  42          HD12      LEU  42   2.156 -12.780 -12.780
  321   1HD2  LEU  42          HD22      LEU  42   0.246 -10.420 -10.420
  322   2HD2  LEU  42          HD21      LEU  42   0.643  -9.005  -9.005
  323   3HD2  LEU  42          HD23      LEU  42   1.910  -9.840  -9.840
  324    H    ALA  43           HN       ALA  43  -1.010 -12.085 -12.085
  325    HA   ALA  43           HA       ALA  43  -0.986  -9.272  -9.272
  326   1HB   ALA  43           HB1      ALA  43  -2.511 -11.404 -11.404
  327   2HB   ALA  43           HB3      ALA  43  -1.438 -11.433 -11.433
  328   3HB   ALA  43           HB2      ALA  43  -2.405  -9.998  -9.998
  329    HA   PRO  44           HA       PRO  44   2.399 -10.643 -10.643
  330   1HB   PRO  44           HB2      PRO  44   3.523 -13.118 -13.118
  331   2HB   PRO  44           HB1      PRO  44   2.075 -12.813 -12.813
  332   1HG   PRO  44           HG2      PRO  44   2.339 -14.094 -14.094
  333   2HG   PRO  44           HG1      PRO  44   1.110 -14.323 -14.323
  334   1HD   PRO  44           HD2      PRO  44   0.854 -12.806 -12.806
  335   2HD   PRO  44           HD1      PRO  44  -0.264 -12.836 -12.836
  336    H    GLU  45           HN       GLU  45   2.508 -11.171 -11.171
  337    HA   GLU  45           HA       GLU  45   5.471 -11.062 -11.062
  338   1HB   GLU  45           HB2      GLU  45   3.275 -11.076 -11.076
  339   2HB   GLU  45           HB1      GLU  45   4.993 -11.336 -11.336
  340   1HG   GLU  45           HG2      GLU  45   3.470 -13.075 -13.075
  341   2HG   GLU  45           HG1      GLU  45   3.489 -13.430 -13.430
  342    H    TYR  46           HN       TYR  46   2.598  -9.128  -9.128
  343    HA   TYR  46           HA       TYR  46   4.011  -6.854  -6.854
  344   1HB   TYR  46           HB2      TYR  46   1.814  -6.900  -6.900
  345   2HB   TYR  46           HB1      TYR  46   1.285  -7.734  -7.734
  346    HD1  TYR  46           HD2      TYR  46   2.395  -4.396  -4.396
  347    HD2  TYR  46           HD1      TYR  46   0.132  -6.559  -6.559
  348    HE1  TYR  46           HE2      TYR  46   1.511  -2.266  -2.266
  349    HE2  TYR  46           HE1      TYR  46  -0.759  -4.423  -4.423
  350    HH   TYR  46           HH       TYR  46  -1.137  -2.082  -2.082
  351    H    ALA  47           HN       ALA  47   3.300  -8.003  -8.003
  352    HA   ALA  47           HA       ALA  47   3.737  -5.383  -5.383
  353   1HB   ALA  47           HB3      ALA  47   2.101  -7.099  -7.099
  354   2HB   ALA  47           HB2      ALA  47   3.450  -8.185  -8.185
  355   3HB   ALA  47           HB1      ALA  47   3.286  -6.678  -6.678
  356    H    LYS  48           HN       LYS  48   5.540  -8.313  -8.313
  357    HA   LYS  48           HA       LYS  48   7.740  -7.791  -7.791
  358   1HB   LYS  48           HB2      LYS  48   7.090  -9.624  -9.624
  359   2HB   LYS  48           HB1      LYS  48   8.773  -9.495  -9.495
  360   1HG   LYS  48           HG2      LYS  48   8.292 -10.267 -10.267
  361   2HG   LYS  48           HG1      LYS  48   6.563  -9.965  -9.965
  362   1HD   LYS  48           HD2      LYS  48   6.616 -12.262 -12.262
  363   2HD   LYS  48           HD1      LYS  48   6.809 -11.704 -11.704
  364   1HE   LYS  48           HE2      LYS  48   8.837 -12.700 -12.700
  365   2HE   LYS  48           HE1      LYS  48   9.394 -11.803 -11.803
  366   1HZ   LYS  48           HZ2      LYS  48   8.168 -13.383 -13.383
  367   2HZ   LYS  48           HZ1      LYS  48   7.749 -14.278 -14.278
  368   3HZ   LYS  48           HZ3      LYS  48   9.374 -14.158 -14.158
  369    H    ALA  49           HN       ALA  49   6.862  -6.647  -6.647
  370    HA   ALA  49           HA       ALA  49   9.472  -5.981  -5.981
  371   1HB   ALA  49           HB3      ALA  49   6.976  -6.040  -6.040
  372   2HB   ALA  49           HB2      ALA  49   7.079  -4.315  -4.315
  373   3HB   ALA  49           HB1      ALA  49   8.243  -5.061  -5.061
  374    H    ALA  50           HN       ALA  50   6.998  -3.924  -3.924
  375    HA   ALA  50           HA       ALA  50   8.555  -1.556  -1.556
  376   1HB   ALA  50           HB3      ALA  50   6.020  -2.212  -2.212
  377   2HB   ALA  50           HB2      ALA  50   6.610  -2.345  -2.345
  378   3HB   ALA  50           HB1      ALA  50   6.754  -0.817  -0.817
  379    H    GLY  51           HN       GLY  51   8.677  -4.516  -4.516
  380   1HA   GLY  51           HA2      GLY  51  10.000  -3.389  -3.389
  381   2HA   GLY  51           HA1      GLY  51   9.910  -5.104  -5.104
  382    H    LYS  52           HN       LYS  52  11.035  -4.582  -4.582
  383    HA   LYS  52           HA       LYS  52  13.801  -5.030  -5.030
  384   1HB   LYS  52           HB2      LYS  52  12.181  -4.254  -4.254
  385   2HB   LYS  52           HB1      LYS  52  13.928  -4.477  -4.477
  386   1HG   LYS  52           HG2      LYS  52  12.280  -6.602  -6.602
  387   2HG   LYS  52           HG1      LYS  52  12.295  -6.513  -6.513
  388   1HD   LYS  52           HD2      LYS  52  14.981  -6.221  -6.221
  389   2HD   LYS  52           HD1      LYS  52  14.246  -7.696  -7.696
  390   1HE   LYS  52           HE2      LYS  52  13.478  -8.064  -8.064
  391   2HE   LYS  52           HE1      LYS  52  14.801  -6.939  -6.939
  392   1HZ   LYS  52           HZ3      LYS  52  16.147  -8.354  -8.354
  393   2HZ   LYS  52           HZ2      LYS  52  14.931  -9.527  -9.527
  394   3HZ   LYS  52           HZ1      LYS  52  15.839  -9.013  -9.013
  395    H    LEU  53           HN       LEU  53  11.939  -2.098  -2.098
  396    HA   LEU  53           HA       LEU  53  14.477  -0.517  -0.517
  397   1HB   LEU  53           HB1      LEU  53  13.449   1.130   1.130
  398   2HB   LEU  53           HB2      LEU  53  13.382  -0.453  -0.453
  399    HG   LEU  53           HG       LEU  53  11.027  -0.599  -0.599
  400   1HD1  LEU  53          HD12      LEU  53  11.812   2.268   2.268
  401   2HD1  LEU  53          HD11      LEU  53  10.155   1.930   1.930
  402   3HD1  LEU  53          HD13      LEU  53  10.752   1.314   1.314
  403   1HD2  LEU  53          HD21      LEU  53  11.553  -0.509  -0.509
  404   2HD2  LEU  53          HD23      LEU  53  10.011   0.222   0.222
  405   3HD2  LEU  53          HD22      LEU  53  11.405   1.246   1.246
  406    H    LYS  54           HN       LYS  54  12.033  -1.490  -1.490
  407    HA   LYS  54           HA       LYS  54  10.625   0.756   0.756
  408   1HB   LYS  54           HB2      LYS  54  10.210  -1.585  -1.585
  409   2HB   LYS  54           HB1      LYS  54  11.761  -1.649  -1.649
  410   1HG   LYS  54           HG2      LYS  54  10.283   0.631   0.631
  411   2HG   LYS  54           HG1      LYS  54   9.263  -0.804  -0.804
  412   1HD   LYS  54           HD2      LYS  54  10.912  -1.976  -1.976
  413   2HD   LYS  54           HD1      LYS  54  12.111  -0.712  -0.712
  414   1HE   LYS  54           HE2      LYS  54  10.833   0.882   0.882
  415   2HE   LYS  54           HE1      LYS  54   9.491  -0.270  -0.270
  416   1HZ   LYS  54           HZ2      LYS  54  11.032  -1.835  -1.835
  417   2HZ   LYS  54           HZ1      LYS  54  12.273  -0.678  -0.678
  418   3HZ   LYS  54           HZ3      LYS  54  10.915  -0.393  -0.393
  419    H    ALA  55           HN       ALA  55  13.905  -0.371  -0.371
  420    HA   ALA  55           HA       ALA  55  14.277   1.964   1.964
  421   1HB   ALA  55           HB2      ALA  55  14.927  -0.708  -0.708
  422   2HB   ALA  55           HB1      ALA  55  16.450   0.009   0.009
  423   3HB   ALA  55           HB3      ALA  55  15.682   0.566   0.566
  424    H    GLU  56           HN       GLU  56  14.661   1.349   1.349
  425    HA   GLU  56           HA       GLU  56  17.327   2.247   2.247
  426   1HB   GLU  56           HB1      GLU  56  15.031   1.377   1.377
  427   2HB   GLU  56           HB2      GLU  56  15.358   2.992   2.992
  428   1HG   GLU  56           HG2      GLU  56  17.843   1.567   1.567
  429   2HG   GLU  56           HG1      GLU  56  16.702   0.576   0.576
  430    H    GLY  57           HN       GLY  57  14.222   4.003   4.003
  431   1HA   GLY  57           HA1      GLY  57  14.169   6.244   6.244
  432   2HA   GLY  57           HA2      GLY  57  15.778   6.519   6.519
  433    H    SER  58           HN       SER  58  13.684   4.872   4.872
  434    HA   SER  58           HA       SER  58  13.689   7.136   7.136
  435   1HB   SER  58           HB2      SER  58  12.889   4.275   4.275
  436   2HB   SER  58           HB1      SER  58  12.020   5.280   5.280
  437    HG   SER  58           HG       SER  58  14.748   4.662   4.662
  438    H    GLU  59           HN       GLU  59  11.552   7.857   7.857
  439    HA   GLU  59           HA       GLU  59   9.592   8.363   8.363
  440   1HB   GLU  59           HB1      GLU  59   8.806  10.129  10.129
  441   2HB   GLU  59           HB2      GLU  59  10.496  10.298  10.298
  442   1HG   GLU  59           HG2      GLU  59  10.530  10.576  10.576
  443   2HG   GLU  59           HG1      GLU  59  11.010   8.896   8.896
  444    H    ILE  60           HN       ILE  60   9.969   6.161   6.161
  445    HA   ILE  60           HA       ILE  60   7.351   6.091   6.091
  446    HB   ILE  60           HB       ILE  60   9.298   3.822   3.822
  447   1HG1  ILE  60          HG12      ILE  60   9.508   5.052   5.052
  448   2HG1  ILE  60          HG11      ILE  60   9.797   6.249   6.249
  449   1HG2  ILE  60          HG22      ILE  60   6.890   4.200   4.200
  450   2HG2  ILE  60          HG21      ILE  60   8.261   3.488   3.488
  451   3HG2  ILE  60          HG23      ILE  60   7.621   2.713   2.713
  452   1HD1  ILE  60          HD11      ILE  60  11.195   4.074   4.074
  453   2HD1  ILE  60          HD13      ILE  60  11.425   3.927   3.927
  454   3HD1  ILE  60          HD12      ILE  60  11.908   5.406   5.406
  455    H    ARG  61           HN       ARG  61   5.790   4.229   4.229
  456    HA   ARG  61           HA       ARG  61   5.811   2.949   2.949
  457   1HB   ARG  61           HB2      ARG  61   4.455   5.534   5.534
  458   2HB   ARG  61           HB1      ARG  61   3.512   4.345   4.345
  459   1HG   ARG  61           HG1      ARG  61   5.869   4.107   4.107
  460   2HG   ARG  61           HG2      ARG  61   5.984   5.793   5.793
  461   1HD   ARG  61           HD2      ARG  61   4.490   6.418   6.418
  462   2HD   ARG  61           HD1      ARG  61   3.324   5.204   5.204
  463    HE   ARG  61           HE       ARG  61   4.313   3.600   3.600
  464   1HH1  ARG  61          HH21      ARG  61   7.119   3.991   3.991
  465   2HH1  ARG  61          HH22      ARG  61   7.432   4.899   4.899
  466   1HH2  ARG  61          HH11      ARG  61   4.146   5.944   5.944
  467   2HH2  ARG  61          HH12      ARG  61   5.748   6.006   6.006
  468    H    LEU  62           HN       LEU  62   4.270   1.285   1.285
  469    HA   LEU  62           HA       LEU  62   2.752   0.774   0.774
  470   1HB   LEU  62           HB2      LEU  62   3.766  -0.865  -0.865
  471   2HB   LEU  62           HB1      LEU  62   2.579  -1.526  -1.526
  472    HG   LEU  62           HG       LEU  62   4.226  -0.737  -0.737
  473   1HD1  LEU  62          HD12      LEU  62   5.657  -0.062  -0.062
  474   2HD1  LEU  62          HD11      LEU  62   6.586  -1.192  -1.192
  475   3HD1  LEU  62          HD13      LEU  62   6.053   0.342   0.342
  476   1HD2  LEU  62          HD22      LEU  62   3.733  -3.125  -3.125
  477   2HD2  LEU  62          HD21      LEU  62   5.224  -2.877  -2.877
  478   3HD2  LEU  62          HD23      LEU  62   5.269  -2.970  -2.970
  479    H    ALA  63           HN       ALA  63   0.466   0.317   0.317
  480    HA   ALA  63           HA       ALA  63  -0.858   0.609   0.609
  481   1HB   ALA  63           HB2      ALA  63  -0.420   2.816   2.816
  482   2HB   ALA  63           HB1      ALA  63  -1.908   2.275   2.275
  483   3HB   ALA  63           HB3      ALA  63  -1.890   2.612   2.612
  484    H    LYS  64           HN       LYS  64  -3.110  -0.090  -0.090
  485    HA   LYS  64           HA       LYS  64  -3.844  -1.640  -1.640
  486   1HB   LYS  64           HB1      LYS  64  -2.989  -2.644  -2.644
  487   2HB   LYS  64           HB2      LYS  64  -4.743  -2.707  -2.707
  488   1HG   LYS  64           HG2      LYS  64  -4.798  -3.825  -3.825
  489   2HG   LYS  64           HG1      LYS  64  -3.043  -3.960  -3.960
  490   1HD   LYS  64           HD2      LYS  64  -4.259  -4.877  -4.877
  491   2HD   LYS  64           HD1      LYS  64  -4.959  -5.731  -5.731
  492   1HE   LYS  64           HE2      LYS  64  -2.171  -5.592  -5.592
  493   2HE   LYS  64           HE1      LYS  64  -2.360  -6.099  -6.099
  494   1HZ   LYS  64           HZ2      LYS  64  -4.046  -7.224  -7.224
  495   2HZ   LYS  64           HZ1      LYS  64  -2.529  -7.896  -7.896
  496   3HZ   LYS  64           HZ3      LYS  64  -3.745  -7.862  -7.862
  497    H    VAL  65           HN       VAL  65  -6.161  -1.897  -1.897
  498    HA   VAL  65           HA       VAL  65  -7.882  -0.126  -0.126
  499    HB   VAL  65           HB       VAL  65  -7.634  -0.213  -0.213
  500   1HG1  VAL  65          HG12      VAL  65  -9.998   0.026   0.026
  501   2HG1  VAL  65          HG11      VAL  65  -9.504   1.456   1.456
  502   3HG1  VAL  65          HG13      VAL  65  -9.410   1.453   1.453
  503   1HG2  VAL  65          HG23      VAL  65  -5.908   1.072   1.072
  504   2HG2  VAL  65          HG22      VAL  65  -6.852   2.061   2.061
  505   3HG2  VAL  65          HG21      VAL  65  -7.219   2.079   2.079
  506    H    ASP  66           HN       ASP  66  -9.942  -0.961  -0.961
  507    HA   ASP  66           HA       ASP  66 -10.452  -3.720  -3.720
  508   1HB   ASP  66           HB2      ASP  66 -11.553  -1.795  -1.795
  509   2HB   ASP  66           HB1      ASP  66 -12.555  -3.157  -3.157
  510    H    ALA  67           HN       ALA  67 -10.982  -3.449  -3.449
  511    HA   ALA  67           HA       ALA  67 -12.556  -1.495  -1.495
  512   1HB   ALA  67           HB2      ALA  67 -11.283  -3.646  -3.646
  513   2HB   ALA  67           HB1      ALA  67 -12.870  -4.403  -4.403
  514   3HB   ALA  67           HB3      ALA  67 -12.644  -3.025  -3.025
  515    H    THR  68           HN       THR  68 -13.606  -4.185  -4.185
  516    HA   THR  68           HA       THR  68 -16.434  -3.948  -3.948
  517    HB   THR  68           HB       THR  68 -15.383  -6.035  -6.035
  518    HG1  THR  68           HG1      THR  68 -17.109  -5.029  -5.029
  519   1HG2  THR  68          HG23      THR  68 -14.630  -4.280  -4.280
  520   2HG2  THR  68          HG22      THR  68 -14.868  -6.006  -6.006
  521   3HG2  THR  68          HG21      THR  68 -13.650  -5.455  -5.455
  522    H    GLU  69           HN       GLU  69 -14.261  -2.308  -2.308
  523    HA   GLU  69           HA       GLU  69 -16.568  -1.133  -1.133
  524   1HB   GLU  69           HB2      GLU  69 -14.417  -2.451  -2.451
  525   2HB   GLU  69           HB1      GLU  69 -13.731  -0.828  -0.828
  526   1HG   GLU  69           HG1      GLU  69 -15.343   0.044   0.044
  527   2HG   GLU  69           HG2      GLU  69 -16.422  -1.330  -1.330
  528    H    GLU  70           HN       GLU  70 -13.365  -0.271  -0.271
  529    HA   GLU  70           HA       GLU  70 -14.173   2.590   2.590
  530   1HB   GLU  70           HB2      GLU  70 -11.607   1.050   1.050
  531   2HB   GLU  70           HB1      GLU  70 -11.731   2.796   2.796
  532   1HG   GLU  70           HG2      GLU  70 -11.503   3.113   3.113
  533   2HG   GLU  70           HG1      GLU  70 -12.900   2.083   2.083
  534    H    SER  71           HN       SER  71 -15.639   0.978   0.978
  535    HA   SER  71           HA       SER  71 -14.488   0.817   0.817
  536   1HB   SER  71           HB2      SER  71 -17.092   0.834   0.834
  537   2HB   SER  71           HB1      SER  71 -16.358  -0.522  -0.522
  538    HG   SER  71           HG       SER  71 -18.325   0.762   0.762
  539    H    ASP  72           HN       ASP  72 -15.807   3.465   3.465
  540    HA   ASP  72           HA       ASP  72 -16.845   5.194   5.194
  541   1HB   ASP  72           HB1      ASP  72 -15.465   5.388   5.388
  542   2HB   ASP  72           HB2      ASP  72 -15.442   6.866   6.866
  543    H    LEU  73           HN       LEU  73 -13.431   4.578   4.578
  544    HA   LEU  73           HA       LEU  73 -12.500   6.524   6.524
  545   1HB   LEU  73           HB1      LEU  73 -11.100   4.488   4.488
  546   2HB   LEU  73           HB2      LEU  73 -10.277   5.713   5.713
  547    HG   LEU  73           HG       LEU  73 -12.273   7.074   7.074
  548   1HD1  LEU  73          HD11      LEU  73 -12.038   4.825   4.825
  549   2HD1  LEU  73          HD13      LEU  73 -10.543   5.565   5.565
  550   3HD1  LEU  73          HD12      LEU  73 -12.088   6.369   6.369
  551   1HD2  LEU  73          HD23      LEU  73  -9.362   7.014   7.014
  552   2HD2  LEU  73          HD22      LEU  73 -10.440   8.398   8.398
  553   3HD2  LEU  73          HD21      LEU  73  -9.853   7.551   7.551
  554    H    ALA  74           HN       ALA  74 -12.458   2.990   2.990
  555    HA   ALA  74           HA       ALA  74 -11.074   2.244   2.244
  556   1HB   ALA  74           HB3      ALA  74 -12.491   1.053   1.053
  557   2HB   ALA  74           HB2      ALA  74 -13.361   0.542   0.542
  558   3HB   ALA  74           HB1      ALA  74 -11.639   0.199   0.199
  559    H    GLN  75           HN       GLN  75 -14.642   2.415   2.415
  560    HA   GLN  75           HA       GLN  75 -15.324   2.012   2.012
  561   1HB   GLN  75           HB2      GLN  75 -16.610   3.622   3.622
  562   2HB   GLN  75           HB1      GLN  75 -17.425   3.235   3.235
  563   1HG   GLN  75           HG1      GLN  75 -16.816   0.777   0.777
  564   2HG   GLN  75           HG2      GLN  75 -16.500   1.346   1.346
  565   1HE2  GLN  75          HE22      GLN  75 -20.120   0.328   0.328
  566   2HE2  GLN  75          HE21      GLN  75 -18.654  -0.477  -0.477
  567    H    GLN  76           HN       GLN  76 -13.998   4.820   4.820
  568    HA   GLN  76           HA       GLN  76 -14.812   6.811   6.811
  569   1HB   GLN  76           HB2      GLN  76 -13.647   6.771   6.771
  570   2HB   GLN  76           HB1      GLN  76 -12.242   7.104   7.104
  571   1HG   GLN  76           HG2      GLN  76 -13.887   8.850   8.850
  572   2HG   GLN  76           HG1      GLN  76 -14.710   8.750   8.750
  573   1HE2  GLN  76          HE22      GLN  76 -11.675   9.944   9.944
  574   2HE2  GLN  76          HE21      GLN  76 -12.743   8.629   8.629
  575    H    TYR  77           HN       TYR  77 -12.043   4.622   4.622
  576    HA   TYR  77           HA       TYR  77 -10.747   5.798   5.798
  577   1HB   TYR  77           HB2      TYR  77 -10.135   3.568   3.568
  578   2HB   TYR  77           HB1      TYR  77  -9.114   3.899   3.899
  579    HD1  TYR  77           HD2      TYR  77  -8.497   6.487   6.487
  580    HD2  TYR  77           HD1      TYR  77  -9.612   4.631   4.631
  581    HE1  TYR  77           HE2      TYR  77  -7.379   8.314   8.314
  582    HE2  TYR  77           HE1      TYR  77  -8.494   6.459   6.459
  583    HH   TYR  77           HH       TYR  77  -7.724   8.660   8.660
  584    H    GLY  78           HN       GLY  78 -12.211   2.696   2.696
  585   1HA   GLY  78           HA1      GLY  78 -13.752   1.737   1.737
  586   2HA   GLY  78           HA2      GLY  78 -12.385   1.977   1.977
  587    H    VAL  79           HN       VAL  79 -12.448   0.768   0.768
  588    HA   VAL  79           HA       VAL  79 -10.747  -1.510  -1.510
  589    HB   VAL  79           HB       VAL  79 -11.843  -0.642  -0.642
  590   1HG1  VAL  79          HG13      VAL  79 -10.828  -3.023  -3.023
  591   2HG1  VAL  79          HG12      VAL  79  -9.293  -2.157  -2.157
  592   3HG1  VAL  79          HG11      VAL  79 -10.297  -2.104  -2.104
  593   1HG2  VAL  79          HG21      VAL  79 -10.491   1.109   1.109
  594   2HG2  VAL  79          HG23      VAL  79  -9.763   0.564   0.564
  595   3HG2  VAL  79          HG22      VAL  79  -9.145  -0.029  -0.029
  596    H    ARG  80           HN       ARG  80 -11.752  -3.361  -3.361
  597    HA   ARG  80           HA       ARG  80 -14.200  -4.264  -4.264
  598   1HB   ARG  80           HB2      ARG  80 -15.125  -4.904  -4.904
  599   2HB   ARG  80           HB1      ARG  80 -14.898  -3.164  -3.164
  600   1HG   ARG  80           HG2      ARG  80 -12.659  -3.417  -3.417
  601   2HG   ARG  80           HG1      ARG  80 -13.067  -5.105  -5.105
  602   1HD   ARG  80           HD2      ARG  80 -15.308  -3.931  -3.931
  603   2HD   ARG  80           HD1      ARG  80 -14.131  -2.640  -2.640
  604    HE   ARG  80           HE       ARG  80 -13.385  -5.412  -5.412
  605   1HH1  ARG  80          HH21      ARG  80 -11.688  -3.296  -3.296
  606   2HH1  ARG  80          HH22      ARG  80 -12.346  -2.946  -2.946
  607   1HH2  ARG  80          HH11      ARG  80 -15.382  -4.494  -4.494
  608   2HH2  ARG  80          HH12      ARG  80 -14.436  -3.624  -3.624
  609    H    GLY  81           HN       GLY  81 -11.249  -5.026  -5.026
  610   1HA   GLY  81           HA2      GLY  81 -11.666  -7.915  -7.915
  611   2HA   GLY  81           HA1      GLY  81 -10.589  -7.326  -7.326
  612    H    TYR  82           HN       TYR  82 -10.957  -7.819  -7.819
  613    HA   TYR  82           HA       TYR  82  -8.429  -6.536  -6.536
  614   1HB   TYR  82           HB1      TYR  82 -10.031  -8.554  -8.554
  615   2HB   TYR  82           HB2      TYR  82  -9.005  -7.260  -7.260
  616    HD1  TYR  82           HD1      TYR  82  -9.787  -4.905  -4.905
  617    HD2  TYR  82           HD2      TYR  82 -12.245  -8.114  -8.114
  618    HE1  TYR  82           HE1      TYR  82 -11.747  -3.385  -3.385
  619    HE2  TYR  82           HE2      TYR  82 -14.204  -6.595  -6.595
  620    HH   TYR  82           HH       TYR  82 -14.738  -4.241  -4.241
  621    HA   PRO  83           HA       PRO  83  -7.142  -6.938  -6.938
  622   1HB   PRO  83           HB1      PRO  83  -4.442  -7.136  -7.136
  623   2HB   PRO  83           HB2      PRO  83  -5.595  -8.134  -8.134
  624   1HG   PRO  83           HG2      PRO  83  -3.823  -8.856  -8.856
  625   2HG   PRO  83           HG1      PRO  83  -4.493  -9.869  -9.869
  626   1HD   PRO  83           HD2      PRO  83  -5.397  -9.669  -9.669
  627   2HD   PRO  83           HD1      PRO  83  -6.178 -10.539 -10.539
  628    H    THR  84           HN       THR  84  -7.021  -4.888  -4.888
  629    HA   THR  84           HA       THR  84  -5.454  -4.496  -4.496
  630    HB   THR  84           HB       THR  84  -7.459  -2.743  -2.743
  631    HG1  THR  84           HG1      THR  84  -8.527  -4.515  -4.515
  632   1HG2  THR  84          HG21      THR  84  -5.764  -2.371  -2.371
  633   2HG2  THR  84          HG23      THR  84  -7.475  -2.119  -2.119
  634   3HG2  THR  84          HG22      THR  84  -6.682  -1.181  -1.181
  635    H    ILE  85           HN       ILE  85  -3.313  -4.347  -4.347
  636    HA   ILE  85           HA       ILE  85  -2.712  -2.518  -2.518
  637    HB   ILE  85           HB       ILE  85  -0.949  -3.784  -3.784
  638   1HG1  ILE  85          HG12      ILE  85  -0.818  -5.091  -5.091
  639   2HG1  ILE  85          HG11      ILE  85  -2.516  -4.959  -4.959
  640   1HG2  ILE  85          HG22      ILE  85  -0.360  -2.663  -2.663
  641   2HG2  ILE  85          HG21      ILE  85   0.795  -3.575  -3.575
  642   3HG2  ILE  85          HG23      ILE  85   0.202  -2.013  -2.013
  643   1HD1  ILE  85          HD13      ILE  85  -0.446  -5.898  -5.898
  644   2HD1  ILE  85          HD12      ILE  85  -1.196  -7.023  -7.023
  645   3HD1  ILE  85          HD11      ILE  85  -2.192  -6.148  -6.148
  646    H    LYS  86           HN       LYS  86  -1.988  -0.380  -0.380
  647    HA   LYS  86           HA       LYS  86  -1.624   0.774   0.774
  648   1HB   LYS  86           HB2      LYS  86  -3.810   1.117   1.117
  649   2HB   LYS  86           HB1      LYS  86  -2.886   2.616   2.616
  650   1HG   LYS  86           HG1      LYS  86  -3.831   3.217   3.217
  651   2HG   LYS  86           HG2      LYS  86  -2.927   1.914   1.914
  652   1HD   LYS  86           HD2      LYS  86  -4.784   0.651   0.651
  653   2HD   LYS  86           HD1      LYS  86  -5.298   0.939   0.939
  654   1HE   LYS  86           HE2      LYS  86  -6.980   2.139   2.139
  655   2HE   LYS  86           HE1      LYS  86  -5.740   3.404   3.404
  656   1HZ   LYS  86           HZ3      LYS  86  -5.015   2.249   2.249
  657   2HZ   LYS  86           HZ2      LYS  86  -6.466   1.368   1.368
  658   3HZ   LYS  86           HZ1      LYS  86  -6.503   3.059   3.059
  659    H    PHE  87           HN       PHE  87  -0.010   2.361   2.361
  660    HA   PHE  87           HA       PHE  87   1.431   2.969   2.969
  661   1HB   PHE  87           HB2      PHE  87   2.684   1.472   1.472
  662   2HB   PHE  87           HB1      PHE  87   2.408   2.522   2.522
  663    HD1  PHE  87           HD1      PHE  87   3.403   3.309   3.309
  664    HD2  PHE  87           HD2      PHE  87   4.477   3.423   3.423
  665    HE1  PHE  87           HE1      PHE  87   5.442   4.601   4.601
  666    HE2  PHE  87           HE2      PHE  87   6.517   4.715   4.715
  667    HZ   PHE  87           HZ       PHE  87   7.000   5.304   5.304
  668    H    PHE  88           HN       PHE  88   1.168   5.115   5.115
  669    HA   PHE  88           HA       PHE  88   0.780   7.081   7.081
  670   1HB   PHE  88           HB1      PHE  88  -0.035   6.866   6.866
  671   2HB   PHE  88           HB2      PHE  88   0.004   8.445   8.445
  672    HD1  PHE  88           HD2      PHE  88  -1.456   8.928   8.928
  673    HD2  PHE  88           HD1      PHE  88  -1.673   5.194   5.194
  674    HE1  PHE  88           HE2      PHE  88  -3.643   8.450   8.450
  675    HE2  PHE  88           HE1      PHE  88  -3.860   4.718   4.718
  676    HZ   PHE  88           HZ       PHE  88  -4.845   6.344   6.344
  677    H    ARG  89           HN       ARG  89   2.180   8.883   8.883
  678    HA   ARG  89           HA       ARG  89   4.523   8.833   8.833
  679   1HB   ARG  89           HB2      ARG  89   5.029   8.160   8.160
  680   2HB   ARG  89           HB1      ARG  89   4.292   9.641   9.641
  681   1HG   ARG  89           HG2      ARG  89   6.316  10.151  10.151
  682   2HG   ARG  89           HG1      ARG  89   6.973   9.321   9.321
  683   1HD   ARG  89           HD2      ARG  89   5.132  11.458  11.458
  684   2HD   ARG  89           HD1      ARG  89   6.503  12.062  12.062
  685    HE   ARG  89           HE       ARG  89   7.314  10.114  10.114
  686   1HH1  ARG  89          HH21      ARG  89   9.300  12.029  12.029
  687   2HH1  ARG  89          HH22      ARG  89   9.050  13.255  13.255
  688   1HH2  ARG  89          HH11      ARG  89   5.791  12.291  12.291
  689   2HH2  ARG  89          HH12      ARG  89   7.063  13.403  13.403
  690    H    ASN  90           HN       ASN  90   4.414  10.555  10.555
  691    HA   ASN  90           HA       ASN  90   3.963  12.725  12.725
  692   1HB   ASN  90           HB1      ASN  90   5.828  12.966  12.966
  693   2HB   ASN  90           HB2      ASN  90   4.613  13.401  13.401
  694   1HD2  ASN  90          HD22      ASN  90   4.977  16.760  16.760
  695   2HD2  ASN  90          HD21      ASN  90   5.033  15.643  15.643
  696    H    GLY  91           HN       GLY  91   1.596  11.331  11.331
  697   1HA   GLY  91           HA1      GLY  91  -0.663  11.869  11.869
  698   2HA   GLY  91           HA2      GLY  91  -0.204  13.570  13.570
  699    H    ASP  92           HN       ASP  92  -1.021  10.928  10.928
  700    HA   ASP  92           HA       ASP  92  -0.373  12.556  12.556
  701   1HB   ASP  92           HB2      ASP  92   0.561  10.158  10.158
  702   2HB   ASP  92           HB1      ASP  92  -1.044   9.621   9.621
  703    H    THR  93           HN       THR  93  -2.792  10.176  10.176
  704    HA   THR  93           HA       THR  93  -5.079   9.926   9.926
  705    HB   THR  93           HB       THR  93  -6.239  12.202  12.202
  706    HG1  THR  93           HG1      THR  93  -4.736  13.752  13.752
  707   1HG2  THR  93          HG22      THR  93  -5.720  10.485  10.485
  708   2HG2  THR  93          HG21      THR  93  -4.256  11.403  11.403
  709   3HG2  THR  93          HG23      THR  93  -5.839  12.148  12.148
  710    H    ALA  94           HN       ALA  94  -3.660   9.834   9.834
  711    HA   ALA  94           HA       ALA  94  -5.607  10.787  10.787
  712   1HB   ALA  94           HB1      ALA  94  -3.483  12.539  12.539
  713   2HB   ALA  94           HB3      ALA  94  -3.274  12.157  12.157
  714   3HB   ALA  94           HB2      ALA  94  -4.783  12.872  12.872
  715    H    SER  95           HN       SER  95  -2.057  10.376  10.376
  716    HA   SER  95           HA       SER  95  -2.432   8.127   8.127
  717   1HB   SER  95           HB1      SER  95  -0.336   8.972   8.972
  718   2HB   SER  95           HB2      SER  95  -1.596  10.206  10.206
  719    HG   SER  95           HG       SER  95  -0.424  11.371  11.371
  720    HA   PRO  96           HA       PRO  96   0.159   6.914   6.914
  721   1HB   PRO  96           HB2      PRO  96  -1.477   4.935   4.935
  722   2HB   PRO  96           HB1      PRO  96  -1.604   6.626   6.626
  723   1HG   PRO  96           HG2      PRO  96  -3.248   5.110   5.110
  724   2HG   PRO  96           HG1      PRO  96  -3.746   6.330   6.330
  725   1HD   PRO  96           HD2      PRO  96  -3.420   6.844   6.844
  726   2HD   PRO  96           HD1      PRO  96  -3.247   8.071   8.071
  727    H    LYS  97           HN       LYS  97   1.043   4.613   4.613
  728    HA   LYS  97           HA       LYS  97   0.995   3.114   3.114
  729   1HB   LYS  97           HB1      LYS  97   3.076   4.032   4.032
  730   2HB   LYS  97           HB2      LYS  97   3.284   2.370   2.370
  731   1HG   LYS  97           HG2      LYS  97   2.639   4.521   4.521
  732   2HG   LYS  97           HG1      LYS  97   4.295   4.345   4.345
  733   1HD   LYS  97           HD2      LYS  97   4.004   1.829   1.829
  734   2HD   LYS  97           HD1      LYS  97   2.618   2.353   2.353
  735   1HE   LYS  97           HE2      LYS  97   4.542   4.154   4.154
  736   2HE   LYS  97           HE1      LYS  97   5.497   2.677   2.677
  737   1HZ   LYS  97           HZ3      LYS  97   3.595   1.513   1.513
  738   2HZ   LYS  97           HZ2      LYS  97   3.107   3.060   3.060
  739   3HZ   LYS  97           HZ1      LYS  97   4.632   2.459   2.459
  740    H    GLU  98           HN       GLU  98   0.683   0.861   0.861
  741    HA   GLU  98           HA       GLU  98  -0.341  -0.197  -0.197
  742   1HB   GLU  98           HB2      GLU  98  -1.159  -2.014  -2.014
  743   2HB   GLU  98           HB1      GLU  98  -1.620  -0.432  -0.432
  744   1HG   GLU  98           HG1      GLU  98   1.006  -1.276  -1.276
  745   2HG   GLU  98           HG2      GLU  98  -0.264  -2.414  -2.414
  746    H    TYR  99           HN       TYR  99   0.404  -2.365  -2.365
  747    HA   TYR  99           HA       TYR  99   3.330  -2.623  -2.623
  748   1HB   TYR  99           HB1      TYR  99   1.370  -3.075  -3.075
  749   2HB   TYR  99           HB2      TYR  99   1.859  -4.701  -4.701
  750    HD1  TYR  99           HD2      TYR  99   4.633  -4.598  -4.598
  751    HD2  TYR  99           HD1      TYR  99   2.484  -2.407  -2.407
  752    HE1  TYR  99           HE2      TYR  99   6.718  -4.368  -4.368
  753    HE2  TYR  99           HE1      TYR  99   4.569  -2.179  -2.179
  754    HH   TYR  99           HH       TYR  99   7.393  -3.984  -3.984
  755    H    THR 100           HN       THR 100   4.312  -4.004  -4.004
  756    HA   THR 100           HA       THR 100   2.639  -5.914  -5.914
  757    HB   THR 100           HB       THR 100   4.670  -5.981  -5.981
  758    HG1  THR 100           HG1      THR 100   6.437  -4.751  -4.751
  759   1HG2  THR 100          HG22      THR 100   2.924  -4.133  -4.133
  760   2HG2  THR 100          HG21      THR 100   4.044  -3.124  -3.124
  761   3HG2  THR 100          HG23      THR 100   4.507  -3.739  -3.739
  762    H    ALA 101           HN       ALA 101   3.780  -6.250  -6.250
  763    HA   ALA 101           HA       ALA 101   5.187  -8.855  -8.855
  764   1HB   ALA 101           HB2      ALA 101   6.067  -6.654  -6.654
  765   2HB   ALA 101           HB1      ALA 101   5.283  -7.519  -7.519
  766   3HB   ALA 101           HB3      ALA 101   6.578  -8.293  -8.293
  767    H    GLY 102           HN       GLY 102   4.884  -9.987  -9.987
  768   1HA   GLY 102           HA2      GLY 102   2.704 -10.028 -10.028
  769   2HA   GLY 102           HA1      GLY 102   1.980 -10.576 -10.576
  770    H    ARG 103           HN       ARG 103   4.317 -11.399 -11.399
  771    HA   ARG 103           HA       ARG 103   3.791 -14.237 -14.237
  772   1HB   ARG 103           HB1      ARG 103   5.684 -13.023 -13.023
  773   2HB   ARG 103           HB2      ARG 103   6.618 -13.918 -13.918
  774   1HG   ARG 103           HG2      ARG 103   4.311 -15.447 -15.447
  775   2HG   ARG 103           HG1      ARG 103   5.355 -14.991 -14.991
  776   1HD   ARG 103           HD2      ARG 103   7.269 -15.774 -15.774
  777   2HD   ARG 103           HD1      ARG 103   5.939 -16.778 -16.778
  778    HE   ARG 103           HE       ARG 103   7.166 -16.994 -16.994
  779   1HH1  ARG 103          HH11      ARG 103   4.858 -17.212 -17.212
  780   2HH1  ARG 103          HH12      ARG 103   4.072 -18.677 -18.677
  781   1HH2  ARG 103          HH21      ARG 103   5.984 -19.068 -19.068
  782   2HH2  ARG 103          HH22      ARG 103   4.709 -19.728 -19.728
  783    H    GLU 104           HN       GLU 104   6.010 -11.742 -11.742
  784    HA   GLU 104           HA       GLU 104   5.818 -12.729 -12.729
  785   1HB   GLU 104           HB2      GLU 104   8.221 -13.429 -13.429
  786   2HB   GLU 104           HB1      GLU 104   7.268 -14.445 -14.445
  787   1HG   GLU 104           HG1      GLU 104   8.082 -13.208 -13.208
  788   2HG   GLU 104           HG2      GLU 104   8.951 -12.084 -12.084
  789    H    ALA 105           HN       ALA 105   7.049 -11.333 -11.333
  790    HA   ALA 105           HA       ALA 105   7.021  -8.592  -8.592
  791   1HB   ALA 105           HB2      ALA 105   7.423 -10.001 -10.001
  792   2HB   ALA 105           HB1      ALA 105   9.130  -9.904  -9.904
  793   3HB   ALA 105           HB3      ALA 105   8.217  -8.430  -8.430
  794    H    ASP 106           HN       ASP 106   9.453 -10.927 -10.927
  795    HA   ASP 106           HA       ASP 106  11.587  -9.049  -9.049
  796   1HB   ASP 106           HB2      ASP 106  10.886 -11.891 -11.891
  797   2HB   ASP 106           HB1      ASP 106  12.101 -11.176 -11.176
  798    H    ASP 107           HN       ASP 107   8.717 -10.004 -10.004
  799    HA   ASP 107           HA       ASP 107   9.665  -9.142  -9.142
  800   1HB   ASP 107           HB2      ASP 107   7.310 -10.332 -10.332
  801   2HB   ASP 107           HB1      ASP 107   6.879  -9.170  -9.170
  802    H    ILE 108           HN       ILE 108   8.117  -7.644  -7.644
  803    HA   ILE 108           HA       ILE 108   7.309  -5.244  -5.244
  804    HB   ILE 108           HB       ILE 108   7.239  -6.079  -6.079
  805   1HG1  ILE 108          HG12      ILE 108   5.125  -5.906  -5.906
  806   2HG1  ILE 108          HG11      ILE 108   5.771  -7.384  -7.384
  807   1HG2  ILE 108          HG21      ILE 108   7.301  -3.516  -3.516
  808   2HG2  ILE 108          HG23      ILE 108   5.647  -3.798  -3.798
  809   3HG2  ILE 108          HG22      ILE 108   6.093  -4.111  -4.111
  810   1HD1  ILE 108          HD11      ILE 108   4.971  -6.402  -6.402
  811   2HD1  ILE 108          HD13      ILE 108   4.003  -5.302  -5.302
  812   3HD1  ILE 108          HD12      ILE 108   3.746  -7.045  -7.045
  813    H    VAL 109           HN       VAL 109   9.793  -6.203  -6.203
  814    HA   VAL 109           HA       VAL 109  10.914  -3.672  -3.672
  815    HB   VAL 109           HB       VAL 109  12.204  -6.396  -6.396
  816   1HG1  VAL 109          HG23      VAL 109  13.455  -3.916  -3.916
  817   2HG1  VAL 109          HG22      VAL 109  13.400  -4.605  -4.605
  818   3HG1  VAL 109          HG21      VAL 109  14.171  -5.498  -5.498
  819   1HG2  VAL 109          HG13      VAL 109  10.236  -5.821  -5.821
  820   2HG2  VAL 109          HG12      VAL 109  11.581  -6.867  -6.867
  821   3HG2  VAL 109          HG11      VAL 109  11.583  -5.170  -5.170
  822    H    ASN 110           HN       ASN 110  11.604  -5.892  -5.892
  823    HA   ASN 110           HA       ASN 110  13.728  -4.490  -4.490
  824   1HB   ASN 110           HB1      ASN 110  11.574  -6.370  -6.370
  825   2HB   ASN 110           HB2      ASN 110  12.370  -5.503  -5.503
  826   1HD2  ASN 110          HD22      ASN 110  14.548  -8.171  -8.171
  827   2HD2  ASN 110          HD21      ASN 110  13.097  -7.547  -7.547
  828    H    TRP 111           HN       TRP 111  10.237  -4.166  -4.166
  829    HA   TRP 111           HA       TRP 111  10.429  -2.029  -2.029
  830   1HB   TRP 111           HB2      TRP 111   8.476  -3.554  -3.554
  831   2HB   TRP 111           HB1      TRP 111   8.130  -1.914  -1.914
  832    HD1  TRP 111           HD1      TRP 111   8.390  -4.027  -4.027
  833    HE1  TRP 111           HE1      TRP 111   7.200  -2.785  -2.785
  834    HE3  TRP 111           HE3      TRP 111   7.368   0.406   0.406
  835    HZ2  TRP 111           HZ2      TRP 111   5.976  -0.247  -0.247
  836    HZ3  TRP 111           HZ3      TRP 111   6.189   2.217   2.217
  837    HH2  TRP 111           HH2      TRP 111   5.493   1.896   1.896
  838    H    LEU 112           HN       LEU 112  10.124  -1.967  -1.967
  839    HA   LEU 112           HA       LEU 112   9.991   0.889   0.889
  840   1HB   LEU 112           HB2      LEU 112  10.724  -1.463  -1.463
  841   2HB   LEU 112           HB1      LEU 112  10.889   0.180   0.180
  842    HG   LEU 112           HG       LEU 112   8.337  -0.892  -0.892
  843   1HD1  LEU 112          HD11      LEU 112   9.499  -1.378  -1.378
  844   2HD1  LEU 112          HD13      LEU 112   8.001  -0.461  -0.461
  845   3HD1  LEU 112          HD12      LEU 112   8.000  -2.010  -2.010
  846   1HD2  LEU 112          HD23      LEU 112   9.115   1.618   1.618
  847   2HD2  LEU 112          HD22      LEU 112   8.351   1.482   1.482
  848   3HD2  LEU 112          HD21      LEU 112   7.434   1.098   1.098
  849    H    LYS 113           HN       LYS 113  12.727  -1.411  -1.411
  850    HA   LYS 113           HA       LYS 113  14.696   0.732   0.732
  851   1HB   LYS 113           HB2      LYS 113  14.494  -2.153  -2.153
  852   2HB   LYS 113           HB1      LYS 113  15.912  -1.680  -1.680
  853   1HG   LYS 113           HG2      LYS 113  16.905  -0.591  -0.591
  854   2HG   LYS 113           HG1      LYS 113  15.362  -0.263  -0.263
  855   1HD   LYS 113           HD2      LYS 113  15.159  -2.499  -2.499
  856   2HD   LYS 113           HD1      LYS 113  16.423  -3.073  -3.073
  857   1HE   LYS 113           HE2      LYS 113  18.148  -2.098  -2.098
  858   2HE   LYS 113           HE1      LYS 113  17.024  -1.011  -1.011
  859   1HZ   LYS 113           HZ2      LYS 113  16.966  -3.979  -3.979
  860   2HZ   LYS 113           HZ1      LYS 113  17.625  -2.958  -2.958
  861   3HZ   LYS 113           HZ3      LYS 113  15.964  -2.901  -2.901
  862    H    LYS 114           HN       LYS 114  12.892  -0.085  -0.085
  863    HA   LYS 114           HA       LYS 114  14.973  -0.207  -0.207
  864   1HB   LYS 114           HB2      LYS 114  12.341  -0.902  -0.902
  865   2HB   LYS 114           HB1      LYS 114  12.210   0.614   0.614
  866   1HG   LYS 114           HG2      LYS 114  13.695  -0.192  -0.192
  867   2HG   LYS 114           HG1      LYS 114  14.078  -1.638  -1.638
  868   1HD   LYS 114           HD2      LYS 114  12.444  -2.230  -2.230
  869   2HD   LYS 114           HD1      LYS 114  11.658  -2.287  -2.287
  870   1HE   LYS 114           HE2      LYS 114  10.098  -0.867  -0.867
  871   2HE   LYS 114           HE1      LYS 114  11.361   0.379   0.379
  872   1HZ   LYS 114           HZ3      LYS 114  10.914  -1.659  -1.659
  873   2HZ   LYS 114           HZ2      LYS 114  10.404  -0.041  -0.041
  874   3HZ   LYS 114           HZ1      LYS 114  12.062  -0.411  -0.411
  875    H    ARG 115           HN       ARG 115  13.079   2.312   2.312
  876    HA   ARG 115           HA       ARG 115  14.135   4.340   4.340
  877   1HB   ARG 115           HB2      ARG 115  11.834   4.148   4.148
  878   2HB   ARG 115           HB1      ARG 115  12.378   5.727   5.727
  879   1HG   ARG 115           HG2      ARG 115  10.914   5.305   5.305
  880   2HG   ARG 115           HG1      ARG 115  12.278   4.395   4.395
  881   1HD   ARG 115           HD2      ARG 115  11.209   2.407   2.407
  882   2HD   ARG 115           HD1      ARG 115  10.676   2.846   2.846
  883    HE   ARG 115           HE       ARG 115   8.869   4.209   4.209
  884   1HH1  ARG 115          HH11      ARG 115   8.423   4.690   4.690
  885   2HH1  ARG 115          HH12      ARG 115   8.109   3.257   3.257
  886   1HH2  ARG 115          HH21      ARG 115   9.385   1.112   1.112
  887   2HH2  ARG 115          HH22      ARG 115   8.654   1.231   1.231
  888    H    THR 116           HN       THR 116  15.544   2.985   2.985
  889    HA   THR 116           HA       THR 116  16.121   5.441   5.441
  890    HB   THR 116           HB       THR 116  17.137   3.676   3.676
  891    HG1  THR 116           HG1      THR 116  17.368   1.819   1.819
  892   1HG2  THR 116          HG22      THR 116  14.212   3.392   3.392
  893   2HG2  THR 116          HG21      THR 116  14.933   2.882   2.882
  894   3HG2  THR 116          HG23      THR 116  14.879   4.595   4.595
  895    H    GLY 117           HN       GLY 117  17.644   2.849   2.849
  896   1HA   GLY 117           HA1      GLY 117  20.310   4.077   4.077
  897   2HA   GLY 117           HA2      GLY 117  19.971   2.571   2.571
  898    HA   PRO 118           HA       PRO 118  20.433   6.144   6.144
  899   1HB   PRO 118           HB1      PRO 118  22.697   5.267   5.267
  900   2HB   PRO 118           HB2      PRO 118  22.731   6.333   6.333
  901   1HG   PRO 118           HG2      PRO 118  23.182   3.393   3.393
  902   2HG   PRO 118           HG1      PRO 118  23.996   4.600   4.600
  903   1HD   PRO 118           HD2      PRO 118  22.062   2.906   2.906
  904   2HD   PRO 118           HD1      PRO 118  22.402   4.500   4.500
  905    H    ALA 119           HN       ALA 119  18.924   5.674   5.674
  906    HA   ALA 119           HA       ALA 119  19.159   3.056   3.056
  907   1HB   ALA 119           HB2      ALA 119  16.996   4.510   4.510
  908   2HB   ALA 119           HB1      ALA 119  16.594   4.120   4.120
  909   3HB   ALA 119           HB3      ALA 119  17.037   2.835   2.835
  910    H    ALA 120           HN       ALA 120  20.509   5.651   5.651
  911    HA   ALA 120           HA       ALA 120  19.066   6.522   6.522
  912   1HB   ALA 120           HB3      ALA 120  20.971   7.602   7.602
  913   2HB   ALA 120           HB2      ALA 120  21.489   7.899   7.899
  914   3HB   ALA 120           HB1      ALA 120  19.909   8.462   8.462

  Start of MODEL   11
    1   1H    ASP   1           HT1      ASP   1  -5.632  11.380  11.380
    2   2H    ASP   1           HT3      ASP   1  -5.695  12.900  12.900
    3   3H    ASP   1           HT2      ASP   1  -6.438  11.560  11.560
    4    HA   ASP   1           HA       ASP   1  -4.451  11.829  11.829
    5   1HB   ASP   1           HB2      ASP   1  -2.358  11.917  11.917
    6   2HB   ASP   1           HB1      ASP   1  -3.609  12.680  12.680
    7    H    ALA   2           HN       ALA   2  -4.926   9.611   9.611
    8    HA   ALA   2           HA       ALA   2  -3.052   7.667   7.667
    9   1HB   ALA   2           HB1      ALA   2  -5.943   7.672   7.672
   10   2HB   ALA   2           HB3      ALA   2  -4.930   6.232   6.232
   11   3HB   ALA   2           HB2      ALA   2  -4.499   7.676   7.676
   12    HA   PRO   3           HA       PRO   3  -4.655   6.612   6.612
   13   1HB   PRO   3           HB1      PRO   3  -2.352   5.419   5.419
   14   2HB   PRO   3           HB2      PRO   3  -2.614   7.172   7.172
   15   1HG   PRO   3           HG2      PRO   3  -1.047   5.539   5.539
   16   2HG   PRO   3           HG1      PRO   3  -0.706   7.147   7.147
   17   1HD   PRO   3           HD2      PRO   3  -1.729   6.693   6.693
   18   2HD   PRO   3           HD1      PRO   3  -1.955   8.199   8.199
   19    H    GLU   4           HN       GLU   4  -5.426   4.592   4.592
   20    HA   GLU   4           HA       GLU   4  -5.356   2.382   2.382
   21   1HB   GLU   4           HB1      GLU   4  -7.387   3.226   3.226
   22   2HB   GLU   4           HB2      GLU   4  -6.669   2.589   2.589
   23   1HG   GLU   4           HG2      GLU   4  -7.817   0.696   0.696
   24   2HG   GLU   4           HG1      GLU   4  -6.453   0.422   0.422
   25    H    GLU   5           HN       GLU   5  -3.855   0.762   0.762
   26    HA   GLU   5           HA       GLU   5  -2.632   0.186   0.186
   27   1HB   GLU   5           HB1      GLU   5  -0.567  -0.315  -0.315
   28   2HB   GLU   5           HB2      GLU   5  -1.093   1.361   1.361
   29   1HG   GLU   5           HG1      GLU   5  -2.256  -0.534  -0.534
   30   2HG   GLU   5           HG2      GLU   5  -0.524  -0.242  -0.242
   31    H    GLU   6           HN       GLU   6  -1.789  -2.094  -2.094
   32    HA   GLU   6           HA       GLU   6  -3.663  -3.972  -3.972
   33   1HB   GLU   6           HB1      GLU   6  -2.310  -3.716  -3.716
   34   2HB   GLU   6           HB2      GLU   6  -2.209  -5.345  -5.345
   35   1HG   GLU   6           HG2      GLU   6  -4.785  -4.940  -4.940
   36   2HG   GLU   6           HG1      GLU   6  -4.625  -3.778  -3.778
   37    H    ASP   7           HN       ASP   7  -0.413  -4.610  -4.610
   38    HA   ASP   7           HA       ASP   7   0.428  -5.501  -5.501
   39   1HB   ASP   7           HB1      ASP   7   0.401  -6.831  -6.831
   40   2HB   ASP   7           HB2      ASP   7   1.781  -7.167  -7.167
   41    H    HIS   8           HN       HIS   8   1.839  -4.967  -4.967
   42    HA   HIS   8           HA       HIS   8   3.964  -3.302  -3.302
   43   1HB   HIS   8           HB1      HIS   8   4.098  -5.510  -5.510
   44   2HB   HIS   8           HB2      HIS   8   5.409  -4.344  -4.344
   45    HD1  HIS   8           HD1      HIS   8   6.450  -4.173  -4.173
   46    HD2  HIS   8           HD2      HIS   8   4.152  -7.557  -7.557
   47    HE1  HIS   8           HE1      HIS   8   6.999  -5.854  -5.854
   48    H    VAL   9           HN       VAL   9   1.372  -3.125  -3.125
   49    HA   VAL   9           HA       VAL   9   2.643  -0.975  -0.975
   50    HB   VAL   9           HB       VAL   9   0.329  -2.654  -2.654
   51   1HG1  VAL   9          HG12      VAL   9   2.436  -0.862  -0.862
   52   2HG1  VAL   9          HG11      VAL   9   1.795  -2.156  -2.156
   53   3HG1  VAL   9          HG13      VAL   9   0.710  -0.929  -0.929
   54   1HG2  VAL   9          HG22      VAL   9   3.140  -3.542  -3.542
   55   2HG2  VAL   9          HG21      VAL   9   1.669  -4.501  -4.501
   56   3HG2  VAL   9          HG23      VAL   9   2.440  -3.835  -3.835
   57    H    LEU  10           HN       LEU  10   0.806   0.558   0.558
   58    HA   LEU  10           HA       LEU  10  -1.053   1.020   1.020
   59   1HB   LEU  10           HB2      LEU  10  -1.009   3.346   3.346
   60   2HB   LEU  10           HB1      LEU  10   0.641   2.746   2.746
   61    HG   LEU  10           HG       LEU  10  -0.189   2.100   2.100
   62   1HD1  LEU  10          HD22      LEU  10  -1.370   4.600   4.600
   63   2HD1  LEU  10          HD21      LEU  10  -0.435   4.801   4.801
   64   3HD1  LEU  10          HD23      LEU  10  -1.784   3.665   3.665
   65   1HD2  LEU  10          HD11      LEU  10   1.633   4.244   4.244
   66   2HD2  LEU  10          HD13      LEU  10   2.094   2.619   2.619
   67   3HD2  LEU  10          HD12      LEU  10   1.573   3.803   3.803
   68    H    VAL  11           HN       VAL  11  -3.146   2.196   2.196
   69    HA   VAL  11           HA       VAL  11  -4.212   0.910   0.910
   70    HB   VAL  11           HB       VAL  11  -5.476   1.309   1.309
   71   1HG1  VAL  11          HG12      VAL  11  -6.635   0.196   0.196
   72   2HG1  VAL  11          HG11      VAL  11  -7.416   0.090   0.090
   73   3HG1  VAL  11          HG13      VAL  11  -7.150   1.664   1.664
   74   1HG2  VAL  11          HG22      VAL  11  -3.775  -0.641  -0.641
   75   2HG2  VAL  11          HG21      VAL  11  -5.171  -0.952  -0.952
   76   3HG2  VAL  11          HG23      VAL  11  -5.246  -1.328  -1.328
   77    H    LEU  12           HN       LEU  12  -5.665   2.222   2.222
   78    HA   LEU  12           HA       LEU  12  -5.648   5.115   5.115
   79   1HB   LEU  12           HB1      LEU  12  -5.965   3.592   3.592
   80   2HB   LEU  12           HB2      LEU  12  -6.177   5.338   5.338
   81    HG   LEU  12           HG       LEU  12  -3.675   3.815   3.815
   82   1HD1  LEU  12          HD22      LEU  12  -4.563   5.205   5.205
   83   2HD1  LEU  12          HD21      LEU  12  -2.890   5.452   5.452
   84   3HD1  LEU  12          HD23      LEU  12  -3.488   3.823   3.823
   85   1HD2  LEU  12          HD11      LEU  12  -4.592   6.641   6.641
   86   2HD2  LEU  12          HD13      LEU  12  -3.545   5.685   5.685
   87   3HD2  LEU  12          HD12      LEU  12  -2.903   6.377   6.377
   88    H    ARG  13           HN       ARG  13  -7.673   6.245   6.245
   89    HA   ARG  13           HA       ARG  13 -10.158   4.646   4.646
   90   1HB   ARG  13           HB2      ARG  13  -9.174   6.723   6.723
   91   2HB   ARG  13           HB1      ARG  13 -10.908   6.525   6.525
   92   1HG   ARG  13           HG2      ARG  13 -10.403   3.977   3.977
   93   2HG   ARG  13           HG1      ARG  13  -8.921   4.555   4.555
   94   1HD   ARG  13           HD2      ARG  13 -10.099   5.683   5.683
   95   2HD   ARG  13           HD1      ARG  13 -11.617   5.671   5.671
   96    HE   ARG  13           HE       ARG  13 -11.023   2.990   2.990
   97   1HH1  ARG  13          HH21      ARG  13  -9.804   4.707   4.707
   98   2HH1  ARG  13          HH22      ARG  13 -10.902   4.147   4.147
   99   1HH2  ARG  13          HH11      ARG  13 -13.066   2.653   2.653
  100   2HH2  ARG  13          HH12      ARG  13 -12.747   2.985   2.985
  101    H    LYS  14           HN       LYS  14 -12.066   6.460   6.460
  102    HA   LYS  14           HA       LYS  14 -11.880   7.638   7.638
  103   1HB   LYS  14           HB1      LYS  14 -13.684   7.774   7.774
  104   2HB   LYS  14           HB2      LYS  14 -13.910   8.978   8.978
  105   1HG   LYS  14           HG2      LYS  14 -13.966   7.068   7.068
  106   2HG   LYS  14           HG1      LYS  14 -14.008   5.964   5.964
  107   1HD   LYS  14           HD2      LYS  14 -16.262   6.210   6.210
  108   2HD   LYS  14           HD1      LYS  14 -15.981   7.766   7.766
  109   1HE   LYS  14           HE2      LYS  14 -15.475   8.102   8.102
  110   2HE   LYS  14           HE1      LYS  14 -17.043   7.293   7.293
  111   1HZ   LYS  14           HZ2      LYS  14 -17.461   8.949   8.949
  112   2HZ   LYS  14           HZ1      LYS  14 -16.137   9.824   9.824
  113   3HZ   LYS  14           HZ3      LYS  14 -17.500   9.568   9.568
  114    H    SER  15           HN       SER  15 -11.241   8.979   8.979
  115    HA   SER  15           HA       SER  15 -10.619  11.630  11.630
  116   1HB   SER  15           HB1      SER  15 -11.960  10.760  10.760
  117   2HB   SER  15           HB2      SER  15 -10.442  11.449  11.449
  118    HG   SER  15           HG       SER  15 -11.872  13.117  13.117
  119    H    ASN  16           HN       ASN  16  -9.164   8.910   8.910
  120    HA   ASN  16           HA       ASN  16  -6.663  10.266  10.266
  121   1HB   ASN  16           HB1      ASN  16  -7.587   8.326   8.326
  122   2HB   ASN  16           HB2      ASN  16  -7.401   7.328   7.328
  123   1HD2  ASN  16          HD22      ASN  16  -4.302   6.550   6.550
  124   2HD2  ASN  16          HD21      ASN  16  -5.922   6.056   6.056
  125    H    PHE  17           HN       PHE  17  -7.969   8.667   8.667
  126    HA   PHE  17           HA       PHE  17  -5.534   7.857   7.857
  127   1HB   PHE  17           HB2      PHE  17  -7.834   7.171   7.171
  128   2HB   PHE  17           HB1      PHE  17  -8.183   8.821   8.821
  129    HD1  PHE  17           HD2      PHE  17  -6.790   9.847   9.847
  130    HD2  PHE  17           HD1      PHE  17  -6.723   5.654   5.654
  131    HE1  PHE  17           HE2      PHE  17  -5.820   9.370   9.370
  132    HE2  PHE  17           HE1      PHE  17  -5.752   5.176   5.176
  133    HZ   PHE  17           HZ       PHE  17  -5.302   7.035   7.035
  134    H    ALA  18           HN       ALA  18  -7.564  10.705  10.705
  135    HA   ALA  18           HA       ALA  18  -5.697  12.057  12.057
  136   1HB   ALA  18           HB2      ALA  18  -8.198  12.549  12.549
  137   2HB   ALA  18           HB1      ALA  18  -7.186  13.993  13.993
  138   3HB   ALA  18           HB3      ALA  18  -7.628  13.227  13.227
  139    H    GLU  19           HN       GLU  19  -5.738  11.668  11.668
  140    HA   GLU  19           HA       GLU  19  -4.050  13.975  13.975
  141   1HB   GLU  19           HB2      GLU  19  -5.713  12.882  12.882
  142   2HB   GLU  19           HB1      GLU  19  -4.662  11.468  11.468
  143   1HG   GLU  19           HG2      GLU  19  -2.840  13.335  13.335
  144   2HG   GLU  19           HG1      GLU  19  -4.277  14.171  14.171
  145    H    ALA  20           HN       ALA  20  -3.503  10.445  10.445
  146    HA   ALA  20           HA       ALA  20  -0.738  10.432  10.432
  147   1HB   ALA  20           HB1      ALA  20  -2.743   8.615   8.615
  148   2HB   ALA  20           HB3      ALA  20  -1.798   8.413   8.413
  149   3HB   ALA  20           HB2      ALA  20  -1.034   8.188   8.188
  150    H    LEU  21           HN       LEU  21  -2.384  10.191  10.191
  151    HA   LEU  21           HA       LEU  21  -0.094  10.284  10.284
  152   1HB   LEU  21           HB2      LEU  21  -2.987  10.772  10.772
  153   2HB   LEU  21           HB1      LEU  21  -2.052  11.667  11.667
  154    HG   LEU  21           HG       LEU  21  -0.843   9.214   9.214
  155   1HD1  LEU  21          HD12      LEU  21  -3.471   8.868   8.868
  156   2HD1  LEU  21          HD11      LEU  21  -3.326   7.972   7.972
  157   3HD1  LEU  21          HD13      LEU  21  -2.173   7.694   7.694
  158   1HD2  LEU  21          HD21      LEU  21  -3.091  10.478  10.478
  159   2HD2  LEU  21          HD23      LEU  21  -1.409  10.247  10.247
  160   3HD2  LEU  21          HD22      LEU  21  -2.513   8.871   8.871
  161    H    ALA  22           HN       ALA  22  -1.993  12.940  12.940
  162    HA   ALA  22           HA       ALA  22  -0.088  14.941  14.941
  163   1HB   ALA  22           HB3      ALA  22  -2.534  15.280  15.280
  164   2HB   ALA  22           HB2      ALA  22  -2.671  15.175  15.175
  165   3HB   ALA  22           HB1      ALA  22  -1.804  16.523  16.523
  166    H    ALA  23           HN       ALA  23   0.402  12.942  12.942
  167    HA   ALA  23           HA       ALA  23   1.215  14.986  14.986
  168   1HB   ALA  23           HB1      ALA  23   0.145  12.161  12.161
  169   2HB   ALA  23           HB3      ALA  23   0.892  13.007  13.007
  170   3HB   ALA  23           HB2      ALA  23  -0.584  13.640  13.640
  171    H    HIS  24           HN       HIS  24   1.986  11.861  11.861
  172    HA   HIS  24           HA       HIS  24   4.820  12.170  12.170
  173   1HB   HIS  24           HB1      HIS  24   2.999  10.095  10.095
  174   2HB   HIS  24           HB2      HIS  24   3.970   9.598   9.598
  175    HD1  HIS  24           HD1      HIS  24   5.004   7.714   7.714
  176    HD2  HIS  24           HD2      HIS  24   5.903  11.633  11.633
  177    HE1  HIS  24           HE1      HIS  24   6.923   7.573   7.573
  178    H    LYS  25           HN       LYS  25   6.054  10.487  10.487
  179    HA   LYS  25           HA       LYS  25   5.752  12.016  12.016
  180   1HB   LYS  25           HB2      LYS  25   7.909  11.185  11.185
  181   2HB   LYS  25           HB1      LYS  25   8.058  10.301  10.301
  182   1HG   LYS  25           HG2      LYS  25   8.554  12.180  12.180
  183   2HG   LYS  25           HG1      LYS  25   7.354  13.146  13.146
  184   1HD   LYS  25           HD2      LYS  25   9.175  14.128  14.128
  185   2HD   LYS  25           HD1      LYS  25   9.182  12.694  12.694
  186   1HE   LYS  25           HE2      LYS  25  11.409  12.834  12.834
  187   2HE   LYS  25           HE1      LYS  25  10.627  11.610  11.610
  188   1HZ   LYS  25           HZ2      LYS  25  10.538  14.489  14.489
  189   2HZ   LYS  25           HZ1      LYS  25  11.820  13.500  13.500
  190   3HZ   LYS  25           HZ3      LYS  25  10.235  13.159  13.159
  191    H    TYR  26           HN       TYR  26   7.005   8.742   8.742
  192    HA   TYR  26           HA       TYR  26   5.504   7.730   7.730
  193   1HB   TYR  26           HB2      TYR  26   7.535   6.393   6.393
  194   2HB   TYR  26           HB1      TYR  26   7.021   5.828   5.828
  195    HD1  TYR  26           HD2      TYR  26   7.353   7.501   7.501
  196    HD2  TYR  26           HD1      TYR  26   9.410   7.790   7.790
  197    HE1  TYR  26           HE2      TYR  26   9.104   8.896   8.896
  198    HE2  TYR  26           HE1      TYR  26  11.162   9.185   9.185
  199    HH   TYR  26           HH       TYR  26  11.666   9.367   9.367
  200    H    LEU  27           HN       LEU  27   3.663   6.481   6.481
  201    HA   LEU  27           HA       LEU  27   3.161   5.328   5.328
  202   1HB   LEU  27           HB2      LEU  27   1.647   7.296   7.296
  203   2HB   LEU  27           HB1      LEU  27   0.685   6.063   6.063
  204    HG   LEU  27           HG       LEU  27   2.689   7.906   7.906
  205   1HD1  LEU  27          HD21      LEU  27  -0.184   8.037   8.037
  206   2HD1  LEU  27          HD23      LEU  27   0.209   8.252   8.252
  207   3HD1  LEU  27          HD22      LEU  27   0.924   9.317   9.317
  208   1HD2  LEU  27          HD11      LEU  27   1.280   5.453   5.453
  209   2HD2  LEU  27          HD13      LEU  27   2.802   6.144   6.144
  210   3HD2  LEU  27          HD12      LEU  27   1.267   6.805   6.805
  211    H    LEU  28           HN       LEU  28   2.548   3.219   3.219
  212    HA   LEU  28           HA       LEU  28   1.630   2.155   2.155
  213   1HB   LEU  28           HB2      LEU  28   3.684   1.354   1.354
  214   2HB   LEU  28           HB1      LEU  28   2.386   0.364   0.364
  215    HG   LEU  28           HG       LEU  28   3.553  -0.811  -0.811
  216   1HD1  LEU  28          HD21      LEU  28   1.154  -1.234  -1.234
  217   2HD1  LEU  28          HD23      LEU  28   0.738   0.083   0.083
  218   3HD1  LEU  28          HD22      LEU  28   1.536  -1.362  -1.362
  219   1HD2  LEU  28          HD11      LEU  28   3.995   1.483   1.483
  220   2HD2  LEU  28          HD13      LEU  28   3.712   0.059   0.059
  221   3HD2  LEU  28          HD12      LEU  28   2.413   1.222   1.222
  222    H    VAL  29           HN       VAL  29  -0.556   1.815   1.815
  223    HA   VAL  29           HA       VAL  29  -1.984   1.232   1.232
  224    HB   VAL  29           HB       VAL  29  -2.957   2.715   2.715
  225   1HG1  VAL  29          HG21      VAL  29  -4.123   2.199   2.199
  226   2HG1  VAL  29          HG23      VAL  29  -4.721   3.476   3.476
  227   3HG1  VAL  29          HG22      VAL  29  -4.823   1.791   1.791
  228   1HG2  VAL  29          HG11      VAL  29  -1.821   3.689   3.689
  229   2HG2  VAL  29          HG13      VAL  29  -1.247   4.070   4.070
  230   3HG2  VAL  29          HG12      VAL  29  -2.786   4.717   4.717
  231    H    GLU  30           HN       GLU  30  -2.972  -0.745  -0.745
  232    HA   GLU  30           HA       GLU  30  -3.551  -2.048  -2.048
  233   1HB   GLU  30           HB1      GLU  30  -1.760  -3.092  -3.092
  234   2HB   GLU  30           HB2      GLU  30  -2.831  -3.197  -3.197
  235   1HG   GLU  30           HG2      GLU  30  -4.264  -4.768  -4.768
  236   2HG   GLU  30           HG1      GLU  30  -3.479  -4.487  -4.487
  237    H    PHE  31           HN       PHE  31  -5.660  -2.654  -2.654
  238    HA   PHE  31           HA       PHE  31  -7.632  -2.189  -2.189
  239   1HB   PHE  31           HB1      PHE  31  -7.675  -2.335  -2.335
  240   2HB   PHE  31           HB2      PHE  31  -9.170  -2.398  -2.398
  241    HD1  PHE  31           HD2      PHE  31  -6.094  -0.361  -0.361
  242    HD2  PHE  31           HD1      PHE  31 -10.137  -0.422  -0.422
  243    HE1  PHE  31           HE2      PHE  31  -6.046   2.107   2.107
  244    HE2  PHE  31           HE1      PHE  31 -10.087   2.044   2.044
  245    HZ   PHE  31           HZ       PHE  31  -8.037   3.312   3.312
  246    H    TYR  32           HN       TYR  32  -8.389  -4.013  -4.013
  247    HA   TYR  32           HA       TYR  32  -8.768  -6.494  -6.494
  248   1HB   TYR  32           HB1      TYR  32  -7.580  -7.806  -7.806
  249   2HB   TYR  32           HB2      TYR  32  -6.526  -6.549  -6.549
  250    HD1  TYR  32           HD2      TYR  32  -6.594  -4.254  -4.254
  251    HD2  TYR  32           HD1      TYR  32  -7.827  -8.028  -8.028
  252    HE1  TYR  32           HE2      TYR  32  -6.279  -3.360  -3.360
  253    HE2  TYR  32           HE1      TYR  32  -7.509  -7.134  -7.134
  254    HH   TYR  32           HH       TYR  32  -7.427  -4.101  -4.101
  255    H    ALA  33           HN       ALA  33  -9.675  -8.215  -8.215
  256    HA   ALA  33           HA       ALA  33 -11.630  -6.923  -6.923
  257   1HB   ALA  33           HB2      ALA  33 -12.544  -7.162  -7.162
  258   2HB   ALA  33           HB1      ALA  33 -12.423  -8.908  -8.908
  259   3HB   ALA  33           HB3      ALA  33 -13.495  -7.962  -7.962
  260    HA   PRO  34           HA       PRO  34 -10.852 -10.509 -10.509
  261   1HB   PRO  34           HB1      PRO  34 -13.301 -10.992 -10.992
  262   2HB   PRO  34           HB2      PRO  34 -12.252  -9.649  -9.649
  263   1HG   PRO  34           HG2      PRO  34 -14.618  -9.648  -9.648
  264   2HG   PRO  34           HG1      PRO  34 -14.150  -8.469  -8.469
  265   1HD   PRO  34           HD1      PRO  34 -13.718  -8.069  -8.069
  266   2HD   PRO  34           HD2      PRO  34 -12.659  -7.405  -7.405
  267    H    TRP  35           HN       TRP  35 -13.076 -10.597 -10.597
  268    HA   TRP  35           HA       TRP  35 -13.229 -13.586 -13.586
  269   1HB   TRP  35           HB2      TRP  35 -15.274 -13.268 -13.268
  270   2HB   TRP  35           HB1      TRP  35 -15.384 -12.431 -12.431
  271    HD1  TRP  35           HD1      TRP  35 -15.319  -9.798  -9.798
  272    HE1  TRP  35           HE1      TRP  35 -15.603  -8.046  -8.046
  273    HE3  TRP  35           HE3      TRP  35 -14.815 -12.796 -12.796
  274    HZ2  TRP  35           HZ2      TRP  35 -15.617  -7.931  -7.931
  275    HZ3  TRP  35           HZ3      TRP  35 -14.969 -11.840 -11.840
  276    HH2  TRP  35           HH2      TRP  35 -15.369  -9.414  -9.414
  277    H    CYS  36           HN       CYS  36 -11.488 -11.202 -11.202
  278    HA   CYS  36           HA       CYS  36 -11.604 -11.755 -11.755
  279   1HB   CYS  36           HB2      CYS  36 -10.410  -9.874  -9.874
  280   2HB   CYS  36           HB1      CYS  36  -9.303 -10.982 -10.982
  281    H    GLY  37           HN       GLY  37 -10.112 -13.086 -13.086
  282   1HA   GLY  37           HA2      GLY  37  -9.397 -15.614 -15.614
  283   2HA   GLY  37           HA1      GLY  37  -9.670 -15.464 -15.464
  284    H    HIS  38           HN       HIS  38  -7.271 -16.383 -16.383
  285    HA   HIS  38           HA       HIS  38  -4.917 -16.249 -16.249
  286   1HB   HIS  38           HB2      HIS  38  -6.150 -15.650 -15.650
  287   2HB   HIS  38           HB1      HIS  38  -4.769 -14.569 -14.569
  288    HD1  HIS  38           HD1      HIS  38  -4.812 -17.002 -17.002
  289    HD2  HIS  38           HD2      HIS  38  -3.092 -17.063 -17.063
  290    HE1  HIS  38           HE1      HIS  38  -3.081 -18.851 -18.851
  291    H    CYS  39           HN       CYS  39  -6.658 -13.881 -13.881
  292    HA   CYS  39           HA       CYS  39  -4.798 -11.609 -11.609
  293   1HB   CYS  39           HB2      CYS  39  -7.541 -12.136 -12.136
  294   2HB   CYS  39           HB1      CYS  39  -6.682 -10.860 -10.860
  295    H    LYS  40           HN       LYS  40  -5.537 -14.123 -14.123
  296    HA   LYS  40           HA       LYS  40  -4.195 -12.823 -12.823
  297   1HB   LYS  40           HB2      LYS  40  -5.108 -15.675 -15.675
  298   2HB   LYS  40           HB1      LYS  40  -4.650 -15.014 -15.014
  299   1HG   LYS  40           HG2      LYS  40  -6.658 -14.020 -14.020
  300   2HG   LYS  40           HG1      LYS  40  -6.629 -13.352 -13.352
  301   1HD   LYS  40           HD2      LYS  40  -7.688 -15.202 -15.202
  302   2HD   LYS  40           HD1      LYS  40  -7.114 -16.289 -16.289
  303   1HE   LYS  40           HE2      LYS  40  -8.827 -14.161 -14.161
  304   2HE   LYS  40           HE1      LYS  40  -9.662 -15.193 -15.193
  305   1HZ   LYS  40           HZ1      LYS  40  -8.656 -17.130 -17.130
  306   2HZ   LYS  40           HZ3      LYS  40  -8.139 -16.067 -16.067
  307   3HZ   LYS  40           HZ2      LYS  40  -9.799 -16.275 -16.275
  308    H    ALA  41           HN       ALA  41  -3.226 -14.751 -14.751
  309    HA   ALA  41           HA       ALA  41  -0.890 -16.001 -16.001
  310   1HB   ALA  41           HB2      ALA  41  -1.888 -15.276 -15.276
  311   2HB   ALA  41           HB1      ALA  41  -0.303 -16.018 -16.018
  312   3HB   ALA  41           HB3      ALA  41  -1.754 -16.873 -16.873
  313    H    LEU  42           HN       LEU  42  -1.546 -12.794 -12.794
  314    HA   LEU  42           HA       LEU  42   1.330 -12.094 -12.094
  315   1HB   LEU  42           HB2      LEU  42  -0.630 -11.428 -11.428
  316   2HB   LEU  42           HB1      LEU  42  -0.998 -10.221 -10.221
  317    HG   LEU  42           HG       LEU  42   1.547  -9.652  -9.652
  318   1HD1  LEU  42          HD12      LEU  42   1.567 -11.782 -11.782
  319   2HD1  LEU  42          HD11      LEU  42   1.378 -10.449 -10.449
  320   3HD1  LEU  42          HD13      LEU  42   2.758 -10.482 -10.482
  321   1HD2  LEU  42          HD22      LEU  42  -0.658  -8.482  -8.482
  322   2HD2  LEU  42          HD21      LEU  42   0.962  -7.861  -7.861
  323   3HD2  LEU  42          HD23      LEU  42   0.156  -8.876  -8.876
  324    H    ALA  43           HN       ALA  43  -1.268 -11.978 -11.978
  325    HA   ALA  43           HA       ALA  43  -0.899  -9.641  -9.641
  326   1HB   ALA  43           HB1      ALA  43  -1.886 -12.348 -12.348
  327   2HB   ALA  43           HB3      ALA  43  -1.180 -11.716 -11.716
  328   3HB   ALA  43           HB2      ALA  43  -2.486 -10.841 -10.841
  329    HA   PRO  44           HA       PRO  44   2.688 -11.583 -11.583
  330   1HB   PRO  44           HB1      PRO  44   3.734 -13.972 -13.972
  331   2HB   PRO  44           HB2      PRO  44   2.396 -13.847 -13.847
  332   1HG   PRO  44           HG2      PRO  44   2.341 -14.467 -14.467
  333   2HG   PRO  44           HG1      PRO  44   1.358 -15.132 -15.132
  334   1HD   PRO  44           HD1      PRO  44   0.482 -13.221 -13.221
  335   2HD   PRO  44           HD2      PRO  44  -0.164 -13.436 -13.436
  336    H    GLU  45           HN       GLU  45   2.509 -11.324 -11.324
  337    HA   GLU  45           HA       GLU  45   5.471 -11.167 -11.167
  338   1HB   GLU  45           HB2      GLU  45   3.177 -10.979 -10.979
  339   2HB   GLU  45           HB1      GLU  45   4.887 -11.142 -11.142
  340   1HG   GLU  45           HG1      GLU  45   4.685 -13.378 -13.378
  341   2HG   GLU  45           HG2      GLU  45   4.254 -13.227 -13.227
  342    H    TYR  46           HN       TYR  46   2.485  -9.304  -9.304
  343    HA   TYR  46           HA       TYR  46   3.846  -6.812  -6.812
  344   1HB   TYR  46           HB2      TYR  46   1.712  -6.941  -6.941
  345   2HB   TYR  46           HB1      TYR  46   1.097  -7.890  -7.890
  346    HD1  TYR  46           HD2      TYR  46   1.969  -4.479  -4.479
  347    HD2  TYR  46           HD1      TYR  46   0.050  -6.834  -6.834
  348    HE1  TYR  46           HE2      TYR  46   0.986  -2.422  -2.422
  349    HE2  TYR  46           HE1      TYR  46  -0.925  -4.787  -4.787
  350    HH   TYR  46           HH       TYR  46  -0.527  -1.626  -1.626
  351    H    ALA  47           HN       ALA  47   2.957  -8.525  -8.525
  352    HA   ALA  47           HA       ALA  47   3.099  -6.144  -6.144
  353   1HB   ALA  47           HB1      ALA  47   1.607  -8.201  -8.201
  354   2HB   ALA  47           HB3      ALA  47   3.066  -9.084  -9.084
  355   3HB   ALA  47           HB2      ALA  47   2.516  -7.726  -7.726
  356    H    LYS  48           HN       LYS  48   5.185  -8.725  -8.725
  357    HA   LYS  48           HA       LYS  48   7.246  -8.321  -8.321
  358   1HB   LYS  48           HB2      LYS  48   6.549 -10.161 -10.161
  359   2HB   LYS  48           HB1      LYS  48   8.213  -9.635  -9.635
  360   1HG   LYS  48           HG2      LYS  48   8.221 -11.580 -11.580
  361   2HG   LYS  48           HG1      LYS  48   8.694 -10.159 -10.159
  362   1HD   LYS  48           HD2      LYS  48   5.950 -10.140 -10.140
  363   2HD   LYS  48           HD1      LYS  48   6.315 -11.865 -11.865
  364   1HE   LYS  48           HE2      LYS  48   7.539 -11.737 -11.737
  365   2HE   LYS  48           HE1      LYS  48   8.023 -10.054 -10.054
  366   1HZ   LYS  48           HZ1      LYS  48   5.643  -9.445  -9.445
  367   2HZ   LYS  48           HZ3      LYS  48   5.319 -11.035 -11.035
  368   3HZ   LYS  48           HZ2      LYS  48   6.340 -10.049 -10.049
  369    H    ALA  49           HN       ALA  49   6.591  -7.189  -7.189
  370    HA   ALA  49           HA       ALA  49   9.188  -6.059  -6.059
  371   1HB   ALA  49           HB3      ALA  49   6.378  -5.725  -5.725
  372   2HB   ALA  49           HB2      ALA  49   7.667  -4.677  -4.677
  373   3HB   ALA  49           HB1      ALA  49   7.777  -6.424  -6.424
  374    H    ALA  50           HN       ALA  50   6.407  -4.971  -4.971
  375    HA   ALA  50           HA       ALA  50   7.172  -2.154  -2.154
  376   1HB   ALA  50           HB1      ALA  50   4.881  -3.453  -3.453
  377   2HB   ALA  50           HB3      ALA  50   5.417  -3.489  -3.489
  378   3HB   ALA  50           HB2      ALA  50   5.194  -1.944  -1.944
  379    H    GLY  51           HN       GLY  51   8.009  -5.022  -5.022
  380   1HA   GLY  51           HA2      GLY  51   8.980  -3.555  -3.555
  381   2HA   GLY  51           HA1      GLY  51   9.169  -5.285  -5.285
  382    H    LYS  52           HN       LYS  52  10.255  -4.719  -4.719
  383    HA   LYS  52           HA       LYS  52  13.042  -4.747  -4.747
  384   1HB   LYS  52           HB2      LYS  52  11.322  -4.322  -4.322
  385   2HB   LYS  52           HB1      LYS  52  13.070  -4.119  -4.119
  386   1HG   LYS  52           HG2      LYS  52  12.574  -6.511  -6.511
  387   2HG   LYS  52           HG1      LYS  52  11.576  -6.557  -6.557
  388   1HD   LYS  52           HD2      LYS  52  13.709  -7.511  -7.511
  389   2HD   LYS  52           HD1      LYS  52  13.645  -5.909  -5.909
  390   1HE   LYS  52           HE2      LYS  52  15.320  -5.098  -5.098
  391   2HE   LYS  52           HE1      LYS  52  14.746  -5.990  -5.990
  392   1HZ   LYS  52           HZ1      LYS  52  15.488  -8.054  -8.054
  393   2HZ   LYS  52           HZ3      LYS  52  16.223  -7.091  -7.091
  394   3HZ   LYS  52           HZ2      LYS  52  16.761  -7.012  -7.012
  395    H    LEU  53           HN       LEU  53  11.277  -2.147  -2.147
  396    HA   LEU  53           HA       LEU  53  13.372  -0.211  -0.211
  397   1HB   LEU  53           HB1      LEU  53  11.966   1.195   1.195
  398   2HB   LEU  53           HB2      LEU  53  11.466  -0.407  -0.407
  399    HG   LEU  53           HG       LEU  53  10.077   1.214   1.214
  400   1HD1  LEU  53          HD21      LEU  53   9.933   2.046   2.046
  401   2HD1  LEU  53          HD23      LEU  53   9.043   0.562   0.562
  402   3HD1  LEU  53          HD22      LEU  53   8.403   1.731   1.731
  403   1HD2  LEU  53          HD13      LEU  53   9.354  -1.390  -1.390
  404   2HD2  LEU  53          HD12      LEU  53   9.849  -1.207  -1.207
  405   3HD2  LEU  53          HD11      LEU  53   8.319  -0.522  -0.522
  406    H    LYS  54           HN       LYS  54  11.077  -1.448  -1.448
  407    HA   LYS  54           HA       LYS  54  10.138   0.712   0.712
  408   1HB   LYS  54           HB2      LYS  54   9.836  -1.819  -1.819
  409   2HB   LYS  54           HB1      LYS  54  11.357  -1.796  -1.796
  410   1HG   LYS  54           HG2      LYS  54  10.472  -0.504  -0.504
  411   2HG   LYS  54           HG1      LYS  54   9.166   0.125   0.125
  412   1HD   LYS  54           HD2      LYS  54   7.916  -1.853  -1.853
  413   2HD   LYS  54           HD1      LYS  54   9.324  -2.818  -2.818
  414   1HE   LYS  54           HE2      LYS  54   8.232  -2.581  -2.581
  415   2HE   LYS  54           HE1      LYS  54   9.372  -1.222  -1.222
  416   1HZ   LYS  54           HZ2      LYS  54   7.639   0.160   0.160
  417   2HZ   LYS  54           HZ1      LYS  54   6.544  -1.132  -1.132
  418   3HZ   LYS  54           HZ3      LYS  54   7.178  -0.406  -0.406
  419    H    ALA  55           HN       ALA  55  13.260  -0.980  -0.980
  420    HA   ALA  55           HA       ALA  55  14.243   0.993   0.993
  421   1HB   ALA  55           HB3      ALA  55  14.871  -1.507  -1.507
  422   2HB   ALA  55           HB2      ALA  55  15.915  -0.879  -0.879
  423   3HB   ALA  55           HB1      ALA  55  16.171  -0.385  -0.385
  424    H    GLU  56           HN       GLU  56  14.600   0.422   0.422
  425    HA   GLU  56           HA       GLU  56  15.228   3.205   3.205
  426   1HB   GLU  56           HB2      GLU  56  17.555   2.572   2.572
  427   2HB   GLU  56           HB1      GLU  56  17.396   2.653   2.653
  428   1HG   GLU  56           HG2      GLU  56  18.622   0.625   0.625
  429   2HG   GLU  56           HG1      GLU  56  17.055   0.182   0.182
  430    H    GLY  57           HN       GLY  57  16.853   1.143   1.143
  431   1HA   GLY  57           HA2      GLY  57  16.268   0.250   0.250
  432   2HA   GLY  57           HA1      GLY  57  14.598   0.205   0.205
  433    H    SER  58           HN       SER  58  13.731   2.617   2.617
  434    HA   SER  58           HA       SER  58  14.691   4.665   4.665
  435   1HB   SER  58           HB2      SER  58  13.534   2.450   2.450
  436   2HB   SER  58           HB1      SER  58  12.239   3.646   3.646
  437    HG   SER  58           HG       SER  58  13.480   5.048   5.048
  438    H    GLU  59           HN       GLU  59  12.639   6.129   6.129
  439    HA   GLU  59           HA       GLU  59  11.252   6.626   6.626
  440   1HB   GLU  59           HB2      GLU  59  10.813   8.810   8.810
  441   2HB   GLU  59           HB1      GLU  59  12.525   8.403   8.403
  442   1HG   GLU  59           HG2      GLU  59  11.694   9.250   9.250
  443   2HG   GLU  59           HG1      GLU  59  12.243   7.578   7.578
  444    H    ILE  60           HN       ILE  60  10.631   5.300   5.300
  445    HA   ILE  60           HA       ILE  60   7.947   5.958   5.958
  446    HB   ILE  60           HB       ILE  60   7.943   3.705   3.705
  447   1HG1  ILE  60          HG11      ILE  60  10.450   2.733   2.733
  448   2HG1  ILE  60          HG12      ILE  60  10.330   3.399   3.399
  449   1HG2  ILE  60          HG21      ILE  60   9.824   5.894   5.894
  450   2HG2  ILE  60          HG23      ILE  60  10.468   4.375   4.375
  451   3HG2  ILE  60          HG22      ILE  60   8.920   4.981   4.981
  452   1HD1  ILE  60          HD13      ILE  60   8.292   1.530   1.530
  453   2HD1  ILE  60          HD12      ILE  60   9.585   1.023   1.023
  454   3HD1  ILE  60          HD11      ILE  60   8.325   2.112   2.112
  455    H    ARG  61           HN       ARG  61   5.991   4.553   4.553
  456    HA   ARG  61           HA       ARG  61   6.148   2.978   2.978
  457   1HB   ARG  61           HB2      ARG  61   4.996   5.627   5.627
  458   2HB   ARG  61           HB1      ARG  61   3.822   4.491   4.491
  459   1HG   ARG  61           HG2      ARG  61   5.885   3.868   3.868
  460   2HG   ARG  61           HG1      ARG  61   6.351   5.527   5.527
  461   1HD   ARG  61           HD2      ARG  61   4.671   6.396   6.396
  462   2HD   ARG  61           HD1      ARG  61   3.492   5.211   5.211
  463    HE   ARG  61           HE       ARG  61   4.406   3.586   3.586
  464   1HH1  ARG  61          HH21      ARG  61   6.803   5.807   5.807
  465   2HH1  ARG  61          HH22      ARG  61   6.803   6.103   6.103
  466   1HH2  ARG  61          HH11      ARG  61   3.834   4.401   4.401
  467   2HH2  ARG  61          HH12      ARG  61   5.122   5.305   5.305
  468    H    LEU  62           HN       LEU  62   4.559   1.361   1.361
  469    HA   LEU  62           HA       LEU  62   2.990   0.886   0.886
  470   1HB   LEU  62           HB2      LEU  62   3.856  -0.915  -0.915
  471   2HB   LEU  62           HB1      LEU  62   2.972  -1.456  -1.456
  472    HG   LEU  62           HG       LEU  62   5.670  -0.075  -0.075
  473   1HD1  LEU  62          HD23      LEU  62   5.588  -2.405  -2.405
  474   2HD1  LEU  62          HD22      LEU  62   5.099  -2.999  -2.999
  475   3HD1  LEU  62          HD21      LEU  62   6.667  -2.216  -2.216
  476   1HD2  LEU  62          HD13      LEU  62   3.704  -1.047  -1.047
  477   2HD2  LEU  62          HD12      LEU  62   4.890   0.251   0.251
  478   3HD2  LEU  62          HD11      LEU  62   5.394  -1.426  -1.426
  479    H    ALA  63           HN       ALA  63   0.740   0.411   0.411
  480    HA   ALA  63           HA       ALA  63  -0.524   0.626   0.626
  481   1HB   ALA  63           HB2      ALA  63  -0.306   2.901   2.901
  482   2HB   ALA  63           HB1      ALA  63  -1.163   2.371   2.371
  483   3HB   ALA  63           HB3      ALA  63  -2.000   2.419   2.419
  484    H    LYS  64           HN       LYS  64  -2.975   0.217   0.217
  485    HA   LYS  64           HA       LYS  64  -3.652  -1.487  -1.487
  486   1HB   LYS  64           HB1      LYS  64  -2.870  -2.377  -2.377
  487   2HB   LYS  64           HB2      LYS  64  -4.594  -2.701  -2.701
  488   1HG   LYS  64           HG2      LYS  64  -4.021  -3.695  -3.695
  489   2HG   LYS  64           HG1      LYS  64  -2.339  -3.660  -3.660
  490   1HD   LYS  64           HD2      LYS  64  -2.744  -5.176  -5.176
  491   2HD   LYS  64           HD1      LYS  64  -4.486  -4.928  -4.928
  492   1HE   LYS  64           HE2      LYS  64  -4.747  -6.472  -6.472
  493   2HE   LYS  64           HE1      LYS  64  -3.299  -5.917  -5.917
  494   1HZ   LYS  64           HZ3      LYS  64  -2.028  -6.898  -6.898
  495   2HZ   LYS  64           HZ2      LYS  64  -3.468  -7.696  -7.696
  496   3HZ   LYS  64           HZ1      LYS  64  -2.722  -8.010  -8.010
  497    H    VAL  65           HN       VAL  65  -5.978  -1.795  -1.795
  498    HA   VAL  65           HA       VAL  65  -7.648   0.077   0.077
  499    HB   VAL  65           HB       VAL  65  -7.634  -0.473  -0.473
  500   1HG1  VAL  65          HG12      VAL  65  -9.755   0.541   0.541
  501   2HG1  VAL  65          HG11      VAL  65  -9.407   1.593   1.593
  502   3HG1  VAL  65          HG13      VAL  65  -9.873  -0.088  -0.088
  503   1HG2  VAL  65          HG22      VAL  65  -5.928   1.116   1.116
  504   2HG2  VAL  65          HG21      VAL  65  -7.136   1.926   1.926
  505   3HG2  VAL  65          HG23      VAL  65  -7.206   2.068   2.068
  506    H    ASP  66           HN       ASP  66  -9.620  -0.781  -0.781
  507    HA   ASP  66           HA       ASP  66 -10.074  -3.663  -3.663
  508   1HB   ASP  66           HB2      ASP  66 -10.947  -1.596  -1.596
  509   2HB   ASP  66           HB1      ASP  66 -11.964  -3.019  -3.019
  510    H    ALA  67           HN       ALA  67 -10.945  -3.643  -3.643
  511    HA   ALA  67           HA       ALA  67 -12.717  -1.914  -1.914
  512   1HB   ALA  67           HB2      ALA  67 -12.694  -4.947  -4.947
  513   2HB   ALA  67           HB1      ALA  67 -13.452  -3.943  -3.943
  514   3HB   ALA  67           HB3      ALA  67 -11.702  -3.896  -3.896
  515    H    THR  68           HN       THR  68 -13.454  -4.158  -4.158
  516    HA   THR  68           HA       THR  68 -16.368  -3.861  -3.861
  517    HB   THR  68           HB       THR  68 -16.328  -5.280  -5.280
  518    HG1  THR  68           HG1      THR  68 -14.463  -5.694  -5.694
  519   1HG2  THR  68          HG22      THR  68 -16.036  -6.134  -6.134
  520   2HG2  THR  68          HG21      THR  68 -14.338  -6.355  -6.355
  521   3HG2  THR  68          HG23      THR  68 -15.592  -7.228  -7.228
  522    H    GLU  69           HN       GLU  69 -13.753  -2.436  -2.436
  523    HA   GLU  69           HA       GLU  69 -15.513  -1.110  -1.110
  524   1HB   GLU  69           HB2      GLU  69 -13.058  -1.900  -1.900
  525   2HB   GLU  69           HB1      GLU  69 -12.641  -0.440  -0.440
  526   1HG   GLU  69           HG1      GLU  69 -14.513  -0.151  -0.151
  527   2HG   GLU  69           HG2      GLU  69 -12.812  -0.446  -0.446
  528    H    GLU  70           HN       GLU  70 -13.250   0.186   0.186
  529    HA   GLU  70           HA       GLU  70 -14.698   2.739   2.739
  530   1HB   GLU  70           HB2      GLU  70 -12.389   1.561   1.561
  531   2HB   GLU  70           HB1      GLU  70 -12.937   3.229   3.229
  532   1HG   GLU  70           HG2      GLU  70 -12.057   3.852   3.852
  533   2HG   GLU  70           HG1      GLU  70 -12.448   2.308   2.308
  534    H    SER  71           HN       SER  71 -13.783   0.526   0.526
  535    HA   SER  71           HA       SER  71 -14.964  -0.236  -0.236
  536   1HB   SER  71           HB2      SER  71 -16.706  -0.526  -0.526
  537   2HB   SER  71           HB1      SER  71 -17.460   0.911   0.911
  538    HG   SER  71           HG       SER  71 -18.113  -1.275  -1.275
  539    H    ASP  72           HN       ASP  72 -16.526   2.783   2.783
  540    HA   ASP  72           HA       ASP  72 -17.008   3.845   3.845
  541   1HB   ASP  72           HB1      ASP  72 -16.976   6.042   6.042
  542   2HB   ASP  72           HB2      ASP  72 -16.569   5.031   5.031
  543    H    LEU  73           HN       LEU  73 -14.181   4.071   4.071
  544    HA   LEU  73           HA       LEU  73 -12.694   5.975   5.975
  545   1HB   LEU  73           HB2      LEU  73 -12.327   5.139   5.139
  546   2HB   LEU  73           HB1      LEU  73 -11.642   3.677   3.677
  547    HG   LEU  73           HG       LEU  73 -10.058   5.212   5.212
  548   1HD1  LEU  73          HD21      LEU  73 -11.717   7.173   7.173
  549   2HD1  LEU  73          HD23      LEU  73 -10.123   7.322   7.322
  550   3HD1  LEU  73          HD22      LEU  73 -10.296   7.442   7.442
  551   1HD2  LEU  73          HD12      LEU  73  -9.392   3.894   3.894
  552   2HD2  LEU  73          HD11      LEU  73  -8.539   5.435   5.435
  553   3HD2  LEU  73          HD13      LEU  73  -9.892   5.234   5.234
  554    H    ALA  74           HN       ALA  74 -12.884   2.429   2.429
  555    HA   ALA  74           HA       ALA  74 -10.906   2.193   2.193
  556   1HB   ALA  74           HB2      ALA  74 -11.872   0.544   0.544
  557   2HB   ALA  74           HB1      ALA  74 -12.927   0.073   0.073
  558   3HB   ALA  74           HB3      ALA  74 -11.178  -0.068  -0.068
  559    H    GLN  75           HN       GLN  75 -14.421   2.371   2.371
  560    HA   GLN  75           HA       GLN  75 -14.992   1.717   1.717
  561   1HB   GLN  75           HB2      GLN  75 -16.463   1.668   1.668
  562   2HB   GLN  75           HB1      GLN  75 -16.698   3.389   3.389
  563   1HG   GLN  75           HG1      GLN  75 -17.825   3.014   3.014
  564   2HG   GLN  75           HG2      GLN  75 -17.122   1.410   1.410
  565   1HE2  GLN  75          HE22      GLN  75 -19.973  -0.078  -0.078
  566   2HE2  GLN  75          HE21      GLN  75 -18.749  -0.127  -0.127
  567    H    GLN  76           HN       GLN  76 -14.190   4.645   4.645
  568    HA   GLN  76           HA       GLN  76 -15.039   6.565   6.565
  569   1HB   GLN  76           HB1      GLN  76 -13.207   6.433   6.433
  570   2HB   GLN  76           HB2      GLN  76 -13.103   7.843   7.843
  571   1HG   GLN  76           HG2      GLN  76 -15.452   8.325   8.325
  572   2HG   GLN  76           HG1      GLN  76 -15.690   6.820   6.820
  573   1HE2  GLN  76          HE22      GLN  76 -14.126  10.064  10.064
  574   2HE2  GLN  76          HE21      GLN  76 -14.438  10.108  10.108
  575    H    TYR  77           HN       TYR  77 -12.037   4.772   4.772
  576    HA   TYR  77           HA       TYR  77 -10.643   6.114   6.114
  577   1HB   TYR  77           HB1      TYR  77 -10.092   4.185   4.185
  578   2HB   TYR  77           HB2      TYR  77  -9.117   3.972   3.972
  579    HD1  TYR  77           HD1      TYR  77 -10.326   6.664   6.664
  580    HD2  TYR  77           HD2      TYR  77  -7.202   5.279   5.279
  581    HE1  TYR  77           HE1      TYR  77  -8.917   8.596   8.596
  582    HE2  TYR  77           HE2      TYR  77  -5.794   7.209   7.209
  583    HH   TYR  77           HH       TYR  77  -6.000   8.861   8.861
  584    H    GLY  78           HN       GLY  78 -11.883   2.842   2.842
  585   1HA   GLY  78           HA1      GLY  78 -13.156   1.886   1.886
  586   2HA   GLY  78           HA2      GLY  78 -11.666   2.229   2.229
  587    H    VAL  79           HN       VAL  79 -12.718   0.553   0.553
  588    HA   VAL  79           HA       VAL  79 -10.741  -1.605  -1.605
  589    HB   VAL  79           HB       VAL  79 -11.545  -0.391  -0.391
  590   1HG1  VAL  79          HG12      VAL  79 -10.470  -2.982  -2.982
  591   2HG1  VAL  79          HG11      VAL  79  -9.256  -2.048  -2.048
  592   3HG1  VAL  79          HG13      VAL  79 -10.846  -2.311  -2.311
  593   1HG2  VAL  79          HG23      VAL  79  -9.024  -0.302  -0.302
  594   2HG2  VAL  79          HG22      VAL  79 -10.023   1.058   1.058
  595   3HG2  VAL  79          HG21      VAL  79  -9.064   0.172   0.172
  596    H    ARG  80           HN       ARG  80 -12.336  -3.004  -3.004
  597    HA   ARG  80           HA       ARG  80 -14.649  -3.745  -3.745
  598   1HB   ARG  80           HB2      ARG  80 -15.517  -4.712  -4.712
  599   2HB   ARG  80           HB1      ARG  80 -15.076  -3.018  -3.018
  600   1HG   ARG  80           HG2      ARG  80 -13.085  -3.559  -3.559
  601   2HG   ARG  80           HG1      ARG  80 -13.115  -5.233  -5.233
  602   1HD   ARG  80           HD2      ARG  80 -15.388  -5.372  -5.372
  603   2HD   ARG  80           HD1      ARG  80 -14.787  -3.933  -3.933
  604    HE   ARG  80           HE       ARG  80 -12.955  -6.261  -6.261
  605   1HH1  ARG  80          HH21      ARG  80 -12.237  -4.097  -4.097
  606   2HH1  ARG  80          HH22      ARG  80 -12.817  -4.662  -4.662
  607   1HH2  ARG  80          HH11      ARG  80 -14.910  -7.060  -7.060
  608   2HH2  ARG  80          HH12      ARG  80 -14.330  -6.339  -6.339
  609    H    GLY  81           HN       GLY  81 -11.581  -4.899  -4.899
  610   1HA   GLY  81           HA2      GLY  81 -12.260  -7.625  -7.625
  611   2HA   GLY  81           HA1      GLY  81 -11.158  -7.376  -7.376
  612    H    TYR  82           HN       TYR  82 -10.941  -8.377  -8.377
  613    HA   TYR  82           HA       TYR  82  -8.651  -6.619  -6.619
  614   1HB   TYR  82           HB2      TYR  82 -10.158  -8.689  -8.689
  615   2HB   TYR  82           HB1      TYR  82  -9.095  -7.428  -7.428
  616    HD1  TYR  82           HD1      TYR  82 -10.178  -5.309  -5.309
  617    HD2  TYR  82           HD2      TYR  82 -12.086  -7.951  -7.951
  618    HE1  TYR  82           HE1      TYR  82 -12.098  -3.750  -3.750
  619    HE2  TYR  82           HE2      TYR  82 -14.005  -6.390  -6.390
  620    HH   TYR  82           HH       TYR  82 -15.051  -4.618  -4.618
  621    HA   PRO  83           HA       PRO  83  -7.315  -6.876  -6.876
  622   1HB   PRO  83           HB2      PRO  83  -4.623  -7.047  -7.047
  623   2HB   PRO  83           HB1      PRO  83  -5.806  -8.007  -8.007
  624   1HG   PRO  83           HG1      PRO  83  -3.902  -8.844  -8.844
  625   2HG   PRO  83           HG2      PRO  83  -4.755  -9.813  -9.813
  626   1HD   PRO  83           HD1      PRO  83  -5.375  -9.477  -9.477
  627   2HD   PRO  83           HD2      PRO  83  -6.190 -10.505 -10.505
  628    H    THR  84           HN       THR  84  -6.844  -4.761  -4.761
  629    HA   THR  84           HA       THR  84  -5.401  -4.512  -4.512
  630    HB   THR  84           HB       THR  84  -6.974  -2.325  -2.325
  631    HG1  THR  84           HG1      THR  84  -8.088  -4.521  -4.521
  632   1HG2  THR  84          HG23      THR  84  -6.652  -3.282  -3.282
  633   2HG2  THR  84          HG22      THR  84  -7.605  -1.885  -1.885
  634   3HG2  THR  84          HG21      THR  84  -5.856  -1.884  -1.884
  635    H    ILE  85           HN       ILE  85  -3.229  -4.170  -4.170
  636    HA   ILE  85           HA       ILE  85  -2.465  -2.426  -2.426
  637    HB   ILE  85           HB       ILE  85  -0.866  -4.114  -4.114
  638   1HG1  ILE  85          HG12      ILE  85  -1.133  -4.858  -4.858
  639   2HG1  ILE  85          HG11      ILE  85  -2.595  -5.032  -5.032
  640   1HG2  ILE  85          HG23      ILE  85   0.285  -2.146  -2.146
  641   2HG2  ILE  85          HG22      ILE  85   0.029  -3.062  -3.062
  642   3HG2  ILE  85          HG21      ILE  85   1.019  -3.738  -3.738
  643   1HD1  ILE  85          HD13      ILE  85  -1.229  -6.313  -6.313
  644   2HD1  ILE  85          HD12      ILE  85   0.117  -6.269  -6.269
  645   3HD1  ILE  85          HD11      ILE  85  -1.370  -7.116  -7.116
  646    H    LYS  86           HN       LYS  86  -1.835  -0.324  -0.324
  647    HA   LYS  86           HA       LYS  86  -1.062   0.491   0.491
  648   1HB   LYS  86           HB1      LYS  86  -2.741   2.045   2.045
  649   2HB   LYS  86           HB2      LYS  86  -2.394   2.512   2.512
  650   1HG   LYS  86           HG1      LYS  86  -3.439   0.087   0.087
  651   2HG   LYS  86           HG2      LYS  86  -4.270   0.435   0.435
  652   1HD   LYS  86           HD2      LYS  86  -5.702   1.767   1.767
  653   2HD   LYS  86           HD1      LYS  86  -4.355   2.806   2.806
  654   1HE   LYS  86           HE1      LYS  86  -3.947   0.896   0.896
  655   2HE   LYS  86           HE2      LYS  86  -5.679   0.616   0.616
  656   1HZ   LYS  86           HZ2      LYS  86  -6.053   3.001   3.001
  657   2HZ   LYS  86           HZ1      LYS  86  -4.396   3.236   3.236
  658   3HZ   LYS  86           HZ3      LYS  86  -5.331   2.324   2.324
  659    H    PHE  87           HN       PHE  87   0.143   2.657   2.657
  660    HA   PHE  87           HA       PHE  87   1.723   2.950   2.950
  661   1HB   PHE  87           HB1      PHE  87   3.036   1.677   1.677
  662   2HB   PHE  87           HB2      PHE  87   2.636   2.789   2.789
  663    HD1  PHE  87           HD1      PHE  87   3.538   3.752   3.752
  664    HD2  PHE  87           HD2      PHE  87   4.821   3.532   3.532
  665    HE1  PHE  87           HE1      PHE  87   5.523   5.135   5.135
  666    HE2  PHE  87           HE2      PHE  87   6.805   4.914   4.914
  667    HZ   PHE  87           HZ       PHE  87   7.156   5.715   5.715
  668    H    PHE  88           HN       PHE  88   1.545   5.036   5.036
  669    HA   PHE  88           HA       PHE  88   0.796   7.164   7.164
  670   1HB   PHE  88           HB2      PHE  88   0.549   6.854   6.854
  671   2HB   PHE  88           HB1      PHE  88   0.089   8.314   8.314
  672    HD1  PHE  88           HD2      PHE  88  -1.108   7.288   7.288
  673    HD2  PHE  88           HD1      PHE  88  -1.450   5.827   5.827
  674    HE1  PHE  88           HE2      PHE  88  -3.302   6.273   6.273
  675    HE2  PHE  88           HE1      PHE  88  -3.643   4.812   4.812
  676    HZ   PHE  88           HZ       PHE  88  -4.560   5.015   5.015
  677    H    ARG  89           HN       ARG  89   2.038   9.074   9.074
  678    HA   ARG  89           HA       ARG  89   4.549   9.139   9.139
  679   1HB   ARG  89           HB2      ARG  89   4.672   8.288   8.288
  680   2HB   ARG  89           HB1      ARG  89   4.368   9.965   9.965
  681   1HG   ARG  89           HG2      ARG  89   6.354  10.148  10.148
  682   2HG   ARG  89           HG1      ARG  89   6.819   8.735   8.735
  683   1HD   ARG  89           HD2      ARG  89   7.596  10.115  10.115
  684   2HD   ARG  89           HD1      ARG  89   5.955  10.756  10.756
  685    HE   ARG  89           HE       ARG  89   6.527  12.257  12.257
  686   1HH1  ARG  89          HH11      ARG  89   8.325  11.822  11.822
  687   2HH1  ARG  89          HH12      ARG  89   9.716  12.697  12.697
  688   1HH2  ARG  89          HH21      ARG  89   8.562  13.030  13.030
  689   2HH2  ARG  89          HH22      ARG  89   9.850  13.381  13.381
  690    H    ASN  90           HN       ASN  90   4.216  10.936  10.936
  691    HA   ASN  90           HA       ASN  90   3.744  13.178  13.178
  692   1HB   ASN  90           HB1      ASN  90   5.659  13.359  13.359
  693   2HB   ASN  90           HB2      ASN  90   4.517  13.512  13.512
  694   1HD2  ASN  90          HD22      ASN  90   4.680  17.010  17.010
  695   2HD2  ASN  90          HD21      ASN  90   4.961  15.715  15.715
  696    H    GLY  91           HN       GLY  91   1.364  12.005  12.005
  697   1HA   GLY  91           HA1      GLY  91  -0.876  12.340  12.340
  698   2HA   GLY  91           HA2      GLY  91  -0.426  14.036  14.036
  699    H    ASP  92           HN       ASP  92  -0.071  10.976  10.976
  700    HA   ASP  92           HA       ASP  92   0.484  12.083  12.083
  701   1HB   ASP  92           HB2      ASP  92  -0.396   9.568   9.568
  702   2HB   ASP  92           HB1      ASP  92  -1.074   9.799   9.799
  703    H    THR  93           HN       THR  93  -2.695  10.741  10.741
  704    HA   THR  93           HA       THR  93  -4.860  11.267  11.267
  705    HB   THR  93           HB       THR  93  -5.401  13.603  13.603
  706    HG1  THR  93           HG1      THR  93  -3.943  15.109  15.109
  707   1HG2  THR  93          HG21      THR  93  -4.429  11.786  11.786
  708   2HG2  THR  93          HG23      THR  93  -3.297  13.113  13.113
  709   3HG2  THR  93          HG22      THR  93  -5.028  13.375  13.375
  710    H    ALA  94           HN       ALA  94  -2.956  10.891  10.891
  711    HA   ALA  94           HA       ALA  94  -4.410  12.120  12.120
  712   1HB   ALA  94           HB2      ALA  94  -1.675  13.210  13.210
  713   2HB   ALA  94           HB1      ALA  94  -2.552  13.610  13.610
  714   3HB   ALA  94           HB3      ALA  94  -3.201  14.089  14.089
  715    H    SER  95           HN       SER  95  -1.072  11.100  11.100
  716    HA   SER  95           HA       SER  95  -1.311   9.023   9.023
  717   1HB   SER  95           HB1      SER  95   1.016   9.596   9.596
  718   2HB   SER  95           HB2      SER  95  -0.025  11.014  11.014
  719    HG   SER  95           HG       SER  95   0.819  11.823  11.823
  720    HA   PRO  96           HA       PRO  96   0.225   7.394   7.394
  721   1HB   PRO  96           HB1      PRO  96  -1.737   5.523   5.523
  722   2HB   PRO  96           HB2      PRO  96  -1.868   7.193   7.193
  723   1HG   PRO  96           HG2      PRO  96  -3.056   5.922   5.922
  724   2HG   PRO  96           HG1      PRO  96  -3.756   7.115   7.115
  725   1HD   PRO  96           HD1      PRO  96  -2.734   7.748   7.748
  726   2HD   PRO  96           HD2      PRO  96  -2.788   8.880   8.880
  727    H    LYS  97           HN       LYS  97   1.210   5.277   5.277
  728    HA   LYS  97           HA       LYS  97   1.665   3.843   3.843
  729   1HB   LYS  97           HB2      LYS  97   3.027   4.181   4.181
  730   2HB   LYS  97           HB1      LYS  97   3.387   2.731   2.731
  731   1HG   LYS  97           HG2      LYS  97   4.650   3.896   3.896
  732   2HG   LYS  97           HG1      LYS  97   3.386   5.106   5.106
  733   1HD   LYS  97           HD2      LYS  97   4.087   6.238   6.238
  734   2HD   LYS  97           HD1      LYS  97   5.334   5.017   5.017
  735   1HE   LYS  97           HE2      LYS  97   5.581   6.066   6.066
  736   2HE   LYS  97           HE1      LYS  97   5.579   7.402   7.402
  737   1HZ   LYS  97           HZ1      LYS  97   7.184   4.918   4.918
  738   2HZ   LYS  97           HZ3      LYS  97   7.799   6.390   6.390
  739   3HZ   LYS  97           HZ2      LYS  97   7.227   6.275   6.275
  740    H    GLU  98           HN       GLU  98   2.004   1.358   1.358
  741    HA   GLU  98           HA       GLU  98  -0.101   0.295   0.295
  742   1HB   GLU  98           HB2      GLU  98  -0.895  -1.120  -1.120
  743   2HB   GLU  98           HB1      GLU  98  -0.986   0.584   0.584
  744   1HG   GLU  98           HG2      GLU  98   1.421   0.188   0.188
  745   2HG   GLU  98           HG1      GLU  98   0.951  -1.511  -1.511
  746    H    TYR  99           HN       TYR  99   1.064  -0.996  -0.996
  747    HA   TYR  99           HA       TYR  99   3.618  -2.109  -2.109
  748   1HB   TYR  99           HB2      TYR  99   2.421  -1.890  -1.890
  749   2HB   TYR  99           HB1      TYR  99   1.296  -3.152  -3.152
  750    HD1  TYR  99           HD1      TYR  99   4.782  -2.417  -2.417
  751    HD2  TYR  99           HD2      TYR  99   1.966  -5.483  -5.483
  752    HE1  TYR  99           HE1      TYR  99   6.364  -4.147  -4.147
  753    HE2  TYR  99           HE2      TYR  99   3.548  -7.215  -7.215
  754    HH   TYR  99           HH       TYR  99   6.831  -6.403  -6.403
  755    H    THR 100           HN       THR 100   4.331  -4.051  -4.051
  756    HA   THR 100           HA       THR 100   2.388  -6.101  -6.101
  757    HB   THR 100           HB       THR 100   2.331  -4.418  -4.418
  758    HG1  THR 100           HG1      THR 100   3.886  -6.696  -6.696
  759   1HG2  THR 100          HG23      THR 100   4.962  -3.962  -3.962
  760   2HG2  THR 100          HG22      THR 100   5.114  -4.777  -4.777
  761   3HG2  THR 100          HG21      THR 100   4.161  -3.298  -3.298
  762    H    ALA 101           HN       ALA 101   3.868  -7.148  -7.148
  763    HA   ALA 101           HA       ALA 101   6.446  -8.024  -8.024
  764   1HB   ALA 101           HB3      ALA 101   6.296  -6.508  -6.508
  765   2HB   ALA 101           HB2      ALA 101   5.915  -8.030  -8.030
  766   3HB   ALA 101           HB1      ALA 101   7.448  -7.842  -7.842
  767    H    GLY 102           HN       GLY 102   6.755  -9.968  -9.968
  768   1HA   GLY 102           HA2      GLY 102   5.132 -12.122 -12.122
  769   2HA   GLY 102           HA1      GLY 102   6.425 -12.329 -12.329
  770    H    ARG 103           HN       ARG 103   5.854 -12.570 -12.570
  771    HA   ARG 103           HA       ARG 103   3.341 -11.511 -11.511
  772   1HB   ARG 103           HB1      ARG 103   3.314 -13.952 -13.952
  773   2HB   ARG 103           HB2      ARG 103   3.297 -14.403 -14.403
  774   1HG   ARG 103           HG2      ARG 103   1.295 -13.246 -13.246
  775   2HG   ARG 103           HG1      ARG 103   1.479 -12.226 -12.226
  776   1HD   ARG 103           HD2      ARG 103   1.409 -14.959 -14.959
  777   2HD   ARG 103           HD1      ARG 103   0.025 -14.671 -14.671
  778    HE   ARG 103           HE       ARG 103   0.662 -12.967 -12.967
  779   1HH1  ARG 103          HH21      ARG 103  -1.279 -13.081 -13.081
  780   2HH1  ARG 103          HH22      ARG 103  -2.784 -12.917 -12.917
  781   1HH2  ARG 103          HH11      ARG 103  -1.365 -13.273 -13.273
  782   2HH2  ARG 103          HH12      ARG 103  -2.833 -13.025 -13.025
  783    H    GLU 104           HN       GLU 104   5.950 -11.111 -11.111
  784    HA   GLU 104           HA       GLU 104   5.820 -12.399 -12.399
  785   1HB   GLU 104           HB2      GLU 104   8.149 -13.146 -13.146
  786   2HB   GLU 104           HB1      GLU 104   7.206 -13.830 -13.830
  787   1HG   GLU 104           HG2      GLU 104   7.971 -11.819 -11.819
  788   2HG   GLU 104           HG1      GLU 104   9.133 -11.503 -11.503
  789    H    ALA 105           HN       ALA 105   6.981 -11.170 -11.170
  790    HA   ALA 105           HA       ALA 105   6.900  -8.392  -8.392
  791   1HB   ALA 105           HB1      ALA 105   7.422 -10.161 -10.161
  792   2HB   ALA 105           HB3      ALA 105   9.101  -9.798  -9.798
  793   3HB   ALA 105           HB2      ALA 105   8.030  -8.513  -8.513
  794    H    ASP 106           HN       ASP 106   9.646 -10.482 -10.482
  795    HA   ASP 106           HA       ASP 106  11.586  -8.461  -8.461
  796   1HB   ASP 106           HB2      ASP 106  11.062 -11.111 -11.111
  797   2HB   ASP 106           HB1      ASP 106  12.563 -10.198 -10.198
  798    H    ASP 107           HN       ASP 107   8.957  -9.602  -9.602
  799    HA   ASP 107           HA       ASP 107   9.807  -8.157  -8.157
  800   1HB   ASP 107           HB1      ASP 107   7.414  -9.634  -9.634
  801   2HB   ASP 107           HB2      ASP 107   7.161  -8.527  -8.527
  802    H    ILE 108           HN       ILE 108   7.964  -7.351  -7.351
  803    HA   ILE 108           HA       ILE 108   6.685  -4.958  -4.958
  804    HB   ILE 108           HB       ILE 108   7.598  -5.832  -5.832
  805   1HG1  ILE 108          HG12      ILE 108   6.048  -7.397  -7.397
  806   2HG1  ILE 108          HG11      ILE 108   5.337  -6.699  -6.699
  807   1HG2  ILE 108          HG21      ILE 108   6.115  -3.470  -3.470
  808   2HG2  ILE 108          HG23      ILE 108   5.397  -4.285  -4.285
  809   3HG2  ILE 108          HG22      ILE 108   7.050  -3.674  -3.674
  810   1HD1  ILE 108          HD11      ILE 108   4.827  -4.972  -4.972
  811   2HD1  ILE 108          HD13      ILE 108   4.290  -6.611  -6.611
  812   3HD1  ILE 108          HD12      ILE 108   3.669  -5.779  -5.779
  813    H    VAL 109           HN       VAL 109   9.735  -5.525  -5.525
  814    HA   VAL 109           HA       VAL 109  10.507  -2.729  -2.729
  815    HB   VAL 109           HB       VAL 109  12.109  -5.290  -5.290
  816   1HG1  VAL 109          HG21      VAL 109  13.019  -2.674  -2.674
  817   2HG1  VAL 109          HG23      VAL 109  12.887  -2.926  -2.926
  818   3HG1  VAL 109          HG22      VAL 109  13.885  -4.007  -4.007
  819   1HG2  VAL 109          HG11      VAL 109   9.964  -4.475  -4.475
  820   2HG2  VAL 109          HG13      VAL 109  11.280  -5.486  -5.486
  821   3HG2  VAL 109          HG12      VAL 109  11.314  -3.744  -3.744
  822    H    ASN 110           HN       ASN 110  11.389  -5.514  -5.514
  823    HA   ASN 110           HA       ASN 110  13.392  -4.245  -4.245
  824   1HB   ASN 110           HB1      ASN 110  11.617  -6.593  -6.593
  825   2HB   ASN 110           HB2      ASN 110  12.121  -6.014  -6.014
  826   1HD2  ASN 110          HD22      ASN 110  14.912  -8.174  -8.174
  827   2HD2  ASN 110          HD21      ASN 110  13.377  -8.169  -8.169
  828    H    TRP 111           HN       TRP 111   9.881  -4.049  -4.049
  829    HA   TRP 111           HA       TRP 111   9.920  -2.652  -2.652
  830   1HB   TRP 111           HB1      TRP 111   8.142  -4.258  -4.258
  831   2HB   TRP 111           HB2      TRP 111   7.521  -2.681  -2.681
  832    HD1  TRP 111           HD1      TRP 111   8.269  -4.771  -4.771
  833    HE1  TRP 111           HE1      TRP 111   6.894  -3.830  -3.830
  834    HE3  TRP 111           HE3      TRP 111   6.289  -0.615  -0.615
  835    HZ2  TRP 111           HZ2      TRP 111   5.181  -1.608  -1.608
  836    HZ3  TRP 111           HZ3      TRP 111   4.791   0.894   0.894
  837    HH2  TRP 111           HH2      TRP 111   4.235   0.403   0.403
  838    H    LEU 112           HN       LEU 112   9.895  -1.926  -1.926
  839    HA   LEU 112           HA       LEU 112   9.087   0.879   0.879
  840   1HB   LEU 112           HB2      LEU 112   9.457  -1.104  -1.104
  841   2HB   LEU 112           HB1      LEU 112  10.202   0.428   0.428
  842    HG   LEU 112           HG       LEU 112   7.833   0.343   0.343
  843   1HD1  LEU 112          HD22      LEU 112   9.086   2.439   2.439
  844   2HD1  LEU 112          HD21      LEU 112   7.824   2.255   2.255
  845   3HD1  LEU 112          HD23      LEU 112   7.388   2.529   2.529
  846   1HD2  LEU 112          HD12      LEU 112   7.303   0.067   0.067
  847   2HD2  LEU 112          HD11      LEU 112   7.018  -1.176  -1.176
  848   3HD2  LEU 112          HD13      LEU 112   6.069   0.311   0.311
  849    H    LYS 113           HN       LYS 113  12.082  -0.986  -0.986
  850    HA   LYS 113           HA       LYS 113  13.760   1.353   1.353
  851   1HB   LYS 113           HB2      LYS 113  14.303  -1.520  -1.520
  852   2HB   LYS 113           HB1      LYS 113  15.558  -0.366  -0.366
  853   1HG   LYS 113           HG2      LYS 113  13.192  -0.957  -0.957
  854   2HG   LYS 113           HG1      LYS 113  14.689  -1.888  -1.888
  855   1HD   LYS 113           HD2      LYS 113  14.567   1.128   1.128
  856   2HD   LYS 113           HD1      LYS 113  14.578   0.040   0.040
  857   1HE   LYS 113           HE2      LYS 113  16.739  -0.938  -0.938
  858   2HE   LYS 113           HE1      LYS 113  16.757   0.351   0.351
  859   1HZ   LYS 113           HZ3      LYS 113  16.335   0.966   0.966
  860   2HZ   LYS 113           HZ2      LYS 113  17.905   0.803   0.803
  861   3HZ   LYS 113           HZ1      LYS 113  16.862   1.996   1.996
  862    H    LYS 114           HN       LYS 114  12.246   0.144   0.144
  863    HA   LYS 114           HA       LYS 114  14.167   0.411   0.411
  864   1HB   LYS 114           HB2      LYS 114  11.207   0.956   0.956
  865   2HB   LYS 114           HB1      LYS 114  12.046   1.178   1.178
  866   1HG   LYS 114           HG2      LYS 114  12.377  -1.380  -1.380
  867   2HG   LYS 114           HG1      LYS 114  10.972  -1.146  -1.146
  868   1HD   LYS 114           HD2      LYS 114  12.193  -1.427  -1.427
  869   2HD   LYS 114           HD1      LYS 114  13.470  -0.356  -0.356
  870   1HE   LYS 114           HE2      LYS 114  14.417  -2.173  -2.173
  871   2HE   LYS 114           HE1      LYS 114  13.114  -3.257  -3.257
  872   1HZ   LYS 114           HZ2      LYS 114  13.769  -2.865  -2.865
  873   2HZ   LYS 114           HZ1      LYS 114  15.046  -1.871  -1.871
  874   3HZ   LYS 114           HZ3      LYS 114  15.058  -3.525  -3.525
  875    H    ARG 115           HN       ARG 115  12.700   2.858   2.858
  876    HA   ARG 115           HA       ARG 115  13.684   5.040   5.040
  877   1HB   ARG 115           HB2      ARG 115  11.410   4.612   4.612
  878   2HB   ARG 115           HB1      ARG 115  12.357   5.806   5.806
  879   1HG   ARG 115           HG2      ARG 115  12.030   6.166   6.166
  880   2HG   ARG 115           HG1      ARG 115  10.669   6.563   6.563
  881   1HD   ARG 115           HD2      ARG 115  12.283   7.979   7.979
  882   2HD   ARG 115           HD1      ARG 115  13.457   7.756   7.756
  883    HE   ARG 115           HE       ARG 115  10.946   8.542   8.542
  884   1HH1  ARG 115          HH21      ARG 115  13.743   9.725   9.725
  885   2HH1  ARG 115          HH22      ARG 115  13.491  11.360  11.360
  886   1HH2  ARG 115          HH11      ARG 115  10.531  10.663  10.663
  887   2HH2  ARG 115          HH12      ARG 115  11.674  11.891  11.891
  888    H    THR 116           HN       THR 116  14.418   3.384   3.384
  889    HA   THR 116           HA       THR 116  16.171   5.577   5.577
  890    HB   THR 116           HB       THR 116  16.417   4.098   4.098
  891    HG1  THR 116           HG1      THR 116  16.514   2.120   2.120
  892   1HG2  THR 116          HG21      THR 116  14.057   5.258   5.258
  893   2HG2  THR 116          HG23      THR 116  13.566   3.619   3.619
  894   3HG2  THR 116          HG22      THR 116  14.357   4.644   4.644
  895    H    GLY 117           HN       GLY 117  16.499   2.181   2.181
  896   1HA   GLY 117           HA1      GLY 117  18.774   2.410   2.410
  897   2HA   GLY 117           HA2      GLY 117  19.412   2.300   2.300
  898    HA   PRO 118           HA       PRO 118  18.668  -1.987  -1.987
  899   1HB   PRO 118           HB2      PRO 118  21.157  -2.954  -2.954
  900   2HB   PRO 118           HB1      PRO 118  20.771  -2.169  -2.169
  901   1HG   PRO 118           HG2      PRO 118  22.158  -1.074  -1.074
  902   2HG   PRO 118           HG1      PRO 118  22.481  -0.790  -0.790
  903   1HD   PRO 118           HD2      PRO 118  21.150   0.975   0.975
  904   2HD   PRO 118           HD1      PRO 118  20.918   0.872   0.872
  905    H    ALA 119           HN       ALA 119  19.071  -4.083  -4.083
  906    HA   ALA 119           HA       ALA 119  18.464  -3.411  -3.411
  907   1HB   ALA 119           HB1      ALA 119  17.005  -4.844  -4.844
  908   2HB   ALA 119           HB3      ALA 119  18.253  -6.080  -6.080
  909   3HB   ALA 119           HB2      ALA 119  17.372  -5.534  -5.534
  910    H    ALA 120           HN       ALA 120  20.765  -5.175  -5.175
  911    HA   ALA 120           HA       ALA 120  22.803  -6.242  -6.242
  912   1HB   ALA 120           HB2      ALA 120  22.705  -3.744  -3.744
  913   2HB   ALA 120           HB1      ALA 120  22.943  -4.691  -4.691
  914   3HB   ALA 120           HB3      ALA 120  24.111  -4.797  -4.797

  Start of MODEL   12
    1   1H    ASP   1           HT2      ASP   1 -10.751   7.660   7.660
    2   2H    ASP   1           HT1      ASP   1 -11.994   8.752   8.752
    3   3H    ASP   1           HT3      ASP   1 -10.386   9.286   9.286
    4    HA   ASP   1           HA       ASP   1 -10.993   9.038   9.038
    5   1HB   ASP   1           HB2      ASP   1 -12.681   7.156   7.156
    6   2HB   ASP   1           HB1      ASP   1 -11.505   6.146   6.146
    7    H    ALA   2           HN       ALA   2  -8.596   9.342   9.342
    8    HA   ALA   2           HA       ALA   2  -6.376   8.698   8.698
    9   1HB   ALA   2           HB1      ALA   2  -7.783   7.644   7.644
   10   2HB   ALA   2           HB3      ALA   2  -7.502   6.122   6.122
   11   3HB   ALA   2           HB2      ALA   2  -6.136   7.065   7.065
   12    HA   PRO   3           HA       PRO   3  -5.817   6.181   6.181
   13   1HB   PRO   3           HB2      PRO   3  -3.126   6.593   6.593
   14   2HB   PRO   3           HB1      PRO   3  -4.342   7.785   7.785
   15   1HG   PRO   3           HG2      PRO   3  -2.656   7.695   7.695
   16   2HG   PRO   3           HG1      PRO   3  -3.154   9.085   9.085
   17   1HD   PRO   3           HD2      PRO   3  -4.314   8.399   8.399
   18   2HD   PRO   3           HD1      PRO   3  -5.142   9.305   9.305
   19    H    GLU   4           HN       GLU   4  -5.880   3.991   3.991
   20    HA   GLU   4           HA       GLU   4  -3.983   2.804   2.804
   21   1HB   GLU   4           HB2      GLU   4  -6.642   2.501   2.501
   22   2HB   GLU   4           HB1      GLU   4  -6.054   1.207   1.207
   23   1HG   GLU   4           HG1      GLU   4  -4.517   0.662   0.662
   24   2HG   GLU   4           HG2      GLU   4  -5.778   1.524   1.524
   25    H    GLU   5           HN       GLU   5  -2.859   0.776   0.776
   26    HA   GLU   5           HA       GLU   5  -2.438   0.510   0.510
   27   1HB   GLU   5           HB1      GLU   5  -0.373   0.791   0.791
   28   2HB   GLU   5           HB2      GLU   5   0.019   0.326   0.326
   29   1HG   GLU   5           HG1      GLU   5   0.266   2.576   2.576
   30   2HG   GLU   5           HG2      GLU   5  -1.489   2.545   2.545
   31    H    GLU   6           HN       GLU   6  -1.017  -1.559  -1.559
   32    HA   GLU   6           HA       GLU   6  -1.850  -3.689  -3.689
   33   1HB   GLU   6           HB1      GLU   6  -2.285  -3.323  -3.323
   34   2HB   GLU   6           HB2      GLU   6  -1.957  -4.961  -4.961
   35   1HG   GLU   6           HG2      GLU   6  -4.002  -3.237  -3.237
   36   2HG   GLU   6           HG1      GLU   6  -4.432  -4.157  -4.157
   37    H    ASP   7           HN       ASP   7  -0.063  -4.761  -4.761
   38    HA   ASP   7           HA       ASP   7   2.127  -5.627  -5.627
   39   1HB   ASP   7           HB2      ASP   7   1.078  -5.955  -5.955
   40   2HB   ASP   7           HB1      ASP   7   2.814  -6.201  -6.201
   41    H    HIS   8           HN       HIS   8   2.721  -4.279  -4.279
   42    HA   HIS   8           HA       HIS   8   4.412  -2.156  -2.156
   43   1HB   HIS   8           HB2      HIS   8   5.023  -3.876  -3.876
   44   2HB   HIS   8           HB1      HIS   8   6.095  -2.671  -2.671
   45    HD1  HIS   8           HD1      HIS   8   6.079  -3.227  -3.227
   46    HD2  HIS   8           HD2      HIS   8   5.968  -6.329  -6.329
   47    HE1  HIS   8           HE1      HIS   8   6.912  -5.296  -5.296
   48    H    VAL   9           HN       VAL   9   1.927  -2.846  -2.846
   49    HA   VAL   9           HA       VAL   9   2.489  -0.368  -0.368
   50    HB   VAL   9           HB       VAL   9   0.830  -1.384  -1.384
   51   1HG1  VAL   9          HG23      VAL   9   3.058  -3.209  -3.209
   52   2HG1  VAL   9          HG22      VAL   9   2.185  -3.412  -3.412
   53   3HG1  VAL   9          HG21      VAL   9   3.167  -1.971  -1.971
   54   1HG2  VAL   9          HG12      VAL   9  -0.073  -2.692  -2.692
   55   2HG2  VAL   9          HG11      VAL   9  -0.503  -3.122  -3.122
   56   3HG2  VAL   9          HG13      VAL   9   0.811  -3.968  -3.968
   57    H    LEU  10           HN       LEU  10   0.491   0.972   0.972
   58    HA   LEU  10           HA       LEU  10  -1.318   1.026   1.026
   59   1HB   LEU  10           HB2      LEU  10  -1.374   3.439   3.439
   60   2HB   LEU  10           HB1      LEU  10   0.308   2.910   2.910
   61    HG   LEU  10           HG       LEU  10  -0.219   2.678   2.678
   62   1HD1  LEU  10          HD22      LEU  10  -2.544   3.690   3.690
   63   2HD1  LEU  10          HD21      LEU  10  -1.665   5.212   5.212
   64   3HD1  LEU  10          HD23      LEU  10  -1.679   4.348   4.348
   65   1HD2  LEU  10          HD11      LEU  10   1.660   3.888   3.888
   66   2HD2  LEU  10          HD13      LEU  10   0.944   4.833   4.833
   67   3HD2  LEU  10          HD12      LEU  10   0.573   5.227   5.227
   68    H    VAL  11           HN       VAL  11  -3.541   1.186   1.186
   69    HA   VAL  11           HA       VAL  11  -4.467   0.511   0.511
   70    HB   VAL  11           HB       VAL  11  -6.650   0.279   0.279
   71   1HG1  VAL  11          HG13      VAL  11  -4.228  -1.033  -1.033
   72   2HG1  VAL  11          HG12      VAL  11  -5.890  -1.568  -1.568
   73   3HG1  VAL  11          HG11      VAL  11  -5.174  -1.646  -1.646
   74   1HG2  VAL  11          HG21      VAL  11  -5.399   2.021   2.021
   75   2HG2  VAL  11          HG23      VAL  11  -6.990   1.275   1.275
   76   3HG2  VAL  11          HG22      VAL  11  -5.573   0.483   0.483
   77    H    LEU  12           HN       LEU  12  -5.814   1.861   1.861
   78    HA   LEU  12           HA       LEU  12  -5.946   4.716   4.716
   79   1HB   LEU  12           HB2      LEU  12  -5.769   3.406   3.406
   80   2HB   LEU  12           HB1      LEU  12  -5.994   5.138   5.138
   81    HG   LEU  12           HG       LEU  12  -3.663   3.494   3.494
   82   1HD1  LEU  12          HD22      LEU  12  -3.918   4.150   4.150
   83   2HD1  LEU  12          HD21      LEU  12  -3.470   5.757   5.757
   84   3HD1  LEU  12          HD23      LEU  12  -2.375   4.396   4.396
   85   1HD2  LEU  12          HD12      LEU  12  -4.502   6.368   6.368
   86   2HD2  LEU  12          HD11      LEU  12  -3.956   5.224   5.224
   87   3HD2  LEU  12          HD13      LEU  12  -2.799   5.913   5.913
   88    H    ARG  13           HN       ARG  13  -7.821   5.871   5.871
   89    HA   ARG  13           HA       ARG  13 -10.197   4.214   4.214
   90   1HB   ARG  13           HB2      ARG  13  -9.539   5.259   5.259
   91   2HB   ARG  13           HB1      ARG  13 -10.985   6.079   6.079
   92   1HG   ARG  13           HG2      ARG  13 -12.056   3.918   3.918
   93   2HG   ARG  13           HG1      ARG  13 -10.597   3.071   3.071
   94   1HD   ARG  13           HD2      ARG  13 -11.593   5.016   5.016
   95   2HD   ARG  13           HD1      ARG  13 -12.699   3.665   3.665
   96    HE   ARG  13           HE       ARG  13  -9.817   3.317   3.317
   97   1HH1  ARG  13          HH21      ARG  13  -9.712   0.861   0.861
   98   2HH1  ARG  13          HH22      ARG  13 -10.931   0.030   0.030
   99   1HH2  ARG  13          HH11      ARG  13 -12.858   2.866   2.866
  100   2HH2  ARG  13          HH12      ARG  13 -12.712   1.165   1.165
  101    H    LYS  14           HN       LYS  14 -12.162   5.884   5.884
  102    HA   LYS  14           HA       LYS  14 -11.644   7.649   7.649
  103   1HB   LYS  14           HB1      LYS  14 -13.806   6.729   6.729
  104   2HB   LYS  14           HB2      LYS  14 -13.893   8.489   8.489
  105   1HG   LYS  14           HG1      LYS  14 -13.260   7.627   7.627
  106   2HG   LYS  14           HG2      LYS  14 -14.683   6.754   6.754
  107   1HD   LYS  14           HD2      LYS  14 -14.456   9.726   9.726
  108   2HD   LYS  14           HD1      LYS  14 -15.012   9.088   9.088
  109   1HE   LYS  14           HE2      LYS  14 -16.498   7.602   7.602
  110   2HE   LYS  14           HE1      LYS  14 -16.416   9.185   9.185
  111   1HZ   LYS  14           HZ2      LYS  14 -16.956   8.941   8.941
  112   2HZ   LYS  14           HZ1      LYS  14 -18.216   8.864   8.864
  113   3HZ   LYS  14           HZ3      LYS  14 -17.261  10.260  10.260
  114    H    SER  15           HN       SER  15 -11.121   8.134   8.134
  115    HA   SER  15           HA       SER  15 -10.950  11.096  11.096
  116   1HB   SER  15           HB2      SER  15 -11.618   9.226   9.226
  117   2HB   SER  15           HB1      SER  15 -10.726  10.673  10.673
  118    HG   SER  15           HG       SER  15 -13.237  10.576  10.576
  119    H    ASN  16           HN       ASN  16  -8.953   8.306   8.306
  120    HA   ASN  16           HA       ASN  16  -6.672   9.993   9.993
  121   1HB   ASN  16           HB2      ASN  16  -6.936   6.978   6.978
  122   2HB   ASN  16           HB1      ASN  16  -5.682   7.870   7.870
  123   1HD2  ASN  16          HD22      ASN  16  -8.299   6.854   6.854
  124   2HD2  ASN  16          HD21      ASN  16  -7.274   6.016   6.016
  125    H    PHE  17           HN       PHE  17  -7.926   8.451   8.451
  126    HA   PHE  17           HA       PHE  17  -5.564   7.669   7.669
  127   1HB   PHE  17           HB2      PHE  17  -7.980   7.251   7.251
  128   2HB   PHE  17           HB1      PHE  17  -8.070   8.923   8.923
  129    HD1  PHE  17           HD2      PHE  17  -6.241   9.670   9.670
  130    HD2  PHE  17           HD1      PHE  17  -7.258   5.577   5.577
  131    HE1  PHE  17           HE2      PHE  17  -5.255   8.999   8.999
  132    HE2  PHE  17           HE1      PHE  17  -6.275   4.904   4.904
  133    HZ   PHE  17           HZ       PHE  17  -5.248   6.616   6.616
  134    H    ALA  18           HN       ALA  18  -7.391  10.686  10.686
  135    HA   ALA  18           HA       ALA  18  -5.416  12.005  12.005
  136   1HB   ALA  18           HB3      ALA  18  -7.545  13.005  13.005
  137   2HB   ALA  18           HB2      ALA  18  -6.649  14.070  14.070
  138   3HB   ALA  18           HB1      ALA  18  -7.686  12.807  12.807
  139    H    GLU  19           HN       GLU  19  -5.549  11.446  11.446
  140    HA   GLU  19           HA       GLU  19  -3.605  13.520  13.520
  141   1HB   GLU  19           HB2      GLU  19  -5.463  12.621  12.621
  142   2HB   GLU  19           HB1      GLU  19  -4.598  11.090  11.090
  143   1HG   GLU  19           HG2      GLU  19  -3.531  11.955  11.955
  144   2HG   GLU  19           HG1      GLU  19  -2.637  12.937  12.937
  145    H    ALA  20           HN       ALA  20  -3.643   9.961   9.961
  146    HA   ALA  20           HA       ALA  20  -1.018   9.356   9.356
  147   1HB   ALA  20           HB1      ALA  20  -3.224   8.161   8.161
  148   2HB   ALA  20           HB3      ALA  20  -1.763   7.785   7.785
  149   3HB   ALA  20           HB2      ALA  20  -1.875   7.348   7.348
  150    H    LEU  21           HN       LEU  21  -2.160  10.317  10.317
  151    HA   LEU  21           HA       LEU  21   0.377  10.135  10.135
  152   1HB   LEU  21           HB2      LEU  21  -2.302  11.305  11.305
  153   2HB   LEU  21           HB1      LEU  21  -0.999  12.088  12.088
  154    HG   LEU  21           HG       LEU  21  -0.494   9.338   9.338
  155   1HD1  LEU  21          HD11      LEU  21  -3.066   9.410   9.410
  156   2HD1  LEU  21          HD13      LEU  21  -3.295   9.694   9.694
  157   3HD1  LEU  21          HD12      LEU  21  -2.470   8.235   8.235
  158   1HD2  LEU  21          HD21      LEU  21  -0.623  11.545  11.545
  159   2HD2  LEU  21          HD23      LEU  21  -0.404   9.902   9.902
  160   3HD2  LEU  21          HD22      LEU  21  -2.011  10.621  10.621
  161    H    ALA  22           HN       ALA  22  -1.334  13.061  13.061
  162    HA   ALA  22           HA       ALA  22   0.953  14.796  14.796
  163   1HB   ALA  22           HB2      ALA  22  -1.823  14.856  14.856
  164   2HB   ALA  22           HB1      ALA  22  -0.804  15.880  15.880
  165   3HB   ALA  22           HB3      ALA  22  -0.863  16.141  16.141
  166    H    ALA  23           HN       ALA  23   0.201  12.398  12.398
  167    HA   ALA  23           HA       ALA  23   1.509  13.684  13.684
  168   1HB   ALA  23           HB1      ALA  23   0.270  11.021  11.021
  169   2HB   ALA  23           HB3      ALA  23   1.190  11.206  11.206
  170   3HB   ALA  23           HB2      ALA  23  -0.243  12.196  12.196
  171    H    HIS  24           HN       HIS  24   2.238  10.884  10.884
  172    HA   HIS  24           HA       HIS  24   5.142  11.300  11.300
  173   1HB   HIS  24           HB1      HIS  24   3.362   9.029   9.029
  174   2HB   HIS  24           HB2      HIS  24   4.704   8.617   8.617
  175    HD1  HIS  24           HD1      HIS  24   7.042   8.476   8.476
  176    HD2  HIS  24           HD2      HIS  24   4.172   9.840   9.840
  177    HE1  HIS  24           HE1      HIS  24   8.152   8.498   8.498
  178    H    LYS  25           HN       LYS  25   6.513  11.303  11.303
  179    HA   LYS  25           HA       LYS  25   5.589  11.933  11.933
  180   1HB   LYS  25           HB2      LYS  25   8.095  10.841  10.841
  181   2HB   LYS  25           HB1      LYS  25   7.974  10.852  10.852
  182   1HG   LYS  25           HG1      LYS  25   7.040  13.354  13.354
  183   2HG   LYS  25           HG2      LYS  25   8.270  13.104  13.104
  184   1HD   LYS  25           HD2      LYS  25   8.807  12.538  12.538
  185   2HD   LYS  25           HD1      LYS  25   9.059  14.138  14.138
  186   1HE   LYS  25           HE2      LYS  25  10.352  12.616  12.616
  187   2HE   LYS  25           HE1      LYS  25  10.631  11.650  11.650
  188   1HZ   LYS  25           HZ1      LYS  25  10.957  14.591  14.591
  189   2HZ   LYS  25           HZ3      LYS  25  12.236  13.557  13.557
  190   3HZ   LYS  25           HZ2      LYS  25  11.544  13.471  13.471
  191    H    TYR  26           HN       TYR  26   7.394   8.904   8.904
  192    HA   TYR  26           HA       TYR  26   5.815   7.631   7.631
  193   1HB   TYR  26           HB1      TYR  26   8.099   7.039   7.039
  194   2HB   TYR  26           HB2      TYR  26   7.221   5.636   5.636
  195    HD1  TYR  26           HD2      TYR  26   7.781   8.922   8.922
  196    HD2  TYR  26           HD1      TYR  26   8.683   4.725   4.725
  197    HE1  TYR  26           HE2      TYR  26   8.944   9.131   9.131
  198    HE2  TYR  26           HE1      TYR  26   9.847   4.932   4.932
  199    HH   TYR  26           HH       TYR  26   9.763   7.931   7.931
  200    H    LEU  27           HN       LEU  27   3.643   7.316   7.316
  201    HA   LEU  27           HA       LEU  27   3.144   5.931   5.931
  202   1HB   LEU  27           HB1      LEU  27   2.134   8.255   8.255
  203   2HB   LEU  27           HB2      LEU  27   0.946   7.132   7.132
  204    HG   LEU  27           HG       LEU  27   0.235   7.882   7.882
  205   1HD1  LEU  27          HD21      LEU  27  -0.239   5.544   5.544
  206   2HD1  LEU  27          HD23      LEU  27   1.257   5.029   5.029
  207   3HD1  LEU  27          HD22      LEU  27  -0.058   5.694   5.694
  208   1HD2  LEU  27          HD12      LEU  27   2.706   8.247   8.247
  209   2HD2  LEU  27          HD11      LEU  27   1.576   7.671   7.671
  210   3HD2  LEU  27          HD13      LEU  27   2.682   6.539   6.539
  211    H    LEU  28           HN       LEU  28   2.907   3.761   3.761
  212    HA   LEU  28           HA       LEU  28   1.655   2.796   2.796
  213   1HB   LEU  28           HB2      LEU  28   3.908   1.969   1.969
  214   2HB   LEU  28           HB1      LEU  28   3.258   1.372   1.372
  215    HG   LEU  28           HG       LEU  28   1.565   0.069   0.069
  216   1HD1  LEU  28          HD11      LEU  28   2.535   1.526   1.526
  217   2HD1  LEU  28          HD13      LEU  28   3.647   0.159   0.159
  218   3HD1  LEU  28          HD12      LEU  28   1.908  -0.106  -0.106
  219   1HD2  LEU  28          HD22      LEU  28   4.524  -0.552  -0.552
  220   2HD2  LEU  28          HD21      LEU  28   3.258  -1.137  -1.137
  221   3HD2  LEU  28          HD23      LEU  28   3.329  -1.711  -1.711
  222    H    VAL  29           HN       VAL  29  -0.344   1.832   1.832
  223    HA   VAL  29           HA       VAL  29  -1.376   0.967   0.967
  224    HB   VAL  29           HB       VAL  29  -2.211   3.192   3.192
  225   1HG1  VAL  29          HG11      VAL  29  -2.582   2.443   2.443
  226   2HG1  VAL  29          HG13      VAL  29  -3.483   3.786   3.786
  227   3HG1  VAL  29          HG12      VAL  29  -1.720   3.820   3.820
  228   1HG2  VAL  29          HG21      VAL  29  -4.291   1.253   1.253
  229   2HG2  VAL  29          HG23      VAL  29  -3.993   1.679   1.679
  230   3HG2  VAL  29          HG22      VAL  29  -4.657   2.880   2.880
  231    H    GLU  30           HN       GLU  30  -3.258  -0.492  -0.492
  232    HA   GLU  30           HA       GLU  30  -3.468  -1.792  -1.792
  233   1HB   GLU  30           HB1      GLU  30  -1.900  -3.048  -3.048
  234   2HB   GLU  30           HB2      GLU  30  -3.007  -3.026  -3.026
  235   1HG   GLU  30           HG2      GLU  30  -4.504  -4.532  -4.532
  236   2HG   GLU  30           HG1      GLU  30  -3.827  -4.245  -4.245
  237    H    PHE  31           HN       PHE  31  -5.480  -3.004  -3.004
  238    HA   PHE  31           HA       PHE  31  -7.662  -2.181  -2.181
  239   1HB   PHE  31           HB1      PHE  31  -7.379  -2.211  -2.211
  240   2HB   PHE  31           HB2      PHE  31  -8.974  -2.284  -2.284
  241    HD1  PHE  31           HD2      PHE  31  -5.824  -0.306  -0.306
  242    HD2  PHE  31           HD1      PHE  31  -9.995  -0.319  -0.319
  243    HE1  PHE  31           HE2      PHE  31  -5.743   2.145   2.145
  244    HE2  PHE  31           HE1      PHE  31  -9.914   2.134   2.134
  245    HZ   PHE  31           HZ       PHE  31  -7.788   3.367   3.367
  246    H    TYR  32           HN       TYR  32  -8.532  -4.024  -4.024
  247    HA   TYR  32           HA       TYR  32  -9.063  -6.370  -6.370
  248   1HB   TYR  32           HB1      TYR  32  -7.789  -7.880  -7.880
  249   2HB   TYR  32           HB2      TYR  32  -6.733  -6.588  -6.588
  250    HD1  TYR  32           HD2      TYR  32  -6.707  -4.435  -4.435
  251    HD2  TYR  32           HD1      TYR  32  -7.788  -8.400  -8.400
  252    HE1  TYR  32           HE2      TYR  32  -6.198  -3.831  -3.831
  253    HE2  TYR  32           HE1      TYR  32  -7.272  -7.795  -7.795
  254    HH   TYR  32           HH       TYR  32  -7.199  -5.017  -5.017
  255    H    ALA  33           HN       ALA  33  -9.806  -8.206  -8.206
  256    HA   ALA  33           HA       ALA  33 -11.527  -7.048  -7.048
  257   1HB   ALA  33           HB2      ALA  33 -12.499  -7.099  -7.099
  258   2HB   ALA  33           HB1      ALA  33 -12.954  -8.719  -8.719
  259   3HB   ALA  33           HB3      ALA  33 -13.524  -7.309  -7.309
  260    HA   PRO  34           HA       PRO  34 -10.919 -11.025 -11.025
  261   1HB   PRO  34           HB2      PRO  34 -13.347 -11.563 -11.563
  262   2HB   PRO  34           HB1      PRO  34 -12.193 -10.386 -10.386
  263   1HG   PRO  34           HG2      PRO  34 -14.616  -9.934  -9.934
  264   2HG   PRO  34           HG1      PRO  34 -14.046  -9.026  -9.026
  265   1HD   PRO  34           HD2      PRO  34 -13.660  -8.146  -8.146
  266   2HD   PRO  34           HD1      PRO  34 -12.492  -7.841  -7.841
  267    H    TRP  35           HN       TRP  35 -13.536 -10.565 -10.565
  268    HA   TRP  35           HA       TRP  35 -13.888 -13.494 -13.494
  269   1HB   TRP  35           HB2      TRP  35 -15.777 -12.743 -12.743
  270   2HB   TRP  35           HB1      TRP  35 -15.840 -11.987 -11.987
  271    HD1  TRP  35           HD1      TRP  35 -15.680  -9.415  -9.415
  272    HE1  TRP  35           HE1      TRP  35 -15.445  -7.536  -7.536
  273    HE3  TRP  35           HE3      TRP  35 -14.645 -12.201 -12.201
  274    HZ2  TRP  35           HZ2      TRP  35 -14.890  -7.253  -7.253
  275    HZ3  TRP  35           HZ3      TRP  35 -14.269 -11.102 -11.102
  276    HH2  TRP  35           HH2      TRP  35 -14.389  -8.633  -8.633
  277    H    CYS  36           HN       CYS  36 -11.899 -11.033 -11.033
  278    HA   CYS  36           HA       CYS  36 -11.830 -11.348 -11.348
  279   1HB   CYS  36           HB2      CYS  36 -10.513  -9.726  -9.726
  280   2HB   CYS  36           HB1      CYS  36  -9.604 -11.019 -11.019
  281    H    GLY  37           HN       GLY  37 -10.716 -13.577 -13.577
  282   1HA   GLY  37           HA2      GLY  37 -10.011 -15.813 -15.813
  283   2HA   GLY  37           HA1      GLY  37 -10.587 -15.781 -15.781
  284    H    HIS  38           HN       HIS  38  -7.922 -16.543 -16.543
  285    HA   HIS  38           HA       HIS  38  -5.623 -16.570 -16.570
  286   1HB   HIS  38           HB2      HIS  38  -7.199 -16.217 -16.217
  287   2HB   HIS  38           HB1      HIS  38  -5.481 -15.850 -15.850
  288    HD1  HIS  38           HD1      HIS  38  -7.349 -18.594 -18.594
  289    HD2  HIS  38           HD2      HIS  38  -4.266 -18.166 -18.166
  290    HE1  HIS  38           HE1      HIS  38  -6.436 -20.919 -20.919
  291    H    CYS  39           HN       CYS  39  -7.099 -13.929 -13.929
  292    HA   CYS  39           HA       CYS  39  -5.228 -11.958 -11.958
  293   1HB   CYS  39           HB2      CYS  39  -7.957 -12.031 -12.031
  294   2HB   CYS  39           HB1      CYS  39  -7.087 -10.793 -10.793
  295    H    LYS  40           HN       LYS  40  -5.957 -13.630 -13.630
  296    HA   LYS  40           HA       LYS  40  -4.480 -11.847 -11.847
  297   1HB   LYS  40           HB2      LYS  40  -5.205 -14.761 -14.761
  298   2HB   LYS  40           HB1      LYS  40  -5.029 -13.506 -13.506
  299   1HG   LYS  40           HG1      LYS  40  -7.264 -13.209 -13.209
  300   2HG   LYS  40           HG2      LYS  40  -6.970 -12.489 -12.489
  301   1HD   LYS  40           HD2      LYS  40  -7.800 -14.295 -14.295
  302   2HD   LYS  40           HD1      LYS  40  -6.955 -15.426 -15.426
  303   1HE   LYS  40           HE2      LYS  40  -8.796 -15.732 -15.732
  304   2HE   LYS  40           HE1      LYS  40  -9.144 -13.993 -13.993
  305   1HZ   LYS  40           HZ3      LYS  40  -9.596 -15.716 -15.716
  306   2HZ   LYS  40           HZ2      LYS  40 -10.813 -15.296 -15.296
  307   3HZ   LYS  40           HZ1      LYS  40 -10.052 -14.093 -14.093
  308    H    ALA  41           HN       ALA  41  -3.705 -14.559 -14.559
  309    HA   ALA  41           HA       ALA  41  -1.356 -15.572 -15.572
  310   1HB   ALA  41           HB1      ALA  41  -2.663 -16.369 -16.369
  311   2HB   ALA  41           HB3      ALA  41  -1.838 -15.114 -15.114
  312   3HB   ALA  41           HB2      ALA  41  -0.909 -16.415 -16.415
  313    H    LEU  42           HN       LEU  42  -1.891 -12.509 -12.509
  314    HA   LEU  42           HA       LEU  42   1.038 -12.007 -12.007
  315   1HB   LEU  42           HB2      LEU  42  -0.592 -11.552 -11.552
  316   2HB   LEU  42           HB1      LEU  42  -1.339 -10.323 -10.323
  317    HG   LEU  42           HG       LEU  42   1.053  -9.347  -9.347
  318   1HD1  LEU  42          HD12      LEU  42   1.513 -11.612 -11.612
  319   2HD1  LEU  42          HD11      LEU  42   1.886 -10.135 -10.135
  320   3HD1  LEU  42          HD13      LEU  42   2.689 -10.468 -10.468
  321   1HD2  LEU  42          HD22      LEU  42  -1.058  -8.900  -8.900
  322   2HD2  LEU  42          HD21      LEU  42   0.284  -7.802  -7.802
  323   3HD2  LEU  42          HD23      LEU  42   0.378  -8.936  -8.936
  324    H    ALA  43           HN       ALA  43  -1.675 -11.273 -11.273
  325    HA   ALA  43           HA       ALA  43  -1.170  -8.756  -8.756
  326   1HB   ALA  43           HB2      ALA  43  -2.609 -11.094 -11.094
  327   2HB   ALA  43           HB1      ALA  43  -1.689 -10.693 -10.693
  328   3HB   ALA  43           HB3      ALA  43  -2.787  -9.505  -9.505
  329    HA   PRO  44           HA       PRO  44   2.175 -10.480 -10.480
  330   1HB   PRO  44           HB1      PRO  44   2.964 -13.084 -13.084
  331   2HB   PRO  44           HB2      PRO  44   1.590 -12.567 -12.567
  332   1HG   PRO  44           HG2      PRO  44   1.626 -13.933 -13.933
  333   2HG   PRO  44           HG1      PRO  44   0.412 -13.982 -13.982
  334   1HD   PRO  44           HD1      PRO  44   0.278 -12.496 -12.496
  335   2HD   PRO  44           HD2      PRO  44  -0.799 -12.354 -12.354
  336    H    GLU  45           HN       GLU  45   2.243 -10.353 -10.353
  337    HA   GLU  45           HA       GLU  45   5.191 -10.839 -10.839
  338   1HB   GLU  45           HB2      GLU  45   3.002 -10.838 -10.838
  339   2HB   GLU  45           HB1      GLU  45   4.704 -11.196 -11.196
  340   1HG   GLU  45           HG1      GLU  45   3.093 -12.763 -12.763
  341   2HG   GLU  45           HG2      GLU  45   3.108 -13.204 -13.204
  342    H    TYR  46           HN       TYR  46   2.435  -8.897  -8.897
  343    HA   TYR  46           HA       TYR  46   4.041  -6.648  -6.648
  344   1HB   TYR  46           HB2      TYR  46   1.910  -7.132  -7.132
  345   2HB   TYR  46           HB1      TYR  46   1.111  -7.206  -7.206
  346    HD1  TYR  46           HD1      TYR  46   1.018  -5.069  -5.069
  347    HD2  TYR  46           HD2      TYR  46   2.060  -5.121  -5.121
  348    HE1  TYR  46           HE1      TYR  46   0.520  -2.646  -2.646
  349    HE2  TYR  46           HE2      TYR  46   1.562  -2.685  -2.685
  350    HH   TYR  46           HH       TYR  46  -0.005  -0.975  -0.975
  351    H    ALA  47           HN       ALA  47   2.982  -7.817  -7.817
  352    HA   ALA  47           HA       ALA  47   3.043  -5.100  -5.100
  353   1HB   ALA  47           HB2      ALA  47   2.362  -7.877  -7.877
  354   2HB   ALA  47           HB1      ALA  47   2.266  -6.415  -6.415
  355   3HB   ALA  47           HB3      ALA  47   1.218  -6.603  -6.603
  356    H    LYS  48           HN       LYS  48   5.004  -7.948  -7.948
  357    HA   LYS  48           HA       LYS  48   6.751  -7.376  -7.376
  358   1HB   LYS  48           HB2      LYS  48   6.930  -9.274  -9.274
  359   2HB   LYS  48           HB1      LYS  48   7.978  -9.319  -9.319
  360   1HG   LYS  48           HG2      LYS  48   4.968  -9.672  -9.672
  361   2HG   LYS  48           HG1      LYS  48   6.155 -10.959 -10.959
  362   1HD   LYS  48           HD2      LYS  48   5.754  -8.584  -8.584
  363   2HD   LYS  48           HD1      LYS  48   5.328 -10.259 -10.259
  364   1HE   LYS  48           HE2      LYS  48   8.138  -9.194  -9.194
  365   2HE   LYS  48           HE1      LYS  48   7.471  -9.774  -9.774
  366   1HZ   LYS  48           HZ2      LYS  48   6.911 -11.879 -11.879
  367   2HZ   LYS  48           HZ1      LYS  48   7.962 -11.319 -11.319
  368   3HZ   LYS  48           HZ3      LYS  48   8.555 -11.625 -11.625
  369    H    ALA  49           HN       ALA  49   6.708  -6.775  -6.775
  370    HA   ALA  49           HA       ALA  49   9.442  -6.087  -6.087
  371   1HB   ALA  49           HB1      ALA  49   6.829  -5.735  -5.735
  372   2HB   ALA  49           HB3      ALA  49   7.957  -4.428  -4.428
  373   3HB   ALA  49           HB2      ALA  49   8.396  -6.098  -6.098
  374    H    ALA  50           HN       ALA  50   6.782  -4.307  -4.307
  375    HA   ALA  50           HA       ALA  50   8.128  -1.718  -1.718
  376   1HB   ALA  50           HB1      ALA  50   5.573  -2.825  -2.825
  377   2HB   ALA  50           HB3      ALA  50   6.101  -2.005  -2.005
  378   3HB   ALA  50           HB2      ALA  50   6.010  -1.118  -1.118
  379    H    GLY  51           HN       GLY  51   8.222  -4.548  -4.548
  380   1HA   GLY  51           HA2      GLY  51   9.190  -3.154  -3.154
  381   2HA   GLY  51           HA1      GLY  51   9.127  -4.902  -4.902
  382    H    LYS  52           HN       LYS  52  10.602  -4.697  -4.697
  383    HA   LYS  52           HA       LYS  52  13.289  -4.895  -4.895
  384   1HB   LYS  52           HB2      LYS  52  13.852  -5.465  -5.465
  385   2HB   LYS  52           HB1      LYS  52  12.316  -6.230  -6.230
  386   1HG   LYS  52           HG2      LYS  52  11.320  -5.163  -5.163
  387   2HG   LYS  52           HG1      LYS  52  11.772  -3.607  -3.607
  388   1HD   LYS  52           HD2      LYS  52  12.695  -3.829  -3.829
  389   2HD   LYS  52           HD1      LYS  52  13.998  -3.786  -3.786
  390   1HE   LYS  52           HE2      LYS  52  13.683  -6.430  -6.430
  391   2HE   LYS  52           HE1      LYS  52  13.033  -6.084  -6.084
  392   1HZ   LYS  52           HZ1      LYS  52  15.017  -4.674  -4.674
  393   2HZ   LYS  52           HZ3      LYS  52  15.662  -5.224  -5.224
  394   3HZ   LYS  52           HZ2      LYS  52  15.393  -6.319  -6.319
  395    H    LEU  53           HN       LEU  53  11.400  -2.319  -2.319
  396    HA   LEU  53           HA       LEU  53  13.855  -0.638  -0.638
  397   1HB   LEU  53           HB2      LEU  53  12.471   0.702   0.702
  398   2HB   LEU  53           HB1      LEU  53  12.298  -0.991  -0.991
  399    HG   LEU  53           HG       LEU  53  10.259  -0.905  -0.905
  400   1HD1  LEU  53          HD12      LEU  53  11.033   1.912   1.912
  401   2HD1  LEU  53          HD11      LEU  53   9.320   1.578   1.578
  402   3HD1  LEU  53          HD13      LEU  53  10.075   1.184   1.184
  403   1HD2  LEU  53          HD22      LEU  53  10.552  -0.237  -0.237
  404   2HD2  LEU  53          HD21      LEU  53   9.497  -1.416  -1.416
  405   3HD2  LEU  53          HD23      LEU  53   9.030   0.283   0.283
  406    H    LYS  54           HN       LYS  54  11.065  -1.132  -1.132
  407    HA   LYS  54           HA       LYS  54  10.384   1.409   1.409
  408   1HB   LYS  54           HB2      LYS  54   9.330  -0.740  -0.740
  409   2HB   LYS  54           HB1      LYS  54  10.773  -1.186  -1.186
  410   1HG   LYS  54           HG2      LYS  54  10.352   0.344   0.344
  411   2HG   LYS  54           HG1      LYS  54   9.438   1.419   1.419
  412   1HD   LYS  54           HD2      LYS  54   7.763  -0.607  -0.607
  413   2HD   LYS  54           HD1      LYS  54   8.539  -1.093  -1.093
  414   1HE   LYS  54           HE2      LYS  54   7.223   0.388   0.388
  415   2HE   LYS  54           HE1      LYS  54   8.019   1.701   1.701
  416   1HZ   LYS  54           HZ3      LYS  54   5.851   0.037   0.037
  417   2HZ   LYS  54           HZ2      LYS  54   5.560   1.518   1.518
  418   3HZ   LYS  54           HZ1      LYS  54   6.504   1.469   1.469
  419    H    ALA  55           HN       ALA  55  13.127  -0.649  -0.649
  420    HA   ALA  55           HA       ALA  55  14.110   1.241   1.241
  421   1HB   ALA  55           HB1      ALA  55  14.461  -1.419  -1.419
  422   2HB   ALA  55           HB3      ALA  55  15.978  -0.707  -0.707
  423   3HB   ALA  55           HB2      ALA  55  15.473  -0.522  -0.522
  424    H    GLU  56           HN       GLU  56  14.629   0.668   0.668
  425    HA   GLU  56           HA       GLU  56  17.049   2.240   2.240
  426   1HB   GLU  56           HB1      GLU  56  14.879   1.439   1.439
  427   2HB   GLU  56           HB2      GLU  56  16.468   2.061   2.061
  428   1HG   GLU  56           HG2      GLU  56  16.342  -0.285  -0.285
  429   2HG   GLU  56           HG1      GLU  56  16.009  -0.557  -0.557
  430    H    GLY  57           HN       GLY  57  13.599   2.939   2.939
  431   1HA   GLY  57           HA1      GLY  57  12.540   5.039   5.039
  432   2HA   GLY  57           HA2      GLY  57  14.131   5.798   5.798
  433    H    SER  58           HN       SER  58  12.861   3.644   3.644
  434    HA   SER  58           HA       SER  58  13.732   5.321   5.321
  435   1HB   SER  58           HB1      SER  58  12.659   2.778   2.778
  436   2HB   SER  58           HB2      SER  58  11.429   3.605   3.605
  437    HG   SER  58           HG       SER  58  13.281   4.292   4.292
  438    H    GLU  59           HN       GLU  59  12.336   6.539   6.539
  439    HA   GLU  59           HA       GLU  59  10.342   8.154   8.154
  440   1HB   GLU  59           HB2      GLU  59  10.388   9.405   9.405
  441   2HB   GLU  59           HB1      GLU  59  12.015   9.100   9.100
  442   1HG   GLU  59           HG2      GLU  59  12.437   7.441   7.441
  443   2HG   GLU  59           HG1      GLU  59  10.721   7.159   7.159
  444    H    ILE  60           HN       ILE  60  10.200   5.224   5.224
  445    HA   ILE  60           HA       ILE  60   7.593   5.711   5.711
  446    HB   ILE  60           HB       ILE  60   8.901   3.034   3.034
  447   1HG1  ILE  60          HG11      ILE  60   9.783   3.924   3.924
  448   2HG1  ILE  60          HG12      ILE  60  10.037   5.309   5.309
  449   1HG2  ILE  60          HG21      ILE  60   6.642   3.901   3.901
  450   2HG2  ILE  60          HG23      ILE  60   7.857   3.618   3.618
  451   3HG2  ILE  60          HG22      ILE  60   7.418   2.323   2.323
  452   1HD1  ILE  60          HD13      ILE  60  10.860   3.065   3.065
  453   2HD1  ILE  60          HD12      ILE  60  11.512   2.816   2.816
  454   3HD1  ILE  60          HD11      ILE  60  11.899   4.289   4.289
  455    H    ARG  61           HN       ARG  61   5.653   4.539   4.539
  456    HA   ARG  61           HA       ARG  61   5.654   3.404   3.404
  457   1HB   ARG  61           HB2      ARG  61   4.403   5.871   5.871
  458   2HB   ARG  61           HB1      ARG  61   3.330   4.853   4.853
  459   1HG   ARG  61           HG2      ARG  61   5.730   4.848   4.848
  460   2HG   ARG  61           HG1      ARG  61   5.563   6.513   6.513
  461   1HD   ARG  61           HD2      ARG  61   3.534   6.827   6.827
  462   2HD   ARG  61           HD1      ARG  61   3.206   5.085   5.085
  463    HE   ARG  61           HE       ARG  61   5.549   5.284   5.284
  464   1HH1  ARG  61          HH11      ARG  61   5.308   7.994   7.994
  465   2HH1  ARG  61          HH12      ARG  61   4.233   7.961   7.961
  466   1HH2  ARG  61          HH21      ARG  61   2.979   4.812   4.812
  467   2HH2  ARG  61          HH22      ARG  61   2.914   6.160   6.160
  468    H    LEU  62           HN       LEU  62   4.474   1.524   1.524
  469    HA   LEU  62           HA       LEU  62   2.876   0.764   0.764
  470   1HB   LEU  62           HB1      LEU  62   4.087  -0.589  -0.589
  471   2HB   LEU  62           HB2      LEU  62   2.834  -1.419  -1.419
  472    HG   LEU  62           HG       LEU  62   4.589  -0.364  -0.364
  473   1HD1  LEU  62          HD21      LEU  62   6.209  -0.032  -0.032
  474   2HD1  LEU  62          HD23      LEU  62   6.122  -1.763  -1.763
  475   3HD1  LEU  62          HD22      LEU  62   6.778  -1.187  -1.187
  476   1HD2  LEU  62          HD12      LEU  62   4.350  -3.148  -3.148
  477   2HD2  LEU  62          HD11      LEU  62   3.406  -2.496  -2.496
  478   3HD2  LEU  62          HD13      LEU  62   5.135  -2.771  -2.771
  479    H    ALA  63           HN       ALA  63   0.640   0.120   0.120
  480    HA   ALA  63           HA       ALA  63  -0.717   0.456   0.456
  481   1HB   ALA  63           HB1      ALA  63  -0.335   2.632   2.632
  482   2HB   ALA  63           HB3      ALA  63  -1.983   2.111   2.111
  483   3HB   ALA  63           HB2      ALA  63  -1.527   2.536   2.536
  484    H    LYS  64           HN       LYS  64  -3.066  -0.110  -0.110
  485    HA   LYS  64           HA       LYS  64  -3.793  -1.569  -1.569
  486   1HB   LYS  64           HB2      LYS  64  -4.322  -3.565  -3.565
  487   2HB   LYS  64           HB1      LYS  64  -2.641  -3.109  -3.109
  488   1HG   LYS  64           HG2      LYS  64  -3.444  -1.810  -1.810
  489   2HG   LYS  64           HG1      LYS  64  -4.996  -2.625  -2.625
  490   1HD   LYS  64           HD2      LYS  64  -3.486  -4.793  -4.793
  491   2HD   LYS  64           HD1      LYS  64  -2.338  -3.777  -3.777
  492   1HE   LYS  64           HE2      LYS  64  -3.943  -3.379  -3.379
  493   2HE   LYS  64           HE1      LYS  64  -5.219  -4.209  -4.209
  494   1HZ   LYS  64           HZ3      LYS  64  -2.638  -5.429  -5.429
  495   2HZ   LYS  64           HZ2      LYS  64  -4.128  -5.692  -5.692
  496   3HZ   LYS  64           HZ1      LYS  64  -3.891  -6.218  -6.218
  497    H    VAL  65           HN       VAL  65  -6.111  -1.858  -1.858
  498    HA   VAL  65           HA       VAL  65  -7.737  -0.266  -0.266
  499    HB   VAL  65           HB       VAL  65  -7.916  -0.480  -0.480
  500   1HG1  VAL  65          HG13      VAL  65 -10.127  -0.293  -0.293
  501   2HG1  VAL  65          HG12      VAL  65  -9.587   1.362   1.362
  502   3HG1  VAL  65          HG11      VAL  65  -9.881   0.805   0.805
  503   1HG2  VAL  65          HG23      VAL  65  -6.364   1.170   1.170
  504   2HG2  VAL  65          HG22      VAL  65  -6.698   1.417   1.417
  505   3HG2  VAL  65          HG21      VAL  65  -7.724   2.176   2.176
  506    H    ASP  66           HN       ASP  66  -9.767  -1.145  -1.145
  507    HA   ASP  66           HA       ASP  66 -10.152  -3.990  -3.990
  508   1HB   ASP  66           HB2      ASP  66 -10.770  -2.209  -2.209
  509   2HB   ASP  66           HB1      ASP  66 -12.030  -3.384  -3.384
  510    H    ALA  67           HN       ALA  67 -11.136  -3.780  -3.780
  511    HA   ALA  67           HA       ALA  67 -13.049  -1.936  -1.936
  512   1HB   ALA  67           HB3      ALA  67 -12.765  -4.914  -4.914
  513   2HB   ALA  67           HB2      ALA  67 -13.763  -3.841  -3.841
  514   3HB   ALA  67           HB1      ALA  67 -12.017  -3.607  -3.607
  515    H    THR  68           HN       THR  68 -13.463  -4.687  -4.687
  516    HA   THR  68           HA       THR  68 -16.384  -4.626  -4.626
  517    HB   THR  68           HB       THR  68 -15.104  -6.667  -6.667
  518    HG1  THR  68           HG1      THR  68 -17.132  -6.139  -6.139
  519   1HG2  THR  68          HG22      THR  68 -13.872  -4.930  -4.930
  520   2HG2  THR  68          HG21      THR  68 -13.974  -6.668  -6.668
  521   3HG2  THR  68          HG23      THR  68 -13.095  -6.048  -6.048
  522    H    GLU  69           HN       GLU  69 -14.166  -2.472  -2.472
  523    HA   GLU  69           HA       GLU  69 -15.968  -1.768  -1.768
  524   1HB   GLU  69           HB1      GLU  69 -13.634  -2.630  -2.630
  525   2HB   GLU  69           HB2      GLU  69 -13.005  -1.206  -1.206
  526   1HG   GLU  69           HG2      GLU  69 -14.617  -1.340  -1.340
  527   2HG   GLU  69           HG1      GLU  69 -13.054  -0.567  -0.567
  528    H    GLU  70           HN       GLU  70 -13.583  -0.341  -0.341
  529    HA   GLU  70           HA       GLU  70 -15.362   2.077   2.077
  530   1HB   GLU  70           HB1      GLU  70 -13.298   3.384   3.384
  531   2HB   GLU  70           HB2      GLU  70 -13.221   2.360   2.360
  532   1HG   GLU  70           HG1      GLU  70 -12.202   0.965   0.965
  533   2HG   GLU  70           HG2      GLU  70 -11.331   2.471   2.471
  534    H    SER  71           HN       SER  71 -15.843   0.021   0.021
  535    HA   SER  71           HA       SER  71 -14.433  -0.151  -0.151
  536   1HB   SER  71           HB2      SER  71 -16.944  -0.300  -0.300
  537   2HB   SER  71           HB1      SER  71 -16.278  -1.549  -1.549
  538    HG   SER  71           HG       SER  71 -17.651   0.753   0.753
  539    H    ASP  72           HN       ASP  72 -16.340   2.534   2.534
  540    HA   ASP  72           HA       ASP  72 -16.946   3.983   3.983
  541   1HB   ASP  72           HB1      ASP  72 -16.306   5.951   5.951
  542   2HB   ASP  72           HB2      ASP  72 -16.231   4.603   4.603
  543    H    LEU  73           HN       LEU  73 -13.837   3.481   3.481
  544    HA   LEU  73           HA       LEU  73 -12.414   5.537   5.537
  545   1HB   LEU  73           HB1      LEU  73 -11.900   4.354   4.354
  546   2HB   LEU  73           HB2      LEU  73 -11.235   3.063   3.063
  547    HG   LEU  73           HG       LEU  73  -9.732   4.699   4.699
  548   1HD1  LEU  73          HD21      LEU  73 -11.529   6.555   6.555
  549   2HD1  LEU  73          HD23      LEU  73  -9.907   6.848   6.848
  550   3HD1  LEU  73          HD22      LEU  73 -10.201   6.897   6.897
  551   1HD2  LEU  73          HD12      LEU  73  -9.724   4.124   4.124
  552   2HD2  LEU  73          HD11      LEU  73  -8.494   3.786   3.786
  553   3HD2  LEU  73          HD13      LEU  73  -8.630   5.403   5.403
  554    H    ALA  74           HN       ALA  74 -12.918   2.043   2.043
  555    HA   ALA  74           HA       ALA  74 -11.218   1.762   1.762
  556   1HB   ALA  74           HB1      ALA  74 -12.382   0.120   0.120
  557   2HB   ALA  74           HB3      ALA  74 -13.377  -0.193  -0.193
  558   3HB   ALA  74           HB2      ALA  74 -11.633  -0.450  -0.450
  559    H    GLN  75           HN       GLN  75 -14.630   2.383   2.383
  560    HA   GLN  75           HA       GLN  75 -15.574   1.970   1.970
  561   1HB   GLN  75           HB2      GLN  75 -16.831   2.051   2.051
  562   2HB   GLN  75           HB1      GLN  75 -16.753   3.806   3.806
  563   1HG   GLN  75           HG1      GLN  75 -18.223   3.845   3.845
  564   2HG   GLN  75           HG2      GLN  75 -17.699   2.275   2.275
  565   1HE2  GLN  75          HE22      GLN  75 -21.015   1.546   1.546
  566   2HE2  GLN  75          HE21      GLN  75 -20.316   2.256   2.256
  567    H    GLN  76           HN       GLN  76 -14.122   4.669   4.669
  568    HA   GLN  76           HA       GLN  76 -14.840   6.780   6.780
  569   1HB   GLN  76           HB1      GLN  76 -12.905   6.226   6.226
  570   2HB   GLN  76           HB2      GLN  76 -12.435   7.511   7.511
  571   1HG   GLN  76           HG1      GLN  76 -15.244   7.496   7.496
  572   2HG   GLN  76           HG2      GLN  76 -13.965   8.017   8.017
  573   1HE2  GLN  76          HE22      GLN  76 -15.125  10.444  10.444
  574   2HE2  GLN  76          HE21      GLN  76 -15.865   8.940   8.940
  575    H    TYR  77           HN       TYR  77 -12.135   4.495   4.495
  576    HA   TYR  77           HA       TYR  77 -10.963   5.645   5.645
  577   1HB   TYR  77           HB2      TYR  77 -10.205   3.539   3.539
  578   2HB   TYR  77           HB1      TYR  77  -9.285   3.751   3.751
  579    HD1  TYR  77           HD1      TYR  77 -10.611   5.652   5.652
  580    HD2  TYR  77           HD2      TYR  77  -7.626   5.409   5.409
  581    HE1  TYR  77           HE1      TYR  77  -9.407   7.568   7.568
  582    HE2  TYR  77           HE2      TYR  77  -6.422   7.325   7.325
  583    HH   TYR  77           HH       TYR  77  -6.394   8.293   8.293
  584    H    GLY  78           HN       GLY  78 -13.120   3.107   3.107
  585   1HA   GLY  78           HA1      GLY  78 -14.269   1.555   1.555
  586   2HA   GLY  78           HA2      GLY  78 -13.490   2.279   2.279
  587    H    VAL  79           HN       VAL  79 -12.289   0.549   0.549
  588    HA   VAL  79           HA       VAL  79 -10.040  -0.648  -0.648
  589    HB   VAL  79           HB       VAL  79 -10.260  -2.260  -2.260
  590   1HG1  VAL  79          HG23      VAL  79  -9.936   0.464   0.464
  591   2HG1  VAL  79          HG22      VAL  79 -11.253   0.192   0.192
  592   3HG1  VAL  79          HG21      VAL  79  -9.717  -0.650  -0.650
  593   1HG2  VAL  79          HG12      VAL  79 -12.853  -2.339  -2.339
  594   2HG2  VAL  79          HG11      VAL  79 -12.229  -2.510  -2.510
  595   3HG2  VAL  79          HG13      VAL  79 -12.882  -0.963  -0.963
  596    H    ARG  80           HN       ARG  80  -9.771  -2.976  -2.976
  597    HA   ARG  80           HA       ARG  80 -12.201  -4.027  -4.027
  598   1HB   ARG  80           HB1      ARG  80  -9.253  -4.087  -4.087
  599   2HB   ARG  80           HB2      ARG  80 -10.518  -4.894  -4.894
  600   1HG   ARG  80           HG2      ARG  80 -11.150  -2.092  -2.092
  601   2HG   ARG  80           HG1      ARG  80  -9.665  -2.278  -2.278
  602   1HD   ARG  80           HD2      ARG  80 -11.057  -2.456  -2.456
  603   2HD   ARG  80           HD1      ARG  80 -11.378  -4.098  -4.098
  604    HE   ARG  80           HE       ARG  80 -12.970  -1.835  -1.835
  605   1HH1  ARG  80          HH21      ARG  80 -13.104  -5.053  -5.053
  606   2HH1  ARG  80          HH22      ARG  80 -14.616  -5.233  -5.233
  607   1HH2  ARG  80          HH11      ARG  80 -14.754  -1.920  -1.920
  608   2HH2  ARG  80          HH12      ARG  80 -15.551  -3.458  -3.458
  609    H    GLY  81           HN       GLY  81 -12.006  -4.904  -4.904
  610   1HA   GLY  81           HA2      GLY  81 -12.192  -7.135  -7.135
  611   2HA   GLY  81           HA1      GLY  81 -11.073  -7.701  -7.701
  612    H    TYR  82           HN       TYR  82 -10.589  -8.432  -8.432
  613    HA   TYR  82           HA       TYR  82  -8.336  -6.632  -6.632
  614   1HB   TYR  82           HB2      TYR  82 -10.057  -8.569  -8.569
  615   2HB   TYR  82           HB1      TYR  82  -8.779  -7.564  -7.564
  616    HD1  TYR  82           HD1      TYR  82  -9.295  -5.056  -5.056
  617    HD2  TYR  82           HD2      TYR  82 -11.941  -7.676  -7.676
  618    HE1  TYR  82           HE1      TYR  82 -10.919  -3.202  -3.202
  619    HE2  TYR  82           HE2      TYR  82 -13.567  -5.820  -5.820
  620    HH   TYR  82           HH       TYR  82 -14.123  -3.696  -3.696
  621    HA   PRO  83           HA       PRO  83  -7.031  -6.947  -6.947
  622   1HB   PRO  83           HB1      PRO  83  -4.334  -7.091  -7.091
  623   2HB   PRO  83           HB2      PRO  83  -5.488  -8.081  -8.081
  624   1HG   PRO  83           HG1      PRO  83  -3.644  -8.844  -8.844
  625   2HG   PRO  83           HG2      PRO  83  -4.374  -9.838  -9.838
  626   1HD   PRO  83           HD2      PRO  83  -5.164  -9.633  -9.633
  627   2HD   PRO  83           HD1      PRO  83  -5.955 -10.557 -10.557
  628    H    THR  84           HN       THR  84  -6.722  -4.844  -4.844
  629    HA   THR  84           HA       THR  84  -5.252  -4.510  -4.510
  630    HB   THR  84           HB       THR  84  -6.825  -2.312  -2.312
  631    HG1  THR  84           HG1      THR  84  -8.620  -3.380  -3.380
  632   1HG2  THR  84          HG22      THR  84  -6.655  -3.510  -3.510
  633   2HG2  THR  84          HG21      THR  84  -7.616  -2.093  -2.093
  634   3HG2  THR  84          HG23      THR  84  -5.858  -2.038  -2.038
  635    H    ILE  85           HN       ILE  85  -3.085  -4.218  -4.218
  636    HA   ILE  85           HA       ILE  85  -2.420  -2.367  -2.367
  637    HB   ILE  85           HB       ILE  85  -0.754  -4.172  -4.172
  638   1HG1  ILE  85          HG12      ILE  85  -0.602  -5.335  -5.335
  639   2HG1  ILE  85          HG11      ILE  85  -2.143  -4.514  -4.514
  640   1HG2  ILE  85          HG23      ILE  85   0.200  -2.033  -2.033
  641   2HG2  ILE  85          HG22      ILE  85   0.224  -3.228  -3.228
  642   3HG2  ILE  85          HG21      ILE  85   1.119  -3.525  -3.525
  643   1HD1  ILE  85          HD13      ILE  85  -1.890  -5.881  -5.881
  644   2HD1  ILE  85          HD12      ILE  85  -1.880  -6.957  -6.957
  645   3HD1  ILE  85          HD11      ILE  85  -3.238  -5.864  -5.864
  646    H    LYS  86           HN       LYS  86  -1.671  -0.303  -0.303
  647    HA   LYS  86           HA       LYS  86  -0.723   0.369   0.369
  648   1HB   LYS  86           HB1      LYS  86  -2.664   1.994   1.994
  649   2HB   LYS  86           HB2      LYS  86  -2.148   2.345   2.345
  650   1HG   LYS  86           HG2      LYS  86  -3.094   0.030   0.030
  651   2HG   LYS  86           HG1      LYS  86  -3.886   0.070   0.070
  652   1HD   LYS  86           HD2      LYS  86  -4.149   2.344   2.344
  653   2HD   LYS  86           HD1      LYS  86  -5.241   0.959   0.959
  654   1HE   LYS  86           HE2      LYS  86  -5.508   1.464   1.464
  655   2HE   LYS  86           HE1      LYS  86  -4.933   3.079   3.079
  656   1HZ   LYS  86           HZ1      LYS  86  -6.602   3.024   3.024
  657   2HZ   LYS  86           HZ3      LYS  86  -7.221   1.584   1.584
  658   3HZ   LYS  86           HZ2      LYS  86  -7.301   3.023   3.023
  659    H    PHE  87           HN       PHE  87   0.410   2.536   2.536
  660    HA   PHE  87           HA       PHE  87   1.788   3.010   3.010
  661   1HB   PHE  87           HB2      PHE  87   3.259   1.941   1.941
  662   2HB   PHE  87           HB1      PHE  87   2.764   3.047   3.047
  663    HD1  PHE  87           HD1      PHE  87   4.025   3.323   3.323
  664    HD2  PHE  87           HD2      PHE  87   4.310   4.699   4.699
  665    HE1  PHE  87           HE1      PHE  87   5.825   4.897   4.897
  666    HE2  PHE  87           HE2      PHE  87   6.110   6.272   6.272
  667    HZ   PHE  87           HZ       PHE  87   6.867   6.371   6.371
  668    H    PHE  88           HN       PHE  88   1.602   5.093   5.093
  669    HA   PHE  88           HA       PHE  88   0.678   7.192   7.192
  670   1HB   PHE  88           HB1      PHE  88  -0.029   6.453   6.453
  671   2HB   PHE  88           HB2      PHE  88  -0.275   8.107   8.107
  672    HD1  PHE  88           HD1      PHE  88  -1.156   4.559   4.559
  673    HD2  PHE  88           HD2      PHE  88  -2.007   8.650   8.650
  674    HE1  PHE  88           HE1      PHE  88  -3.209   3.842   3.842
  675    HE2  PHE  88           HE2      PHE  88  -4.065   7.932   7.932
  676    HZ   PHE  88           HZ       PHE  88  -4.666   5.528   5.528
  677    H    ARG  89           HN       ARG  89   1.386   9.422   9.422
  678    HA   ARG  89           HA       ARG  89   4.076   9.406   9.406
  679   1HB   ARG  89           HB2      ARG  89   3.525   9.864   9.864
  680   2HB   ARG  89           HB1      ARG  89   3.283  11.495  11.495
  681   1HG   ARG  89           HG2      ARG  89   5.644  10.495  10.495
  682   2HG   ARG  89           HG1      ARG  89   5.758  10.116  10.116
  683   1HD   ARG  89           HD2      ARG  89   5.085  12.540  12.540
  684   2HD   ARG  89           HD1      ARG  89   5.361  12.839  12.839
  685    HE   ARG  89           HE       ARG  89   7.695  11.932  11.932
  686   1HH1  ARG  89          HH11      ARG  89   7.463  10.866  10.866
  687   2HH1  ARG  89          HH12      ARG  89   8.075  12.153  12.153
  688   1HH2  ARG  89          HH21      ARG  89   7.769  14.555  14.555
  689   2HH2  ARG  89          HH22      ARG  89   8.247  14.239  14.239
  690    H    ASN  90           HN       ASN  90   4.581  11.942  11.942
  691    HA   ASN  90           HA       ASN  90   2.974  12.778  12.778
  692   1HB   ASN  90           HB1      ASN  90   5.487  13.239  13.239
  693   2HB   ASN  90           HB2      ASN  90   4.686  14.761  14.761
  694   1HD2  ASN  90          HD22      ASN  90   5.068  15.866  15.866
  695   2HD2  ASN  90          HD21      ASN  90   5.079  16.232  16.232
  696    H    GLY  91           HN       GLY  91   1.004  12.618  12.618
  697   1HA   GLY  91           HA2      GLY  91   0.230  15.438  15.438
  698   2HA   GLY  91           HA1      GLY  91   0.300  14.456  14.456
  699    H    ASP  92           HN       ASP  92  -1.448  13.170  13.170
  700    HA   ASP  92           HA       ASP  92  -3.241  12.069  12.069
  701   1HB   ASP  92           HB2      ASP  92  -4.234  14.481  14.481
  702   2HB   ASP  92           HB1      ASP  92  -3.697  14.551  14.551
  703    H    THR  93           HN       THR  93  -3.495  13.524  13.524
  704    HA   THR  93           HA       THR  93  -3.954  10.834  10.834
  705    HB   THR  93           HB       THR  93  -6.078  11.895  11.895
  706    HG1  THR  93           HG1      THR  93  -6.985  13.507  13.507
  707   1HG2  THR  93          HG23      THR  93  -6.063  10.067  10.067
  708   2HG2  THR  93          HG22      THR  93  -6.075  11.289  11.289
  709   3HG2  THR  93          HG21      THR  93  -7.447  11.146  11.146
  710    H    ALA  94           HN       ALA  94  -1.856  11.539  11.539
  711    HA   ALA  94           HA       ALA  94  -2.260  13.540  13.540
  712   1HB   ALA  94           HB1      ALA  94  -0.087  12.904  12.904
  713   2HB   ALA  94           HB3      ALA  94   0.431  13.305  13.305
  714   3HB   ALA  94           HB2      ALA  94  -0.535  14.455  14.455
  715    H    SER  95           HN       SER  95   0.027  10.883  10.883
  716    HA   SER  95           HA       SER  95  -0.896   9.338   9.338
  717   1HB   SER  95           HB1      SER  95   0.656  11.428  11.428
  718   2HB   SER  95           HB2      SER  95   1.933  10.297  10.297
  719    HG   SER  95           HG       SER  95   0.305  10.330  10.330
  720    HA   PRO  96           HA       PRO  96   1.490   7.149   7.149
  721   1HB   PRO  96           HB2      PRO  96  -0.523   5.472   5.472
  722   2HB   PRO  96           HB1      PRO  96  -0.279   7.084   7.084
  723   1HG   PRO  96           HG2      PRO  96  -2.230   6.180   6.180
  724   2HG   PRO  96           HG1      PRO  96  -2.444   7.336   7.336
  725   1HD   PRO  96           HD1      PRO  96  -2.043   8.067   8.067
  726   2HD   PRO  96           HD2      PRO  96  -1.596   9.076   9.076
  727    H    LYS  97           HN       LYS  97   1.842   4.685   4.685
  728    HA   LYS  97           HA       LYS  97   1.450   3.526   3.526
  729   1HB   LYS  97           HB1      LYS  97   3.696   3.749   3.749
  730   2HB   LYS  97           HB2      LYS  97   3.531   2.166   2.166
  731   1HG   LYS  97           HG2      LYS  97   3.154   4.315   4.315
  732   2HG   LYS  97           HG1      LYS  97   4.725   4.427   4.427
  733   1HD   LYS  97           HD2      LYS  97   5.429   2.358   2.358
  734   2HD   LYS  97           HD1      LYS  97   3.783   1.750   1.750
  735   1HE   LYS  97           HE2      LYS  97   4.430   2.148   2.148
  736   2HE   LYS  97           HE1      LYS  97   3.569   3.643   3.643
  737   1HZ   LYS  97           HZ2      LYS  97   5.759   4.509   4.509
  738   2HZ   LYS  97           HZ1      LYS  97   6.496   3.163   3.163
  739   3HZ   LYS  97           HZ3      LYS  97   5.660   4.289   4.289
  740    H    GLU  98           HN       GLU  98   1.818   0.985   0.985
  741    HA   GLU  98           HA       GLU  98   0.017   0.057   0.057
  742   1HB   GLU  98           HB2      GLU  98   0.058  -0.290  -0.290
  743   2HB   GLU  98           HB1      GLU  98  -0.235  -1.776  -1.776
  744   1HG   GLU  98           HG2      GLU  98  -1.752   0.392   0.392
  745   2HG   GLU  98           HG1      GLU  98  -2.099   0.265   0.265
  746    H    TYR  99           HN       TYR  99   0.953  -1.438  -1.438
  747    HA   TYR  99           HA       TYR  99   3.641  -2.399  -2.399
  748   1HB   TYR  99           HB2      TYR  99   2.646  -2.074  -2.074
  749   2HB   TYR  99           HB1      TYR  99   1.341  -3.199  -3.199
  750    HD1  TYR  99           HD1      TYR  99   5.081  -3.029  -3.029
  751    HD2  TYR  99           HD2      TYR  99   1.558  -5.462  -5.462
  752    HE1  TYR  99           HE1      TYR  99   6.466  -4.908  -4.908
  753    HE2  TYR  99           HE2      TYR  99   2.945  -7.342  -7.342
  754    HH   TYR  99           HH       TYR  99   6.488  -7.093  -7.093
  755    H    THR 100           HN       THR 100   4.306  -4.156  -4.156
  756    HA   THR 100           HA       THR 100   2.424  -6.416  -6.416
  757    HB   THR 100           HB       THR 100   3.093  -6.223  -6.223
  758    HG1  THR 100           HG1      THR 100   3.513  -3.910  -3.910
  759   1HG2  THR 100          HG21      THR 100   0.868  -5.574  -5.574
  760   2HG2  THR 100          HG23      THR 100   1.457  -3.912  -3.912
  761   3HG2  THR 100          HG22      THR 100   1.237  -4.805  -4.805
  762    H    ALA 101           HN       ALA 101   4.022  -7.520  -7.520
  763    HA   ALA 101           HA       ALA 101   6.520  -8.234  -8.234
  764   1HB   ALA 101           HB1      ALA 101   6.041  -7.554  -7.554
  765   2HB   ALA 101           HB3      ALA 101   7.481  -8.428  -8.428
  766   3HB   ALA 101           HB2      ALA 101   7.173  -6.798  -6.798
  767    H    GLY 102           HN       GLY 102   5.460  -9.499  -9.499
  768   1HA   GLY 102           HA2      GLY 102   4.603 -12.025 -12.025
  769   2HA   GLY 102           HA1      GLY 102   5.849 -12.094 -12.094
  770    H    ARG 103           HN       ARG 103   5.187 -12.216 -12.216
  771    HA   ARG 103           HA       ARG 103   2.682 -11.078 -11.078
  772   1HB   ARG 103           HB1      ARG 103   1.614 -13.296 -13.296
  773   2HB   ARG 103           HB2      ARG 103   1.841 -12.993 -12.993
  774   1HG   ARG 103           HG2      ARG 103   4.016 -14.274 -14.274
  775   2HG   ARG 103           HG1      ARG 103   3.563 -14.720 -14.720
  776   1HD   ARG 103           HD2      ARG 103   1.322 -15.527 -15.527
  777   2HD   ARG 103           HD1      ARG 103   2.295 -15.560 -15.560
  778    HE   ARG 103           HE       ARG 103   2.560 -17.416 -17.416
  779   1HH1  ARG 103          HH21      ARG 103   5.091 -17.016 -17.016
  780   2HH1  ARG 103          HH22      ARG 103   6.102 -17.454 -17.454
  781   1HH2  ARG 103          HH11      ARG 103   3.528 -17.361 -17.361
  782   2HH2  ARG 103          HH12      ARG 103   5.218 -17.650 -17.650
  783    H    GLU 104           HN       GLU 104   5.554 -11.186 -11.186
  784    HA   GLU 104           HA       GLU 104   5.258 -12.286 -12.286
  785   1HB   GLU 104           HB2      GLU 104   7.726 -12.343 -12.343
  786   2HB   GLU 104           HB1      GLU 104   7.545 -13.093 -13.093
  787   1HG   GLU 104           HG2      GLU 104   5.470 -14.265 -14.265
  788   2HG   GLU 104           HG1      GLU 104   6.479 -13.963 -13.963
  789    H    ALA 105           HN       ALA 105   6.636 -11.180 -11.180
  790    HA   ALA 105           HA       ALA 105   6.675  -8.363  -8.363
  791   1HB   ALA 105           HB3      ALA 105   7.133 -10.200 -10.200
  792   2HB   ALA 105           HB2      ALA 105   8.816  -9.888  -9.888
  793   3HB   ALA 105           HB1      ALA 105   7.797  -8.574  -8.574
  794    H    ASP 106           HN       ASP 106   9.226 -10.688 -10.688
  795    HA   ASP 106           HA       ASP 106  11.297  -8.829  -8.829
  796   1HB   ASP 106           HB2      ASP 106  11.164 -11.457 -11.457
  797   2HB   ASP 106           HB1      ASP 106  10.815 -11.326 -11.326
  798    H    ASP 107           HN       ASP 107   8.661 -10.096 -10.096
  799    HA   ASP 107           HA       ASP 107   9.475  -8.804  -8.804
  800   1HB   ASP 107           HB2      ASP 107   6.998 -10.009 -10.009
  801   2HB   ASP 107           HB1      ASP 107   6.823  -9.022  -9.022
  802    H    ILE 108           HN       ILE 108   7.764  -7.666  -7.666
  803    HA   ILE 108           HA       ILE 108   6.631  -5.271  -5.271
  804    HB   ILE 108           HB       ILE 108   7.432  -5.961  -5.961
  805   1HG1  ILE 108          HG12      ILE 108   5.913  -7.620  -7.620
  806   2HG1  ILE 108          HG11      ILE 108   5.133  -6.756  -6.756
  807   1HG2  ILE 108          HG23      ILE 108   6.297  -3.595  -3.595
  808   2HG2  ILE 108          HG22      ILE 108   5.112  -4.340  -4.340
  809   3HG2  ILE 108          HG21      ILE 108   6.702  -3.893  -3.893
  810   1HD1  ILE 108          HD13      ILE 108   4.753  -5.264  -5.264
  811   2HD1  ILE 108          HD12      ILE 108   4.285  -6.939  -6.939
  812   3HD1  ILE 108          HD11      ILE 108   3.534  -6.029  -6.029
  813    H    VAL 109           HN       VAL 109   9.576  -5.854  -5.854
  814    HA   VAL 109           HA       VAL 109  10.494  -3.133  -3.133
  815    HB   VAL 109           HB       VAL 109  11.988  -5.757  -5.757
  816   1HG1  VAL 109          HG23      VAL 109  12.939  -3.102  -3.102
  817   2HG1  VAL 109          HG22      VAL 109  12.961  -3.538  -3.538
  818   3HG1  VAL 109          HG21      VAL 109  13.830  -4.527  -4.527
  819   1HG2  VAL 109          HG13      VAL 109  10.264  -4.115  -4.115
  820   2HG2  VAL 109          HG12      VAL 109  10.426  -5.867  -5.867
  821   3HG2  VAL 109          HG11      VAL 109  11.676  -4.913  -4.913
  822    H    ASN 110           HN       ASN 110  11.535  -5.972  -5.972
  823    HA   ASN 110           HA       ASN 110  13.468  -4.734  -4.734
  824   1HB   ASN 110           HB1      ASN 110  11.535  -6.997  -6.997
  825   2HB   ASN 110           HB2      ASN 110  12.412  -6.498  -6.498
  826   1HD2  ASN 110          HD22      ASN 110  14.453  -8.246  -8.246
  827   2HD2  ASN 110          HD21      ASN 110  12.871  -7.680  -7.680
  828    H    TRP 111           HN       TRP 111   9.946  -4.844  -4.844
  829    HA   TRP 111           HA       TRP 111   9.995  -3.413  -3.413
  830   1HB   TRP 111           HB1      TRP 111   8.198  -4.930  -4.930
  831   2HB   TRP 111           HB2      TRP 111   7.736  -3.520  -3.520
  832    HD1  TRP 111           HD1      TRP 111   7.465  -5.018  -5.018
  833    HE1  TRP 111           HE1      TRP 111   6.087  -3.460  -3.460
  834    HE3  TRP 111           HE3      TRP 111   7.193  -0.881  -0.881
  835    HZ2  TRP 111           HZ2      TRP 111   5.013  -0.809  -0.809
  836    HZ3  TRP 111           HZ3      TRP 111   5.989   1.145   1.145
  837    HH2  TRP 111           HH2      TRP 111   4.900   1.186   1.186
  838    H    LEU 112           HN       LEU 112   9.869  -2.435  -2.435
  839    HA   LEU 112           HA       LEU 112   9.203   0.358   0.358
  840   1HB   LEU 112           HB2      LEU 112   9.926  -1.301  -1.301
  841   2HB   LEU 112           HB1      LEU 112   9.880   0.458   0.458
  842    HG   LEU 112           HG       LEU 112   7.574  -1.016  -1.016
  843   1HD1  LEU 112          HD12      LEU 112   8.337  -1.845  -1.845
  844   2HD1  LEU 112          HD11      LEU 112   7.524  -0.364  -0.364
  845   3HD1  LEU 112          HD13      LEU 112   6.632  -1.600  -1.600
  846   1HD2  LEU 112          HD23      LEU 112   8.209   1.682   1.682
  847   2HD2  LEU 112          HD22      LEU 112   6.994   1.169   1.169
  848   3HD2  LEU 112          HD21      LEU 112   6.647   1.080   1.080
  849    H    LYS 113           HN       LYS 113  12.122  -1.516  -1.516
  850    HA   LYS 113           HA       LYS 113  13.776   0.955   0.955
  851   1HB   LYS 113           HB2      LYS 113  13.869  -1.678  -1.678
  852   2HB   LYS 113           HB1      LYS 113  15.395  -1.268  -1.268
  853   1HG   LYS 113           HG2      LYS 113  15.796   0.516   0.516
  854   2HG   LYS 113           HG1      LYS 113  14.082   0.870   0.870
  855   1HD   LYS 113           HD2      LYS 113  13.990  -1.378  -1.378
  856   2HD   LYS 113           HD1      LYS 113  15.746  -1.230  -1.230
  857   1HE   LYS 113           HE2      LYS 113  15.330   1.152   1.152
  858   2HE   LYS 113           HE1      LYS 113  13.657   0.619   0.619
  859   1HZ   LYS 113           HZ3      LYS 113  16.000  -0.954  -0.954
  860   2HZ   LYS 113           HZ2      LYS 113  15.231   0.190   0.190
  861   3HZ   LYS 113           HZ1      LYS 113  14.373  -1.166  -1.166
  862    H    LYS 114           HN       LYS 114  12.472  -0.314  -0.314
  863    HA   LYS 114           HA       LYS 114  14.721  -1.498  -1.498
  864   1HB   LYS 114           HB2      LYS 114  12.002  -1.805  -1.805
  865   2HB   LYS 114           HB1      LYS 114  12.207  -0.709  -0.709
  866   1HG   LYS 114           HG2      LYS 114  13.814  -2.239  -2.239
  867   2HG   LYS 114           HG1      LYS 114  13.713  -3.317  -3.317
  868   1HD   LYS 114           HD2      LYS 114  11.088  -3.136  -3.136
  869   2HD   LYS 114           HD1      LYS 114  11.777  -2.903  -2.903
  870   1HE   LYS 114           HE2      LYS 114  11.822  -5.196  -5.196
  871   2HE   LYS 114           HE1      LYS 114  13.283  -5.006  -5.006
  872   1HZ   LYS 114           HZ2      LYS 114  10.565  -5.002  -5.002
  873   2HZ   LYS 114           HZ1      LYS 114  11.455  -6.436  -6.436
  874   3HZ   LYS 114           HZ3      LYS 114  12.054  -5.202  -5.202
  875    H    ARG 115           HN       ARG 115  13.073   1.587   1.587
  876    HA   ARG 115           HA       ARG 115  14.536   2.696   2.696
  877   1HB   ARG 115           HB2      ARG 115  12.243   3.609   3.609
  878   2HB   ARG 115           HB1      ARG 115  12.978   4.658   4.658
  879   1HG   ARG 115           HG2      ARG 115  12.320   3.251   3.251
  880   2HG   ARG 115           HG1      ARG 115  11.990   1.896   1.896
  881   1HD   ARG 115           HD2      ARG 115   9.868   2.609   2.609
  882   2HD   ARG 115           HD1      ARG 115  10.413   4.269   4.269
  883    HE   ARG 115           HE       ARG 115  10.333   3.265   3.265
  884   1HH1  ARG 115          HH21      ARG 115  10.969   5.987   5.987
  885   2HH1  ARG 115          HH22      ARG 115   9.457   6.832   6.832
  886   1HH2  ARG 115          HH11      ARG 115   7.652   4.094   4.094
  887   2HH2  ARG 115          HH12      ARG 115   7.579   5.761   5.761
  888    H    THR 116           HN       THR 116  14.377   2.846   2.846
  889    HA   THR 116           HA       THR 116  16.058   5.251   5.251
  890    HB   THR 116           HB       THR 116  15.925   4.592   4.592
  891    HG1  THR 116           HG1      THR 116  15.320   2.634   2.634
  892   1HG2  THR 116          HG22      THR 116  13.494   4.983   4.983
  893   2HG2  THR 116          HG21      THR 116  13.348   4.870   4.870
  894   3HG2  THR 116          HG23      THR 116  14.312   6.157   6.157
  895    H    GLY 117           HN       GLY 117  16.509   1.776   1.776
  896   1HA   GLY 117           HA1      GLY 117  19.422   2.162   2.162
  897   2HA   GLY 117           HA2      GLY 117  18.825   1.232   1.232
  898    HA   PRO 118           HA       PRO 118  19.207  -1.403  -1.403
  899   1HB   PRO 118           HB1      PRO 118  21.489  -2.782  -2.782
  900   2HB   PRO 118           HB2      PRO 118  21.496  -1.269  -1.269
  901   1HG   PRO 118           HG2      PRO 118  22.108  -1.741  -1.741
  902   2HG   PRO 118           HG1      PRO 118  22.870  -0.631  -0.631
  903   1HD   PRO 118           HD2      PRO 118  21.051   0.143   0.143
  904   2HD   PRO 118           HD1      PRO 118  21.320   1.008   1.008
  905    H    ALA 119           HN       ALA 119  17.385  -1.936  -1.936
  906    HA   ALA 119           HA       ALA 119  16.319  -3.625  -3.625
  907   1HB   ALA 119           HB1      ALA 119  17.827  -4.721  -4.721
  908   2HB   ALA 119           HB3      ALA 119  17.932  -5.839  -5.839
  909   3HB   ALA 119           HB2      ALA 119  16.355  -5.360  -5.360
  910    H    ALA 120           HN       ALA 120  18.877  -2.305  -2.305
  911    HA   ALA 120           HA       ALA 120  19.373  -4.309  -4.309
  912   1HB   ALA 120           HB1      ALA 120  21.099  -4.383  -4.383
  913   2HB   ALA 120           HB3      ALA 120  21.551  -2.742  -2.742
  914   3HB   ALA 120           HB2      ALA 120  21.755  -4.070  -4.070

  Start of MODEL   13
    1   1H    ASP   1           HT1      ASP   1 -12.014  -6.353  -6.353
    2   2H    ASP   1           HT3      ASP   1 -12.954  -6.368  -6.368
    3   3H    ASP   1           HT2      ASP   1 -11.342  -6.903  -6.903
    4    HA   ASP   1           HA       ASP   1 -11.219  -4.765  -4.765
    5   1HB   ASP   1           HB1      ASP   1 -12.520  -2.920  -2.920
    6   2HB   ASP   1           HB2      ASP   1 -13.550  -4.241  -4.241
    7    H    ALA   2           HN       ALA   2  -9.828  -2.963  -2.963
    8    HA   ALA   2           HA       ALA   2  -8.858  -2.996  -2.996
    9   1HB   ALA   2           HB1      ALA   2  -7.508  -4.360  -4.360
   10   2HB   ALA   2           HB3      ALA   2  -6.471  -3.446  -3.446
   11   3HB   ALA   2           HB2      ALA   2  -7.476  -4.751  -4.751
   12    HA   PRO   3           HA       PRO   3  -8.372   1.072   1.072
   13   1HB   PRO   3           HB2      PRO   3  -8.798   2.521   2.521
   14   2HB   PRO   3           HB1      PRO   3 -10.119   1.897   1.897
   15   1HG   PRO   3           HG2      PRO   3  -9.026   0.859   0.859
   16   2HG   PRO   3           HG1      PRO   3 -10.696   0.890   0.890
   17   1HD   PRO   3           HD2      PRO   3  -9.088  -1.335  -1.335
   18   2HD   PRO   3           HD1      PRO   3 -10.478  -1.089  -1.089
   19    H    GLU   4           HN       GLU   4  -6.845   2.947   2.947
   20    HA   GLU   4           HA       GLU   4  -4.658   3.622   3.622
   21   1HB   GLU   4           HB2      GLU   4  -5.954   2.448   2.448
   22   2HB   GLU   4           HB1      GLU   4  -4.326   1.769   1.769
   23   1HG   GLU   4           HG1      GLU   4  -3.322   3.823   3.823
   24   2HG   GLU   4           HG2      GLU   4  -4.611   4.706   4.706
   25    H    GLU   5           HN       GLU   5  -2.374   2.714   2.714
   26    HA   GLU   5           HA       GLU   5  -1.989   0.477   0.477
   27   1HB   GLU   5           HB1      GLU   5   0.378   1.138   1.138
   28   2HB   GLU   5           HB2      GLU   5  -0.636   2.552   2.552
   29   1HG   GLU   5           HG1      GLU   5   0.951   2.980   2.980
   30   2HG   GLU   5           HG2      GLU   5  -0.707   2.977   2.977
   31    H    GLU   6           HN       GLU   6  -0.819  -1.464  -1.464
   32    HA   GLU   6           HA       GLU   6  -0.911  -2.154  -2.154
   33   1HB   GLU   6           HB2      GLU   6  -1.706  -3.496  -3.496
   34   2HB   GLU   6           HB1      GLU   6  -0.945  -4.533  -4.533
   35   1HG   GLU   6           HG2      GLU   6  -2.798  -2.834  -2.834
   36   2HG   GLU   6           HG1      GLU   6  -3.628  -3.534  -3.534
   37    H    ASP   7           HN       ASP   7   0.609  -3.939  -3.939
   38    HA   ASP   7           HA       ASP   7   3.202  -3.818  -3.818
   39   1HB   ASP   7           HB2      ASP   7   3.595  -5.689  -5.689
   40   2HB   ASP   7           HB1      ASP   7   1.833  -5.663  -5.663
   41    H    HIS   8           HN       HIS   8   3.633  -1.588  -1.588
   42    HA   HIS   8           HA       HIS   8   4.599  -0.095  -0.095
   43   1HB   HIS   8           HB2      HIS   8   5.700  -2.804  -2.804
   44   2HB   HIS   8           HB1      HIS   8   5.927  -1.723  -1.723
   45    HD1  HIS   8           HD1      HIS   8   6.265  -1.444  -1.444
   46    HD2  HIS   8           HD2      HIS   8   8.193  -0.188  -0.188
   47    HE1  HIS   8           HE1      HIS   8   8.285  -0.111  -0.111
   48    H    VAL   9           HN       VAL   9   1.912  -1.429  -1.429
   49    HA   VAL   9           HA       VAL   9   1.790  -0.771  -0.771
   50    HB   VAL   9           HB       VAL   9   0.558  -3.055  -3.055
   51   1HG1  VAL   9          HG13      VAL   9  -1.067  -2.047  -2.047
   52   2HG1  VAL   9          HG12      VAL   9   0.096  -2.332  -2.332
   53   3HG1  VAL   9          HG11      VAL   9  -0.608  -3.696  -3.696
   54   1HG2  VAL   9          HG21      VAL   9   2.896  -2.745  -2.745
   55   2HG2  VAL   9          HG23      VAL   9   2.398  -4.138  -4.138
   56   3HG2  VAL   9          HG22      VAL   9   1.793  -3.938  -3.938
   57    H    LEU  10           HN       LEU  10   0.366   0.942   0.942
   58    HA   LEU  10           HA       LEU  10  -1.630   1.399   1.399
   59   1HB   LEU  10           HB2      LEU  10  -1.514   3.724   3.724
   60   2HB   LEU  10           HB1      LEU  10   0.123   3.107   3.107
   61    HG   LEU  10           HG       LEU  10  -0.450   2.476   2.476
   62   1HD1  LEU  10          HD23      LEU  10  -2.500   3.949   3.949
   63   2HD1  LEU  10          HD22      LEU  10  -1.399   5.305   5.305
   64   3HD1  LEU  10          HD21      LEU  10  -1.404   4.434   4.434
   65   1HD2  LEU  10          HD13      LEU  10   1.090   4.599   4.599
   66   2HD2  LEU  10          HD12      LEU  10   1.677   3.283   3.283
   67   3HD2  LEU  10          HD11      LEU  10   0.951   4.710   4.710
   68    H    VAL  11           HN       VAL  11  -3.801   1.566   1.566
   69    HA   VAL  11           HA       VAL  11  -4.639   0.745   0.745
   70    HB   VAL  11           HB       VAL  11  -6.254   1.125   1.125
   71   1HG1  VAL  11          HG11      VAL  11  -6.791   0.135   0.135
   72   2HG1  VAL  11          HG13      VAL  11  -7.429  -0.874  -0.874
   73   3HG1  VAL  11          HG12      VAL  11  -7.902   0.821   0.821
   74   1HG2  VAL  11          HG21      VAL  11  -4.608  -1.193  -1.193
   75   2HG2  VAL  11          HG23      VAL  11  -4.683  -0.507  -0.507
   76   3HG2  VAL  11          HG22      VAL  11  -6.027  -1.470  -1.470
   77    H    LEU  12           HN       LEU  12  -6.040   2.080   2.080
   78    HA   LEU  12           HA       LEU  12  -6.175   4.932   4.932
   79   1HB   LEU  12           HB2      LEU  12  -6.200   3.630   3.630
   80   2HB   LEU  12           HB1      LEU  12  -6.291   5.367   5.367
   81    HG   LEU  12           HG       LEU  12  -4.026   3.570   3.570
   82   1HD1  LEU  12          HD22      LEU  12  -4.159   3.918   3.918
   83   2HD1  LEU  12          HD21      LEU  12  -4.069   5.657   5.657
   84   3HD1  LEU  12          HD23      LEU  12  -2.713   4.621   4.621
   85   1HD2  LEU  12          HD13      LEU  12  -4.680   6.482   6.482
   86   2HD2  LEU  12          HD12      LEU  12  -4.022   5.352   5.352
   87   3HD2  LEU  12          HD11      LEU  12  -2.992   5.983   5.983
   88    H    ARG  13           HN       ARG  13  -8.119   6.125   6.125
   89    HA   ARG  13           HA       ARG  13 -10.502   4.433   4.433
   90   1HB   ARG  13           HB1      ARG  13 -11.683   5.261   5.261
   91   2HB   ARG  13           HB2      ARG  13 -10.091   4.782   4.782
   92   1HG   ARG  13           HG2      ARG  13  -9.623   6.873   6.873
   93   2HG   ARG  13           HG1      ARG  13 -10.098   7.562   7.562
   94   1HD   ARG  13           HD2      ARG  13 -12.339   7.840   7.840
   95   2HD   ARG  13           HD1      ARG  13 -12.200   6.628   6.628
   96    HE   ARG  13           HE       ARG  13 -10.486   9.047   9.047
   97   1HH1  ARG  13          HH21      ARG  13 -10.824   7.325   7.325
   98   2HH1  ARG  13          HH22      ARG  13 -12.071   8.122   8.122
   99   1HH2  ARG  13          HH11      ARG  13 -13.143  10.044  10.044
  100   2HH2  ARG  13          HH12      ARG  13 -13.385   9.661   9.661
  101    H    LYS  14           HN       LYS  14 -12.293   6.735   6.735
  102    HA   LYS  14           HA       LYS  14 -12.165   7.953   7.953
  103   1HB   LYS  14           HB1      LYS  14 -13.959   7.648   7.648
  104   2HB   LYS  14           HB2      LYS  14 -13.828   9.378   9.378
  105   1HG   LYS  14           HG2      LYS  14 -14.067   7.639   7.639
  106   2HG   LYS  14           HG1      LYS  14 -15.502   7.749   7.749
  107   1HD   LYS  14           HD2      LYS  14 -14.031  10.262  10.262
  108   2HD   LYS  14           HD1      LYS  14 -15.112   9.521   9.521
  109   1HE   LYS  14           HE2      LYS  14 -16.880   9.485   9.485
  110   2HE   LYS  14           HE1      LYS  14 -15.802  10.588  10.588
  111   1HZ   LYS  14           HZ2      LYS  14 -15.710  11.924  11.924
  112   2HZ   LYS  14           HZ1      LYS  14 -16.994  10.977  10.977
  113   3HZ   LYS  14           HZ3      LYS  14 -17.213  11.942  11.942
  114    H    SER  15           HN       SER  15 -11.514   9.217   9.217
  115    HA   SER  15           HA       SER  15 -10.402  11.705  11.705
  116   1HB   SER  15           HB1      SER  15 -12.285  11.609  11.609
  117   2HB   SER  15           HB2      SER  15 -10.999  11.195  11.195
  118    HG   SER  15           HG       SER  15 -11.051  13.355  13.355
  119    H    ASN  16           HN       ASN  16  -9.142   8.859   8.859
  120    HA   ASN  16           HA       ASN  16  -6.725   9.938   9.938
  121   1HB   ASN  16           HB2      ASN  16  -7.959   8.332   8.332
  122   2HB   ASN  16           HB1      ASN  16  -8.052   7.215   7.215
  123   1HD2  ASN  16          HD22      ASN  16  -5.296   5.742   5.742
  124   2HD2  ASN  16          HD21      ASN  16  -6.986   5.709   5.709
  125    H    PHE  17           HN       PHE  17  -7.970   8.378   8.378
  126    HA   PHE  17           HA       PHE  17  -5.621   7.024   7.024
  127   1HB   PHE  17           HB2      PHE  17  -7.954   6.780   6.780
  128   2HB   PHE  17           HB1      PHE  17  -7.838   8.396   8.396
  129    HD1  PHE  17           HD2      PHE  17  -5.852   8.841   8.841
  130    HD2  PHE  17           HD1      PHE  17  -7.215   4.915   4.915
  131    HE1  PHE  17           HE2      PHE  17  -4.739   7.899   7.899
  132    HE2  PHE  17           HE1      PHE  17  -6.103   3.974   3.974
  133    HZ   PHE  17           HZ       PHE  17  -4.865   5.465   5.465
  134    H    ALA  18           HN       ALA  18  -6.926  10.110  10.110
  135    HA   ALA  18           HA       ALA  18  -4.536  10.912  10.912
  136   1HB   ALA  18           HB2      ALA  18  -6.802  11.808  11.808
  137   2HB   ALA  18           HB1      ALA  18  -6.801  12.540  12.540
  138   3HB   ALA  18           HB3      ALA  18  -5.677  13.114  13.114
  139    H    GLU  19           HN       GLU  19  -5.643  11.391  11.391
  140    HA   GLU  19           HA       GLU  19  -3.847  13.401  13.401
  141   1HB   GLU  19           HB2      GLU  19  -5.815  12.297  12.297
  142   2HB   GLU  19           HB1      GLU  19  -4.736  10.956  10.956
  143   1HG   GLU  19           HG2      GLU  19  -3.464  12.201  12.201
  144   2HG   GLU  19           HG1      GLU  19  -3.805  13.723  13.723
  145    H    ALA  20           HN       ALA  20  -3.446   9.854   9.854
  146    HA   ALA  20           HA       ALA  20  -0.846   9.753   9.753
  147   1HB   ALA  20           HB2      ALA  20  -2.719   7.984   7.984
  148   2HB   ALA  20           HB1      ALA  20  -1.634   7.843   7.843
  149   3HB   ALA  20           HB3      ALA  20  -1.035   7.512   7.512
  150    H    LEU  21           HN       LEU  21  -1.905  10.436  10.436
  151    HA   LEU  21           HA       LEU  21   0.689  10.125  10.125
  152   1HB   LEU  21           HB1      LEU  21  -1.603  11.877  11.877
  153   2HB   LEU  21           HB2      LEU  21  -0.415  11.050  11.050
  154    HG   LEU  21           HG       LEU  21  -2.714   9.836   9.836
  155   1HD1  LEU  21          HD12      LEU  21  -2.386  10.682  10.682
  156   2HD1  LEU  21          HD11      LEU  21  -2.192   8.929   8.929
  157   3HD1  LEU  21          HD13      LEU  21  -3.661   9.627   9.627
  158   1HD2  LEU  21          HD22      LEU  21  -0.128   8.624   8.624
  159   2HD2  LEU  21          HD21      LEU  21  -1.233   8.149   8.149
  160   3HD2  LEU  21          HD23      LEU  21  -1.576   7.692   7.692
  161    H    ALA  22           HN       ALA  22  -1.190  13.019  13.019
  162    HA   ALA  22           HA       ALA  22   0.692  15.007  15.007
  163   1HB   ALA  22           HB2      ALA  22  -1.383  14.699  14.699
  164   2HB   ALA  22           HB1      ALA  22  -0.484  16.201  16.201
  165   3HB   ALA  22           HB3      ALA  22  -1.517  15.598  15.598
  166    H    ALA  23           HN       ALA  23   0.533  12.903  12.903
  167    HA   ALA  23           HA       ALA  23   2.469  14.208  14.208
  168   1HB   ALA  23           HB2      ALA  23   1.456  11.398  11.398
  169   2HB   ALA  23           HB1      ALA  23   2.772  11.711  11.711
  170   3HB   ALA  23           HB3      ALA  23   1.209  12.496  12.496
  171    H    HIS  24           HN       HIS  24   3.253  11.080  11.080
  172    HA   HIS  24           HA       HIS  24   6.023  12.036  12.036
  173   1HB   HIS  24           HB2      HIS  24   4.651   9.332   9.332
  174   2HB   HIS  24           HB1      HIS  24   6.380   9.583   9.583
  175    HD1  HIS  24           HD1      HIS  24   5.511  11.961  11.961
  176    HD2  HIS  24           HD2      HIS  24   6.048   7.828   7.828
  177    HE1  HIS  24           HE1      HIS  24   5.925  11.346  11.346
  178    H    LYS  25           HN       LYS  25   6.691  10.346  10.346
  179    HA   LYS  25           HA       LYS  25   5.189  11.658  11.658
  180   1HB   LYS  25           HB1      LYS  25   7.994  10.564  10.564
  181   2HB   LYS  25           HB2      LYS  25   7.347  11.075  11.075
  182   1HG   LYS  25           HG2      LYS  25   7.585  12.809  12.809
  183   2HG   LYS  25           HG1      LYS  25   8.610  12.906  12.906
  184   1HD   LYS  25           HD2      LYS  25   7.124  14.352  14.352
  185   2HD   LYS  25           HD1      LYS  25   5.965  13.024  13.024
  186   1HE   LYS  25           HE2      LYS  25   4.757  14.474  14.474
  187   2HE   LYS  25           HE1      LYS  25   5.699  13.655  13.655
  188   1HZ   LYS  25           HZ1      LYS  25   6.783  15.986  15.986
  189   2HZ   LYS  25           HZ3      LYS  25   5.813  16.194  16.194
  190   3HZ   LYS  25           HZ2      LYS  25   7.280  15.345  15.345
  191    H    TYR  26           HN       TYR  26   6.990   8.614   8.614
  192    HA   TYR  26           HA       TYR  26   5.388   7.213   7.213
  193   1HB   TYR  26           HB2      TYR  26   7.479   6.185   6.185
  194   2HB   TYR  26           HB1      TYR  26   6.954   5.403   5.403
  195    HD1  TYR  26           HD2      TYR  26   6.804   7.674   7.674
  196    HD2  TYR  26           HD1      TYR  26   9.745   6.749   6.749
  197    HE1  TYR  26           HE2      TYR  26   8.506   8.943   8.943
  198    HE2  TYR  26           HE1      TYR  26  11.449   8.018   8.018
  199    HH   TYR  26           HH       TYR  26  10.902   9.079   9.079
  200    H    LEU  27           HN       LEU  27   3.293   6.818   6.818
  201    HA   LEU  27           HA       LEU  27   3.010   5.487   5.487
  202   1HB   LEU  27           HB1      LEU  27   1.400   7.468   7.468
  203   2HB   LEU  27           HB2      LEU  27   0.547   6.381   6.381
  204    HG   LEU  27           HG       LEU  27   1.119   8.465   8.465
  205   1HD1  LEU  27          HD11      LEU  27   1.319   6.104   6.104
  206   2HD1  LEU  27          HD13      LEU  27   3.057   6.404   6.404
  207   3HD1  LEU  27          HD12      LEU  27   2.002   7.486   7.486
  208   1HD2  LEU  27          HD22      LEU  27   3.275   8.608   8.608
  209   2HD2  LEU  27          HD21      LEU  27   3.227   9.409   9.409
  210   3HD2  LEU  27          HD23      LEU  27   4.039   7.853   7.853
  211    H    LEU  28           HN       LEU  28   2.771   3.305   3.305
  212    HA   LEU  28           HA       LEU  28   1.590   2.312   2.312
  213   1HB   LEU  28           HB2      LEU  28   3.485   1.462   1.462
  214   2HB   LEU  28           HB1      LEU  28   2.110   0.403   0.403
  215    HG   LEU  28           HG       LEU  28   3.614  -0.540  -0.540
  216   1HD1  LEU  28          HD23      LEU  28   0.827  -0.214  -0.214
  217   2HD1  LEU  28          HD22      LEU  28   1.399   0.106   0.106
  218   3HD1  LEU  28          HD21      LEU  28   1.784  -1.425  -1.425
  219   1HD2  LEU  28          HD12      LEU  28   4.033   1.999   1.999
  220   2HD2  LEU  28          HD11      LEU  28   4.282   0.621   0.621
  221   3HD2  LEU  28          HD13      LEU  28   2.783   1.548   1.548
  222    H    VAL  29           HN       VAL  29  -0.445   1.373   1.373
  223    HA   VAL  29           HA       VAL  29  -2.066   0.975   0.975
  224    HB   VAL  29           HB       VAL  29  -2.882   2.677   2.677
  225   1HG1  VAL  29          HG21      VAL  29  -4.238   1.961   1.961
  226   2HG1  VAL  29          HG23      VAL  29  -4.771   3.287   3.287
  227   3HG1  VAL  29          HG22      VAL  29  -4.816   1.630   1.630
  228   1HG2  VAL  29          HG11      VAL  29  -1.982   3.393   3.393
  229   2HG2  VAL  29          HG13      VAL  29  -1.225   3.873   3.873
  230   3HG2  VAL  29          HG12      VAL  29  -2.801   4.526   4.526
  231    H    GLU  30           HN       GLU  30  -3.288  -0.875  -0.875
  232    HA   GLU  30           HA       GLU  30  -3.749  -1.935  -1.935
  233   1HB   GLU  30           HB2      GLU  30  -1.959  -3.146  -3.146
  234   2HB   GLU  30           HB1      GLU  30  -2.956  -3.355  -3.355
  235   1HG   GLU  30           HG1      GLU  30  -4.572  -4.684  -4.684
  236   2HG   GLU  30           HG2      GLU  30  -3.532  -4.505  -4.505
  237    H    PHE  31           HN       PHE  31  -5.851  -2.583  -2.583
  238    HA   PHE  31           HA       PHE  31  -7.841  -2.235  -2.235
  239   1HB   PHE  31           HB1      PHE  31  -8.052  -2.617  -2.617
  240   2HB   PHE  31           HB2      PHE  31  -9.401  -2.245  -2.245
  241    HD1  PHE  31           HD2      PHE  31  -6.321  -0.951  -0.951
  242    HD2  PHE  31           HD1      PHE  31  -9.631  -0.048  -0.048
  243    HE1  PHE  31           HE2      PHE  31  -5.780   1.464   1.464
  244    HE2  PHE  31           HE1      PHE  31  -9.089   2.367   2.367
  245    HZ   PHE  31           HZ       PHE  31  -7.151   3.121   3.121
  246    H    TYR  32           HN       TYR  32  -8.550  -4.050  -4.050
  247    HA   TYR  32           HA       TYR  32  -8.803  -6.588  -6.588
  248   1HB   TYR  32           HB2      TYR  32  -7.568  -7.797  -7.797
  249   2HB   TYR  32           HB1      TYR  32  -6.610  -6.367  -6.367
  250    HD1  TYR  32           HD1      TYR  32  -8.960  -7.853  -7.853
  251    HD2  TYR  32           HD2      TYR  32  -6.194  -4.675  -4.675
  252    HE1  TYR  32           HE1      TYR  32  -9.015  -7.167  -7.167
  253    HE2  TYR  32           HE2      TYR  32  -6.252  -3.992  -3.992
  254    HH   TYR  32           HH       TYR  32  -8.078  -4.286  -4.286
  255    H    ALA  33           HN       ALA  33 -10.199  -8.206  -8.206
  256    HA   ALA  33           HA       ALA  33 -12.187  -6.765  -6.765
  257   1HB   ALA  33           HB3      ALA  33 -12.423  -8.099  -8.099
  258   2HB   ALA  33           HB2      ALA  33 -13.304  -9.046  -9.046
  259   3HB   ALA  33           HB1      ALA  33 -13.703  -7.347  -7.347
  260    HA   PRO  34           HA       PRO  34 -11.481  -9.907  -9.907
  261   1HB   PRO  34           HB2      PRO  34 -13.987 -10.221 -10.221
  262   2HB   PRO  34           HB1      PRO  34 -12.958  -8.815  -8.815
  263   1HG   PRO  34           HG2      PRO  34 -15.222  -9.099  -9.099
  264   2HG   PRO  34           HG1      PRO  34 -14.825  -7.749  -7.749
  265   1HD   PRO  34           HD2      PRO  34 -14.244  -7.721  -7.721
  266   2HD   PRO  34           HD1      PRO  34 -13.238  -6.897  -6.897
  267    H    TRP  35           HN       TRP  35 -13.778 -10.353 -10.353
  268    HA   TRP  35           HA       TRP  35 -14.047 -13.262 -13.262
  269   1HB   TRP  35           HB2      TRP  35 -15.711 -13.107 -13.107
  270   2HB   TRP  35           HB1      TRP  35 -16.057 -11.977 -11.977
  271    HD1  TRP  35           HD1      TRP  35 -15.966  -9.439  -9.439
  272    HE1  TRP  35           HE1      TRP  35 -15.608  -8.063  -8.063
  273    HE3  TRP  35           HE3      TRP  35 -14.372 -13.127 -13.127
  274    HZ2  TRP  35           HZ2      TRP  35 -14.759  -8.471  -8.471
  275    HZ3  TRP  35           HZ3      TRP  35 -13.797 -12.604 -12.604
  276    HH2  TRP  35           HH2      TRP  35 -13.989 -10.283 -10.283
  277    H    CYS  36           HN       CYS  36 -12.212 -11.058 -11.058
  278    HA   CYS  36           HA       CYS  36 -11.679 -12.652 -12.652
  279   1HB   CYS  36           HB2      CYS  36 -11.114 -10.275 -10.275
  280   2HB   CYS  36           HB1      CYS  36  -9.980 -10.672 -10.672
  281    H    GLY  37           HN       GLY  37 -10.667 -14.627 -14.627
  282   1HA   GLY  37           HA2      GLY  37  -9.197 -15.595 -15.595
  283   2HA   GLY  37           HA1      GLY  37  -9.641 -16.560 -16.560
  284    H    HIS  38           HN       HIS  38  -8.519 -14.490 -14.490
  285    HA   HIS  38           HA       HIS  38  -5.729 -15.450 -15.450
  286   1HB   HIS  38           HB2      HIS  38  -7.491 -15.144 -15.144
  287   2HB   HIS  38           HB1      HIS  38  -6.767 -13.537 -13.537
  288    HD1  HIS  38           HD1      HIS  38  -5.802 -14.429 -14.429
  289    HD2  HIS  38           HD2      HIS  38  -4.206 -16.208 -16.208
  290    HE1  HIS  38           HE1      HIS  38  -3.657 -15.566 -15.566
  291    H    CYS  39           HN       CYS  39  -7.099 -13.069 -13.069
  292    HA   CYS  39           HA       CYS  39  -5.180 -10.913 -10.913
  293   1HB   CYS  39           HB2      CYS  39  -7.603 -11.201 -11.201
  294   2HB   CYS  39           HB1      CYS  39  -6.575  -9.767  -9.767
  295    H    LYS  40           HN       LYS  40  -5.812 -13.328 -13.328
  296    HA   LYS  40           HA       LYS  40  -3.983 -12.219 -12.219
  297   1HB   LYS  40           HB2      LYS  40  -4.427 -14.367 -14.367
  298   2HB   LYS  40           HB1      LYS  40  -5.929 -13.688 -13.688
  299   1HG   LYS  40           HG1      LYS  40  -5.179 -15.135 -15.135
  300   2HG   LYS  40           HG2      LYS  40  -4.434 -16.102 -16.102
  301   1HD   LYS  40           HD2      LYS  40  -6.800 -15.770 -15.770
  302   2HD   LYS  40           HD1      LYS  40  -7.331 -15.534 -15.534
  303   1HE   LYS  40           HE2      LYS  40  -6.497 -17.708 -17.708
  304   2HE   LYS  40           HE1      LYS  40  -5.709 -17.933 -17.933
  305   1HZ   LYS  40           HZ2      LYS  40  -8.606 -17.371 -17.371
  306   2HZ   LYS  40           HZ1      LYS  40  -8.000 -18.958 -18.958
  307   3HZ   LYS  40           HZ3      LYS  40  -7.762 -17.980 -17.980
  308    H    ALA  41           HN       ALA  41  -3.676 -14.243 -14.243
  309    HA   ALA  41           HA       ALA  41  -1.346 -15.734 -15.734
  310   1HB   ALA  41           HB2      ALA  41  -3.012 -15.235 -15.235
  311   2HB   ALA  41           HB1      ALA  41  -1.497 -14.510 -14.510
  312   3HB   ALA  41           HB3      ALA  41  -1.547 -16.213 -16.213
  313    H    LEU  42           HN       LEU  42  -1.695 -12.321 -12.321
  314    HA   LEU  42           HA       LEU  42   1.278 -12.002 -12.002
  315   1HB   LEU  42           HB1      LEU  42  -0.266 -11.357 -11.357
  316   2HB   LEU  42           HB2      LEU  42  -0.649  -9.945  -9.945
  317    HG   LEU  42           HG       LEU  42   2.108 -10.113 -10.113
  318   1HD1  LEU  42          HD23      LEU  42   1.552 -11.798 -11.798
  319   2HD1  LEU  42          HD22      LEU  42   1.734 -10.266 -10.266
  320   3HD1  LEU  42          HD21      LEU  42   3.051 -10.880 -10.880
  321   1HD2  LEU  42          HD13      LEU  42   0.196  -8.290  -8.290
  322   2HD2  LEU  42          HD12      LEU  42   1.932  -7.984  -7.984
  323   3HD2  LEU  42          HD11      LEU  42   1.169  -8.495  -8.495
  324    H    ALA  43           HN       ALA  43  -1.206 -11.841 -11.841
  325    HA   ALA  43           HA       ALA  43  -1.089  -9.179  -9.179
  326   1HB   ALA  43           HB2      ALA  43  -2.182 -11.838 -11.838
  327   2HB   ALA  43           HB1      ALA  43  -1.803 -10.870 -10.870
  328   3HB   ALA  43           HB3      ALA  43  -2.915 -10.248 -10.248
  329    HA   PRO  44           HA       PRO  44   1.981 -10.966 -10.966
  330   1HB   PRO  44           HB1      PRO  44   2.984 -13.479 -13.479
  331   2HB   PRO  44           HB2      PRO  44   1.511 -13.151 -13.151
  332   1HG   PRO  44           HG2      PRO  44   1.819 -14.105 -14.105
  333   2HG   PRO  44           HG1      PRO  44   0.635 -14.580 -14.580
  334   1HD   PRO  44           HD1      PRO  44   0.086 -12.859 -12.859
  335   2HD   PRO  44           HD2      PRO  44  -0.757 -12.832 -12.832
  336    H    GLU  45           HN       GLU  45   2.304 -11.122 -11.122
  337    HA   GLU  45           HA       GLU  45   5.273 -11.210 -11.210
  338   1HB   GLU  45           HB2      GLU  45   3.142 -11.104 -11.104
  339   2HB   GLU  45           HB1      GLU  45   4.870 -11.083 -11.083
  340   1HG   GLU  45           HG1      GLU  45   4.645 -13.350 -13.350
  341   2HG   GLU  45           HG2      GLU  45   4.719 -13.210 -13.210
  342    H    TYR  46           HN       TYR  46   2.545  -9.094  -9.094
  343    HA   TYR  46           HA       TYR  46   4.178  -6.799  -6.799
  344   1HB   TYR  46           HB2      TYR  46   2.074  -6.748  -6.748
  345   2HB   TYR  46           HB1      TYR  46   1.313  -7.555  -7.555
  346    HD1  TYR  46           HD1      TYR  46   0.675  -6.255  -6.255
  347    HD2  TYR  46           HD2      TYR  46   2.250  -4.363  -4.363
  348    HE1  TYR  46           HE1      TYR  46  -0.139  -4.060  -4.060
  349    HE2  TYR  46           HE2      TYR  46   1.441  -2.176  -2.176
  350    HH   TYR  46           HH       TYR  46  -0.716  -1.594  -1.594
  351    H    ALA  47           HN       ALA  47   3.078  -8.228  -8.228
  352    HA   ALA  47           HA       ALA  47   3.292  -5.765  -5.765
  353   1HB   ALA  47           HB1      ALA  47   1.743  -7.617  -7.617
  354   2HB   ALA  47           HB3      ALA  47   3.116  -8.706  -8.706
  355   3HB   ALA  47           HB2      ALA  47   2.890  -7.357  -7.357
  356    H    LYS  48           HN       LYS  48   5.284  -8.555  -8.555
  357    HA   LYS  48           HA       LYS  48   7.399  -8.005  -8.005
  358   1HB   LYS  48           HB2      LYS  48   7.118  -9.647  -9.647
  359   2HB   LYS  48           HB1      LYS  48   8.593  -9.640  -9.640
  360   1HG   LYS  48           HG2      LYS  48   5.834 -10.436 -10.436
  361   2HG   LYS  48           HG1      LYS  48   7.183 -11.530 -11.530
  362   1HD   LYS  48           HD2      LYS  48   8.294  -9.654  -9.654
  363   2HD   LYS  48           HD1      LYS  48   6.653  -9.826  -9.826
  364   1HE   LYS  48           HE2      LYS  48   7.601 -11.615 -11.615
  365   2HE   LYS  48           HE1      LYS  48   7.271 -12.444 -12.444
  366   1HZ   LYS  48           HZ1      LYS  48   9.481 -11.528 -11.528
  367   2HZ   LYS  48           HZ3      LYS  48   9.791 -11.142 -11.142
  368   3HZ   LYS  48           HZ2      LYS  48   9.555 -12.762 -12.762
  369    H    ALA  49           HN       ALA  49   6.649  -7.040  -7.040
  370    HA   ALA  49           HA       ALA  49   9.193  -6.007  -6.007
  371   1HB   ALA  49           HB2      ALA  49   6.742  -6.341  -6.341
  372   2HB   ALA  49           HB1      ALA  49   6.725  -4.598  -4.598
  373   3HB   ALA  49           HB3      ALA  49   7.997  -5.328  -5.328
  374    H    ALA  50           HN       ALA  50   6.475  -4.549  -4.549
  375    HA   ALA  50           HA       ALA  50   7.449  -1.873  -1.873
  376   1HB   ALA  50           HB3      ALA  50   5.177  -2.968  -2.968
  377   2HB   ALA  50           HB2      ALA  50   5.938  -3.306  -3.306
  378   3HB   ALA  50           HB1      ALA  50   5.753  -1.640  -1.640
  379    H    GLY  51           HN       GLY  51   8.280  -4.786  -4.786
  380   1HA   GLY  51           HA2      GLY  51   9.697  -3.448  -3.448
  381   2HA   GLY  51           HA1      GLY  51   9.836  -5.158  -5.158
  382    H    LYS  52           HN       LYS  52  10.472  -4.321  -4.321
  383    HA   LYS  52           HA       LYS  52  13.289  -4.497  -4.497
  384   1HB   LYS  52           HB2      LYS  52  11.419  -3.214  -3.214
  385   2HB   LYS  52           HB1      LYS  52  13.091  -3.666  -3.666
  386   1HG   LYS  52           HG1      LYS  52  11.182  -5.708  -5.708
  387   2HG   LYS  52           HG2      LYS  52  11.178  -5.345  -5.345
  388   1HD   LYS  52           HD2      LYS  52  12.840  -6.891  -6.891
  389   2HD   LYS  52           HD1      LYS  52  13.865  -5.601  -5.601
  390   1HE   LYS  52           HE2      LYS  52  14.309  -7.085  -7.085
  391   2HE   LYS  52           HE1      LYS  52  12.719  -6.596  -6.596
  392   1HZ   LYS  52           HZ2      LYS  52  13.178  -8.770  -8.770
  393   2HZ   LYS  52           HZ1      LYS  52  12.880  -9.015  -9.015
  394   3HZ   LYS  52           HZ3      LYS  52  11.685  -8.321  -8.321
  395    H    LEU  53           HN       LEU  53  11.171  -1.706  -1.706
  396    HA   LEU  53           HA       LEU  53  13.570   0.081   0.081
  397   1HB   LEU  53           HB1      LEU  53  12.016   1.856   1.856
  398   2HB   LEU  53           HB2      LEU  53  11.811   0.512   0.512
  399    HG   LEU  53           HG       LEU  53  10.082   0.028   0.028
  400   1HD1  LEU  53          HD11      LEU  53  10.543   2.778   2.778
  401   2HD1  LEU  53          HD13      LEU  53   9.031   2.518   2.518
  402   3HD1  LEU  53          HD12      LEU  53   9.182   2.009   2.009
  403   1HD2  LEU  53          HD21      LEU  53  10.002   0.350   0.350
  404   2HD2  LEU  53          HD23      LEU  53   9.073  -0.740  -0.740
  405   3HD2  LEU  53          HD22      LEU  53   8.522   0.916   0.916
  406    H    LYS  54           HN       LYS  54  11.889  -1.692  -1.692
  407    HA   LYS  54           HA       LYS  54  10.685  -0.021  -0.021
  408   1HB   LYS  54           HB2      LYS  54  10.674  -2.466  -2.466
  409   2HB   LYS  54           HB1      LYS  54  12.420  -2.492  -2.492
  410   1HG   LYS  54           HG2      LYS  54  12.239  -1.559  -1.559
  411   2HG   LYS  54           HG1      LYS  54  10.574  -1.045  -1.045
  412   1HD   LYS  54           HD2      LYS  54  10.227  -3.663  -3.663
  413   2HD   LYS  54           HD1      LYS  54  11.638  -3.758  -3.758
  414   1HE   LYS  54           HE2      LYS  54  10.357  -2.154  -2.154
  415   2HE   LYS  54           HE1      LYS  54   8.922  -2.578  -2.578
  416   1HZ   LYS  54           HZ2      LYS  54  10.775  -4.626  -4.626
  417   2HZ   LYS  54           HZ1      LYS  54   9.434  -4.077  -4.077
  418   3HZ   LYS  54           HZ3      LYS  54   9.204  -4.848  -4.848
  419    H    ALA  55           HN       ALA  55  13.983  -1.324  -1.324
  420    HA   ALA  55           HA       ALA  55  14.850   0.587   0.587
  421   1HB   ALA  55           HB2      ALA  55  16.393  -0.887  -0.887
  422   2HB   ALA  55           HB1      ALA  55  17.114  -0.154  -0.154
  423   3HB   ALA  55           HB3      ALA  55  16.010  -1.519  -1.519
  424    H    GLU  56           HN       GLU  56  14.867   0.659   0.659
  425    HA   GLU  56           HA       GLU  56  14.679   3.480   3.480
  426   1HB   GLU  56           HB1      GLU  56  17.126   3.718   3.718
  427   2HB   GLU  56           HB2      GLU  56  16.842   3.813   3.813
  428   1HG   GLU  56           HG2      GLU  56  17.937   1.845   1.845
  429   2HG   GLU  56           HG1      GLU  56  17.307   1.081   1.081
  430    H    GLY  57           HN       GLY  57  17.038   2.135   2.135
  431   1HA   GLY  57           HA2      GLY  57  16.813   1.290   1.290
  432   2HA   GLY  57           HA1      GLY  57  15.132   0.913   0.913
  433    H    SER  58           HN       SER  58  13.950   3.278   3.278
  434    HA   SER  58           HA       SER  58  14.664   5.523   5.523
  435   1HB   SER  58           HB2      SER  58  13.989   3.316   3.316
  436   2HB   SER  58           HB1      SER  58  12.448   4.164   4.164
  437    HG   SER  58           HG       SER  58  13.734   4.870   4.870
  438    H    GLU  59           HN       GLU  59  12.482   6.775   6.775
  439    HA   GLU  59           HA       GLU  59  10.863   6.737   6.737
  440   1HB   GLU  59           HB1      GLU  59  10.190   8.986   8.986
  441   2HB   GLU  59           HB2      GLU  59  11.945   8.817   8.817
  442   1HG   GLU  59           HG2      GLU  59  12.091   9.241   9.241
  443   2HG   GLU  59           HG1      GLU  59  11.018   7.885   7.885
  444    H    ILE  60           HN       ILE  60  10.630   5.232   5.232
  445    HA   ILE  60           HA       ILE  60   8.050   5.845   5.845
  446    HB   ILE  60           HB       ILE  60   8.252   3.592   3.592
  447   1HG1  ILE  60          HG11      ILE  60  10.578   3.284   3.284
  448   2HG1  ILE  60          HG12      ILE  60   9.037   2.437   2.437
  449   1HG2  ILE  60          HG23      ILE  60  10.377   5.608   5.608
  450   2HG2  ILE  60          HG22      ILE  60  10.959   4.010   4.010
  451   3HG2  ILE  60          HG21      ILE  60   9.644   4.767   4.767
  452   1HD1  ILE  60          HD12      ILE  60  10.651   2.281   2.281
  453   2HD1  ILE  60          HD11      ILE  60  11.043   1.236   1.236
  454   3HD1  ILE  60          HD13      ILE  60   9.449   1.148   1.148
  455    H    ARG  61           HN       ARG  61   6.060   4.463   4.463
  456    HA   ARG  61           HA       ARG  61   5.866   3.026   3.026
  457   1HB   ARG  61           HB2      ARG  61   4.779   5.676   5.676
  458   2HB   ARG  61           HB1      ARG  61   3.604   4.582   4.582
  459   1HG   ARG  61           HG2      ARG  61   6.343   5.118   5.118
  460   2HG   ARG  61           HG1      ARG  61   4.888   5.991   5.991
  461   1HD   ARG  61           HD2      ARG  61   3.932   3.507   3.507
  462   2HD   ARG  61           HD1      ARG  61   5.653   3.146   3.146
  463    HE   ARG  61           HE       ARG  61   5.602   5.066   5.066
  464   1HH1  ARG  61          HH11      ARG  61   2.989   6.148   6.148
  465   2HH1  ARG  61          HH12      ARG  61   2.071   5.185   5.185
  466   1HH2  ARG  61          HH21      ARG  61   4.340   2.564   2.564
  467   2HH2  ARG  61          HH22      ARG  61   2.835   3.156   3.156
  468    H    LEU  62           HN       LEU  62   4.268   1.421   1.421
  469    HA   LEU  62           HA       LEU  62   2.876   0.989   0.989
  470   1HB   LEU  62           HB2      LEU  62   3.570  -0.854  -0.854
  471   2HB   LEU  62           HB1      LEU  62   2.782  -1.365  -1.365
  472    HG   LEU  62           HG       LEU  62   4.867  -0.170  -0.170
  473   1HD1  LEU  62          HD13      LEU  62   5.668  -0.658  -0.658
  474   2HD1  LEU  62          HD12      LEU  62   6.869  -0.813  -0.813
  475   3HD1  LEU  62          HD11      LEU  62   6.035   0.722   0.722
  476   1HD2  LEU  62          HD23      LEU  62   4.153  -2.660  -2.660
  477   2HD2  LEU  62          HD22      LEU  62   5.848  -2.305  -2.305
  478   3HD2  LEU  62          HD21      LEU  62   5.354  -2.821  -2.821
  479    H    ALA  63           HN       ALA  63   0.594   0.314   0.314
  480    HA   ALA  63           HA       ALA  63  -0.783   0.563   0.563
  481   1HB   ALA  63           HB1      ALA  63  -0.336   2.819   2.819
  482   2HB   ALA  63           HB3      ALA  63  -1.865   2.310   2.310
  483   3HB   ALA  63           HB2      ALA  63  -1.759   2.602   2.602
  484    H    LYS  64           HN       LYS  64  -3.162   0.047   0.047
  485    HA   LYS  64           HA       LYS  64  -3.784  -1.502  -1.502
  486   1HB   LYS  64           HB2      LYS  64  -4.299  -2.351  -2.351
  487   2HB   LYS  64           HB1      LYS  64  -4.626  -3.300  -3.300
  488   1HG   LYS  64           HG2      LYS  64  -2.073  -2.935  -2.935
  489   2HG   LYS  64           HG1      LYS  64  -1.984  -2.610  -2.610
  490   1HD   LYS  64           HD2      LYS  64  -1.927  -4.838  -4.838
  491   2HD   LYS  64           HD1      LYS  64  -3.593  -4.903  -4.903
  492   1HE   LYS  64           HE1      LYS  64  -1.465  -4.775  -4.775
  493   2HE   LYS  64           HE2      LYS  64  -1.645  -6.303  -6.303
  494   1HZ   LYS  64           HZ1      LYS  64  -4.081  -6.101  -6.101
  495   2HZ   LYS  64           HZ3      LYS  64  -3.771  -4.780  -4.780
  496   3HZ   LYS  64           HZ2      LYS  64  -3.177  -6.320  -6.320
  497    H    VAL  65           HN       VAL  65  -6.195  -2.015  -2.015
  498    HA   VAL  65           HA       VAL  65  -7.876  -0.026  -0.026
  499    HB   VAL  65           HB       VAL  65  -7.734  -0.459  -0.459
  500   1HG1  VAL  65          HG11      VAL  65 -10.059  -0.100  -0.100
  501   2HG1  VAL  65          HG13      VAL  65  -9.513   1.416   1.416
  502   3HG1  VAL  65          HG12      VAL  65  -9.498   1.217   1.217
  503   1HG2  VAL  65          HG23      VAL  65  -6.900   1.763   1.763
  504   2HG2  VAL  65          HG22      VAL  65  -5.949   0.962   0.962
  505   3HG2  VAL  65          HG21      VAL  65  -7.241   2.075   2.075
  506    H    ASP  66           HN       ASP  66 -10.086  -0.693  -0.693
  507    HA   ASP  66           HA       ASP  66 -10.528  -3.595  -3.595
  508   1HB   ASP  66           HB1      ASP  66 -11.761  -1.539  -1.539
  509   2HB   ASP  66           HB2      ASP  66 -12.428  -3.161  -3.161
  510    H    ALA  67           HN       ALA  67 -11.233  -3.542  -3.542
  511    HA   ALA  67           HA       ALA  67 -12.873  -1.717  -1.717
  512   1HB   ALA  67           HB2      ALA  67 -11.970  -4.424  -4.424
  513   2HB   ALA  67           HB1      ALA  67 -13.671  -4.358  -4.358
  514   3HB   ALA  67           HB3      ALA  67 -12.497  -3.320  -3.320
  515    H    THR  68           HN       THR  68 -13.802  -4.061  -4.061
  516    HA   THR  68           HA       THR  68 -16.695  -3.629  -3.629
  517    HB   THR  68           HB       THR  68 -16.823  -5.307  -5.307
  518    HG1  THR  68           HG1      THR  68 -14.836  -4.760  -4.760
  519   1HG2  THR  68          HG23      THR  68 -16.701  -5.905  -5.905
  520   2HG2  THR  68          HG22      THR  68 -14.970  -6.157  -6.157
  521   3HG2  THR  68          HG21      THR  68 -16.126  -7.160  -7.160
  522    H    GLU  69           HN       GLU  69 -14.655  -1.560  -1.560
  523    HA   GLU  69           HA       GLU  69 -16.410  -0.711  -0.711
  524   1HB   GLU  69           HB1      GLU  69 -14.036  -1.987  -1.987
  525   2HB   GLU  69           HB2      GLU  69 -13.488  -0.312  -0.312
  526   1HG   GLU  69           HG2      GLU  69 -15.913  -0.561  -0.561
  527   2HG   GLU  69           HG1      GLU  69 -14.626  -1.589  -1.589
  528    H    GLU  70           HN       GLU  70 -13.623   0.198   0.198
  529    HA   GLU  70           HA       GLU  70 -14.763   2.974   2.974
  530   1HB   GLU  70           HB2      GLU  70 -11.903   1.961   1.961
  531   2HB   GLU  70           HB1      GLU  70 -12.345   3.646   3.646
  532   1HG   GLU  70           HG1      GLU  70 -12.393   3.940   3.940
  533   2HG   GLU  70           HG2      GLU  70 -13.767   2.838   2.838
  534    H    SER  71           HN       SER  71 -15.636   1.089   1.089
  535    HA   SER  71           HA       SER  71 -14.042   0.882   0.882
  536   1HB   SER  71           HB2      SER  71 -16.911   0.975   0.975
  537   2HB   SER  71           HB1      SER  71 -15.811  -0.390  -0.390
  538    HG   SER  71           HG       SER  71 -17.351  -0.773  -0.773
  539    H    ASP  72           HN       ASP  72 -15.772   3.547   3.547
  540    HA   ASP  72           HA       ASP  72 -16.669   5.030   5.030
  541   1HB   ASP  72           HB2      ASP  72 -15.548   5.569   5.569
  542   2HB   ASP  72           HB1      ASP  72 -15.625   6.946   6.946
  543    H    LEU  73           HN       LEU  73 -13.356   4.406   4.406
  544    HA   LEU  73           HA       LEU  73 -12.289   6.354   6.354
  545   1HB   LEU  73           HB1      LEU  73 -10.894   4.493   4.493
  546   2HB   LEU  73           HB2      LEU  73 -10.166   5.859   5.859
  547    HG   LEU  73           HG       LEU  73 -12.444   6.908   6.908
  548   1HD1  LEU  73          HD13      LEU  73 -11.950   4.569   4.569
  549   2HD1  LEU  73          HD12      LEU  73 -10.898   5.663   5.663
  550   3HD1  LEU  73          HD11      LEU  73 -12.626   5.996   5.996
  551   1HD2  LEU  73          HD22      LEU  73  -9.470   6.996   6.996
  552   2HD2  LEU  73          HD21      LEU  73 -10.524   8.252   8.252
  553   3HD2  LEU  73          HD23      LEU  73 -10.566   7.869   7.869
  554    H    ALA  74           HN       ALA  74 -12.404   2.870   2.870
  555    HA   ALA  74           HA       ALA  74 -10.671   2.030   2.030
  556   1HB   ALA  74           HB1      ALA  74 -12.625   0.917   0.917
  557   2HB   ALA  74           HB3      ALA  74 -12.524   0.011   0.011
  558   3HB   ALA  74           HB2      ALA  74 -11.078   0.255   0.255
  559    H    GLN  75           HN       GLN  75 -14.201   2.538   2.538
  560    HA   GLN  75           HA       GLN  75 -14.832   1.603   1.603
  561   1HB   GLN  75           HB2      GLN  75 -16.459   2.060   2.060
  562   2HB   GLN  75           HB1      GLN  75 -16.069   3.780   3.780
  563   1HG   GLN  75           HG1      GLN  75 -18.112   3.367   3.367
  564   2HG   GLN  75           HG2      GLN  75 -16.817   3.806   3.806
  565   1HE2  GLN  75          HE22      GLN  75 -16.614   0.535   0.535
  566   2HE2  GLN  75          HE21      GLN  75 -15.741   1.964   1.964
  567    H    GLN  76           HN       GLN  76 -13.671   4.747   4.747
  568    HA   GLN  76           HA       GLN  76 -14.093   6.286   6.286
  569   1HB   GLN  76           HB1      GLN  76 -12.133   6.309   6.309
  570   2HB   GLN  76           HB2      GLN  76 -12.018   7.510   7.510
  571   1HG   GLN  76           HG1      GLN  76 -14.692   7.598   7.598
  572   2HG   GLN  76           HG2      GLN  76 -14.035   7.232   7.232
  573   1HE2  GLN  76          HE22      GLN  76 -13.970  10.931  10.931
  574   2HE2  GLN  76          HE21      GLN  76 -15.164   9.728   9.728
  575    H    TYR  77           HN       TYR  77 -11.507   4.049   4.049
  576    HA   TYR  77           HA       TYR  77  -9.948   4.645   4.645
  577   1HB   TYR  77           HB1      TYR  77  -9.691   2.756   2.756
  578   2HB   TYR  77           HB2      TYR  77  -8.526   2.788   2.788
  579    HD1  TYR  77           HD2      TYR  77  -7.582   5.168   5.168
  580    HD2  TYR  77           HD1      TYR  77  -9.379   4.183   4.183
  581    HE1  TYR  77           HE2      TYR  77  -6.443   7.106   7.106
  582    HE2  TYR  77           HE1      TYR  77  -8.240   6.122   6.122
  583    HH   TYR  77           HH       TYR  77  -5.791   7.941   7.941
  584    H    GLY  78           HN       GLY  78 -11.562   1.781   1.781
  585   1HA   GLY  78           HA1      GLY  78 -13.095   0.519   0.519
  586   2HA   GLY  78           HA2      GLY  78 -11.828   0.711   0.711
  587    H    VAL  79           HN       VAL  79 -11.428  -0.050  -0.050
  588    HA   VAL  79           HA       VAL  79  -9.837  -2.440  -2.440
  589    HB   VAL  79           HB       VAL  79 -10.321  -1.003  -1.003
  590   1HG1  VAL  79          HG12      VAL  79  -8.680  -3.345  -3.345
  591   2HG1  VAL  79          HG11      VAL  79  -7.947  -2.205  -2.205
  592   3HG1  VAL  79          HG13      VAL  79  -9.455  -3.011  -3.011
  593   1HG2  VAL  79          HG22      VAL  79  -8.889  -0.185  -0.185
  594   2HG2  VAL  79          HG21      VAL  79  -8.804   0.521   0.521
  595   3HG2  VAL  79          HG23      VAL  79  -7.674  -0.750  -0.750
  596    H    ARG  80           HN       ARG  80 -11.548  -3.935  -3.935
  597    HA   ARG  80           HA       ARG  80 -13.362  -4.649  -4.649
  598   1HB   ARG  80           HB1      ARG  80 -14.700  -4.019  -4.019
  599   2HB   ARG  80           HB2      ARG  80 -13.525  -4.564  -4.564
  600   1HG   ARG  80           HG2      ARG  80 -14.143  -6.832  -6.832
  601   2HG   ARG  80           HG1      ARG  80 -15.022  -6.505  -6.505
  602   1HD   ARG  80           HD2      ARG  80 -16.004  -4.926  -4.926
  603   2HD   ARG  80           HD1      ARG  80 -16.202  -6.678  -6.678
  604    HE   ARG  80           HE       ARG  80 -16.929  -5.886  -5.886
  605   1HH1  ARG  80          HH11      ARG  80 -18.273  -4.120  -4.120
  606   2HH1  ARG  80          HH12      ARG  80 -19.819  -4.897  -4.897
  607   1HH2  ARG  80          HH21      ARG  80 -18.799  -7.668  -7.668
  608   2HH2  ARG  80          HH22      ARG  80 -20.117  -6.907  -6.907
  609    H    GLY  81           HN       GLY  81 -10.589  -5.679  -5.679
  610   1HA   GLY  81           HA2      GLY  81 -11.133  -8.532  -8.532
  611   2HA   GLY  81           HA1      GLY  81 -10.016  -8.022  -8.022
  612    H    TYR  82           HN       TYR  82 -10.461  -8.349  -8.349
  613    HA   TYR  82           HA       TYR  82  -7.834  -7.238  -7.238
  614   1HB   TYR  82           HB1      TYR  82  -9.611  -8.996  -8.996
  615   2HB   TYR  82           HB2      TYR  82  -8.502  -7.737  -7.737
  616    HD1  TYR  82           HD1      TYR  82  -9.052  -5.364  -5.364
  617    HD2  TYR  82           HD2      TYR  82 -11.842  -8.439  -8.439
  618    HE1  TYR  82           HE1      TYR  82 -10.904  -3.712  -3.712
  619    HE2  TYR  82           HE2      TYR  82 -13.690  -6.786  -6.786
  620    HH   TYR  82           HH       TYR  82 -14.256  -4.695  -4.695
  621    HA   PRO  83           HA       PRO  83  -6.597  -7.728  -7.728
  622   1HB   PRO  83           HB2      PRO  83  -3.905  -8.100  -8.100
  623   2HB   PRO  83           HB1      PRO  83  -5.084  -8.999  -8.999
  624   1HG   PRO  83           HG1      PRO  83  -3.506  -9.866  -9.866
  625   2HG   PRO  83           HG2      PRO  83  -4.068 -10.801 -10.801
  626   1HD   PRO  83           HD2      PRO  83  -5.220 -10.785 -10.785
  627   2HD   PRO  83           HD1      PRO  83  -5.982 -11.389 -11.389
  628    H    THR  84           HN       THR  84  -6.208  -5.678  -5.678
  629    HA   THR  84           HA       THR  84  -4.559  -5.463  -5.463
  630    HB   THR  84           HB       THR  84  -6.878  -3.793  -3.793
  631    HG1  THR  84           HG1      THR  84  -7.872  -5.498  -5.498
  632   1HG2  THR  84          HG22      THR  84  -4.928  -3.478  -3.478
  633   2HG2  THR  84          HG21      THR  84  -6.610  -3.300  -3.300
  634   3HG2  THR  84          HG23      THR  84  -5.954  -2.272  -2.272
  635    H    ILE  85           HN       ILE  85  -2.605  -4.532  -4.532
  636    HA   ILE  85           HA       ILE  85  -2.420  -2.708  -2.708
  637    HB   ILE  85           HB       ILE  85  -0.313  -3.908  -3.908
  638   1HG1  ILE  85          HG12      ILE  85  -0.487  -4.954  -4.954
  639   2HG1  ILE  85          HG11      ILE  85  -1.994  -5.201  -5.201
  640   1HG2  ILE  85          HG23      ILE  85   0.203  -1.813  -1.813
  641   2HG2  ILE  85          HG22      ILE  85   0.062  -2.900  -2.900
  642   3HG2  ILE  85          HG21      ILE  85   1.286  -3.198  -3.198
  643   1HD1  ILE  85          HD13      ILE  85   0.444  -5.766  -5.766
  644   2HD1  ILE  85          HD12      ILE  85   0.193  -6.843  -6.843
  645   3HD1  ILE  85          HD11      ILE  85  -1.049  -6.694  -6.694
  646    H    LYS  86           HN       LYS  86  -1.621  -0.571  -0.571
  647    HA   LYS  86           HA       LYS  86  -1.235   0.497   0.497
  648   1HB   LYS  86           HB2      LYS  86  -3.566   0.733   0.733
  649   2HB   LYS  86           HB1      LYS  86  -2.738   2.269   2.269
  650   1HG   LYS  86           HG1      LYS  86  -4.035   2.617   2.617
  651   2HG   LYS  86           HG2      LYS  86  -2.408   2.304   2.304
  652   1HD   LYS  86           HD2      LYS  86  -3.062  -0.126  -0.126
  653   2HD   LYS  86           HD1      LYS  86  -4.718   0.347   0.347
  654   1HE   LYS  86           HE2      LYS  86  -3.204   1.740   1.740
  655   2HE   LYS  86           HE1      LYS  86  -4.063   0.218   0.218
  656   1HZ   LYS  86           HZ2      LYS  86  -5.982   1.319   1.319
  657   2HZ   LYS  86           HZ1      LYS  86  -5.156   2.785   2.785
  658   3HZ   LYS  86           HZ3      LYS  86  -5.667   1.879   1.879
  659    H    PHE  87           HN       PHE  87   0.196   2.299   2.299
  660    HA   PHE  87           HA       PHE  87   1.503   2.976   2.976
  661   1HB   PHE  87           HB2      PHE  87   2.933   1.615   1.615
  662   2HB   PHE  87           HB1      PHE  87   2.600   2.629   2.629
  663    HD1  PHE  87           HD1      PHE  87   3.336   3.663   3.663
  664    HD2  PHE  87           HD2      PHE  87   4.696   3.562   3.562
  665    HE1  PHE  87           HE1      PHE  87   5.241   5.133   5.133
  666    HE2  PHE  87           HE2      PHE  87   6.601   5.031   5.031
  667    HZ   PHE  87           HZ       PHE  87   6.874   5.817   5.817
  668    H    PHE  88           HN       PHE  88   1.430   5.132   5.132
  669    HA   PHE  88           HA       PHE  88   0.684   7.074   7.074
  670   1HB   PHE  88           HB1      PHE  88   0.107   6.767   6.767
  671   2HB   PHE  88           HB2      PHE  88   0.035   8.372   8.372
  672    HD1  PHE  88           HD1      PHE  88  -1.149   4.862   4.862
  673    HD2  PHE  88           HD2      PHE  88  -1.942   9.060   9.060
  674    HE1  PHE  88           HE1      PHE  88  -3.390   4.342   4.342
  675    HE2  PHE  88           HE2      PHE  88  -4.182   8.542   8.542
  676    HZ   PHE  88           HZ       PHE  88  -4.907   6.183   6.183
  677    H    ARG  89           HN       ARG  89   1.734   9.222   9.222
  678    HA   ARG  89           HA       ARG  89   4.272   9.247   9.247
  679   1HB   ARG  89           HB2      ARG  89   4.573   8.437   8.437
  680   2HB   ARG  89           HB1      ARG  89   3.996  10.011  10.011
  681   1HG   ARG  89           HG2      ARG  89   5.847  11.143  11.143
  682   2HG   ARG  89           HG1      ARG  89   6.331   9.692   9.692
  683   1HD   ARG  89           HD2      ARG  89   7.833   9.807   9.807
  684   2HD   ARG  89           HD1      ARG  89   6.618   8.608   8.608
  685    HE   ARG  89           HE       ARG  89   5.746  11.256  11.256
  686   1HH1  ARG  89          HH11      ARG  89   6.631   8.314   8.314
  687   2HH1  ARG  89          HH12      ARG  89   7.281   8.919   8.919
  688   1HH2  ARG  89          HH21      ARG  89   7.158  12.241  12.241
  689   2HH2  ARG  89          HH22      ARG  89   7.579  11.140  11.140
  690    H    ASN  90           HN       ASN  90   4.244  11.094  11.094
  691    HA   ASN  90           HA       ASN  90   3.716  13.298  13.298
  692   1HB   ASN  90           HB1      ASN  90   5.440  13.489  13.489
  693   2HB   ASN  90           HB2      ASN  90   4.122  13.753  13.753
  694   1HD2  ASN  90          HD22      ASN  90   5.489  16.999  16.999
  695   2HD2  ASN  90          HD21      ASN  90   6.338  15.626  15.626
  696    H    GLY  91           HN       GLY  91   1.347  12.249  12.249
  697   1HA   GLY  91           HA1      GLY  91  -0.960  12.527  12.527
  698   2HA   GLY  91           HA2      GLY  91  -0.540  14.208  14.208
  699    H    ASP  92           HN       ASP  92  -0.248  11.072  11.072
  700    HA   ASP  92           HA       ASP  92  -0.177  12.142  12.142
  701   1HB   ASP  92           HB2      ASP  92  -0.175   9.640   9.640
  702   2HB   ASP  92           HB1      ASP  92  -1.476   9.566   9.566
  703    H    THR  93           HN       THR  93  -2.940  10.414  10.414
  704    HA   THR  93           HA       THR  93  -5.250  10.543  10.543
  705    HB   THR  93           HB       THR  93  -6.042  12.907  12.907
  706    HG1  THR  93           HG1      THR  93  -4.659  14.504  14.504
  707   1HG2  THR  93          HG22      THR  93  -3.858  11.939  11.939
  708   2HG2  THR  93          HG21      THR  93  -5.077  13.147  13.147
  709   3HG2  THR  93          HG23      THR  93  -5.560  11.484  11.484
  710    H    ALA  94           HN       ALA  94  -3.464  10.480  10.480
  711    HA   ALA  94           HA       ALA  94  -5.461  11.338  11.338
  712   1HB   ALA  94           HB2      ALA  94  -3.147  12.952  12.952
  713   2HB   ALA  94           HB1      ALA  94  -3.169  12.596  12.596
  714   3HB   ALA  94           HB3      ALA  94  -4.546  13.400  13.400
  715    H    SER  95           HN       SER  95  -1.928  10.926  10.926
  716    HA   SER  95           HA       SER  95  -2.405   8.638   8.638
  717   1HB   SER  95           HB2      SER  95   0.081  10.331  10.331
  718   2HB   SER  95           HB1      SER  95  -0.335   9.307   9.307
  719    HG   SER  95           HG       SER  95  -1.995  10.700  10.700
  720    HA   PRO  96           HA       PRO  96  -0.425   6.837   6.837
  721   1HB   PRO  96           HB1      PRO  96  -2.081   4.668   4.668
  722   2HB   PRO  96           HB2      PRO  96  -2.450   6.232   6.232
  723   1HG   PRO  96           HG2      PRO  96  -3.496   5.033   5.033
  724   2HG   PRO  96           HG1      PRO  96  -4.329   6.019   6.019
  725   1HD   PRO  96           HD2      PRO  96  -3.433   6.979   6.979
  726   2HD   PRO  96           HD1      PRO  96  -3.673   7.980   7.980
  727    H    LYS  97           HN       LYS  97   0.878   4.863   4.863
  728    HA   LYS  97           HA       LYS  97   1.277   3.686   3.686
  729   1HB   LYS  97           HB1      LYS  97   2.965   4.572   4.572
  730   2HB   LYS  97           HB2      LYS  97   3.435   2.999   2.999
  731   1HG   LYS  97           HG2      LYS  97   2.957   5.452   5.452
  732   2HG   LYS  97           HG1      LYS  97   4.549   4.946   4.946
  733   1HD   LYS  97           HD2      LYS  97   4.663   3.215   3.215
  734   2HD   LYS  97           HD1      LYS  97   2.957   2.810   2.810
  735   1HE   LYS  97           HE2      LYS  97   2.634   3.748   3.748
  736   2HE   LYS  97           HE1      LYS  97   2.938   5.315   5.315
  737   1HZ   LYS  97           HZ2      LYS  97   5.372   4.760   4.760
  738   2HZ   LYS  97           HZ1      LYS  97   4.904   3.510   3.510
  739   3HZ   LYS  97           HZ3      LYS  97   4.555   5.122   5.122
  740    H    GLU  98           HN       GLU  98   0.032   1.814   1.814
  741    HA   GLU  98           HA       GLU  98  -0.630   0.156   0.156
  742   1HB   GLU  98           HB2      GLU  98  -1.306  -1.422  -1.422
  743   2HB   GLU  98           HB1      GLU  98  -1.832   0.223   0.223
  744   1HG   GLU  98           HG1      GLU  98   0.810  -0.085  -0.085
  745   2HG   GLU  98           HG2      GLU  98  -0.137  -1.474  -1.474
  746    H    TYR  99           HN       TYR  99   0.121  -2.160  -2.160
  747    HA   TYR  99           HA       TYR  99   3.091  -2.284  -2.284
  748   1HB   TYR  99           HB2      TYR  99   1.090  -2.985  -2.985
  749   2HB   TYR  99           HB1      TYR  99   1.910  -4.468  -4.468
  750    HD1  TYR  99           HD1      TYR  99   2.322  -1.153  -1.153
  751    HD2  TYR  99           HD2      TYR  99   4.292  -4.793  -4.793
  752    HE1  TYR  99           HE1      TYR  99   4.282  -0.529  -0.529
  753    HE2  TYR  99           HE2      TYR  99   6.251  -4.170  -4.170
  754    HH   TYR  99           HH       TYR  99   6.534  -1.004  -1.004
  755    H    THR 100           HN       THR 100   4.064  -3.763  -3.763
  756    HA   THR 100           HA       THR 100   2.288  -5.515  -5.515
  757    HB   THR 100           HB       THR 100   4.617  -5.680  -5.680
  758    HG1  THR 100           HG1      THR 100   5.991  -4.065  -4.065
  759   1HG2  THR 100          HG21      THR 100   2.474  -4.407  -4.407
  760   2HG2  THR 100          HG23      THR 100   3.266  -2.983  -2.983
  761   3HG2  THR 100          HG22      THR 100   3.990  -3.829  -3.829
  762    H    ALA 101           HN       ALA 101   3.508  -5.987  -5.987
  763    HA   ALA 101           HA       ALA 101   4.712  -8.664  -8.664
  764   1HB   ALA 101           HB2      ALA 101   5.740  -6.444  -6.444
  765   2HB   ALA 101           HB1      ALA 101   5.290  -7.594  -7.594
  766   3HB   ALA 101           HB3      ALA 101   6.414  -8.074  -8.074
  767    H    GLY 102           HN       GLY 102   4.628  -9.432  -9.432
  768   1HA   GLY 102           HA2      GLY 102   2.575  -9.388  -9.388
  769   2HA   GLY 102           HA1      GLY 102   1.707  -9.985  -9.985
  770    H    ARG 103           HN       ARG 103   4.630 -10.755 -10.755
  771    HA   ARG 103           HA       ARG 103   3.859 -13.638 -13.638
  772   1HB   ARG 103           HB2      ARG 103   6.411 -12.239 -12.239
  773   2HB   ARG 103           HB1      ARG 103   6.461 -13.921 -13.921
  774   1HG   ARG 103           HG2      ARG 103   4.358 -13.294 -13.294
  775   2HG   ARG 103           HG1      ARG 103   6.013 -13.158 -13.158
  776   1HD   ARG 103           HD2      ARG 103   5.303 -15.578 -15.578
  777   2HD   ARG 103           HD1      ARG 103   4.763 -15.504 -15.504
  778    HE   ARG 103           HE       ARG 103   7.535 -14.689 -14.689
  779   1HH1  ARG 103          HH11      ARG 103   5.927 -16.522 -16.522
  780   2HH1  ARG 103          HH12      ARG 103   6.859 -17.975 -17.975
  781   1HH2  ARG 103          HH21      ARG 103   8.515 -16.934 -16.934
  782   2HH2  ARG 103          HH22      ARG 103   8.324 -18.208 -18.208
  783    H    GLU 104           HN       GLU 104   5.943 -11.221 -11.221
  784    HA   GLU 104           HA       GLU 104   5.303 -12.215 -12.215
  785   1HB   GLU 104           HB2      GLU 104   7.628 -13.007 -13.007
  786   2HB   GLU 104           HB1      GLU 104   6.832 -13.967 -13.967
  787   1HG   GLU 104           HG1      GLU 104   8.068 -11.785 -11.785
  788   2HG   GLU 104           HG2      GLU 104   9.259 -12.426 -12.426
  789    H    ALA 105           HN       ALA 105   6.817 -11.055 -11.055
  790    HA   ALA 105           HA       ALA 105   6.677  -8.296  -8.296
  791   1HB   ALA 105           HB3      ALA 105   7.736 -10.220 -10.220
  792   2HB   ALA 105           HB2      ALA 105   9.154  -9.267  -9.267
  793   3HB   ALA 105           HB1      ALA 105   7.759  -8.484  -8.484
  794    H    ASP 106           HN       ASP 106   9.353 -10.309 -10.309
  795    HA   ASP 106           HA       ASP 106  11.200  -8.291  -8.291
  796   1HB   ASP 106           HB2      ASP 106  10.436 -10.846 -10.846
  797   2HB   ASP 106           HB1      ASP 106  11.928  -9.948  -9.948
  798    H    ASP 107           HN       ASP 107   8.559  -9.596  -9.596
  799    HA   ASP 107           HA       ASP 107   8.928  -7.976  -7.976
  800   1HB   ASP 107           HB1      ASP 107   6.874  -9.642  -9.642
  801   2HB   ASP 107           HB2      ASP 107   6.174  -8.315  -8.315
  802    H    ILE 108           HN       ILE 108   7.741  -7.131  -7.131
  803    HA   ILE 108           HA       ILE 108   6.361  -4.686  -4.686
  804    HB   ILE 108           HB       ILE 108   7.291  -5.608  -5.608
  805   1HG1  ILE 108          HG12      ILE 108   5.920  -7.334  -7.334
  806   2HG1  ILE 108          HG11      ILE 108   5.066  -6.629  -6.629
  807   1HG2  ILE 108          HG23      ILE 108   6.580  -3.240  -3.240
  808   2HG2  ILE 108          HG22      ILE 108   5.045  -3.757  -3.757
  809   3HG2  ILE 108          HG21      ILE 108   5.450  -4.194  -4.194
  810   1HD1  ILE 108          HD13      ILE 108   4.550  -5.052  -5.052
  811   2HD1  ILE 108          HD12      ILE 108   4.192  -6.746  -6.746
  812   3HD1  ILE 108          HD11      ILE 108   3.404  -5.929  -5.929
  813    H    VAL 109           HN       VAL 109   9.284  -5.342  -5.342
  814    HA   VAL 109           HA       VAL 109  10.189  -2.600  -2.600
  815    HB   VAL 109           HB       VAL 109  11.630  -5.231  -5.231
  816   1HG1  VAL 109          HG23      VAL 109  12.795  -2.786  -2.786
  817   2HG1  VAL 109          HG22      VAL 109  12.463  -2.759  -2.759
  818   3HG1  VAL 109          HG21      VAL 109  13.448  -4.049  -4.049
  819   1HG2  VAL 109          HG11      VAL 109   9.580  -3.845  -3.845
  820   2HG2  VAL 109          HG13      VAL 109  10.402  -5.349  -5.349
  821   3HG2  VAL 109          HG12      VAL 109  11.078  -3.802  -3.802
  822    H    ASN 110           HN       ASN 110  11.106  -5.486  -5.486
  823    HA   ASN 110           HA       ASN 110  13.236  -4.445  -4.445
  824   1HB   ASN 110           HB2      ASN 110  12.062  -6.780  -6.780
  825   2HB   ASN 110           HB1      ASN 110  11.073  -6.165  -6.165
  826   1HD2  ASN 110          HD22      ASN 110  14.594  -7.685  -7.685
  827   2HD2  ASN 110          HD21      ASN 110  13.684  -8.066  -8.066
  828    H    TRP 111           HN       TRP 111   9.760  -4.343  -4.343
  829    HA   TRP 111           HA       TRP 111  10.059  -2.791  -2.791
  830   1HB   TRP 111           HB1      TRP 111   8.086  -4.190  -4.190
  831   2HB   TRP 111           HB2      TRP 111   7.654  -2.643  -2.643
  832    HD1  TRP 111           HD1      TRP 111   7.957  -4.399  -4.399
  833    HE1  TRP 111           HE1      TRP 111   6.717  -3.002  -3.002
  834    HE3  TRP 111           HE3      TRP 111   6.858  -0.241  -0.241
  835    HZ2  TRP 111           HZ2      TRP 111   5.431  -0.457  -0.457
  836    HZ3  TRP 111           HZ3      TRP 111   5.626   1.652   1.652
  837    HH2  TRP 111           HH2      TRP 111   4.912   1.551   1.551
  838    H    LEU 112           HN       LEU 112   9.772  -1.926  -1.926
  839    HA   LEU 112           HA       LEU 112   9.319   0.911   0.911
  840   1HB   LEU 112           HB1      LEU 112   9.511  -0.994  -0.994
  841   2HB   LEU 112           HB2      LEU 112  10.487   0.426   0.426
  842    HG   LEU 112           HG       LEU 112   7.961   1.217   1.217
  843   1HD1  LEU 112          HD13      LEU 112   7.667  -1.113  -1.113
  844   2HD1  LEU 112          HD12      LEU 112   7.408   0.111   0.111
  845   3HD1  LEU 112          HD11      LEU 112   6.405   0.100   0.100
  846   1HD2  LEU 112          HD22      LEU 112   9.403   1.668   1.668
  847   2HD2  LEU 112          HD21      LEU 112   9.226   2.787   2.787
  848   3HD2  LEU 112          HD23      LEU 112   7.834   2.397   2.397
  849    H    LYS 113           HN       LYS 113  12.184  -1.115  -1.115
  850    HA   LYS 113           HA       LYS 113  13.955   1.261   1.261
  851   1HB   LYS 113           HB2      LYS 113  14.029  -1.570  -1.570
  852   2HB   LYS 113           HB1      LYS 113  15.533  -0.993  -0.993
  853   1HG   LYS 113           HG2      LYS 113  15.836   0.659   0.659
  854   2HG   LYS 113           HG1      LYS 113  14.132   0.653   0.653
  855   1HD   LYS 113           HD2      LYS 113  14.348  -1.490  -1.490
  856   2HD   LYS 113           HD1      LYS 113  15.975  -1.710  -1.710
  857   1HE   LYS 113           HE2      LYS 113  16.766  -0.745  -0.745
  858   2HE   LYS 113           HE1      LYS 113  16.007   0.772   0.772
  859   1HZ   LYS 113           HZ1      LYS 113  13.872  -0.193  -0.193
  860   2HZ   LYS 113           HZ3      LYS 113  14.804  -1.393  -1.393
  861   3HZ   LYS 113           HZ2      LYS 113  15.015   0.237   0.237
  862    H    LYS 114           HN       LYS 114  12.387   0.020   0.020
  863    HA   LYS 114           HA       LYS 114  14.378  -1.023  -1.023
  864   1HB   LYS 114           HB2      LYS 114  11.912  -1.353  -1.353
  865   2HB   LYS 114           HB1      LYS 114  11.724   0.362   0.362
  866   1HG   LYS 114           HG2      LYS 114  12.756   0.155   0.155
  867   2HG   LYS 114           HG1      LYS 114  13.560  -1.352  -1.352
  868   1HD   LYS 114           HD2      LYS 114  11.846  -2.530  -2.530
  869   2HD   LYS 114           HD1      LYS 114  10.737  -1.737  -1.737
  870   1HE   LYS 114           HE2      LYS 114  11.007   0.265   0.265
  871   2HE   LYS 114           HE1      LYS 114  11.300  -1.111  -1.111
  872   1HZ   LYS 114           HZ3      LYS 114   9.308  -2.165  -2.165
  873   2HZ   LYS 114           HZ2      LYS 114   8.958  -0.629  -0.629
  874   3HZ   LYS 114           HZ1      LYS 114   8.976  -0.871  -0.871
  875    H    ARG 115           HN       ARG 115  13.134   2.233   2.233
  876    HA   ARG 115           HA       ARG 115  15.176   3.327   3.327
  877   1HB   ARG 115           HB2      ARG 115  12.792   3.647   3.647
  878   2HB   ARG 115           HB1      ARG 115  12.515   4.473   4.473
  879   1HG   ARG 115           HG2      ARG 115  14.813   5.606   5.606
  880   2HG   ARG 115           HG1      ARG 115  13.405   5.631   5.631
  881   1HD   ARG 115           HD2      ARG 115  12.074   6.721   6.721
  882   2HD   ARG 115           HD1      ARG 115  13.516   6.740   6.740
  883    HE   ARG 115           HE       ARG 115  13.505   8.068   8.068
  884   1HH1  ARG 115          HH21      ARG 115  16.051   8.529   8.529
  885   2HH1  ARG 115          HH22      ARG 115  16.065   9.789   9.789
  886   1HH2  ARG 115          HH11      ARG 115  12.702   9.455   9.455
  887   2HH2  ARG 115          HH12      ARG 115  14.169  10.315  10.315
  888    H    THR 116           HN       THR 116  13.646   3.661   3.661
  889    HA   THR 116           HA       THR 116  15.021   6.038   6.038
  890    HB   THR 116           HB       THR 116  14.307   3.930   3.930
  891    HG1  THR 116           HG1      THR 116  12.523   5.020   5.020
  892   1HG2  THR 116          HG22      THR 116  14.219   6.854   6.854
  893   2HG2  THR 116          HG21      THR 116  12.820   6.170   6.170
  894   3HG2  THR 116          HG23      THR 116  14.442   5.889   5.889
  895    H    GLY 117           HN       GLY 117  15.629   2.664   2.664
  896   1HA   GLY 117           HA1      GLY 117  18.343   3.415   3.415
  897   2HA   GLY 117           HA2      GLY 117  17.601   1.827   1.827
  898    HA   PRO 118           HA       PRO 118  20.432   2.055   2.055
  899   1HB   PRO 118           HB2      PRO 118  22.657   0.824   0.824
  900   2HB   PRO 118           HB1      PRO 118  22.431   2.582   2.582
  901   1HG   PRO 118           HG2      PRO 118  22.060   0.581   0.581
  902   2HG   PRO 118           HG1      PRO 118  22.707   2.228   2.228
  903   1HD   PRO 118           HD2      PRO 118  20.169   1.548   1.548
  904   2HD   PRO 118           HD1      PRO 118  20.636   3.168   3.168
  905    H    ALA 119           HN       ALA 119  20.560  -0.505  -0.505
  906    HA   ALA 119           HA       ALA 119  19.146  -2.423  -2.423
  907   1HB   ALA 119           HB1      ALA 119  22.169  -2.501  -2.501
  908   2HB   ALA 119           HB3      ALA 119  21.209  -3.891  -3.891
  909   3HB   ALA 119           HB2      ALA 119  21.198  -2.416  -2.416
  910    H    ALA 120           HN       ALA 120  21.935  -2.819  -2.819
  911    HA   ALA 120           HA       ALA 120  20.168  -4.404  -4.404
  912   1HB   ALA 120           HB2      ALA 120  22.425  -5.143  -5.143
  913   2HB   ALA 120           HB1      ALA 120  23.161  -4.292  -4.292
  914   3HB   ALA 120           HB3      ALA 120  22.081  -5.654  -5.654

  Start of MODEL   14
    1   1H    ASP   1           HT3      ASP   1  -6.291  10.739  10.739
    2   2H    ASP   1           HT2      ASP   1  -7.942  10.629  10.629
    3   3H    ASP   1           HT1      ASP   1  -7.038   9.220   9.220
    4    HA   ASP   1           HA       ASP   1  -8.373   9.671   9.671
    5   1HB   ASP   1           HB2      ASP   1  -7.745  12.315  12.315
    6   2HB   ASP   1           HB1      ASP   1  -7.192  12.161  12.161
    7    H    ALA   2           HN       ALA   2  -6.653   7.940   7.940
    8    HA   ALA   2           HA       ALA   2  -4.516   8.915   8.915
    9   1HB   ALA   2           HB2      ALA   2  -4.367   6.957   6.957
   10   2HB   ALA   2           HB1      ALA   2  -3.100   7.100   7.100
   11   3HB   ALA   2           HB3      ALA   2  -3.482   8.473   8.473
   12    HA   PRO   3           HA       PRO   3  -6.085   5.733   5.733
   13   1HB   PRO   3           HB2      PRO   3  -3.874   5.237   5.237
   14   2HB   PRO   3           HB1      PRO   3  -4.870   6.692   6.692
   15   1HG   PRO   3           HG2      PRO   3  -2.260   6.335   6.335
   16   2HG   PRO   3           HG1      PRO   3  -2.842   7.694   7.694
   17   1HD   PRO   3           HD1      PRO   3  -2.794   7.701   7.701
   18   2HD   PRO   3           HD2      PRO   3  -3.932   8.658   8.658
   19    H    GLU   4           HN       GLU   4  -6.173   3.469   3.469
   20    HA   GLU   4           HA       GLU   4  -4.642   2.060   2.060
   21   1HB   GLU   4           HB1      GLU   4  -7.022   1.637   1.637
   22   2HB   GLU   4           HB2      GLU   4  -6.451   1.041   1.041
   23   1HG   GLU   4           HG1      GLU   4  -6.811  -0.504  -0.504
   24   2HG   GLU   4           HG2      GLU   4  -5.828  -0.954  -0.954
   25    H    GLU   5           HN       GLU   5  -2.684   1.053   1.053
   26    HA   GLU   5           HA       GLU   5  -1.896   0.307   0.307
   27   1HB   GLU   5           HB2      GLU   5  -0.210   1.604   1.604
   28   2HB   GLU   5           HB1      GLU   5   0.362   1.147   1.147
   29   1HG   GLU   5           HG2      GLU   5  -1.567   2.640   2.640
   30   2HG   GLU   5           HG1      GLU   5  -1.604   3.307   3.307
   31    H    GLU   6           HN       GLU   6  -1.358  -1.835  -1.835
   32    HA   GLU   6           HA       GLU   6  -0.484  -3.191  -3.191
   33   1HB   GLU   6           HB1      GLU   6  -1.631  -5.164  -5.164
   34   2HB   GLU   6           HB2      GLU   6  -2.722  -3.823  -3.823
   35   1HG   GLU   6           HG2      GLU   6  -2.687  -3.161  -3.161
   36   2HG   GLU   6           HG1      GLU   6  -1.385  -4.296  -4.296
   37    H    ASP   7           HN       ASP   7   1.267  -4.626  -4.626
   38    HA   ASP   7           HA       ASP   7   3.297  -5.457  -5.457
   39   1HB   ASP   7           HB2      ASP   7   1.069  -5.941  -5.941
   40   2HB   ASP   7           HB1      ASP   7   2.684  -6.147  -6.147
   41    H    HIS   8           HN       HIS   8   3.576  -2.780  -2.780
   42    HA   HIS   8           HA       HIS   8   4.616  -0.940  -0.940
   43   1HB   HIS   8           HB2      HIS   8   5.689  -3.328  -3.328
   44   2HB   HIS   8           HB1      HIS   8   6.399  -1.716  -1.716
   45    HD1  HIS   8           HD1      HIS   8   6.639  -4.821  -4.821
   46    HD2  HIS   8           HD2      HIS   8   7.080  -0.802  -0.802
   47    HE1  HIS   8           HE1      HIS   8   7.926  -4.770  -4.770
   48    H    VAL   9           HN       VAL   9   2.001  -2.079  -2.079
   49    HA   VAL   9           HA       VAL   9   2.235  -0.736  -0.736
   50    HB   VAL   9           HB       VAL   9   0.697  -3.238  -3.238
   51   1HG1  VAL   9          HG12      VAL   9   0.051  -1.393  -1.393
   52   2HG1  VAL   9          HG11      VAL   9   0.976  -2.611  -2.611
   53   3HG1  VAL   9          HG13      VAL   9  -0.459  -3.081  -3.081
   54   1HG2  VAL   9          HG23      VAL   9   3.387  -2.922  -2.922
   55   2HG2  VAL   9          HG22      VAL   9   2.470  -4.427  -4.427
   56   3HG2  VAL   9          HG21      VAL   9   2.588  -3.461  -3.461
   57    H    LEU  10           HN       LEU  10   0.328   0.525   0.525
   58    HA   LEU  10           HA       LEU  10  -1.533   0.924   0.924
   59   1HB   LEU  10           HB1      LEU  10  -1.772   3.216   3.216
   60   2HB   LEU  10           HB2      LEU  10  -0.188   2.859   2.859
   61    HG   LEU  10           HG       LEU  10  -0.470   2.041   2.041
   62   1HD1  LEU  10          HD21      LEU  10  -1.169   4.817   4.817
   63   2HD1  LEU  10          HD23      LEU  10  -0.170   4.627   4.627
   64   3HD1  LEU  10          HD22      LEU  10  -1.768   3.883   3.883
   65   1HD2  LEU  10          HD12      LEU  10   1.431   3.865   3.865
   66   2HD2  LEU  10          HD11      LEU  10   1.679   2.152   2.152
   67   3HD2  LEU  10          HD13      LEU  10   1.667   3.314   3.314
   68    H    VAL  11           HN       VAL  11  -3.643   1.967   1.967
   69    HA   VAL  11           HA       VAL  11  -4.628   0.488   0.488
   70    HB   VAL  11           HB       VAL  11  -6.017   1.189   1.189
   71   1HG1  VAL  11          HG13      VAL  11  -6.937  -0.117  -0.117
   72   2HG1  VAL  11          HG12      VAL  11  -7.717  -0.497  -0.497
   73   3HG1  VAL  11          HG11      VAL  11  -7.722   1.160   1.160
   74   1HG2  VAL  11          HG23      VAL  11  -4.692  -1.280  -1.280
   75   2HG2  VAL  11          HG22      VAL  11  -4.624  -0.598  -0.598
   76   3HG2  VAL  11          HG21      VAL  11  -6.074  -1.444  -1.444
   77    H    LEU  12           HN       LEU  12  -6.302   1.615   1.615
   78    HA   LEU  12           HA       LEU  12  -6.265   4.583   4.583
   79   1HB   LEU  12           HB2      LEU  12  -5.542   2.941   2.941
   80   2HB   LEU  12           HB1      LEU  12  -7.072   3.684   3.684
   81    HG   LEU  12           HG       LEU  12  -6.169   5.910   5.910
   82   1HD1  LEU  12          HD12      LEU  12  -4.028   4.271   4.271
   83   2HD1  LEU  12          HD11      LEU  12  -3.464   5.667   5.667
   84   3HD1  LEU  12          HD13      LEU  12  -4.587   5.888   5.888
   85   1HD2  LEU  12          HD23      LEU  12  -5.076   4.091   4.091
   86   2HD2  LEU  12          HD22      LEU  12  -5.536   5.784   5.784
   87   3HD2  LEU  12          HD21      LEU  12  -3.925   5.362   5.362
   88    H    ARG  13           HN       ARG  13  -8.328   5.638   5.638
   89    HA   ARG  13           HA       ARG  13 -10.738   3.922   3.922
   90   1HB   ARG  13           HB1      ARG  13  -9.689   5.426   5.426
   91   2HB   ARG  13           HB2      ARG  13 -11.294   6.004   6.004
   92   1HG   ARG  13           HG2      ARG  13 -12.250   3.829   3.829
   93   2HG   ARG  13           HG1      ARG  13 -10.662   3.063   3.063
   94   1HD   ARG  13           HD2      ARG  13 -11.404   3.161   3.161
   95   2HD   ARG  13           HD1      ARG  13 -10.252   4.498   4.498
   96    HE   ARG  13           HE       ARG  13 -12.406   5.874   5.874
   97   1HH1  ARG  13          HH21      ARG  13 -14.053   3.348   3.348
   98   2HH1  ARG  13          HH22      ARG  13 -14.603   3.760   3.760
   99   1HH2  ARG  13          HH11      ARG  13 -12.329   6.346   6.346
  100   2HH2  ARG  13          HH12      ARG  13 -13.627   5.458   5.458
  101    H    LYS  14           HN       LYS  14 -12.619   5.941   5.941
  102    HA   LYS  14           HA       LYS  14 -12.762   7.153   7.153
  103   1HB   LYS  14           HB1      LYS  14 -14.242   7.060   7.060
  104   2HB   LYS  14           HB2      LYS  14 -14.454   8.578   8.578
  105   1HG   LYS  14           HG2      LYS  14 -15.133   7.376   7.376
  106   2HG   LYS  14           HG1      LYS  14 -14.806   5.829   5.829
  107   1HD   LYS  14           HD1      LYS  14 -16.731   5.897   5.897
  108   2HD   LYS  14           HD2      LYS  14 -16.640   7.643   7.643
  109   1HE   LYS  14           HE2      LYS  14 -17.055   7.253   7.253
  110   2HE   LYS  14           HE1      LYS  14 -18.189   6.168   6.168
  111   1HZ   LYS  14           HZ1      LYS  14 -18.755   8.044   8.044
  112   2HZ   LYS  14           HZ3      LYS  14 -17.790   9.065   9.065
  113   3HZ   LYS  14           HZ2      LYS  14 -19.173   8.339   8.339
  114    H    SER  15           HN       SER  15 -11.236   8.205   8.205
  115    HA   SER  15           HA       SER  15 -10.707  10.877  10.877
  116   1HB   SER  15           HB2      SER  15 -11.768  10.051  10.051
  117   2HB   SER  15           HB1      SER  15 -10.490  11.261  11.261
  118    HG   SER  15           HG       SER  15 -12.784  11.968  11.968
  119    H    ASN  16           HN       ASN  16  -9.374   8.066   8.066
  120    HA   ASN  16           HA       ASN  16  -6.883   9.172   9.172
  121   1HB   ASN  16           HB1      ASN  16  -8.232   6.614   6.614
  122   2HB   ASN  16           HB2      ASN  16  -6.509   6.486   6.486
  123   1HD2  ASN  16          HD22      ASN  16  -7.354   6.161   6.161
  124   2HD2  ASN  16          HD21      ASN  16  -8.105   5.486   5.486
  125    H    PHE  17           HN       PHE  17  -7.995   7.940   7.940
  126    HA   PHE  17           HA       PHE  17  -5.545   7.522   7.522
  127   1HB   PHE  17           HB2      PHE  17  -7.883   7.042   7.042
  128   2HB   PHE  17           HB1      PHE  17  -8.081   8.765   8.765
  129    HD1  PHE  17           HD2      PHE  17  -6.286   9.888   9.888
  130    HD2  PHE  17           HD1      PHE  17  -6.950   5.649   5.649
  131    HE1  PHE  17           HE2      PHE  17  -5.173   9.611   9.611
  132    HE2  PHE  17           HE1      PHE  17  -5.840   5.371   5.371
  133    HZ   PHE  17           HZ       PHE  17  -4.935   7.356   7.356
  134    H    ALA  18           HN       ALA  18  -7.515  10.499  10.499
  135    HA   ALA  18           HA       ALA  18  -5.586  12.106  12.106
  136   1HB   ALA  18           HB2      ALA  18  -8.108  12.437  12.437
  137   2HB   ALA  18           HB1      ALA  18  -7.459  13.181  13.181
  138   3HB   ALA  18           HB3      ALA  18  -7.067  13.856  13.856
  139    H    GLU  19           HN       GLU  19  -5.736  11.090  11.090
  140    HA   GLU  19           HA       GLU  19  -3.876  13.166  13.166
  141   1HB   GLU  19           HB2      GLU  19  -5.755  12.201  12.201
  142   2HB   GLU  19           HB1      GLU  19  -4.946  10.637  10.637
  143   1HG   GLU  19           HG2      GLU  19  -4.089  11.415  11.415
  144   2HG   GLU  19           HG1      GLU  19  -2.897  12.116  12.116
  145    H    ALA  20           HN       ALA  20  -3.795   9.591   9.591
  146    HA   ALA  20           HA       ALA  20  -1.049   9.253   9.253
  147   1HB   ALA  20           HB2      ALA  20  -3.189   7.663   7.663
  148   2HB   ALA  20           HB1      ALA  20  -2.401   7.444   7.444
  149   3HB   ALA  20           HB3      ALA  20  -1.538   7.045   7.045
  150    H    LEU  21           HN       LEU  21  -2.662  10.198  10.198
  151    HA   LEU  21           HA       LEU  21  -0.481   9.623   9.623
  152   1HB   LEU  21           HB2      LEU  21  -3.119  10.894  10.894
  153   2HB   LEU  21           HB1      LEU  21  -1.997  11.689  11.689
  154    HG   LEU  21           HG       LEU  21  -3.222   9.876   9.876
  155   1HD1  LEU  21          HD22      LEU  21  -0.451  10.298  10.298
  156   2HD1  LEU  21          HD21      LEU  21  -0.640   8.546   8.546
  157   3HD1  LEU  21          HD23      LEU  21  -1.366   9.470   9.470
  158   1HD2  LEU  21          HD12      LEU  21  -2.356   8.400   8.400
  159   2HD2  LEU  21          HD11      LEU  21  -3.765   8.148   8.148
  160   3HD2  LEU  21          HD13      LEU  21  -2.193   7.514   7.514
  161    H    ALA  22           HN       ALA  22  -1.640  12.665  12.665
  162    HA   ALA  22           HA       ALA  22   0.714  14.152  14.152
  163   1HB   ALA  22           HB1      ALA  22  -1.889  14.607  14.607
  164   2HB   ALA  22           HB3      ALA  22  -0.627  15.624  15.624
  165   3HB   ALA  22           HB2      ALA  22  -0.951  15.680  15.680
  166    H    ALA  23           HN       ALA  23  -0.267  12.392  12.392
  167    HA   ALA  23           HA       ALA  23   1.412  13.534  13.534
  168   1HB   ALA  23           HB1      ALA  23   0.221  10.833  10.833
  169   2HB   ALA  23           HB3      ALA  23   1.312  11.021  11.021
  170   3HB   ALA  23           HB2      ALA  23  -0.176  11.967  11.967
  171    H    HIS  24           HN       HIS  24   2.096  10.742  10.742
  172    HA   HIS  24           HA       HIS  24   5.023  11.287  11.287
  173   1HB   HIS  24           HB2      HIS  24   3.604   8.650   8.650
  174   2HB   HIS  24           HB1      HIS  24   5.319   8.859   8.859
  175    HD1  HIS  24           HD1      HIS  24   2.149   8.245   8.245
  176    HD2  HIS  24           HD2      HIS  24   5.731  10.095  10.095
  177    HE1  HIS  24           HE1      HIS  24   2.160   8.388   8.388
  178    H    LYS  25           HN       LYS  25   6.369  10.782  10.782
  179    HA   LYS  25           HA       LYS  25   5.190  11.639  11.639
  180   1HB   LYS  25           HB2      LYS  25   7.823  10.680  10.680
  181   2HB   LYS  25           HB1      LYS  25   7.584  10.661  10.661
  182   1HG   LYS  25           HG1      LYS  25   7.686  12.920  12.920
  183   2HG   LYS  25           HG2      LYS  25   6.635  13.135  13.135
  184   1HD   LYS  25           HD2      LYS  25   9.349  12.095  12.095
  185   2HD   LYS  25           HD1      LYS  25   9.283  13.758  13.758
  186   1HE   LYS  25           HE2      LYS  25   7.940  14.470  14.470
  187   2HE   LYS  25           HE1      LYS  25   7.459  12.810  12.810
  188   1HZ   LYS  25           HZ1      LYS  25  10.290  13.673  13.673
  189   2HZ   LYS  25           HZ3      LYS  25   9.305  13.823  13.823
  190   3HZ   LYS  25           HZ2      LYS  25   9.607  12.288  12.288
  191    H    TYR  26           HN       TYR  26   7.107   8.662   8.662
  192    HA   TYR  26           HA       TYR  26   5.525   7.306   7.306
  193   1HB   TYR  26           HB2      TYR  26   7.575   6.272   6.272
  194   2HB   TYR  26           HB1      TYR  26   7.076   5.464   5.464
  195    HD1  TYR  26           HD2      TYR  26   6.952   7.582   7.582
  196    HD2  TYR  26           HD1      TYR  26   9.784   7.000   7.000
  197    HE1  TYR  26           HE2      TYR  26   8.644   8.878   8.878
  198    HE2  TYR  26           HE1      TYR  26  11.477   8.295   8.295
  199    HH   TYR  26           HH       TYR  26  11.042  10.310  10.310
  200    H    LEU  27           HN       LEU  27   3.707   6.063   6.063
  201    HA   LEU  27           HA       LEU  27   3.250   4.924   4.924
  202   1HB   LEU  27           HB2      LEU  27   2.276   7.321   7.321
  203   2HB   LEU  27           HB1      LEU  27   1.061   6.440   6.440
  204    HG   LEU  27           HG       LEU  27   0.889   4.941   4.941
  205   1HD1  LEU  27          HD12      LEU  27   2.350   7.396   7.396
  206   2HD1  LEU  27          HD11      LEU  27   1.299   6.477   6.477
  207   3HD1  LEU  27          HD13      LEU  27   2.701   5.702   5.702
  208   1HD2  LEU  27          HD22      LEU  27  -0.280   7.556   7.556
  209   2HD2  LEU  27          HD21      LEU  27  -1.080   6.049   6.049
  210   3HD2  LEU  27          HD23      LEU  27  -0.452   7.117   7.117
  211    H    LEU  28           HN       LEU  28   2.497   2.866   2.866
  212    HA   LEU  28           HA       LEU  28   1.444   2.002   2.002
  213   1HB   LEU  28           HB2      LEU  28   3.419   0.975   0.975
  214   2HB   LEU  28           HB1      LEU  28   2.100   0.191   0.191
  215    HG   LEU  28           HG       LEU  28   2.932  -1.237  -1.237
  216   1HD1  LEU  28          HD21      LEU  28   0.384  -0.869  -0.869
  217   2HD1  LEU  28          HD23      LEU  28   0.277  -0.262  -0.262
  218   3HD1  LEU  28          HD22      LEU  28   0.823  -1.912  -1.912
  219   1HD2  LEU  28          HD12      LEU  28   2.981   1.256   1.256
  220   2HD2  LEU  28          HD11      LEU  28   3.516  -0.319  -0.319
  221   3HD2  LEU  28          HD13      LEU  28   1.851   0.199   0.199
  222    H    VAL  29           HN       VAL  29  -0.717   1.458   1.458
  223    HA   VAL  29           HA       VAL  29  -2.272   1.104   1.104
  224    HB   VAL  29           HB       VAL  29  -3.069   2.581   2.581
  225   1HG1  VAL  29          HG21      VAL  29  -4.960   1.549   1.549
  226   2HG1  VAL  29          HG23      VAL  29  -4.429   2.327   2.327
  227   3HG1  VAL  29          HG22      VAL  29  -5.003   3.306   3.306
  228   1HG2  VAL  29          HG12      VAL  29  -1.310   3.745   3.745
  229   2HG2  VAL  29          HG11      VAL  29  -2.848   4.604   4.604
  230   3HG2  VAL  29          HG13      VAL  29  -2.309   3.622   3.622
  231    H    GLU  30           HN       GLU  30  -3.430  -0.760  -0.760
  232    HA   GLU  30           HA       GLU  30  -3.852  -2.228  -2.228
  233   1HB   GLU  30           HB1      GLU  30  -2.518  -3.372  -3.372
  234   2HB   GLU  30           HB2      GLU  30  -3.777  -3.099  -3.099
  235   1HG   GLU  30           HG2      GLU  30  -5.138  -4.740  -4.740
  236   2HG   GLU  30           HG1      GLU  30  -4.606  -4.467  -4.467
  237    H    PHE  31           HN       PHE  31  -5.978  -2.864  -2.864
  238    HA   PHE  31           HA       PHE  31  -8.147  -1.782  -1.782
  239   1HB   PHE  31           HB1      PHE  31  -7.665  -1.898  -1.898
  240   2HB   PHE  31           HB2      PHE  31  -9.303  -1.729  -1.729
  241    HD1  PHE  31           HD1      PHE  31  -9.963   0.282   0.282
  242    HD2  PHE  31           HD2      PHE  31  -6.016  -0.144  -0.144
  243    HE1  PHE  31           HE1      PHE  31  -9.553   2.701   2.701
  244    HE2  PHE  31           HE2      PHE  31  -5.604   2.273   2.273
  245    HZ   PHE  31           HZ       PHE  31  -7.372   3.697   3.697
  246    H    TYR  32           HN       TYR  32  -8.871  -3.659  -3.659
  247    HA   TYR  32           HA       TYR  32 -10.240  -5.652  -5.652
  248   1HB   TYR  32           HB1      TYR  32  -8.912  -7.533  -7.533
  249   2HB   TYR  32           HB2      TYR  32  -7.793  -6.305  -6.305
  250    HD1  TYR  32           HD2      TYR  32  -7.075  -4.547  -4.547
  251    HD2  TYR  32           HD1      TYR  32  -8.369  -8.590  -8.590
  252    HE1  TYR  32           HE2      TYR  32  -5.921  -4.562  -4.562
  253    HE2  TYR  32           HE1      TYR  32  -7.216  -8.603  -8.603
  254    HH   TYR  32           HH       TYR  32  -6.471  -6.273  -6.273
  255    H    ALA  33           HN       ALA  33 -10.505  -7.629  -7.629
  256    HA   ALA  33           HA       ALA  33 -11.787  -6.136  -6.136
  257   1HB   ALA  33           HB2      ALA  33 -13.238  -6.993  -6.993
  258   2HB   ALA  33           HB1      ALA  33 -13.029  -8.570  -8.570
  259   3HB   ALA  33           HB3      ALA  33 -13.810  -7.260  -7.260
  260    HA   PRO  34           HA       PRO  34  -9.947  -9.183  -9.183
  261   1HB   PRO  34           HB1      PRO  34 -11.902  -9.653  -9.653
  262   2HB   PRO  34           HB2      PRO  34 -10.933  -8.167  -8.167
  263   1HG   PRO  34           HG2      PRO  34 -13.693  -8.664  -8.664
  264   2HG   PRO  34           HG1      PRO  34 -13.053  -7.260  -7.260
  265   1HD   PRO  34           HD1      PRO  34 -13.420  -7.266  -7.266
  266   2HD   PRO  34           HD2      PRO  34 -12.133  -6.333  -6.333
  267    H    TRP  35           HN       TRP  35 -12.916  -9.877  -9.877
  268    HA   TRP  35           HA       TRP  35 -12.651 -12.795 -12.795
  269   1HB   TRP  35           HB2      TRP  35 -14.979 -12.875 -12.875
  270   2HB   TRP  35           HB1      TRP  35 -14.808 -11.664 -11.664
  271    HD1  TRP  35           HD1      TRP  35 -15.121  -9.149  -9.149
  272    HE1  TRP  35           HE1      TRP  35 -15.960  -7.955  -7.955
  273    HE3  TRP  35           HE3      TRP  35 -15.012 -13.044 -13.044
  274    HZ2  TRP  35           HZ2      TRP  35 -16.514  -8.570  -8.570
  275    HZ3  TRP  35           HZ3      TRP  35 -15.701 -12.711 -12.711
  276    HH2  TRP  35           HH2      TRP  35 -16.450 -10.483 -10.483
  277    H    CYS  36           HN       CYS  36 -11.609 -10.615 -10.615
  278    HA   CYS  36           HA       CYS  36 -12.287 -11.655 -11.655
  279   1HB   CYS  36           HB2      CYS  36 -10.971  -9.623  -9.623
  280   2HB   CYS  36           HB1      CYS  36  -9.645 -10.591 -10.591
  281    H    GLY  37           HN       GLY  37 -11.566 -13.420 -13.420
  282   1HA   GLY  37           HA2      GLY  37 -10.291 -15.606 -15.606
  283   2HA   GLY  37           HA1      GLY  37 -10.911 -15.696 -15.696
  284    H    HIS  38           HN       HIS  38  -8.222 -16.429 -16.429
  285    HA   HIS  38           HA       HIS  38  -5.959 -16.370 -16.370
  286   1HB   HIS  38           HB2      HIS  38  -7.503 -16.487 -16.487
  287   2HB   HIS  38           HB1      HIS  38  -6.752 -14.919 -14.919
  288    HD1  HIS  38           HD1      HIS  38  -5.342 -15.935 -15.935
  289    HD2  HIS  38           HD2      HIS  38  -4.560 -17.644 -17.644
  290    HE1  HIS  38           HE1      HIS  38  -3.204 -17.268 -17.268
  291    H    CYS  39           HN       CYS  39  -7.443 -13.831 -13.831
  292    HA   CYS  39           HA       CYS  39  -5.566 -11.730 -11.730
  293   1HB   CYS  39           HB2      CYS  39  -8.212 -11.911 -11.911
  294   2HB   CYS  39           HB1      CYS  39  -7.208 -10.532 -10.532
  295    H    LYS  40           HN       LYS  40  -5.616 -14.099 -14.099
  296    HA   LYS  40           HA       LYS  40  -4.245 -12.409 -12.409
  297   1HB   LYS  40           HB2      LYS  40  -4.610 -14.433 -14.433
  298   2HB   LYS  40           HB1      LYS  40  -6.115 -13.840 -13.840
  299   1HG   LYS  40           HG1      LYS  40  -4.774 -15.718 -15.718
  300   2HG   LYS  40           HG2      LYS  40  -5.106 -16.440 -16.440
  301   1HD   LYS  40           HD2      LYS  40  -7.303 -14.818 -14.818
  302   2HD   LYS  40           HD1      LYS  40  -6.937 -16.320 -16.320
  303   1HE   LYS  40           HE2      LYS  40  -7.027 -17.482 -17.482
  304   2HE   LYS  40           HE1      LYS  40  -7.741 -15.981 -15.981
  305   1HZ   LYS  40           HZ3      LYS  40  -8.741 -17.418 -17.418
  306   2HZ   LYS  40           HZ2      LYS  40  -9.407 -17.603 -17.603
  307   3HZ   LYS  40           HZ1      LYS  40  -9.464 -16.094 -16.094
  308    H    ALA  41           HN       ALA  41  -3.651 -14.830 -14.830
  309    HA   ALA  41           HA       ALA  41  -1.296 -16.076 -16.076
  310   1HB   ALA  41           HB3      ALA  41  -2.620 -16.676 -16.676
  311   2HB   ALA  41           HB2      ALA  41  -2.022 -15.223 -15.223
  312   3HB   ALA  41           HB1      ALA  41  -0.903 -16.516 -16.516
  313    H    LEU  42           HN       LEU  42  -1.758 -12.918 -12.918
  314    HA   LEU  42           HA       LEU  42   1.168 -12.406 -12.406
  315   1HB   LEU  42           HB1      LEU  42  -0.210 -11.845 -11.845
  316   2HB   LEU  42           HB2      LEU  42  -1.234 -10.817 -10.817
  317    HG   LEU  42           HG       LEU  42   1.531 -10.091 -10.091
  318   1HD1  LEU  42          HD13      LEU  42   1.333 -11.130 -11.130
  319   2HD1  LEU  42          HD12      LEU  42   0.716  -9.512  -9.512
  320   3HD1  LEU  42          HD11      LEU  42   2.329  -9.717  -9.717
  321   1HD2  LEU  42          HD21      LEU  42  -1.064  -8.859  -8.859
  322   2HD2  LEU  42          HD23      LEU  42   0.085  -8.370  -8.370
  323   3HD2  LEU  42          HD22      LEU  42   0.395  -7.971  -7.971
  324    H    ALA  43           HN       ALA  43  -1.589 -11.841 -11.841
  325    HA   ALA  43           HA       ALA  43  -1.220  -9.348  -9.348
  326   1HB   ALA  43           HB3      ALA  43  -2.517 -11.814 -11.814
  327   2HB   ALA  43           HB2      ALA  43  -1.688 -11.343 -11.343
  328   3HB   ALA  43           HB1      ALA  43  -2.848 -10.245 -10.245
  329    HA   PRO  44           HA       PRO  44   2.069 -11.066 -11.066
  330   1HB   PRO  44           HB2      PRO  44   3.102 -13.559 -13.559
  331   2HB   PRO  44           HB1      PRO  44   1.679 -13.267 -13.267
  332   1HG   PRO  44           HG2      PRO  44   1.845 -14.234 -14.234
  333   2HG   PRO  44           HG1      PRO  44   0.732 -14.706 -14.706
  334   1HD   PRO  44           HD1      PRO  44   0.078 -13.005 -13.005
  335   2HD   PRO  44           HD2      PRO  44  -0.715 -13.003 -13.003
  336    H    GLU  45           HN       GLU  45   2.190 -11.126 -11.126
  337    HA   GLU  45           HA       GLU  45   5.168 -11.171 -11.171
  338   1HB   GLU  45           HB2      GLU  45   3.037 -10.996 -10.996
  339   2HB   GLU  45           HB1      GLU  45   4.757 -11.291 -11.291
  340   1HG   GLU  45           HG1      GLU  45   4.399 -13.495 -13.495
  341   2HG   GLU  45           HG2      GLU  45   3.870 -13.184 -13.184
  342    H    TYR  46           HN       TYR  46   2.355  -9.114  -9.114
  343    HA   TYR  46           HA       TYR  46   3.893  -6.808  -6.808
  344   1HB   TYR  46           HB2      TYR  46   1.741  -6.794  -6.794
  345   2HB   TYR  46           HB1      TYR  46   1.079  -7.628  -7.628
  346    HD1  TYR  46           HD2      TYR  46   1.978  -4.371  -4.371
  347    HD2  TYR  46           HD1      TYR  46   0.344  -6.385  -6.385
  348    HE1  TYR  46           HE2      TYR  46   1.144  -2.212  -2.212
  349    HE2  TYR  46           HE1      TYR  46  -0.496  -4.222  -4.222
  350    HH   TYR  46           HH       TYR  46   0.412  -1.187  -1.187
  351    H    ALA  47           HN       ALA  47   3.152  -8.237  -8.237
  352    HA   ALA  47           HA       ALA  47   3.383  -5.708  -5.708
  353   1HB   ALA  47           HB2      ALA  47   1.825  -7.537  -7.537
  354   2HB   ALA  47           HB1      ALA  47   3.202  -8.614  -8.614
  355   3HB   ALA  47           HB3      ALA  47   2.991  -7.212  -7.212
  356    H    LYS  48           HN       LYS  48   5.417  -8.384  -8.384
  357    HA   LYS  48           HA       LYS  48   7.515  -7.909  -7.909
  358   1HB   LYS  48           HB2      LYS  48   7.303  -9.449  -9.449
  359   2HB   LYS  48           HB1      LYS  48   8.738  -9.482  -9.482
  360   1HG   LYS  48           HG2      LYS  48   5.941 -10.314 -10.314
  361   2HG   LYS  48           HG1      LYS  48   7.296 -11.399 -11.399
  362   1HD   LYS  48           HD2      LYS  48   8.470  -9.804  -9.804
  363   2HD   LYS  48           HD1      LYS  48   6.797  -9.608  -9.608
  364   1HE   LYS  48           HE2      LYS  48   6.607 -12.146 -12.146
  365   2HE   LYS  48           HE1      LYS  48   8.367 -12.195 -12.195
  366   1HZ   LYS  48           HZ2      LYS  48   8.433 -10.545 -10.545
  367   2HZ   LYS  48           HZ1      LYS  48   6.834 -11.019 -11.019
  368   3HZ   LYS  48           HZ3      LYS  48   8.086 -12.162 -12.162
  369    H    ALA  49           HN       ALA  49   6.717  -6.734  -6.734
  370    HA   ALA  49           HA       ALA  49   9.331  -5.649  -5.649
  371   1HB   ALA  49           HB3      ALA  49   7.064  -6.215  -6.215
  372   2HB   ALA  49           HB2      ALA  49   6.847  -4.479  -4.479
  373   3HB   ALA  49           HB1      ALA  49   8.280  -5.091  -5.091
  374    H    ALA  50           HN       ALA  50   6.661  -4.583  -4.583
  375    HA   ALA  50           HA       ALA  50   7.316  -1.733  -1.733
  376   1HB   ALA  50           HB3      ALA  50   5.086  -3.037  -3.037
  377   2HB   ALA  50           HB2      ALA  50   5.723  -3.105  -3.105
  378   3HB   ALA  50           HB1      ALA  50   5.432  -1.545  -1.545
  379    H    GLY  51           HN       GLY  51   8.163  -4.498  -4.498
  380   1HA   GLY  51           HA2      GLY  51   9.387  -2.808  -2.808
  381   2HA   GLY  51           HA1      GLY  51   9.389  -4.570  -4.570
  382    H    LYS  52           HN       LYS  52  10.347  -4.020  -4.020
  383    HA   LYS  52           HA       LYS  52  13.142  -4.529  -4.529
  384   1HB   LYS  52           HB2      LYS  52  11.517  -3.844  -3.844
  385   2HB   LYS  52           HB1      LYS  52  13.231  -4.254  -4.254
  386   1HG   LYS  52           HG1      LYS  52  11.495  -6.114  -6.114
  387   2HG   LYS  52           HG2      LYS  52  11.284  -6.110  -6.110
  388   1HD   LYS  52           HD2      LYS  52  13.977  -6.133  -6.133
  389   2HD   LYS  52           HD1      LYS  52  13.628  -6.959  -6.959
  390   1HE   LYS  52           HE2      LYS  52  12.226  -7.791  -7.791
  391   2HE   LYS  52           HE1      LYS  52  13.833  -8.427  -8.427
  392   1HZ   LYS  52           HZ2      LYS  52  11.598  -8.391  -8.391
  393   2HZ   LYS  52           HZ1      LYS  52  11.881  -9.714  -9.714
  394   3HZ   LYS  52           HZ3      LYS  52  13.060  -9.252  -9.252
  395    H    LEU  53           HN       LEU  53  11.260  -1.646  -1.646
  396    HA   LEU  53           HA       LEU  53  13.581   0.021   0.021
  397   1HB   LEU  53           HB1      LEU  53  11.876   1.785   1.785
  398   2HB   LEU  53           HB2      LEU  53  11.285   0.349   0.349
  399    HG   LEU  53           HG       LEU  53  10.388  -0.205  -0.205
  400   1HD1  LEU  53          HD13      LEU  53  11.020   2.683   2.683
  401   2HD1  LEU  53          HD12      LEU  53   9.400   2.287   2.287
  402   3HD1  LEU  53          HD11      LEU  53  10.813   1.600   1.600
  403   1HD2  LEU  53          HD21      LEU  53   9.172   0.131   0.131
  404   2HD2  LEU  53          HD23      LEU  53   8.244   0.396   0.396
  405   3HD2  LEU  53          HD22      LEU  53   8.871   1.772   1.772
  406    H    LYS  54           HN       LYS  54  11.734  -0.820  -0.820
  407    HA   LYS  54           HA       LYS  54  12.434   1.336   1.336
  408   1HB   LYS  54           HB2      LYS  54  10.815  -0.647  -0.647
  409   2HB   LYS  54           HB1      LYS  54  12.226  -1.571  -1.571
  410   1HG   LYS  54           HG2      LYS  54  12.528  -0.301  -0.301
  411   2HG   LYS  54           HG1      LYS  54  11.701   1.104   1.104
  412   1HD   LYS  54           HD2      LYS  54  10.247   0.106   0.106
  413   2HD   LYS  54           HD1      LYS  54   9.559  -0.215  -0.215
  414   1HE   LYS  54           HE2      LYS  54   9.663  -2.440  -2.440
  415   2HE   LYS  54           HE1      LYS  54  11.412  -2.324  -2.324
  416   1HZ   LYS  54           HZ2      LYS  54  10.818  -1.359  -1.359
  417   2HZ   LYS  54           HZ1      LYS  54   9.232  -1.903  -1.903
  418   3HZ   LYS  54           HZ3      LYS  54  10.506  -3.018  -3.018
  419    H    ALA  55           HN       ALA  55  14.235  -1.579  -1.579
  420    HA   ALA  55           HA       ALA  55  16.376  -1.186  -1.186
  421   1HB   ALA  55           HB2      ALA  55  15.533  -3.298  -3.298
  422   2HB   ALA  55           HB1      ALA  55  16.552  -2.717  -2.717
  423   3HB   ALA  55           HB3      ALA  55  17.270  -3.112  -3.112
  424    H    GLU  56           HN       GLU  56  15.604   0.246   0.246
  425    HA   GLU  56           HA       GLU  56  18.427   1.179   1.179
  426   1HB   GLU  56           HB1      GLU  56  16.143   0.479   0.479
  427   2HB   GLU  56           HB2      GLU  56  17.128   1.845   1.845
  428   1HG   GLU  56           HG2      GLU  56  18.288  -0.834  -0.834
  429   2HG   GLU  56           HG1      GLU  56  17.914  -0.400  -0.400
  430    H    GLY  57           HN       GLY  57  15.059   2.328   2.328
  431   1HA   GLY  57           HA1      GLY  57  14.400   4.393   4.393
  432   2HA   GLY  57           HA2      GLY  57  16.017   5.020   5.020
  433    H    SER  58           HN       SER  58  14.256   3.248   3.248
  434    HA   SER  58           HA       SER  58  14.522   5.328   5.328
  435   1HB   SER  58           HB2      SER  58  14.211   2.775   2.775
  436   2HB   SER  58           HB1      SER  58  12.489   3.092   3.092
  437    HG   SER  58           HG       SER  58  14.154   3.642   3.642
  438    H    GLU  59           HN       GLU  59  12.648   6.423   6.423
  439    HA   GLU  59           HA       GLU  59  10.677   7.371   7.371
  440   1HB   GLU  59           HB2      GLU  59  10.465   9.245   9.245
  441   2HB   GLU  59           HB1      GLU  59  12.136   8.997   8.997
  442   1HG   GLU  59           HG2      GLU  59  12.759   8.140   8.140
  443   2HG   GLU  59           HG1      GLU  59  11.139   7.539   7.539
  444    H    ILE  60           HN       ILE  60  10.305   4.775   4.775
  445    HA   ILE  60           HA       ILE  60   8.011   5.334   5.334
  446    HB   ILE  60           HB       ILE  60   8.385   2.931   2.931
  447   1HG1  ILE  60          HG11      ILE  60  10.880   3.130   3.130
  448   2HG1  ILE  60          HG12      ILE  60   9.393   2.389   2.389
  449   1HG2  ILE  60          HG22      ILE  60   9.533   4.863   4.863
  450   2HG2  ILE  60          HG21      ILE  60  10.925   4.583   4.583
  451   3HG2  ILE  60          HG23      ILE  60  10.417   3.340   3.340
  452   1HD1  ILE  60          HD11      ILE  60   9.438   0.853   0.853
  453   2HD1  ILE  60          HD13      ILE  60  10.987   1.553   1.553
  454   3HD1  ILE  60          HD12      ILE  60  10.844   0.664   0.664
  455    H    ARG  61           HN       ARG  61   5.966   4.349   4.349
  456    HA   ARG  61           HA       ARG  61   5.740   2.971   2.971
  457   1HB   ARG  61           HB2      ARG  61   4.532   5.504   5.504
  458   2HB   ARG  61           HB1      ARG  61   3.512   4.471   4.471
  459   1HG   ARG  61           HG2      ARG  61   6.117   4.605   4.605
  460   2HG   ARG  61           HG1      ARG  61   5.568   6.247   6.247
  461   1HD   ARG  61           HD2      ARG  61   3.324   5.526   5.526
  462   2HD   ARG  61           HD1      ARG  61   4.234   4.143   4.143
  463    HE   ARG  61           HE       ARG  61   4.564   6.929   6.929
  464   1HH1  ARG  61          HH11      ARG  61   7.283   6.690   6.690
  465   2HH1  ARG  61          HH12      ARG  61   7.929   5.706   5.706
  466   1HH2  ARG  61          HH21      ARG  61   4.847   4.421   4.421
  467   2HH2  ARG  61          HH22      ARG  61   6.551   4.423   4.423
  468    H    LEU  62           HN       LEU  62   3.949   1.524   1.524
  469    HA   LEU  62           HA       LEU  62   2.655   0.833   0.833
  470   1HB   LEU  62           HB2      LEU  62   3.654  -0.754  -0.754
  471   2HB   LEU  62           HB1      LEU  62   2.481  -1.448  -1.448
  472    HG   LEU  62           HG       LEU  62   4.120  -0.718  -0.718
  473   1HD1  LEU  62          HD11      LEU  62   5.710  -0.267  -0.267
  474   2HD1  LEU  62          HD13      LEU  62   6.538  -0.867  -0.867
  475   3HD1  LEU  62          HD12      LEU  62   5.684   0.674   0.674
  476   1HD2  LEU  62          HD21      LEU  62   4.897  -2.887  -2.887
  477   2HD2  LEU  62          HD23      LEU  62   3.755  -3.065  -3.065
  478   3HD2  LEU  62          HD22      LEU  62   5.464  -2.782  -2.782
  479    H    ALA  63           HN       ALA  63   0.373   0.327   0.327
  480    HA   ALA  63           HA       ALA  63  -1.013   0.608   0.608
  481   1HB   ALA  63           HB2      ALA  63  -0.640   2.895   2.895
  482   2HB   ALA  63           HB1      ALA  63  -1.526   2.428   2.428
  483   3HB   ALA  63           HB3      ALA  63  -2.354   2.493   2.493
  484    H    LYS  64           HN       LYS  64  -3.397   0.131   0.131
  485    HA   LYS  64           HA       LYS  64  -4.044  -1.414  -1.414
  486   1HB   LYS  64           HB2      LYS  64  -4.945  -3.187  -3.187
  487   2HB   LYS  64           HB1      LYS  64  -3.205  -2.962  -2.962
  488   1HG   LYS  64           HG2      LYS  64  -3.496  -1.657  -1.657
  489   2HG   LYS  64           HG1      LYS  64  -5.244  -1.590  -1.590
  490   1HD   LYS  64           HD2      LYS  64  -5.221  -3.358  -3.358
  491   2HD   LYS  64           HD1      LYS  64  -4.873  -4.275  -4.275
  492   1HE   LYS  64           HE2      LYS  64  -3.190  -4.943  -4.943
  493   2HE   LYS  64           HE1      LYS  64  -2.381  -3.779  -3.779
  494   1HZ   LYS  64           HZ3      LYS  64  -3.753  -3.069  -3.069
  495   2HZ   LYS  64           HZ2      LYS  64  -2.073  -3.277  -3.277
  496   3HZ   LYS  64           HZ1      LYS  64  -2.855  -2.024  -2.024
  497    H    VAL  65           HN       VAL  65  -6.427  -1.759  -1.759
  498    HA   VAL  65           HA       VAL  65  -8.064   0.152   0.152
  499    HB   VAL  65           HB       VAL  65  -7.992  -0.212  -0.212
  500   1HG1  VAL  65          HG12      VAL  65 -10.296   0.156   0.156
  501   2HG1  VAL  65          HG11      VAL  65  -9.740   1.586   1.586
  502   3HG1  VAL  65          HG13      VAL  65  -9.709   1.560   1.560
  503   1HG2  VAL  65          HG23      VAL  65  -6.672   1.585   1.585
  504   2HG2  VAL  65          HG22      VAL  65  -6.400   1.382   1.382
  505   3HG2  VAL  65          HG21      VAL  65  -7.659   2.476   2.476
  506    H    ASP  66           HN       ASP  66 -10.385  -0.367  -0.367
  507    HA   ASP  66           HA       ASP  66 -10.868  -3.288  -3.288
  508   1HB   ASP  66           HB2      ASP  66 -11.773  -1.202  -1.202
  509   2HB   ASP  66           HB1      ASP  66 -12.894  -2.511  -2.511
  510    H    ALA  67           HN       ALA  67 -11.535  -3.199  -3.199
  511    HA   ALA  67           HA       ALA  67 -13.122  -1.318  -1.318
  512   1HB   ALA  67           HB2      ALA  67 -12.239  -4.020  -4.020
  513   2HB   ALA  67           HB1      ALA  67 -13.941  -3.952  -3.952
  514   3HB   ALA  67           HB3      ALA  67 -12.772  -2.903  -2.903
  515    H    THR  68           HN       THR  68 -14.104  -3.652  -3.652
  516    HA   THR  68           HA       THR  68 -16.985  -3.191  -3.191
  517    HB   THR  68           HB       THR  68 -16.120  -5.446  -5.446
  518    HG1  THR  68           HG1      THR  68 -18.203  -4.719  -4.719
  519   1HG2  THR  68          HG23      THR  68 -14.930  -3.994  -3.994
  520   2HG2  THR  68          HG22      THR  68 -15.445  -5.661  -5.661
  521   3HG2  THR  68          HG21      THR  68 -14.247  -5.286  -5.286
  522    H    GLU  69           HN       GLU  69 -14.939  -1.147  -1.147
  523    HA   GLU  69           HA       GLU  69 -16.705  -0.324  -0.324
  524   1HB   GLU  69           HB2      GLU  69 -14.669  -1.600  -1.600
  525   2HB   GLU  69           HB1      GLU  69 -13.671  -0.344  -0.344
  526   1HG   GLU  69           HG2      GLU  69 -14.662   1.345   1.345
  527   2HG   GLU  69           HG1      GLU  69 -15.774   0.153   0.153
  528    H    GLU  70           HN       GLU  70 -13.900   0.645   0.645
  529    HA   GLU  70           HA       GLU  70 -15.177   3.344   3.344
  530   1HB   GLU  70           HB1      GLU  70 -12.896   4.285   4.285
  531   2HB   GLU  70           HB2      GLU  70 -13.356   3.346   3.346
  532   1HG   GLU  70           HG1      GLU  70 -12.098   1.698   1.698
  533   2HG   GLU  70           HG2      GLU  70 -11.041   2.997   2.997
  534    H    SER  71           HN       SER  71 -15.799   1.861   1.861
  535    HA   SER  71           HA       SER  71 -13.732   1.572   1.572
  536   1HB   SER  71           HB2      SER  71 -16.022   1.208   1.208
  537   2HB   SER  71           HB1      SER  71 -15.419  -0.006  -0.006
  538    HG   SER  71           HG       SER  71 -17.656   1.507   1.507
  539    H    ASP  72           HN       ASP  72 -15.785   4.130   4.130
  540    HA   ASP  72           HA       ASP  72 -16.482   5.606   5.606
  541   1HB   ASP  72           HB1      ASP  72 -16.056   5.991   5.991
  542   2HB   ASP  72           HB2      ASP  72 -15.285   7.342   7.342
  543    H    LEU  73           HN       LEU  73 -13.227   5.042   5.042
  544    HA   LEU  73           HA       LEU  73 -12.152   6.988   6.988
  545   1HB   LEU  73           HB1      LEU  73 -10.001   6.522   6.522
  546   2HB   LEU  73           HB2      LEU  73 -11.275   7.354   7.354
  547    HG   LEU  73           HG       LEU  73 -11.336   4.390   4.390
  548   1HD1  LEU  73          HD21      LEU  73  -8.854   5.522   5.522
  549   2HD1  LEU  73          HD23      LEU  73  -9.457   5.639   5.639
  550   3HD1  LEU  73          HD22      LEU  73  -9.368   4.067   4.067
  551   1HD2  LEU  73          HD11      LEU  73 -12.817   6.118   6.118
  552   2HD2  LEU  73          HD13      LEU  73 -12.105   4.850   4.850
  553   3HD2  LEU  73          HD12      LEU  73 -11.396   6.463   6.463
  554    H    ALA  74           HN       ALA  74 -12.536   3.607   3.607
  555    HA   ALA  74           HA       ALA  74 -10.385   2.781   2.781
  556   1HB   ALA  74           HB3      ALA  74 -11.446   1.644   1.644
  557   2HB   ALA  74           HB2      ALA  74 -12.590   1.000   1.000
  558   3HB   ALA  74           HB1      ALA  74 -10.868   0.650   0.650
  559    H    GLN  75           HN       GLN  75 -13.927   3.044   3.044
  560    HA   GLN  75           HA       GLN  75 -14.389   1.849   1.849
  561   1HB   GLN  75           HB2      GLN  75 -16.024   2.330   2.330
  562   2HB   GLN  75           HB1      GLN  75 -15.986   4.020   4.020
  563   1HG   GLN  75           HG2      GLN  75 -17.759   3.329   3.329
  564   2HG   GLN  75           HG1      GLN  75 -16.455   2.884   2.884
  565   1HE2  GLN  75          HE22      GLN  75 -18.234  -0.255  -0.255
  566   2HE2  GLN  75          HE21      GLN  75 -18.155   1.213   1.213
  567    H    GLN  76           HN       GLN  76 -13.293   5.000   5.000
  568    HA   GLN  76           HA       GLN  76 -13.940   6.558   6.558
  569   1HB   GLN  76           HB2      GLN  76 -12.560   6.794   6.794
  570   2HB   GLN  76           HB1      GLN  76 -11.390   7.231   7.231
  571   1HG   GLN  76           HG1      GLN  76 -12.397   9.227   9.227
  572   2HG   GLN  76           HG2      GLN  76 -13.911   8.421   8.421
  573   1HE2  GLN  76          HE22      GLN  76 -15.397   9.391   9.391
  574   2HE2  GLN  76          HE21      GLN  76 -15.584   8.968   8.968
  575    H    TYR  77           HN       TYR  77 -11.348   4.247   4.247
  576    HA   TYR  77           HA       TYR  77  -9.934   4.972   4.972
  577   1HB   TYR  77           HB2      TYR  77  -9.518   3.115   3.115
  578   2HB   TYR  77           HB1      TYR  77  -8.538   2.939   2.939
  579    HD1  TYR  77           HD2      TYR  77  -7.382   5.081   5.081
  580    HD2  TYR  77           HD1      TYR  77  -8.939   4.714   4.714
  581    HE1  TYR  77           HE2      TYR  77  -5.947   6.967   6.967
  582    HE2  TYR  77           HE1      TYR  77  -7.504   6.598   6.598
  583    HH   TYR  77           HH       TYR  77  -5.079   7.998   7.998
  584    H    GLY  78           HN       GLY  78 -12.016   2.444   2.444
  585   1HA   GLY  78           HA1      GLY  78 -13.446   1.464   1.464
  586   2HA   GLY  78           HA2      GLY  78 -11.879   1.001   1.001
  587    H    VAL  79           HN       VAL  79 -10.459  -0.229  -0.229
  588    HA   VAL  79           HA       VAL  79 -10.202  -2.297  -2.297
  589    HB   VAL  79           HB       VAL  79 -12.380  -0.934  -0.934
  590   1HG1  VAL  79          HG11      VAL  79 -11.576  -3.410  -3.410
  591   2HG1  VAL  79          HG13      VAL  79 -10.164  -2.610  -2.610
  592   3HG1  VAL  79          HG12      VAL  79 -11.768  -2.291  -2.291
  593   1HG2  VAL  79          HG23      VAL  79  -9.361  -0.636  -0.636
  594   2HG2  VAL  79          HG22      VAL  79 -10.538   0.605   0.605
  595   3HG2  VAL  79          HG21      VAL  79 -10.431   0.031   0.031
  596    H    ARG  80           HN       ARG  80 -11.098  -3.742  -3.742
  597    HA   ARG  80           HA       ARG  80 -13.987  -4.315  -4.315
  598   1HB   ARG  80           HB2      ARG  80 -11.614  -4.795  -4.795
  599   2HB   ARG  80           HB1      ARG  80 -12.634  -6.229  -6.229
  600   1HG   ARG  80           HG2      ARG  80 -13.739  -3.490  -3.490
  601   2HG   ARG  80           HG1      ARG  80 -13.206  -4.626  -4.626
  602   1HD   ARG  80           HD2      ARG  80 -15.121  -5.589  -5.589
  603   2HD   ARG  80           HD1      ARG  80 -15.739  -4.629  -4.629
  604    HE   ARG  80           HE       ARG  80 -13.950  -6.930  -6.930
  605   1HH1  ARG  80          HH21      ARG  80 -14.804  -6.612  -6.612
  606   2HH1  ARG  80          HH22      ARG  80 -16.443  -7.151  -7.151
  607   1HH2  ARG  80          HH11      ARG  80 -17.034  -7.112  -7.112
  608   2HH2  ARG  80          HH12      ARG  80 -17.707  -7.434  -7.434
  609    H    GLY  81           HN       GLY  81 -11.071  -5.601  -5.601
  610   1HA   GLY  81           HA2      GLY  81 -12.669  -7.503  -7.503
  611   2HA   GLY  81           HA1      GLY  81 -11.498  -8.252  -8.252
  612    H    TYR  82           HN       TYR  82 -11.378  -8.422  -8.422
  613    HA   TYR  82           HA       TYR  82  -9.122  -6.607  -6.607
  614   1HB   TYR  82           HB2      TYR  82 -10.595  -8.611  -8.611
  615   2HB   TYR  82           HB1      TYR  82  -9.652  -7.222  -7.222
  616    HD1  TYR  82           HD1      TYR  82 -10.703  -5.209  -5.209
  617    HD2  TYR  82           HD2      TYR  82 -12.700  -8.077  -8.077
  618    HE1  TYR  82           HE1      TYR  82 -12.757  -3.818  -3.818
  619    HE2  TYR  82           HE2      TYR  82 -14.751  -6.685  -6.685
  620    HH   TYR  82           HH       TYR  82 -15.387  -4.361  -4.361
  621    HA   PRO  83           HA       PRO  83  -7.848  -6.660  -6.660
  622   1HB   PRO  83           HB1      PRO  83  -5.194  -6.759  -6.759
  623   2HB   PRO  83           HB2      PRO  83  -6.439  -7.640  -7.640
  624   1HG   PRO  83           HG2      PRO  83  -4.366  -8.662  -8.662
  625   2HG   PRO  83           HG1      PRO  83  -5.364  -9.527  -9.527
  626   1HD   PRO  83           HD2      PRO  83  -5.686  -9.343  -9.343
  627   2HD   PRO  83           HD1      PRO  83  -6.566 -10.363 -10.363
  628    H    THR  84           HN       THR  84  -7.515  -4.678  -4.678
  629    HA   THR  84           HA       THR  84  -5.793  -4.630  -4.630
  630    HB   THR  84           HB       THR  84  -7.558  -2.416  -2.416
  631    HG1  THR  84           HG1      THR  84  -8.327  -4.720  -4.720
  632   1HG2  THR  84          HG23      THR  84  -6.543  -3.318  -3.318
  633   2HG2  THR  84          HG22      THR  84  -7.903  -2.206  -2.206
  634   3HG2  THR  84          HG21      THR  84  -6.321  -1.755  -1.755
  635    H    ILE  85           HN       ILE  85  -3.673  -4.356  -4.356
  636    HA   ILE  85           HA       ILE  85  -3.159  -2.284  -2.284
  637    HB   ILE  85           HB       ILE  85  -1.377  -4.329  -4.329
  638   1HG1  ILE  85          HG11      ILE  85  -2.387  -4.488  -4.488
  639   2HG1  ILE  85          HG12      ILE  85  -3.408  -5.053  -5.053
  640   1HG2  ILE  85          HG22      ILE  85  -0.949  -2.249  -2.249
  641   2HG2  ILE  85          HG21      ILE  85  -0.188  -3.817  -3.817
  642   3HG2  ILE  85          HG23      ILE  85   0.179  -2.894  -2.894
  643   1HD1  ILE  85          HD12      ILE  85  -1.428  -6.444  -6.444
  644   2HD1  ILE  85          HD11      ILE  85  -0.642  -6.032  -6.032
  645   3HD1  ILE  85          HD13      ILE  85  -2.145  -6.954  -6.954
  646    H    LYS  86           HN       LYS  86  -1.997  -0.424  -0.424
  647    HA   LYS  86           HA       LYS  86  -0.804  -0.043  -0.043
  648   1HB   LYS  86           HB1      LYS  86  -2.758   1.865   1.865
  649   2HB   LYS  86           HB2      LYS  86  -2.044   2.046   2.046
  650   1HG   LYS  86           HG2      LYS  86  -3.135  -0.141  -0.141
  651   2HG   LYS  86           HG1      LYS  86  -3.986  -0.096  -0.096
  652   1HD   LYS  86           HD2      LYS  86  -4.150   2.418   2.418
  653   2HD   LYS  86           HD1      LYS  86  -4.911   1.044   1.044
  654   1HE   LYS  86           HE1      LYS  86  -5.724   0.780   0.780
  655   2HE   LYS  86           HE2      LYS  86  -5.816   2.525   2.525
  656   1HZ   LYS  86           HZ1      LYS  86  -6.887   0.413   0.413
  657   2HZ   LYS  86           HZ3      LYS  86  -7.831   1.328   1.328
  658   3HZ   LYS  86           HZ2      LYS  86  -7.031   2.092   2.092
  659    H    PHE  87           HN       PHE  87   0.500   2.087   2.087
  660    HA   PHE  87           HA       PHE  87   1.620   2.545   2.545
  661   1HB   PHE  87           HB2      PHE  87   3.149   1.288   1.288
  662   2HB   PHE  87           HB1      PHE  87   2.932   2.425   2.425
  663    HD1  PHE  87           HD1      PHE  87   3.335   3.193   3.193
  664    HD2  PHE  87           HD2      PHE  87   5.121   3.329   3.329
  665    HE1  PHE  87           HE1      PHE  87   5.188   4.578   4.578
  666    HE2  PHE  87           HE2      PHE  87   6.974   4.714   4.714
  667    HZ   PHE  87           HZ       PHE  87   7.009   5.349   5.349
  668    H    PHE  88           HN       PHE  88   1.423   4.635   4.635
  669    HA   PHE  88           HA       PHE  88   0.842   6.743   6.743
  670   1HB   PHE  88           HB2      PHE  88   0.173   6.290   6.290
  671   2HB   PHE  88           HB1      PHE  88   0.046   7.897   7.897
  672    HD1  PHE  88           HD2      PHE  88  -1.567   8.367   8.367
  673    HD2  PHE  88           HD1      PHE  88  -1.319   4.493   4.493
  674    HE1  PHE  88           HE2      PHE  88  -3.756   7.757   7.757
  675    HE2  PHE  88           HE1      PHE  88  -3.506   3.881   3.881
  676    HZ   PHE  88           HZ       PHE  88  -4.722   5.516   5.516
  677    H    ARG  89           HN       ARG  89   1.710   8.976   8.976
  678    HA   ARG  89           HA       ARG  89   4.130   8.952   8.952
  679   1HB   ARG  89           HB2      ARG  89   5.562   9.647   9.647
  680   2HB   ARG  89           HB1      ARG  89   4.941   8.003   8.003
  681   1HG   ARG  89           HG2      ARG  89   3.961   8.557   8.557
  682   2HG   ARG  89           HG1      ARG  89   3.001   9.780   9.780
  683   1HD   ARG  89           HD2      ARG  89   4.964  11.358  11.358
  684   2HD   ARG  89           HD1      ARG  89   5.758  10.143  10.143
  685    HE   ARG  89           HE       ARG  89   3.000  10.972  10.972
  686   1HH1  ARG  89          HH11      ARG  89   5.630   9.603   9.603
  687   2HH1  ARG  89          HH12      ARG  89   5.841  10.734  10.734
  688   1HH2  ARG  89          HH21      ARG  89   3.594  13.038  13.038
  689   2HH2  ARG  89          HH22      ARG  89   4.688  12.679  12.679
  690    H    ASN  90           HN       ASN  90   4.078  10.897  10.897
  691    HA   ASN  90           HA       ASN  90   3.561  13.159  13.159
  692   1HB   ASN  90           HB1      ASN  90   5.376  13.304  13.304
  693   2HB   ASN  90           HB2      ASN  90   4.179  13.264  13.264
  694   1HD2  ASN  90          HD22      ASN  90   4.460  16.826  16.826
  695   2HD2  ASN  90          HD21      ASN  90   4.980  15.464  15.464
  696    H    GLY  91           HN       GLY  91   1.204  11.779  11.779
  697   1HA   GLY  91           HA2      GLY  91  -1.071  11.990  11.990
  698   2HA   GLY  91           HA1      GLY  91  -0.728  13.718  13.718
  699    H    ASP  92           HN       ASP  92  -0.946  10.759  10.759
  700    HA   ASP  92           HA       ASP  92  -0.338  12.100  12.100
  701   1HB   ASP  92           HB1      ASP  92  -0.156   9.566   9.566
  702   2HB   ASP  92           HB2      ASP  92  -1.728   9.469   9.469
  703    H    THR  93           HN       THR  93  -3.254  10.434  10.434
  704    HA   THR  93           HA       THR  93  -5.531  10.688  10.688
  705    HB   THR  93           HB       THR  93  -6.262  12.982  12.982
  706    HG1  THR  93           HG1      THR  93  -4.783  14.054  14.054
  707   1HG2  THR  93          HG21      THR  93  -4.987  11.494  11.494
  708   2HG2  THR  93          HG23      THR  93  -3.842  12.834  12.834
  709   3HG2  THR  93          HG22      THR  93  -5.524  13.132  13.132
  710    H    ALA  94           HN       ALA  94  -3.784  10.317  10.317
  711    HA   ALA  94           HA       ALA  94  -5.553  11.465  11.465
  712   1HB   ALA  94           HB2      ALA  94  -3.338  12.888  12.888
  713   2HB   ALA  94           HB1      ALA  94  -2.701  11.964  11.964
  714   3HB   ALA  94           HB3      ALA  94  -4.090  13.027  13.027
  715    H    SER  95           HN       SER  95  -2.441   9.803   9.803
  716    HA   SER  95           HA       SER  95  -3.339   7.455   7.455
  717   1HB   SER  95           HB2      SER  95  -2.863   9.003   9.003
  718   2HB   SER  95           HB1      SER  95  -1.289   9.389   9.389
  719    HG   SER  95           HG       SER  95  -0.834   7.863   7.863
  720    HA   PRO  96           HA       PRO  96  -0.052   6.669   6.669
  721   1HB   PRO  96           HB1      PRO  96  -1.113   4.303   4.303
  722   2HB   PRO  96           HB2      PRO  96  -1.615   5.884   5.884
  723   1HG   PRO  96           HG2      PRO  96  -2.940   4.130   4.130
  724   2HG   PRO  96           HG1      PRO  96  -3.659   5.103   5.103
  725   1HD   PRO  96           HD2      PRO  96  -3.629   5.872   5.872
  726   2HD   PRO  96           HD1      PRO  96  -3.646   7.019   7.019
  727    H    LYS  97           HN       LYS  97   1.533   4.859   4.859
  728    HA   LYS  97           HA       LYS  97   1.913   3.691   3.691
  729   1HB   LYS  97           HB1      LYS  97   3.461   4.284   4.284
  730   2HB   LYS  97           HB2      LYS  97   3.948   2.799   2.799
  731   1HG   LYS  97           HG2      LYS  97   3.870   4.252   4.252
  732   2HG   LYS  97           HG1      LYS  97   3.946   5.619   5.619
  733   1HD   LYS  97           HD2      LYS  97   5.879   3.525   3.525
  734   2HD   LYS  97           HD1      LYS  97   6.129   4.193   4.193
  735   1HE   LYS  97           HE2      LYS  97   6.276   6.447   6.447
  736   2HE   LYS  97           HE1      LYS  97   5.806   5.892   5.892
  737   1HZ   LYS  97           HZ2      LYS  97   7.742   4.400   4.400
  738   2HZ   LYS  97           HZ1      LYS  97   8.226   5.066   5.066
  739   3HZ   LYS  97           HZ3      LYS  97   8.196   6.034   6.034
  740    H    GLU  98           HN       GLU  98   0.720   1.837   1.837
  741    HA   GLU  98           HA       GLU  98  -0.344   0.043   0.043
  742   1HB   GLU  98           HB2      GLU  98  -0.373  -1.520  -1.520
  743   2HB   GLU  98           HB1      GLU  98  -0.949   0.098   0.098
  744   1HG   GLU  98           HG1      GLU  98   1.071   0.670   0.670
  745   2HG   GLU  98           HG2      GLU  98   1.946  -0.675  -0.675
  746    H    TYR  99           HN       TYR  99   0.404  -2.100  -2.100
  747    HA   TYR  99           HA       TYR  99   3.371  -2.222  -2.222
  748   1HB   TYR  99           HB2      TYR  99   1.925  -2.227  -2.227
  749   2HB   TYR  99           HB1      TYR  99   1.103  -3.668  -3.668
  750    HD1  TYR  99           HD1      TYR  99   4.712  -2.647  -2.647
  751    HD2  TYR  99           HD2      TYR  99   1.746  -5.522  -5.522
  752    HE1  TYR  99           HE1      TYR  99   6.486  -4.072  -4.072
  753    HE2  TYR  99           HE2      TYR  99   3.520  -6.946  -6.946
  754    HH   TYR  99           HH       TYR  99   6.822  -6.446  -6.446
  755    H    THR 100           HN       THR 100   4.492  -4.178  -4.178
  756    HA   THR 100           HA       THR 100   3.000  -6.400  -6.400
  757    HB   THR 100           HB       THR 100   4.666  -6.048  -6.048
  758    HG1  THR 100           HG1      THR 100   5.261  -3.930  -3.930
  759   1HG2  THR 100          HG21      THR 100   2.131  -5.801  -5.801
  760   2HG2  THR 100          HG23      THR 100   2.392  -4.079  -4.079
  761   3HG2  THR 100          HG22      THR 100   2.972  -4.830  -4.830
  762    H    ALA 101           HN       ALA 101   3.929  -8.028  -8.028
  763    HA   ALA 101           HA       ALA 101   6.797  -8.563  -8.563
  764   1HB   ALA 101           HB2      ALA 101   6.200  -6.801  -6.801
  765   2HB   ALA 101           HB1      ALA 101   5.887  -8.280  -8.280
  766   3HB   ALA 101           HB3      ALA 101   7.482  -7.993  -7.993
  767    H    GLY 102           HN       GLY 102   6.811 -10.202 -10.202
  768   1HA   GLY 102           HA2      GLY 102   5.216 -12.468 -12.468
  769   2HA   GLY 102           HA1      GLY 102   6.531 -12.595 -12.595
  770    H    ARG 103           HN       ARG 103   5.948 -12.832 -12.832
  771    HA   ARG 103           HA       ARG 103   3.520 -11.561 -11.561
  772   1HB   ARG 103           HB2      ARG 103   3.740 -14.450 -14.450
  773   2HB   ARG 103           HB1      ARG 103   2.851 -14.047 -14.047
  774   1HG   ARG 103           HG2      ARG 103   1.677 -12.259 -12.259
  775   2HG   ARG 103           HG1      ARG 103   2.266 -13.253 -13.253
  776   1HD   ARG 103           HD2      ARG 103   1.211 -15.171 -15.171
  777   2HD   ARG 103           HD1      ARG 103   0.103 -13.812 -13.812
  778    HE   ARG 103           HE       ARG 103   0.598 -15.133 -15.133
  779   1HH1  ARG 103          HH11      ARG 103   0.209 -13.015 -13.015
  780   2HH1  ARG 103          HH12      ARG 103  -1.394 -12.402 -12.402
  781   1HH2  ARG 103          HH21      ARG 103  -1.933 -14.182 -14.182
  782   2HH2  ARG 103          HH22      ARG 103  -2.607 -13.063 -13.063
  783    H    GLU 104           HN       GLU 104   6.386 -11.516 -11.516
  784    HA   GLU 104           HA       GLU 104   6.236 -12.486 -12.486
  785   1HB   GLU 104           HB1      GLU 104   8.506 -12.801 -12.801
  786   2HB   GLU 104           HB2      GLU 104   8.616 -13.217 -13.217
  787   1HG   GLU 104           HG1      GLU 104   6.266 -14.462 -14.462
  788   2HG   GLU 104           HG2      GLU 104   7.511 -14.767 -14.767
  789    H    ALA 105           HN       ALA 105   6.702 -10.799 -10.799
  790    HA   ALA 105           HA       ALA 105   6.954  -8.189  -8.189
  791   1HB   ALA 105           HB3      ALA 105   7.777 -10.059 -10.059
  792   2HB   ALA 105           HB2      ALA 105   9.225  -9.089  -9.089
  793   3HB   ALA 105           HB1      ALA 105   7.727  -8.313  -8.313
  794    H    ASP 106           HN       ASP 106   9.893 -10.172 -10.172
  795    HA   ASP 106           HA       ASP 106  11.665  -8.033  -8.033
  796   1HB   ASP 106           HB1      ASP 106  12.457 -10.122 -10.122
  797   2HB   ASP 106           HB2      ASP 106  11.438 -10.938 -10.938
  798    H    ASP 107           HN       ASP 107   9.027  -9.308  -9.308
  799    HA   ASP 107           HA       ASP 107   9.921  -8.500  -8.500
  800   1HB   ASP 107           HB1      ASP 107   8.154 -10.218 -10.218
  801   2HB   ASP 107           HB2      ASP 107   7.744  -9.212  -9.212
  802    H    ILE 108           HN       ILE 108   7.758  -7.048  -7.048
  803    HA   ILE 108           HA       ILE 108   7.118  -4.685  -4.685
  804    HB   ILE 108           HB       ILE 108   7.134  -5.381  -5.381
  805   1HG1  ILE 108          HG12      ILE 108   4.755  -5.049  -5.049
  806   2HG1  ILE 108          HG11      ILE 108   5.627  -6.578  -6.578
  807   1HG2  ILE 108          HG21      ILE 108   5.864  -3.005  -3.005
  808   2HG2  ILE 108          HG23      ILE 108   5.644  -3.432  -3.432
  809   3HG2  ILE 108          HG22      ILE 108   7.231  -2.930  -2.930
  810   1HD1  ILE 108          HD11      ILE 108   4.691  -5.214  -5.214
  811   2HD1  ILE 108          HD13      ILE 108   3.600  -6.244  -6.244
  812   3HD1  ILE 108          HD12      ILE 108   5.086  -6.915  -6.915
  813    H    VAL 109           HN       VAL 109   9.685  -5.434  -5.434
  814    HA   VAL 109           HA       VAL 109  10.747  -2.838  -2.838
  815    HB   VAL 109           HB       VAL 109  12.112  -5.541  -5.541
  816   1HG1  VAL 109          HG23      VAL 109  13.299  -3.023  -3.023
  817   2HG1  VAL 109          HG22      VAL 109  13.270  -3.572  -3.572
  818   3HG1  VAL 109          HG21      VAL 109  14.059  -4.553  -4.553
  819   1HG2  VAL 109          HG13      VAL 109  10.375  -4.284  -4.284
  820   2HG2  VAL 109          HG12      VAL 109  10.901  -5.962  -5.962
  821   3HG2  VAL 109          HG11      VAL 109  11.925  -4.775  -4.775
  822    H    ASN 110           HN       ASN 110  11.514  -5.237  -5.237
  823    HA   ASN 110           HA       ASN 110  13.522  -3.774  -3.774
  824   1HB   ASN 110           HB1      ASN 110  11.586  -5.949  -5.949
  825   2HB   ASN 110           HB2      ASN 110  12.259  -5.148  -5.148
  826   1HD2  ASN 110          HD22      ASN 110  14.500  -7.946  -7.946
  827   2HD2  ASN 110          HD21      ASN 110  12.807  -7.900  -7.900
  828    H    TRP 111           HN       TRP 111  10.040  -3.944  -3.944
  829    HA   TRP 111           HA       TRP 111  10.029  -1.976  -1.976
  830   1HB   TRP 111           HB2      TRP 111   8.258  -3.656  -3.656
  831   2HB   TRP 111           HB1      TRP 111   7.685  -2.072  -2.072
  832    HD1  TRP 111           HD1      TRP 111   8.250  -4.179  -4.179
  833    HE1  TRP 111           HE1      TRP 111   6.916  -3.140  -3.140
  834    HE3  TRP 111           HE3      TRP 111   6.636   0.118   0.118
  835    HZ2  TRP 111           HZ2      TRP 111   5.368  -0.793  -0.793
  836    HZ3  TRP 111           HZ3      TRP 111   5.236   1.736   1.736
  837    HH2  TRP 111           HH2      TRP 111   4.600   1.287   1.287
  838    H    LEU 112           HN       LEU 112  10.096  -1.653  -1.653
  839    HA   LEU 112           HA       LEU 112   9.394   1.197   1.197
  840   1HB   LEU 112           HB1      LEU 112   9.884  -0.993  -0.993
  841   2HB   LEU 112           HB2      LEU 112  10.570   0.534   0.534
  842    HG   LEU 112           HG       LEU 112   8.336   1.611   1.611
  843   1HD1  LEU 112          HD11      LEU 112   7.835  -0.705  -0.705
  844   2HD1  LEU 112          HD13      LEU 112   6.988  -1.013  -1.013
  845   3HD1  LEU 112          HD12      LEU 112   6.583   0.408   0.408
  846   1HD2  LEU 112          HD23      LEU 112   8.915  -0.379  -0.379
  847   2HD2  LEU 112          HD22      LEU 112   8.449   1.315   1.315
  848   3HD2  LEU 112          HD21      LEU 112   7.222   0.086   0.086
  849    H    LYS 113           HN       LYS 113  12.363  -0.745  -0.745
  850    HA   LYS 113           HA       LYS 113  14.020   1.705   1.705
  851   1HB   LYS 113           HB2      LYS 113  14.266  -1.207  -1.207
  852   2HB   LYS 113           HB1      LYS 113  15.739  -0.392  -0.392
  853   1HG   LYS 113           HG2      LYS 113  15.716   1.096   1.096
  854   2HG   LYS 113           HG1      LYS 113  14.022   0.765   0.765
  855   1HD   LYS 113           HD2      LYS 113  14.504  -1.361  -1.361
  856   2HD   LYS 113           HD1      LYS 113  16.096  -1.419  -1.419
  857   1HE   LYS 113           HE2      LYS 113  16.636   0.667   0.667
  858   2HE   LYS 113           HE1      LYS 113  15.226   0.162   0.162
  859   1HZ   LYS 113           HZ1      LYS 113  17.437  -1.660  -1.660
  860   2HZ   LYS 113           HZ3      LYS 113  17.345  -0.888  -0.888
  861   3HZ   LYS 113           HZ2      LYS 113  16.148  -2.006  -2.006
  862    H    LYS 114           HN       LYS 114  12.528   0.497   0.497
  863    HA   LYS 114           HA       LYS 114  14.716  -0.167  -0.167
  864   1HB   LYS 114           HB2      LYS 114  12.438  -1.095  -1.095
  865   2HB   LYS 114           HB1      LYS 114  11.790   0.529   0.529
  866   1HG   LYS 114           HG2      LYS 114  12.592   0.693   0.693
  867   2HG   LYS 114           HG1      LYS 114  13.994  -0.324  -0.324
  868   1HD   LYS 114           HD2      LYS 114  12.722  -2.322  -2.322
  869   2HD   LYS 114           HD1      LYS 114  11.193  -1.450  -1.450
  870   1HE   LYS 114           HE2      LYS 114  12.801  -0.502  -0.502
  871   2HE   LYS 114           HE1      LYS 114  12.426  -2.232  -2.232
  872   1HZ   LYS 114           HZ2      LYS 114  10.450  -0.112  -0.112
  873   2HZ   LYS 114           HZ1      LYS 114  10.627  -0.818  -0.818
  874   3HZ   LYS 114           HZ3      LYS 114  10.121  -1.764  -1.764
  875    H    ARG 115           HN       ARG 115  13.083   2.731   2.731
  876    HA   ARG 115           HA       ARG 115  14.570   4.286   4.286
  877   1HB   ARG 115           HB2      ARG 115  11.871   4.008   4.008
  878   2HB   ARG 115           HB1      ARG 115  12.125   5.417   5.417
  879   1HG   ARG 115           HG2      ARG 115  11.814   6.340   6.340
  880   2HG   ARG 115           HG1      ARG 115  13.564   6.334   6.334
  881   1HD   ARG 115           HD2      ARG 115  13.635   4.116   4.116
  882   2HD   ARG 115           HD1      ARG 115  11.911   4.326   4.326
  883    HE   ARG 115           HE       ARG 115  14.078   6.149   6.149
  884   1HH1  ARG 115          HH11      ARG 115  10.750   6.013   6.013
  885   2HH1  ARG 115          HH12      ARG 115  10.324   6.439   6.439
  886   1HH2  ARG 115          HH21      ARG 115  13.577   6.262   6.262
  887   2HH2  ARG 115          HH22      ARG 115  11.923   6.580   6.580
  888    H    THR 116           HN       THR 116  15.534   3.561   3.561
  889    HA   THR 116           HA       THR 116  15.444   6.209   6.209
  890    HB   THR 116           HB       THR 116  16.286   4.678   4.678
  891    HG1  THR 116           HG1      THR 116  16.791   2.804   2.804
  892   1HG2  THR 116          HG22      THR 116  13.990   5.568   5.568
  893   2HG2  THR 116          HG21      THR 116  13.537   4.229   4.229
  894   3HG2  THR 116          HG23      THR 116  13.991   3.916   3.916
  895    H    GLY 117           HN       GLY 117  17.628   3.523   3.523
  896   1HA   GLY 117           HA1      GLY 117  20.008   5.072   5.072
  897   2HA   GLY 117           HA2      GLY 117  19.995   3.479   3.479
  898    HA   PRO 118           HA       PRO 118  20.889   6.847   6.847
  899   1HB   PRO 118           HB2      PRO 118  23.470   6.151   6.151
  900   2HB   PRO 118           HB1      PRO 118  23.044   7.316   7.316
  901   1HG   PRO 118           HG2      PRO 118  23.798   4.442   4.442
  902   2HG   PRO 118           HG1      PRO 118  24.218   5.806   5.806
  903   1HD   PRO 118           HD2      PRO 118  22.278   3.976   3.976
  904   2HD   PRO 118           HD1      PRO 118  22.276   5.647   5.647
  905    H    ALA 119           HN       ALA 119  21.841   3.436   3.436
  906    HA   ALA 119           HA       ALA 119  20.701   3.046   3.046
  907   1HB   ALA 119           HB3      ALA 119  23.307   3.430   3.430
  908   2HB   ALA 119           HB2      ALA 119  23.305   1.755   1.755
  909   3HB   ALA 119           HB1      ALA 119  22.694   2.154   2.154
  910    H    ALA 120           HN       ALA 120  21.529   0.317   0.317
  911    HA   ALA 120           HA       ALA 120  19.732  -0.880  -0.880
  912   1HB   ALA 120           HB3      ALA 120  19.735  -1.138  -1.138
  913   2HB   ALA 120           HB2      ALA 120  20.988  -2.337  -2.337
  914   3HB   ALA 120           HB1      ALA 120  19.379  -2.534  -2.534

  Start of MODEL   15
    1   1H    ASP   1           HT2      ASP   1 -10.376  12.706  12.706
    2   2H    ASP   1           HT1      ASP   1 -10.859  13.442  13.442
    3   3H    ASP   1           HT3      ASP   1 -10.839  11.750  11.750
    4    HA   ASP   1           HA       ASP   1  -8.909  12.346  12.346
    5   1HB   ASP   1           HB1      ASP   1  -8.127  14.168  14.168
    6   2HB   ASP   1           HB2      ASP   1  -9.239  14.735  14.735
    7    H    ALA   2           HN       ALA   2  -8.217  10.235  10.235
    8    HA   ALA   2           HA       ALA   2  -6.313   9.942   9.942
    9   1HB   ALA   2           HB1      ALA   2  -8.554   9.503   9.503
   10   2HB   ALA   2           HB3      ALA   2  -8.829   8.261   8.261
   11   3HB   ALA   2           HB2      ALA   2  -7.564   8.043   8.043
   12    HA   PRO   3           HA       PRO   3  -5.003   7.570   7.570
   13   1HB   PRO   3           HB2      PRO   3  -2.334   7.630   7.630
   14   2HB   PRO   3           HB1      PRO   3  -3.171   8.963   8.963
   15   1HG   PRO   3           HG2      PRO   3  -2.383   8.677   8.677
   16   2HG   PRO   3           HG1      PRO   3  -2.353  10.110  10.110
   17   1HD   PRO   3           HD2      PRO   3  -4.296   9.630   9.630
   18   2HD   PRO   3           HD1      PRO   3  -4.548  10.604  10.604
   19    H    GLU   4           HN       GLU   4  -5.172   5.364   5.364
   20    HA   GLU   4           HA       GLU   4  -4.040   3.963   3.963
   21   1HB   GLU   4           HB2      GLU   4  -6.527   4.052   4.052
   22   2HB   GLU   4           HB1      GLU   4  -6.437   3.264   3.264
   23   1HG   GLU   4           HG1      GLU   4  -4.903   1.809   1.809
   24   2HG   GLU   4           HG2      GLU   4  -6.586   1.991   1.991
   25    H    GLU   5           HN       GLU   5  -3.099   1.846   1.846
   26    HA   GLU   5           HA       GLU   5  -2.539   1.315   1.315
   27   1HB   GLU   5           HB2      GLU   5  -0.211   0.660   0.660
   28   2HB   GLU   5           HB1      GLU   5  -0.582   2.378   2.378
   29   1HG   GLU   5           HG1      GLU   5  -1.160   2.248   2.248
   30   2HG   GLU   5           HG2      GLU   5  -0.779   0.526   0.526
   31    H    GLU   6           HN       GLU   6  -1.483  -0.952  -0.952
   32    HA   GLU   6           HA       GLU   6  -2.585  -2.870  -2.870
   33   1HB   GLU   6           HB2      GLU   6  -3.356  -2.387  -2.387
   34   2HB   GLU   6           HB1      GLU   6  -3.209  -4.073  -4.073
   35   1HG   GLU   6           HG2      GLU   6  -4.589  -3.167  -3.167
   36   2HG   GLU   6           HG1      GLU   6  -5.136  -1.995  -1.995
   37    H    ASP   7           HN       ASP   7  -0.926  -4.270  -4.270
   38    HA   ASP   7           HA       ASP   7   1.087  -5.497  -5.497
   39   1HB   ASP   7           HB1      ASP   7  -0.265  -5.633  -5.633
   40   2HB   ASP   7           HB2      ASP   7   1.215  -6.533  -6.533
   41    H    HIS   8           HN       HIS   8   1.632  -2.797  -2.797
   42    HA   HIS   8           HA       HIS   8   3.315  -1.275  -1.275
   43   1HB   HIS   8           HB1      HIS   8   4.386  -3.767  -3.767
   44   2HB   HIS   8           HB2      HIS   8   4.638  -3.302  -3.302
   45    HD1  HIS   8           HD1      HIS   8   6.490  -1.655  -1.655
   46    HD2  HIS   8           HD2      HIS   8   5.610  -1.888  -1.888
   47    HE1  HIS   8           HE1      HIS   8   8.260  -0.293  -0.293
   48    H    VAL   9           HN       VAL   9   0.960  -2.188  -2.188
   49    HA   VAL   9           HA       VAL   9   2.102  -0.842  -0.842
   50    HB   VAL   9           HB       VAL   9  -0.180  -2.825  -2.825
   51   1HG1  VAL   9          HG12      VAL   9   1.012  -1.440  -1.440
   52   2HG1  VAL   9          HG11      VAL   9  -0.013  -2.870  -2.870
   53   3HG1  VAL   9          HG13      VAL   9  -0.660  -1.374  -1.374
   54   1HG2  VAL   9          HG23      VAL   9   2.306  -3.566  -3.566
   55   2HG2  VAL   9          HG22      VAL   9   1.271  -4.466  -4.466
   56   3HG2  VAL   9          HG21      VAL   9   2.404  -3.270  -3.270
   57    H    LEU  10           HN       LEU  10   0.418   0.508   0.508
   58    HA   LEU  10           HA       LEU  10  -1.247   1.960   1.960
   59   1HB   LEU  10           HB1      LEU  10   0.548   2.698   2.698
   60   2HB   LEU  10           HB2      LEU  10  -1.044   3.125   3.125
   61    HG   LEU  10           HG       LEU  10  -0.090   4.990   4.990
   62   1HD1  LEU  10          HD22      LEU  10  -2.586   4.396   4.396
   63   2HD1  LEU  10          HD21      LEU  10  -2.301   3.712   3.712
   64   3HD1  LEU  10          HD23      LEU  10  -2.019   5.429   5.429
   65   1HD2  LEU  10          HD13      LEU  10   0.467   2.782   2.782
   66   2HD2  LEU  10          HD12      LEU  10   1.256   4.352   4.352
   67   3HD2  LEU  10          HD11      LEU  10  -0.235   4.199   4.199
   68    H    VAL  11           HN       VAL  11  -3.466   2.206   2.206
   69    HA   VAL  11           HA       VAL  11  -4.705   0.542   0.542
   70    HB   VAL  11           HB       VAL  11  -5.332  -0.049  -0.049
   71   1HG1  VAL  11          HG22      VAL  11  -5.654   2.920   2.920
   72   2HG1  VAL  11          HG21      VAL  11  -6.632   1.852   1.852
   73   3HG1  VAL  11          HG23      VAL  11  -4.872   1.774   1.774
   74   1HG2  VAL  11          HG11      VAL  11  -7.457   1.536   1.536
   75   2HG2  VAL  11          HG13      VAL  11  -7.171  -0.203  -0.203
   76   3HG2  VAL  11          HG12      VAL  11  -7.802   0.522   0.522
   77    H    LEU  12           HN       LEU  12  -6.001   1.550   1.550
   78    HA   LEU  12           HA       LEU  12  -6.213   4.533   4.533
   79   1HB   LEU  12           HB2      LEU  12  -5.149   2.778   2.778
   80   2HB   LEU  12           HB1      LEU  12  -6.632   3.427   3.427
   81    HG   LEU  12           HG       LEU  12  -5.873   5.718   5.718
   82   1HD1  LEU  12          HD13      LEU  12  -3.813   4.218   4.218
   83   2HD1  LEU  12          HD12      LEU  12  -3.217   5.603   5.603
   84   3HD1  LEU  12          HD11      LEU  12  -4.481   5.824   5.824
   85   1HD2  LEU  12          HD21      LEU  12  -5.240   4.674   4.674
   86   2HD2  LEU  12          HD23      LEU  12  -3.995   5.793   5.793
   87   3HD2  LEU  12          HD22      LEU  12  -3.763   4.055   4.055
   88    H    ARG  13           HN       ARG  13  -8.186   5.509   5.509
   89    HA   ARG  13           HA       ARG  13 -10.478   3.708   3.708
   90   1HB   ARG  13           HB1      ARG  13 -11.763   4.634   4.634
   91   2HB   ARG  13           HB2      ARG  13 -10.246   3.993   3.993
   92   1HG   ARG  13           HG2      ARG  13  -9.534   6.034   6.034
   93   2HG   ARG  13           HG1      ARG  13 -10.087   6.818   6.818
   94   1HD   ARG  13           HD2      ARG  13 -12.037   7.482   7.482
   95   2HD   ARG  13           HD1      ARG  13 -12.301   5.882   5.882
   96    HE   ARG  13           HE       ARG  13 -10.099   7.085   7.085
   97   1HH1  ARG  13          HH11      ARG  13 -12.367   9.240   9.240
   98   2HH1  ARG  13          HH12      ARG  13 -13.113   9.223   9.223
   99   1HH2  ARG  13          HH21      ARG  13 -11.545   6.301   6.301
  100   2HH2  ARG  13          HH22      ARG  13 -12.648   7.559   7.559
  101    H    LYS  14           HN       LYS  14 -12.474   5.682   5.682
  102    HA   LYS  14           HA       LYS  14 -12.344   7.023   7.023
  103   1HB   LYS  14           HB2      LYS  14 -14.108   6.701   6.701
  104   2HB   LYS  14           HB1      LYS  14 -14.182   8.355   8.355
  105   1HG   LYS  14           HG1      LYS  14 -14.651   7.554   7.554
  106   2HG   LYS  14           HG2      LYS  14 -14.455   5.881   5.881
  107   1HD   LYS  14           HD2      LYS  14 -16.843   6.479   6.479
  108   2HD   LYS  14           HD1      LYS  14 -16.361   6.153   6.153
  109   1HE   LYS  14           HE2      LYS  14 -16.137   8.573   8.573
  110   2HE   LYS  14           HE1      LYS  14 -16.588   8.917   8.917
  111   1HZ   LYS  14           HZ3      LYS  14 -18.614   7.506   7.506
  112   2HZ   LYS  14           HZ2      LYS  14 -18.225   7.606   7.606
  113   3HZ   LYS  14           HZ1      LYS  14 -18.586   9.015   9.015
  114    H    SER  15           HN       SER  15 -11.323   8.137   8.137
  115    HA   SER  15           HA       SER  15 -10.695  10.807  10.807
  116   1HB   SER  15           HB1      SER  15 -12.515  10.526  10.526
  117   2HB   SER  15           HB2      SER  15 -11.178  10.239  10.239
  118    HG   SER  15           HG       SER  15 -11.545  12.520  12.520
  119    H    ASN  16           HN       ASN  16  -9.117   8.079   8.079
  120    HA   ASN  16           HA       ASN  16  -6.877   9.438   9.438
  121   1HB   ASN  16           HB1      ASN  16  -8.104   6.792   6.792
  122   2HB   ASN  16           HB2      ASN  16  -6.352   6.708   6.708
  123   1HD2  ASN  16          HD22      ASN  16  -7.263   6.730   6.730
  124   2HD2  ASN  16          HD21      ASN  16  -7.656   5.731   5.731
  125    H    PHE  17           HN       PHE  17  -7.771   7.937   7.937
  126    HA   PHE  17           HA       PHE  17  -5.324   7.202   7.202
  127   1HB   PHE  17           HB2      PHE  17  -7.682   7.007   7.007
  128   2HB   PHE  17           HB1      PHE  17  -7.563   8.695   8.695
  129    HD1  PHE  17           HD2      PHE  17  -5.581   9.364   9.364
  130    HD2  PHE  17           HD1      PHE  17  -6.813   5.300   5.300
  131    HE1  PHE  17           HE2      PHE  17  -4.378   8.679   8.679
  132    HE2  PHE  17           HE1      PHE  17  -5.609   4.612   4.612
  133    HZ   PHE  17           HZ       PHE  17  -4.391   6.302   6.302
  134    H    ALA  18           HN       ALA  18  -6.844  10.366  10.366
  135    HA   ALA  18           HA       ALA  18  -4.573  11.599  11.599
  136   1HB   ALA  18           HB1      ALA  18  -6.840  12.775  12.775
  137   2HB   ALA  18           HB3      ALA  18  -5.802  13.690  13.690
  138   3HB   ALA  18           HB2      ALA  18  -6.882  12.449  12.449
  139    H    GLU  19           HN       GLU  19  -5.376  11.045  11.045
  140    HA   GLU  19           HA       GLU  19  -3.522  12.971  12.971
  141   1HB   GLU  19           HB2      GLU  19  -5.550  11.958  11.958
  142   2HB   GLU  19           HB1      GLU  19  -4.686  10.423  10.423
  143   1HG   GLU  19           HG2      GLU  19  -4.402  11.518  11.518
  144   2HG   GLU  19           HG1      GLU  19  -2.862  11.627  11.627
  145    H    ALA  20           HN       ALA  20  -3.412   9.392   9.392
  146    HA   ALA  20           HA       ALA  20  -0.807   8.987   8.987
  147   1HB   ALA  20           HB2      ALA  20  -2.674   7.597   7.597
  148   2HB   ALA  20           HB1      ALA  20  -1.030   6.976   6.976
  149   3HB   ALA  20           HB3      ALA  20  -2.075   7.067   7.067
  150    H    LEU  21           HN       LEU  21  -1.824   9.729   9.729
  151    HA   LEU  21           HA       LEU  21   0.687   9.417   9.417
  152   1HB   LEU  21           HB1      LEU  21  -1.601  11.346  11.346
  153   2HB   LEU  21           HB2      LEU  21  -0.329  10.982  10.982
  154    HG   LEU  21           HG       LEU  21  -2.323   9.012   9.012
  155   1HD1  LEU  21          HD13      LEU  21  -2.235  10.680  10.680
  156   2HD1  LEU  21          HD12      LEU  21  -2.394   8.967   8.967
  157   3HD1  LEU  21          HD11      LEU  21  -3.575   9.744   9.744
  158   1HD2  LEU  21          HD21      LEU  21   0.045   8.631   8.631
  159   2HD2  LEU  21          HD23      LEU  21  -0.228   7.862   7.862
  160   3HD2  LEU  21          HD22      LEU  21  -1.244   7.440   7.440
  161    H    ALA  22           HN       ALA  22  -0.729  12.277  12.277
  162    HA   ALA  22           HA       ALA  22   1.616  13.943  13.943
  163   1HB   ALA  22           HB3      ALA  22  -0.820  14.647  14.647
  164   2HB   ALA  22           HB2      ALA  22  -0.643  14.339  14.339
  165   3HB   ALA  22           HB1      ALA  22   0.333  15.586  15.586
  166    H    ALA  23           HN       ALA  23   1.025  11.433  11.433
  167    HA   ALA  23           HA       ALA  23   2.108  12.404  12.404
  168   1HB   ALA  23           HB3      ALA  23   0.921  10.266  10.266
  169   2HB   ALA  23           HB2      ALA  23   2.258   9.668   9.668
  170   3HB   ALA  23           HB1      ALA  23   2.499   9.990   9.990
  171    H    HIS  24           HN       HIS  24   3.842  10.357  10.357
  172    HA   HIS  24           HA       HIS  24   6.355  11.811  11.811
  173   1HB   HIS  24           HB2      HIS  24   5.805   8.907   8.907
  174   2HB   HIS  24           HB1      HIS  24   7.431   9.570   9.570
  175    HD1  HIS  24           HD1      HIS  24   4.301   8.897   8.897
  176    HD2  HIS  24           HD2      HIS  24   8.263  10.026  10.026
  177    HE1  HIS  24           HE1      HIS  24   4.679   8.795   8.795
  178    H    LYS  25           HN       LYS  25   6.024   9.385   9.385
  179    HA   LYS  25           HA       LYS  25   5.854  11.355  11.355
  180   1HB   LYS  25           HB1      LYS  25   8.193  11.540  11.540
  181   2HB   LYS  25           HB2      LYS  25   8.433   9.831   9.831
  182   1HG   LYS  25           HG2      LYS  25   8.487  10.168  10.168
  183   2HG   LYS  25           HG1      LYS  25   7.388  11.546  11.546
  184   1HD   LYS  25           HD2      LYS  25   9.080  13.046  13.046
  185   2HD   LYS  25           HD1      LYS  25  10.064  11.842  11.842
  186   1HE   LYS  25           HE2      LYS  25  10.791  10.868  10.868
  187   2HE   LYS  25           HE1      LYS  25   9.590  11.791  11.791
  188   1HZ   LYS  25           HZ3      LYS  25  10.633  13.839  13.839
  189   2HZ   LYS  25           HZ2      LYS  25  11.798  12.952  12.952
  190   3HZ   LYS  25           HZ1      LYS  25  11.753  12.877  12.877
  191    H    TYR  26           HN       TYR  26   7.500   8.178   8.178
  192    HA   TYR  26           HA       TYR  26   5.955   7.147   7.147
  193   1HB   TYR  26           HB1      TYR  26   8.016   6.008   6.008
  194   2HB   TYR  26           HB2      TYR  26   7.332   5.080   5.080
  195    HD1  TYR  26           HD2      TYR  26   7.111   7.155   7.155
  196    HD2  TYR  26           HD1      TYR  26  10.256   6.387   6.387
  197    HE1  TYR  26           HE2      TYR  26   8.751   8.187   8.187
  198    HE2  TYR  26           HE1      TYR  26  11.895   7.416   7.416
  199    HH   TYR  26           HH       TYR  26  11.648   9.262   9.262
  200    H    LEU  27           HN       LEU  27   3.802   6.700   6.700
  201    HA   LEU  27           HA       LEU  27   3.278   5.215   5.215
  202   1HB   LEU  27           HB1      LEU  27   2.184   7.559   7.559
  203   2HB   LEU  27           HB2      LEU  27   0.932   6.319   6.319
  204    HG   LEU  27           HG       LEU  27   0.821   7.562   7.562
  205   1HD1  LEU  27          HD22      LEU  27   0.333   5.080   5.080
  206   2HD1  LEU  27          HD21      LEU  27   1.964   4.800   4.800
  207   3HD1  LEU  27          HD23      LEU  27   0.788   5.662   5.662
  208   1HD2  LEU  27          HD13      LEU  27   3.661   6.558   6.558
  209   2HD2  LEU  27          HD12      LEU  27   3.175   8.238   8.238
  210   3HD2  LEU  27          HD11      LEU  27   2.706   7.373   7.373
  211    H    LEU  28           HN       LEU  28   2.242   3.280   3.280
  212    HA   LEU  28           HA       LEU  28   1.454   2.271   2.271
  213   1HB   LEU  28           HB1      LEU  28   3.397   1.382   1.382
  214   2HB   LEU  28           HB2      LEU  28   2.044   0.288   0.288
  215    HG   LEU  28           HG       LEU  28   3.591  -0.537  -0.537
  216   1HD1  LEU  28          HD23      LEU  28   0.792  -0.403  -0.403
  217   2HD1  LEU  28          HD22      LEU  28   1.276  -0.005  -0.005
  218   3HD1  LEU  28          HD21      LEU  28   1.797  -1.522  -1.522
  219   1HD2  LEU  28          HD13      LEU  28   3.980   1.936   1.936
  220   2HD2  LEU  28          HD12      LEU  28   3.983   0.643   0.643
  221   3HD2  LEU  28          HD11      LEU  28   2.552   1.655   1.655
  222    H    VAL  29           HN       VAL  29  -0.594   1.362   1.362
  223    HA   VAL  29           HA       VAL  29  -2.173   1.060   1.060
  224    HB   VAL  29           HB       VAL  29  -3.079   2.250   2.250
  225   1HG1  VAL  29          HG21      VAL  29  -4.728   1.024   1.024
  226   2HG1  VAL  29          HG23      VAL  29  -4.492   2.423   2.423
  227   3HG1  VAL  29          HG22      VAL  29  -5.156   2.637   2.637
  228   1HG2  VAL  29          HG12      VAL  29  -2.188   3.480   3.480
  229   2HG2  VAL  29          HG11      VAL  29  -1.598   3.832   3.832
  230   3HG2  VAL  29          HG13      VAL  29  -3.212   4.353   4.353
  231    H    GLU  30           HN       GLU  30  -3.198  -0.887  -0.887
  232    HA   GLU  30           HA       GLU  30  -3.394  -2.546  -2.546
  233   1HB   GLU  30           HB1      GLU  30  -1.827  -3.431  -3.431
  234   2HB   GLU  30           HB2      GLU  30  -2.989  -3.224  -3.224
  235   1HG   GLU  30           HG1      GLU  30  -2.633  -5.503  -5.503
  236   2HG   GLU  30           HG2      GLU  30  -3.858  -5.260  -5.260
  237    H    PHE  31           HN       PHE  31  -5.491  -2.720  -2.720
  238    HA   PHE  31           HA       PHE  31  -7.705  -2.325  -2.325
  239   1HB   PHE  31           HB1      PHE  31  -7.330  -2.269  -2.269
  240   2HB   PHE  31           HB2      PHE  31  -8.952  -2.418  -2.418
  241    HD1  PHE  31           HD1      PHE  31  -9.627  -0.690  -0.690
  242    HD2  PHE  31           HD2      PHE  31  -6.314  -0.158  -0.158
  243    HE1  PHE  31           HE1      PHE  31  -9.663   1.750   1.750
  244    HE2  PHE  31           HE2      PHE  31  -6.351   2.283   2.283
  245    HZ   PHE  31           HZ       PHE  31  -8.015   3.239   3.239
  246    H    TYR  32           HN       TYR  32  -8.491  -4.204  -4.204
  247    HA   TYR  32           HA       TYR  32  -9.113  -6.490  -6.490
  248   1HB   TYR  32           HB2      TYR  32  -7.685  -8.040  -8.040
  249   2HB   TYR  32           HB1      TYR  32  -6.689  -6.644  -6.644
  250    HD1  TYR  32           HD2      TYR  32  -6.775  -4.697  -4.697
  251    HD2  TYR  32           HD1      TYR  32  -7.530  -8.869  -8.869
  252    HE1  TYR  32           HE2      TYR  32  -6.239  -4.398  -4.398
  253    HE2  TYR  32           HE1      TYR  32  -6.995  -8.570  -8.570
  254    HH   TYR  32           HH       TYR  32  -6.876  -6.858  -6.858
  255    H    ALA  33           HN       ALA  33 -10.066  -8.340  -8.340
  256    HA   ALA  33           HA       ALA  33 -11.731  -7.027  -7.027
  257   1HB   ALA  33           HB3      ALA  33 -12.879  -7.524  -7.524
  258   2HB   ALA  33           HB2      ALA  33 -12.509  -9.231  -9.231
  259   3HB   ALA  33           HB1      ALA  33 -13.581  -8.391  -8.391
  260    HA   PRO  34           HA       PRO  34 -10.444 -10.283 -10.283
  261   1HB   PRO  34           HB1      PRO  34 -12.730 -10.822 -10.822
  262   2HB   PRO  34           HB2      PRO  34 -11.750  -9.365  -9.365
  263   1HG   PRO  34           HG2      PRO  34 -14.270  -9.711  -9.711
  264   2HG   PRO  34           HG1      PRO  34 -13.779  -8.382  -8.382
  265   1HD   PRO  34           HD2      PRO  34 -13.636  -8.230  -8.230
  266   2HD   PRO  34           HD1      PRO  34 -12.520  -7.365  -7.365
  267    H    TRP  35           HN       TRP  35 -13.048 -10.774 -10.774
  268    HA   TRP  35           HA       TRP  35 -12.922 -13.735 -13.735
  269   1HB   TRP  35           HB1      TRP  35 -15.080 -13.708 -13.708
  270   2HB   TRP  35           HB2      TRP  35 -15.121 -12.614 -12.614
  271    HD1  TRP  35           HD1      TRP  35 -15.236 -10.030 -10.030
  272    HE1  TRP  35           HE1      TRP  35 -15.740  -8.649  -8.649
  273    HE3  TRP  35           HE3      TRP  35 -14.798 -13.673 -13.673
  274    HZ2  TRP  35           HZ2      TRP  35 -15.934  -9.039  -9.039
  275    HZ3  TRP  35           HZ3      TRP  35 -15.149 -13.142 -13.142
  276    HH2  TRP  35           HH2      TRP  35 -15.716 -10.831 -10.831
  277    H    CYS  36           HN       CYS  36 -11.468 -11.411 -11.411
  278    HA   CYS  36           HA       CYS  36 -11.702 -12.181 -12.181
  279   1HB   CYS  36           HB2      CYS  36 -10.378 -10.297 -10.297
  280   2HB   CYS  36           HB1      CYS  36  -9.300 -11.366 -11.366
  281    H    GLY  37           HN       GLY  37  -9.465 -13.585 -13.585
  282   1HA   GLY  37           HA2      GLY  37  -8.988 -15.952 -15.952
  283   2HA   GLY  37           HA1      GLY  37  -9.563 -16.146 -16.146
  284    H    HIS  38           HN       HIS  38  -8.170 -14.935 -14.935
  285    HA   HIS  38           HA       HIS  38  -5.415 -15.799 -15.799
  286   1HB   HIS  38           HB2      HIS  38  -7.228 -14.641 -14.641
  287   2HB   HIS  38           HB1      HIS  38  -5.536 -14.185 -14.185
  288    HD1  HIS  38           HD1      HIS  38  -7.573 -17.362 -17.362
  289    HD2  HIS  38           HD2      HIS  38  -4.044 -16.135 -16.135
  290    HE1  HIS  38           HE1      HIS  38  -6.630 -19.402 -19.402
  291    H    CYS  39           HN       CYS  39  -7.016 -13.015 -13.015
  292    HA   CYS  39           HA       CYS  39  -4.805 -11.128 -11.128
  293   1HB   CYS  39           HB2      CYS  39  -7.402 -11.095 -11.095
  294   2HB   CYS  39           HB1      CYS  39  -6.315  -9.712  -9.712
  295    H    LYS  40           HN       LYS  40  -5.736 -13.482 -13.482
  296    HA   LYS  40           HA       LYS  40  -4.286 -12.266 -12.266
  297   1HB   LYS  40           HB2      LYS  40  -5.349 -15.072 -15.072
  298   2HB   LYS  40           HB1      LYS  40  -4.882 -14.394 -14.394
  299   1HG   LYS  40           HG2      LYS  40  -6.691 -12.892 -12.892
  300   2HG   LYS  40           HG1      LYS  40  -6.945 -13.016 -13.016
  301   1HD   LYS  40           HD2      LYS  40  -8.700 -14.280 -14.280
  302   2HD   LYS  40           HD1      LYS  40  -7.564 -15.451 -15.451
  303   1HE   LYS  40           HE2      LYS  40  -6.440 -15.345 -15.345
  304   2HE   LYS  40           HE1      LYS  40  -8.009 -14.695 -14.695
  305   1HZ   LYS  40           HZ2      LYS  40  -9.095 -16.566 -16.566
  306   2HZ   LYS  40           HZ1      LYS  40  -7.583 -17.209 -17.209
  307   3HZ   LYS  40           HZ3      LYS  40  -8.024 -17.108 -17.108
  308    H    ALA  41           HN       ALA  41  -3.518 -14.429 -14.429
  309    HA   ALA  41           HA       ALA  41  -1.221 -15.730 -15.730
  310   1HB   ALA  41           HB2      ALA  41  -2.454 -16.410 -16.410
  311   2HB   ALA  41           HB1      ALA  41  -1.884 -14.957 -14.957
  312   3HB   ALA  41           HB3      ALA  41  -0.735 -16.203 -16.203
  313    H    LEU  42           HN       LEU  42  -1.705 -12.462 -12.462
  314    HA   LEU  42           HA       LEU  42   1.266 -12.027 -12.027
  315   1HB   LEU  42           HB2      LEU  42  -0.587 -11.593 -11.593
  316   2HB   LEU  42           HB1      LEU  42  -0.470 -10.000 -10.000
  317    HG   LEU  42           HG       LEU  42   2.167 -10.761 -10.761
  318   1HD1  LEU  42          HD21      LEU  42   1.110 -12.716 -12.716
  319   2HD1  LEU  42          HD23      LEU  42   1.155 -11.481 -11.481
  320   3HD1  LEU  42          HD22      LEU  42   2.644 -11.972 -11.972
  321   1HD2  LEU  42          HD13      LEU  42   0.373  -8.922  -8.922
  322   2HD2  LEU  42          HD12      LEU  42   2.057  -8.690  -8.690
  323   3HD2  LEU  42          HD11      LEU  42   1.665  -9.444  -9.444
  324    H    ALA  43           HN       ALA  43  -1.727 -11.252 -11.252
  325    HA   ALA  43           HA       ALA  43  -1.433  -8.640  -8.640
  326   1HB   ALA  43           HB1      ALA  43  -2.798 -11.099 -11.099
  327   2HB   ALA  43           HB3      ALA  43  -2.360 -10.191 -10.191
  328   3HB   ALA  43           HB2      ALA  43  -3.344  -9.433  -9.433
  329    HA   PRO  44           HA       PRO  44   1.320 -10.134 -10.134
  330   1HB   PRO  44           HB1      PRO  44   2.209 -12.720 -12.720
  331   2HB   PRO  44           HB2      PRO  44   0.668 -12.214 -12.214
  332   1HG   PRO  44           HG2      PRO  44   1.206 -13.625 -13.625
  333   2HG   PRO  44           HG1      PRO  44  -0.181 -13.751 -13.751
  334   1HD   PRO  44           HD1      PRO  44  -0.127 -12.336 -12.336
  335   2HD   PRO  44           HD2      PRO  44  -1.322 -12.133 -12.133
  336    H    GLU  45           HN       GLU  45   1.961 -10.335 -10.335
  337    HA   GLU  45           HA       GLU  45   4.907 -10.665 -10.665
  338   1HB   GLU  45           HB2      GLU  45   3.141 -10.754 -10.754
  339   2HB   GLU  45           HB1      GLU  45   4.869 -11.090 -11.090
  340   1HG   GLU  45           HG2      GLU  45   4.073 -13.250 -13.250
  341   2HG   GLU  45           HG1      GLU  45   4.118 -12.829 -12.829
  342    H    TYR  46           HN       TYR  46   2.424  -8.818  -8.818
  343    HA   TYR  46           HA       TYR  46   4.120  -6.581  -6.581
  344   1HB   TYR  46           HB2      TYR  46   2.171  -6.991  -6.991
  345   2HB   TYR  46           HB1      TYR  46   1.159  -7.191  -7.191
  346    HD1  TYR  46           HD1      TYR  46   0.575  -5.214  -5.214
  347    HD2  TYR  46           HD2      TYR  46   2.569  -4.832  -4.832
  348    HE1  TYR  46           HE1      TYR  46  -0.048  -2.808  -2.808
  349    HE2  TYR  46           HE2      TYR  46   1.954  -2.433  -2.433
  350    HH   TYR  46           HH       TYR  46  -0.096  -1.024  -1.024
  351    H    ALA  47           HN       ALA  47   2.479  -7.609  -7.609
  352    HA   ALA  47           HA       ALA  47   2.290  -4.940  -4.940
  353   1HB   ALA  47           HB3      ALA  47   2.031  -7.785  -7.785
  354   2HB   ALA  47           HB2      ALA  47   1.696  -6.360  -6.360
  355   3HB   ALA  47           HB1      ALA  47   0.716  -6.697  -6.697
  356    H    LYS  48           HN       LYS  48   4.605  -7.584  -7.584
  357    HA   LYS  48           HA       LYS  48   6.209  -6.650  -6.650
  358   1HB   LYS  48           HB2      LYS  48   5.993  -8.889  -8.889
  359   2HB   LYS  48           HB1      LYS  48   7.649  -8.291  -8.291
  360   1HG   LYS  48           HG2      LYS  48   8.023  -9.454  -9.454
  361   2HG   LYS  48           HG1      LYS  48   7.126  -8.169  -8.169
  362   1HD   LYS  48           HD2      LYS  48   5.593  -9.706  -9.706
  363   2HD   LYS  48           HD1      LYS  48   5.172  -9.872  -9.872
  364   1HE   LYS  48           HE2      LYS  48   5.772 -12.071 -12.071
  365   2HE   LYS  48           HE1      LYS  48   7.368 -11.431 -11.431
  366   1HZ   LYS  48           HZ2      LYS  48   7.504 -10.728 -10.728
  367   2HZ   LYS  48           HZ1      LYS  48   6.216 -11.801 -11.801
  368   3HZ   LYS  48           HZ3      LYS  48   7.690 -12.383 -12.383
  369    H    ALA  49           HN       ALA  49   6.019  -5.939  -5.939
  370    HA   ALA  49           HA       ALA  49   8.633  -4.996  -4.996
  371   1HB   ALA  49           HB2      ALA  49   5.860  -4.576  -4.576
  372   2HB   ALA  49           HB1      ALA  49   7.040  -3.354  -3.354
  373   3HB   ALA  49           HB3      ALA  49   7.307  -5.046  -5.046
  374    H    ALA  50           HN       ALA  50   6.055  -3.577  -3.577
  375    HA   ALA  50           HA       ALA  50   6.991  -0.851  -0.851
  376   1HB   ALA  50           HB3      ALA  50   4.829  -2.315  -2.315
  377   2HB   ALA  50           HB2      ALA  50   5.637  -1.818  -1.818
  378   3HB   ALA  50           HB1      ALA  50   5.111  -0.604  -0.604
  379    H    GLY  51           HN       GLY  51   8.051  -3.728  -3.728
  380   1HA   GLY  51           HA2      GLY  51   9.470  -2.236  -2.236
  381   2HA   GLY  51           HA1      GLY  51   9.485  -3.985  -3.985
  382    H    LYS  52           HN       LYS  52  10.106  -3.440  -3.440
  383    HA   LYS  52           HA       LYS  52  12.876  -3.910  -3.910
  384   1HB   LYS  52           HB2      LYS  52  10.866  -2.814  -2.814
  385   2HB   LYS  52           HB1      LYS  52  12.571  -2.782  -2.782
  386   1HG   LYS  52           HG1      LYS  52  11.795  -5.343  -5.343
  387   2HG   LYS  52           HG2      LYS  52  10.849  -4.957  -4.957
  388   1HD   LYS  52           HD2      LYS  52  12.605  -5.558  -5.558
  389   2HD   LYS  52           HD1      LYS  52  13.538  -4.238  -4.238
  390   1HE   LYS  52           HE2      LYS  52  13.627  -6.126  -6.126
  391   2HE   LYS  52           HE1      LYS  52  13.702  -7.126  -7.126
  392   1HZ   LYS  52           HZ3      LYS  52  15.353  -5.446  -5.446
  393   2HZ   LYS  52           HZ2      LYS  52  15.436  -4.834  -4.834
  394   3HZ   LYS  52           HZ1      LYS  52  15.905  -6.435  -6.435
  395    H    LEU  53           HN       LEU  53  11.188  -0.774  -0.774
  396    HA   LEU  53           HA       LEU  53  13.525   0.845   0.845
  397   1HB   LEU  53           HB1      LEU  53  11.943   2.657   2.657
  398   2HB   LEU  53           HB2      LEU  53  11.203   1.514   1.514
  399    HG   LEU  53           HG       LEU  53  10.524   0.362   0.362
  400   1HD1  LEU  53          HD12      LEU  53  11.172   3.206   3.206
  401   2HD1  LEU  53          HD11      LEU  53   9.635   2.637   2.637
  402   3HD1  LEU  53          HD13      LEU  53  11.136   1.832   1.832
  403   1HD2  LEU  53          HD21      LEU  53   9.003   0.943   0.943
  404   2HD2  LEU  53          HD23      LEU  53   8.317   1.427   1.427
  405   3HD2  LEU  53          HD22      LEU  53   9.047   2.635   2.635
  406    H    LYS  54           HN       LYS  54  12.052  -0.661  -0.661
  407    HA   LYS  54           HA       LYS  54  13.040   1.051   1.051
  408   1HB   LYS  54           HB2      LYS  54  11.468  -1.183  -1.183
  409   2HB   LYS  54           HB1      LYS  54  12.926  -1.863  -1.863
  410   1HG   LYS  54           HG2      LYS  54  11.960   0.695   0.695
  411   2HG   LYS  54           HG1      LYS  54  10.958  -0.725  -0.725
  412   1HD   LYS  54           HD2      LYS  54  12.530  -1.721  -1.721
  413   2HD   LYS  54           HD1      LYS  54  13.874  -1.123  -1.123
  414   1HE   LYS  54           HE2      LYS  54  12.715   1.182   1.182
  415   2HE   LYS  54           HE1      LYS  54  12.791  -0.013  -0.013
  416   1HZ   LYS  54           HZ1      LYS  54  15.090  -0.506  -0.506
  417   2HZ   LYS  54           HZ3      LYS  54  15.008   0.768   0.768
  418   3HZ   LYS  54           HZ2      LYS  54  14.903   1.092   1.092
  419    H    ALA  55           HN       ALA  55  14.428  -1.905  -1.905
  420    HA   ALA  55           HA       ALA  55  16.963  -1.486  -1.486
  421   1HB   ALA  55           HB1      ALA  55  15.889  -3.715  -3.715
  422   2HB   ALA  55           HB3      ALA  55  16.047  -3.615  -3.615
  423   3HB   ALA  55           HB2      ALA  55  17.489  -3.700  -3.700
  424    H    GLU  56           HN       GLU  56  15.595  -0.793  -0.793
  425    HA   GLU  56           HA       GLU  56  18.255  -0.578  -0.578
  426   1HB   GLU  56           HB2      GLU  56  15.375  -0.295  -0.295
  427   2HB   GLU  56           HB1      GLU  56  16.749  -0.026  -0.026
  428   1HG   GLU  56           HG2      GLU  56  16.640  -2.565  -2.565
  429   2HG   GLU  56           HG1      GLU  56  15.621  -2.418  -2.418
  430    H    GLY  57           HN       GLY  57  15.687   1.431   1.431
  431   1HA   GLY  57           HA1      GLY  57  15.737   3.726   3.726
  432   2HA   GLY  57           HA2      GLY  57  17.422   3.760   3.760
  433    H    SER  58           HN       SER  58  14.582   2.760   2.760
  434    HA   SER  58           HA       SER  58  15.348   4.767   4.767
  435   1HB   SER  58           HB1      SER  58  14.014   2.112   2.112
  436   2HB   SER  58           HB2      SER  58  13.432   3.212   3.212
  437    HG   SER  58           HG       SER  58  15.267   1.819   1.819
  438    H    GLU  59           HN       GLU  59  13.304   5.646   5.646
  439    HA   GLU  59           HA       GLU  59  11.342   6.573   6.573
  440   1HB   GLU  59           HB2      GLU  59  12.640   8.391   8.391
  441   2HB   GLU  59           HB1      GLU  59  12.635   7.769   7.769
  442   1HG   GLU  59           HG2      GLU  59  10.352   9.013   9.013
  443   2HG   GLU  59           HG1      GLU  59  11.101   9.582   9.582
  444    H    ILE  60           HN       ILE  60  10.234   4.484   4.484
  445    HA   ILE  60           HA       ILE  60   8.491   4.785   4.785
  446    HB   ILE  60           HB       ILE  60   8.728   2.311   2.311
  447   1HG1  ILE  60          HG11      ILE  60  10.715   2.676   2.676
  448   2HG1  ILE  60          HG12      ILE  60   9.227   1.734   1.734
  449   1HG2  ILE  60          HG22      ILE  60  10.243   4.003   4.003
  450   2HG2  ILE  60          HG21      ILE  60  11.429   3.680   3.680
  451   3HG2  ILE  60          HG23      ILE  60  10.931   2.388   2.388
  452   1HD1  ILE  60          HD13      ILE  60  10.236   0.417   0.417
  453   2HD1  ILE  60          HD12      ILE  60  11.764   1.165   1.165
  454   3HD1  ILE  60          HD11      ILE  60  10.907   0.124   0.124
  455    H    ARG  61           HN       ARG  61   6.319   4.100   4.100
  456    HA   ARG  61           HA       ARG  61   5.660   3.131   3.131
  457   1HB   ARG  61           HB2      ARG  61   5.261   5.682   5.682
  458   2HB   ARG  61           HB1      ARG  61   3.697   4.906   4.906
  459   1HG   ARG  61           HG2      ARG  61   3.388   5.605   5.605
  460   2HG   ARG  61           HG1      ARG  61   4.151   4.049   4.049
  461   1HD   ARG  61           HD2      ARG  61   6.113   6.185   6.185
  462   2HD   ARG  61           HD1      ARG  61   5.070   6.489   6.489
  463    HE   ARG  61           HE       ARG  61   6.595   3.939   3.939
  464   1HH1  ARG  61          HH21      ARG  61   4.441   3.728   3.728
  465   2HH1  ARG  61          HH22      ARG  61   5.220   4.197   4.197
  466   1HH2  ARG  61          HH11      ARG  61   7.909   5.702   5.702
  467   2HH2  ARG  61          HH12      ARG  61   7.184   5.315   5.315
  468    H    LEU  62           HN       LEU  62   3.942   1.645   1.645
  469    HA   LEU  62           HA       LEU  62   2.726   0.870   0.870
  470   1HB   LEU  62           HB2      LEU  62   3.712  -0.789  -0.789
  471   2HB   LEU  62           HB1      LEU  62   2.761  -1.457  -1.457
  472    HG   LEU  62           HG       LEU  62   4.974   0.154   0.154
  473   1HD1  LEU  62          HD21      LEU  62   6.015  -0.596  -0.596
  474   2HD1  LEU  62          HD23      LEU  62   5.646  -2.267  -2.267
  475   3HD1  LEU  62          HD22      LEU  62   6.784  -1.339  -1.339
  476   1HD2  LEU  62          HD13      LEU  62   3.912  -2.648  -2.648
  477   2HD2  LEU  62          HD12      LEU  62   3.956  -1.340  -1.340
  478   3HD2  LEU  62          HD11      LEU  62   5.442  -2.179  -2.179
  479    H    ALA  63           HN       ALA  63   0.498   0.134   0.134
  480    HA   ALA  63           HA       ALA  63  -0.836   0.429   0.429
  481   1HB   ALA  63           HB1      ALA  63  -0.614   2.593   2.593
  482   2HB   ALA  63           HB3      ALA  63  -2.009   1.876   1.876
  483   3HB   ALA  63           HB2      ALA  63  -2.091   2.275   2.275
  484    H    LYS  64           HN       LYS  64  -3.297  -0.023  -0.023
  485    HA   LYS  64           HA       LYS  64  -3.951  -1.824  -1.824
  486   1HB   LYS  64           HB2      LYS  64  -4.425  -3.693  -3.693
  487   2HB   LYS  64           HB1      LYS  64  -2.723  -3.231  -3.231
  488   1HG   LYS  64           HG2      LYS  64  -3.476  -1.625  -1.625
  489   2HG   LYS  64           HG1      LYS  64  -4.861  -2.713  -2.713
  490   1HD   LYS  64           HD2      LYS  64  -2.060  -3.817  -3.817
  491   2HD   LYS  64           HD1      LYS  64  -2.752  -3.240  -3.240
  492   1HE   LYS  64           HE1      LYS  64  -4.751  -4.755  -4.755
  493   2HE   LYS  64           HE2      LYS  64  -3.787  -5.472  -5.472
  494   1HZ   LYS  64           HZ1      LYS  64  -2.817  -5.150  -5.150
  495   2HZ   LYS  64           HZ3      LYS  64  -3.516  -6.582  -6.582
  496   3HZ   LYS  64           HZ2      LYS  64  -2.064  -6.011  -6.011
  497    H    VAL  65           HN       VAL  65  -6.230  -1.997  -1.997
  498    HA   VAL  65           HA       VAL  65  -7.886  -0.524  -0.524
  499    HB   VAL  65           HB       VAL  65  -8.061  -0.560  -0.560
  500   1HG1  VAL  65          HG11      VAL  65 -10.277  -0.442  -0.442
  501   2HG1  VAL  65          HG13      VAL  65  -9.705   1.055   1.055
  502   3HG1  VAL  65          HG12      VAL  65  -9.924   0.960   0.960
  503   1HG2  VAL  65          HG23      VAL  65  -7.171   1.505   1.505
  504   2HG2  VAL  65          HG22      VAL  65  -6.247   0.841   0.841
  505   3HG2  VAL  65          HG21      VAL  65  -7.604   1.924   1.924
  506    H    ASP  66           HN       ASP  66 -10.067  -1.296  -1.296
  507    HA   ASP  66           HA       ASP  66 -10.402  -4.151  -4.151
  508   1HB   ASP  66           HB2      ASP  66 -10.967  -2.502  -2.502
  509   2HB   ASP  66           HB1      ASP  66 -12.435  -3.309  -3.309
  510    H    ALA  67           HN       ALA  67 -11.198  -3.855  -3.855
  511    HA   ALA  67           HA       ALA  67 -13.001  -1.998  -1.998
  512   1HB   ALA  67           HB3      ALA  67 -12.002  -4.630  -4.630
  513   2HB   ALA  67           HB2      ALA  67 -13.710  -4.542  -4.542
  514   3HB   ALA  67           HB1      ALA  67 -12.569  -3.385  -3.385
  515    H    THR  68           HN       THR  68 -13.687  -4.631  -4.631
  516    HA   THR  68           HA       THR  68 -16.535  -4.760  -4.760
  517    HB   THR  68           HB       THR  68 -16.246  -5.661  -5.661
  518    HG1  THR  68           HG1      THR  68 -14.291  -5.240  -5.240
  519   1HG2  THR  68          HG22      THR  68 -16.602  -6.993  -6.993
  520   2HG2  THR  68          HG21      THR  68 -14.852  -7.024  -7.024
  521   3HG2  THR  68          HG23      THR  68 -15.580  -7.802  -7.802
  522    H    GLU  69           HN       GLU  69 -14.495  -2.424  -2.424
  523    HA   GLU  69           HA       GLU  69 -16.951  -1.166  -1.166
  524   1HB   GLU  69           HB2      GLU  69 -14.536  -2.130  -2.130
  525   2HB   GLU  69           HB1      GLU  69 -14.555  -0.373  -0.373
  526   1HG   GLU  69           HG2      GLU  69 -16.614  -0.383  -0.383
  527   2HG   GLU  69           HG1      GLU  69 -16.986  -2.031  -2.031
  528    H    GLU  70           HN       GLU  70 -14.026  -0.817  -0.817
  529    HA   GLU  70           HA       GLU  70 -14.388   2.129   2.129
  530   1HB   GLU  70           HB1      GLU  70 -12.131   0.179   0.179
  531   2HB   GLU  70           HB2      GLU  70 -12.014   1.900   1.900
  532   1HG   GLU  70           HG2      GLU  70 -11.539   2.263   2.263
  533   2HG   GLU  70           HG1      GLU  70 -13.100   1.584   1.584
  534    H    SER  71           HN       SER  71 -15.926  -0.027  -0.027
  535    HA   SER  71           HA       SER  71 -15.145  -0.409  -0.409
  536   1HB   SER  71           HB2      SER  71 -17.384  -0.787  -0.787
  537   2HB   SER  71           HB1      SER  71 -17.949   0.423   0.423
  538    HG   SER  71           HG       SER  71 -17.513  -0.935  -0.935
  539    H    ASP  72           HN       ASP  72 -16.601   2.502   2.502
  540    HA   ASP  72           HA       ASP  72 -17.015   3.995   3.995
  541   1HB   ASP  72           HB1      ASP  72 -16.055   5.506   5.506
  542   2HB   ASP  72           HB2      ASP  72 -17.298   4.321   4.321
  543    H    LEU  73           HN       LEU  73 -14.112   3.334   3.334
  544    HA   LEU  73           HA       LEU  73 -12.451   5.345   5.345
  545   1HB   LEU  73           HB1      LEU  73 -12.233   4.100   4.100
  546   2HB   LEU  73           HB2      LEU  73 -11.525   2.796   2.796
  547    HG   LEU  73           HG       LEU  73  -9.797   4.316   4.316
  548   1HD1  LEU  73          HD21      LEU  73 -11.582   6.320   6.320
  549   2HD1  LEU  73          HD23      LEU  73  -9.857   6.592   6.592
  550   3HD1  LEU  73          HD22      LEU  73 -10.509   6.480   6.480
  551   1HD2  LEU  73          HD13      LEU  73 -10.240   4.125   4.125
  552   2HD2  LEU  73          HD12      LEU  73  -9.062   3.275   3.275
  553   3HD2  LEU  73          HD11      LEU  73  -8.833   4.983   4.983
  554    H    ALA  74           HN       ALA  74 -12.786   1.811   1.811
  555    HA   ALA  74           HA       ALA  74 -10.949   1.529   1.529
  556   1HB   ALA  74           HB2      ALA  74 -12.813  -0.036  -0.036
  557   2HB   ALA  74           HB1      ALA  74 -12.939  -0.473  -0.473
  558   3HB   ALA  74           HB3      ALA  74 -11.384  -0.580  -0.580
  559    H    GLN  75           HN       GLN  75 -14.312   2.482   2.482
  560    HA   GLN  75           HA       GLN  75 -15.015   2.050   2.050
  561   1HB   GLN  75           HB2      GLN  75 -16.625   2.223   2.223
  562   2HB   GLN  75           HB1      GLN  75 -16.135   3.897   3.897
  563   1HG   GLN  75           HG2      GLN  75 -16.847   4.438   4.438
  564   2HG   GLN  75           HG1      GLN  75 -17.429   2.782   2.782
  565   1HE2  GLN  75          HE22      GLN  75 -20.515   3.595   3.595
  566   2HE2  GLN  75          HE21      GLN  75 -19.640   2.637   2.637
  567    H    GLN  76           HN       GLN  76 -13.767   4.814   4.814
  568    HA   GLN  76           HA       GLN  76 -13.968   6.797   6.797
  569   1HB   GLN  76           HB1      GLN  76 -13.114   6.578   6.578
  570   2HB   GLN  76           HB2      GLN  76 -11.638   6.993   6.993
  571   1HG   GLN  76           HG1      GLN  76 -12.514   9.022   9.022
  572   2HG   GLN  76           HG2      GLN  76 -14.183   8.497   8.497
  573   1HE2  GLN  76          HE22      GLN  76 -13.209  10.826  10.826
  574   2HE2  GLN  76          HE21      GLN  76 -13.185  10.967  10.967
  575    H    TYR  77           HN       TYR  77 -11.628   4.239   4.239
  576    HA   TYR  77           HA       TYR  77  -9.802   5.290   5.290
  577   1HB   TYR  77           HB2      TYR  77  -9.681   2.918   2.918
  578   2HB   TYR  77           HB1      TYR  77  -8.362   3.469   3.469
  579    HD1  TYR  77           HD1      TYR  77  -8.234   6.278   6.278
  580    HD2  TYR  77           HD2      TYR  77  -9.348   3.503   3.503
  581    HE1  TYR  77           HE1      TYR  77  -7.583   7.936   7.936
  582    HE2  TYR  77           HE2      TYR  77  -8.696   5.161   5.161
  583    HH   TYR  77           HH       TYR  77  -8.363   8.303   8.303
  584    H    GLY  78           HN       GLY  78 -12.427   3.086   3.086
  585   1HA   GLY  78           HA1      GLY  78 -13.359   1.586   1.586
  586   2HA   GLY  78           HA2      GLY  78 -12.314   2.321   2.321
  587    H    VAL  79           HN       VAL  79 -11.799   0.329   0.329
  588    HA   VAL  79           HA       VAL  79  -9.438  -0.959  -0.959
  589    HB   VAL  79           HB       VAL  79  -9.900  -2.491  -2.491
  590   1HG1  VAL  79          HG23      VAL  79  -9.838   0.345   0.345
  591   2HG1  VAL  79          HG22      VAL  79 -10.991  -0.207  -0.207
  592   3HG1  VAL  79          HG21      VAL  79  -9.333  -0.808  -0.808
  593   1HG2  VAL  79          HG13      VAL  79 -12.659  -1.229  -1.229
  594   2HG2  VAL  79          HG12      VAL  79 -12.286  -2.888  -2.888
  595   3HG2  VAL  79          HG11      VAL  79 -12.066  -2.374  -2.374
  596    H    ARG  80           HN       ARG  80  -9.242  -3.256  -3.256
  597    HA   ARG  80           HA       ARG  80 -11.486  -4.036  -4.036
  598   1HB   ARG  80           HB1      ARG  80  -8.531  -4.699  -4.699
  599   2HB   ARG  80           HB2      ARG  80  -9.629  -5.444  -5.444
  600   1HG   ARG  80           HG2      ARG  80 -10.268  -3.060  -3.060
  601   2HG   ARG  80           HG1      ARG  80  -8.868  -2.527  -2.527
  602   1HD   ARG  80           HD2      ARG  80  -8.170  -4.759  -4.759
  603   2HD   ARG  80           HD1      ARG  80  -8.826  -3.395  -3.395
  604    HE   ARG  80           HE       ARG  80  -7.181  -2.012  -2.012
  605   1HH1  ARG  80          HH11      ARG  80  -6.127  -4.871  -4.871
  606   2HH1  ARG  80          HH12      ARG  80  -4.665  -4.898  -4.898
  607   1HH2  ARG  80          HH21      ARG  80  -5.542  -2.169  -2.169
  608   2HH2  ARG  80          HH22      ARG  80  -4.333  -3.368  -3.368
  609    H    GLY  81           HN       GLY  81  -9.568  -5.130  -5.130
  610   1HA   GLY  81           HA2      GLY  81 -11.445  -6.991  -6.991
  611   2HA   GLY  81           HA1      GLY  81 -10.353  -7.899  -7.899
  612    H    TYR  82           HN       TYR  82 -10.650  -8.064  -8.064
  613    HA   TYR  82           HA       TYR  82  -8.253  -6.810  -6.810
  614   1HB   TYR  82           HB2      TYR  82 -10.027  -9.001  -9.001
  615   2HB   TYR  82           HB1      TYR  82  -9.000  -7.901  -7.901
  616    HD1  TYR  82           HD1      TYR  82  -9.617  -5.344  -5.344
  617    HD2  TYR  82           HD2      TYR  82 -12.162  -8.462  -8.462
  618    HE1  TYR  82           HE1      TYR  82 -11.498  -3.734  -3.734
  619    HE2  TYR  82           HE2      TYR  82 -14.042  -6.855  -6.855
  620    HH   TYR  82           HH       TYR  82 -13.572  -3.410  -3.410
  621    HA   PRO  83           HA       PRO  83  -6.929  -7.162  -7.162
  622   1HB   PRO  83           HB2      PRO  83  -4.221  -7.292  -7.292
  623   2HB   PRO  83           HB1      PRO  83  -5.343  -8.319  -8.319
  624   1HG   PRO  83           HG2      PRO  83  -3.550  -9.001  -9.001
  625   2HG   PRO  83           HG1      PRO  83  -4.232 -10.037 -10.037
  626   1HD   PRO  83           HD2      PRO  83  -5.101  -9.775  -9.775
  627   2HD   PRO  83           HD1      PRO  83  -5.854 -10.729 -10.729
  628    H    THR  84           HN       THR  84  -6.851  -5.095  -5.095
  629    HA   THR  84           HA       THR  84  -5.262  -4.676  -4.676
  630    HB   THR  84           HB       THR  84  -7.184  -2.698  -2.698
  631    HG1  THR  84           HG1      THR  84  -7.898  -5.064  -5.064
  632   1HG2  THR  84          HG23      THR  84  -5.752  -2.708  -2.708
  633   2HG2  THR  84          HG22      THR  84  -7.202  -3.539  -3.539
  634   3HG2  THR  84          HG21      THR  84  -7.326  -1.925  -1.925
  635    H    ILE  85           HN       ILE  85  -3.172  -4.192  -4.192
  636    HA   ILE  85           HA       ILE  85  -2.812  -2.243  -2.243
  637    HB   ILE  85           HB       ILE  85  -0.933  -3.939  -3.939
  638   1HG1  ILE  85          HG11      ILE  85  -0.697  -4.986  -4.986
  639   2HG1  ILE  85          HG12      ILE  85  -2.267  -4.231  -4.231
  640   1HG2  ILE  85          HG21      ILE  85  -0.426  -1.695  -1.695
  641   2HG2  ILE  85          HG23      ILE  85   0.308  -3.168  -3.168
  642   3HG2  ILE  85          HG22      ILE  85   0.712  -2.608  -2.608
  643   1HD1  ILE  85          HD12      ILE  85  -2.080  -5.669  -5.669
  644   2HD1  ILE  85          HD11      ILE  85  -1.888  -6.709  -6.709
  645   3HD1  ILE  85          HD13      ILE  85  -3.342  -5.726  -5.726
  646    H    LYS  86           HN       LYS  86  -2.070  -0.151  -0.151
  647    HA   LYS  86           HA       LYS  86  -1.312   0.617   0.617
  648   1HB   LYS  86           HB1      LYS  86  -2.977   2.248   2.248
  649   2HB   LYS  86           HB2      LYS  86  -2.664   2.616   2.616
  650   1HG   LYS  86           HG2      LYS  86  -3.801   0.412   0.412
  651   2HG   LYS  86           HG1      LYS  86  -4.314   0.335   0.335
  652   1HD   LYS  86           HD2      LYS  86  -6.026   1.724   1.724
  653   2HD   LYS  86           HD1      LYS  86  -4.889   2.959   2.959
  654   1HE   LYS  86           HE2      LYS  86  -5.832   2.673   2.673
  655   2HE   LYS  86           HE1      LYS  86  -4.924   1.150   1.150
  656   1HZ   LYS  86           HZ1      LYS  86  -7.608   1.488   1.488
  657   2HZ   LYS  86           HZ3      LYS  86  -7.340   0.823   0.823
  658   3HZ   LYS  86           HZ2      LYS  86  -6.747   0.031   0.031
  659    H    PHE  87           HN       PHE  87  -0.036   2.698   2.698
  660    HA   PHE  87           HA       PHE  87   1.458   3.118   3.118
  661   1HB   PHE  87           HB2      PHE  87   2.754   1.685   1.685
  662   2HB   PHE  87           HB1      PHE  87   2.478   2.761   2.761
  663    HD1  PHE  87           HD1      PHE  87   3.360   3.594   3.594
  664    HD2  PHE  87           HD2      PHE  87   4.608   3.588   3.588
  665    HE1  PHE  87           HE1      PHE  87   5.377   4.900   4.900
  666    HE2  PHE  87           HE2      PHE  87   6.626   4.892   4.892
  667    HZ   PHE  87           HZ       PHE  87   7.011   5.548   5.548
  668    H    PHE  88           HN       PHE  88   1.382   5.257   5.257
  669    HA   PHE  88           HA       PHE  88   0.964   7.285   7.285
  670   1HB   PHE  88           HB2      PHE  88  -0.081   6.905   6.905
  671   2HB   PHE  88           HB1      PHE  88   0.012   8.534   8.534
  672    HD1  PHE  88           HD1      PHE  88  -1.052   5.098   5.098
  673    HD2  PHE  88           HD2      PHE  88  -1.856   9.317   9.317
  674    HE1  PHE  88           HE1      PHE  88  -3.130   4.687   4.687
  675    HE2  PHE  88           HE2      PHE  88  -3.932   8.907   8.907
  676    HZ   PHE  88           HZ       PHE  88  -4.551   6.577   6.577
  677    H    ARG  89           HN       ARG  89   2.210   9.226   9.226
  678    HA   ARG  89           HA       ARG  89   4.470   9.125   9.125
  679   1HB   ARG  89           HB1      ARG  89   4.832   8.642   8.642
  680   2HB   ARG  89           HB2      ARG  89   4.561  10.370  10.370
  681   1HG   ARG  89           HG2      ARG  89   6.353  10.737  10.737
  682   2HG   ARG  89           HG1      ARG  89   6.740   9.025   9.025
  683   1HD   ARG  89           HD2      ARG  89   8.077   9.618   9.618
  684   2HD   ARG  89           HD1      ARG  89   6.601  10.026  10.026
  685    HE   ARG  89           HE       ARG  89   6.962  12.233  12.233
  686   1HH1  ARG  89          HH11      ARG  89   8.138  11.035  11.035
  687   2HH1  ARG  89          HH12      ARG  89   9.470  12.134  12.134
  688   1HH2  ARG  89          HH21      ARG  89   9.054  13.417  13.417
  689   2HH2  ARG  89          HH22      ARG  89   9.989  13.482  13.482
  690    H    ASN  90           HN       ASN  90   4.198  10.773  10.773
  691    HA   ASN  90           HA       ASN  90   3.614  12.892  12.892
  692   1HB   ASN  90           HB2      ASN  90   5.574  13.291  13.291
  693   2HB   ASN  90           HB1      ASN  90   4.438  13.691  13.691
  694   1HD2  ASN  90          HD22      ASN  90   3.812  16.944  16.944
  695   2HD2  ASN  90          HD21      ASN  90   3.498  15.788  15.788
  696    H    GLY  91           HN       GLY  91   1.271  11.753  11.753
  697   1HA   GLY  91           HA2      GLY  91  -0.958  12.140  12.140
  698   2HA   GLY  91           HA1      GLY  91  -0.526  13.848  13.848
  699    H    ASP  92           HN       ASP  92  -0.923  11.053  11.053
  700    HA   ASP  92           HA       ASP  92  -0.096  12.544  12.544
  701   1HB   ASP  92           HB2      ASP  92  -0.365   9.822   9.822
  702   2HB   ASP  92           HB1      ASP  92  -1.330  10.040  10.040
  703    H    THR  93           HN       THR  93  -3.016  10.673  10.673
  704    HA   THR  93           HA       THR  93  -5.259  10.917  10.917
  705    HB   THR  93           HB       THR  93  -6.114  13.118  13.118
  706    HG1  THR  93           HG1      THR  93  -4.693  14.832  14.832
  707   1HG2  THR  93          HG23      THR  93  -3.763  12.225  12.225
  708   2HG2  THR  93          HG22      THR  93  -4.949  13.420  13.420
  709   3HG2  THR  93          HG21      THR  93  -5.454  11.762  11.762
  710    H    ALA  94           HN       ALA  94  -3.289  10.939  10.939
  711    HA   ALA  94           HA       ALA  94  -4.995  12.098  12.098
  712   1HB   ALA  94           HB3      ALA  94  -2.238  13.189  13.189
  713   2HB   ALA  94           HB2      ALA  94  -3.157  13.596  13.596
  714   3HB   ALA  94           HB1      ALA  94  -3.766  14.058  14.058
  715    H    SER  95           HN       SER  95  -1.515  11.354  11.354
  716    HA   SER  95           HA       SER  95  -1.933   9.184   9.184
  717   1HB   SER  95           HB2      SER  95  -0.066  11.486  11.486
  718   2HB   SER  95           HB1      SER  95   0.635   9.980   9.980
  719    HG   SER  95           HG       SER  95  -0.157  10.840  10.840
  720    HA   PRO  96           HA       PRO  96   0.171   7.591   7.591
  721   1HB   PRO  96           HB2      PRO  96  -1.635   5.620   5.620
  722   2HB   PRO  96           HB1      PRO  96  -1.778   7.274   7.274
  723   1HG   PRO  96           HG2      PRO  96  -3.199   5.962   5.962
  724   2HG   PRO  96           HG1      PRO  96  -3.804   7.124   7.124
  725   1HD   PRO  96           HD2      PRO  96  -3.111   7.786   7.786
  726   2HD   PRO  96           HD1      PRO  96  -3.083   8.925   8.925
  727    H    LYS  97           HN       LYS  97   0.899   5.216   5.216
  728    HA   LYS  97           HA       LYS  97   1.252   3.983   3.983
  729   1HB   LYS  97           HB2      LYS  97   2.905   4.371   4.371
  730   2HB   LYS  97           HB1      LYS  97   3.153   2.861   2.861
  731   1HG   LYS  97           HG2      LYS  97   3.191   5.599   5.599
  732   2HG   LYS  97           HG1      LYS  97   4.641   4.743   4.743
  733   1HD   LYS  97           HD2      LYS  97   3.731   2.774   2.774
  734   2HD   LYS  97           HD1      LYS  97   2.718   4.002   4.002
  735   1HE   LYS  97           HE2      LYS  97   4.826   5.350   5.350
  736   2HE   LYS  97           HE1      LYS  97   5.751   3.931   3.931
  737   1HZ   LYS  97           HZ2      LYS  97   3.642   3.853   3.853
  738   2HZ   LYS  97           HZ1      LYS  97   5.302   3.981   3.981
  739   3HZ   LYS  97           HZ3      LYS  97   4.702   2.598   2.598
  740    H    GLU  98           HN       GLU  98   1.127   1.631   1.631
  741    HA   GLU  98           HA       GLU  98  -0.639   0.453   0.453
  742   1HB   GLU  98           HB2      GLU  98  -1.498   0.723   0.723
  743   2HB   GLU  98           HB1      GLU  98  -0.200  -0.331  -0.331
  744   1HG   GLU  98           HG2      GLU  98  -1.990  -1.825  -1.825
  745   2HG   GLU  98           HG1      GLU  98  -1.111  -2.005  -2.005
  746    H    TYR  99           HN       TYR  99   0.016  -1.439  -1.439
  747    HA   TYR  99           HA       TYR  99   2.796  -2.235  -2.235
  748   1HB   TYR  99           HB1      TYR  99   1.221  -2.297  -2.297
  749   2HB   TYR  99           HB2      TYR  99   0.431  -3.681  -3.681
  750    HD1  TYR  99           HD1      TYR  99   3.935  -2.521  -2.521
  751    HD2  TYR  99           HD2      TYR  99   1.133  -5.776  -5.776
  752    HE1  TYR  99           HE1      TYR  99   5.680  -4.021  -4.021
  753    HE2  TYR  99           HE2      TYR  99   2.877  -7.278  -7.278
  754    HH   TYR  99           HH       TYR  99   4.989  -7.453  -7.453
  755    H    THR 100           HN       THR 100   3.594  -4.330  -4.330
  756    HA   THR 100           HA       THR 100   1.825  -5.684  -5.684
  757    HB   THR 100           HB       THR 100   4.060  -6.104  -6.104
  758    HG1  THR 100           HG1      THR 100   5.747  -4.749  -4.749
  759   1HG2  THR 100          HG21      THR 100   2.348  -4.161  -4.161
  760   2HG2  THR 100          HG23      THR 100   3.604  -3.156  -3.156
  761   3HG2  THR 100          HG22      THR 100   3.943  -4.070  -4.070
  762    H    ALA 101           HN       ALA 101   4.771  -6.193  -6.193
  763    HA   ALA 101           HA       ALA 101   4.732  -9.046  -9.046
  764   1HB   ALA 101           HB2      ALA 101   6.323  -7.017  -7.017
  765   2HB   ALA 101           HB1      ALA 101   5.729  -7.780  -7.780
  766   3HB   ALA 101           HB3      ALA 101   6.600  -8.736  -8.736
  767    H    GLY 102           HN       GLY 102   4.810  -9.689  -9.689
  768   1HA   GLY 102           HA2      GLY 102   2.929  -9.097  -9.097
  769   2HA   GLY 102           HA1      GLY 102   1.892  -9.772  -9.772
  770    H    ARG 103           HN       ARG 103   4.988 -10.640 -10.640
  771    HA   ARG 103           HA       ARG 103   3.937 -13.441 -13.441
  772   1HB   ARG 103           HB1      ARG 103   5.745 -13.067 -13.067
  773   2HB   ARG 103           HB2      ARG 103   6.788 -12.480 -12.480
  774   1HG   ARG 103           HG2      ARG 103   7.420 -14.629 -14.629
  775   2HG   ARG 103           HG1      ARG 103   5.815 -14.904 -14.904
  776   1HD   ARG 103           HD2      ARG 103   6.262 -16.521 -16.521
  777   2HD   ARG 103           HD1      ARG 103   4.964 -15.410 -15.410
  778    HE   ARG 103           HE       ARG 103   7.577 -14.369 -14.369
  779   1HH1  ARG 103          HH11      ARG 103   5.268 -13.958 -13.958
  780   2HH1  ARG 103          HH12      ARG 103   5.556 -15.069 -15.069
  781   1HH2  ARG 103          HH21      ARG 103   7.879 -16.941 -16.941
  782   2HH2  ARG 103          HH22      ARG 103   7.033 -16.757 -16.757
  783    H    GLU 104           HN       GLU 104   6.333 -11.166 -11.166
  784    HA   GLU 104           HA       GLU 104   5.495 -11.870 -11.870
  785   1HB   GLU 104           HB1      GLU 104   8.218 -12.424 -12.424
  786   2HB   GLU 104           HB2      GLU 104   7.933 -12.395 -12.395
  787   1HG   GLU 104           HG2      GLU 104   5.967 -14.052 -14.052
  788   2HG   GLU 104           HG1      GLU 104   6.935 -14.341 -14.341
  789    H    ALA 105           HN       ALA 105   6.661 -10.404 -10.404
  790    HA   ALA 105           HA       ALA 105   6.481  -7.693  -7.693
  791   1HB   ALA 105           HB3      ALA 105   7.197  -9.229  -9.229
  792   2HB   ALA 105           HB2      ALA 105   8.797  -8.639  -8.639
  793   3HB   ALA 105           HB1      ALA 105   7.522  -7.497  -7.497
  794    H    ASP 106           HN       ASP 106   9.136  -9.805  -9.805
  795    HA   ASP 106           HA       ASP 106  11.076  -7.779  -7.779
  796   1HB   ASP 106           HB2      ASP 106  10.530 -10.582 -10.582
  797   2HB   ASP 106           HB1      ASP 106  11.956  -9.664  -9.664
  798    H    ASP 107           HN       ASP 107   8.700  -9.455  -9.455
  799    HA   ASP 107           HA       ASP 107   9.283  -8.100  -8.100
  800   1HB   ASP 107           HB2      ASP 107   7.075  -9.659  -9.659
  801   2HB   ASP 107           HB1      ASP 107   6.604  -8.621  -8.621
  802    H    ILE 108           HN       ILE 108   7.576  -7.068  -7.068
  803    HA   ILE 108           HA       ILE 108   6.158  -4.841  -4.841
  804    HB   ILE 108           HB       ILE 108   6.952  -5.356  -5.356
  805   1HG1  ILE 108          HG12      ILE 108   5.772  -7.296  -7.296
  806   2HG1  ILE 108          HG11      ILE 108   4.744  -6.459  -6.459
  807   1HG2  ILE 108          HG21      ILE 108   4.897  -3.603  -3.603
  808   2HG2  ILE 108          HG23      ILE 108   4.729  -4.095  -4.095
  809   3HG2  ILE 108          HG22      ILE 108   6.123  -3.140  -3.140
  810   1HD1  ILE 108          HD13      ILE 108   4.294  -5.183  -5.183
  811   2HD1  ILE 108          HD12      ILE 108   4.294  -6.913  -6.913
  812   3HD1  ILE 108          HD11      ILE 108   3.190  -6.255  -6.255
  813    H    VAL 109           HN       VAL 109   8.994  -5.026  -5.026
  814    HA   VAL 109           HA       VAL 109   9.707  -2.263  -2.263
  815    HB   VAL 109           HB       VAL 109  11.328  -4.775  -4.775
  816   1HG1  VAL 109          HG23      VAL 109  11.951  -1.839  -1.839
  817   2HG1  VAL 109          HG22      VAL 109  12.721  -3.023  -3.023
  818   3HG1  VAL 109          HG21      VAL 109  12.950  -3.119  -3.119
  819   1HG2  VAL 109          HG12      VAL 109   9.309  -4.245  -4.245
  820   2HG2  VAL 109          HG11      VAL 109  10.851  -4.378  -4.378
  821   3HG2  VAL 109          HG13      VAL 109  10.169  -2.789  -2.789
  822    H    ASN 110           HN       ASN 110  10.612  -5.092  -5.092
  823    HA   ASN 110           HA       ASN 110  12.695  -3.971  -3.971
  824   1HB   ASN 110           HB1      ASN 110  10.864  -6.217  -6.217
  825   2HB   ASN 110           HB2      ASN 110  11.126  -5.614  -5.614
  826   1HD2  ASN 110          HD22      ASN 110  14.623  -6.514  -6.514
  827   2HD2  ASN 110          HD21      ASN 110  13.478  -5.509  -5.509
  828    H    TRP 111           HN       TRP 111   9.174  -3.794  -3.794
  829    HA   TRP 111           HA       TRP 111   9.261  -2.330  -2.330
  830   1HB   TRP 111           HB1      TRP 111   7.386  -3.688  -3.688
  831   2HB   TRP 111           HB2      TRP 111   7.018  -2.093  -2.093
  832    HD1  TRP 111           HD1      TRP 111   6.458  -4.231  -4.231
  833    HE1  TRP 111           HE1      TRP 111   5.309  -2.885  -2.885
  834    HE3  TRP 111           HE3      TRP 111   6.996   0.498   0.498
  835    HZ2  TRP 111           HZ2      TRP 111   4.699  -0.163  -0.163
  836    HZ3  TRP 111           HZ3      TRP 111   6.123   2.447   2.447
  837    HH2  TRP 111           HH2      TRP 111   4.976   2.123   2.123
  838    H    LEU 112           HN       LEU 112   9.195  -1.416  -1.416
  839    HA   LEU 112           HA       LEU 112   8.820   1.432   1.432
  840   1HB   LEU 112           HB1      LEU 112   9.543  -0.372  -0.372
  841   2HB   LEU 112           HB2      LEU 112   9.692   1.376   1.376
  842    HG   LEU 112           HG       LEU 112   7.166   0.084   0.084
  843   1HD1  LEU 112          HD11      LEU 112   7.852  -0.735  -0.735
  844   2HD1  LEU 112          HD13      LEU 112   7.650   0.932   0.932
  845   3HD1  LEU 112          HD12      LEU 112   6.273   0.042   0.042
  846   1HD2  LEU 112          HD23      LEU 112   7.877   2.643   2.643
  847   2HD2  LEU 112          HD22      LEU 112   6.218   2.185   2.185
  848   3HD2  LEU 112          HD21      LEU 112   7.330   2.649   2.649
  849    H    LYS 113           HN       LYS 113  11.610  -0.694  -0.694
  850    HA   LYS 113           HA       LYS 113  13.519   1.539   1.539
  851   1HB   LYS 113           HB2      LYS 113  13.381  -1.224  -1.224
  852   2HB   LYS 113           HB1      LYS 113  14.769  -1.002  -1.002
  853   1HG   LYS 113           HG2      LYS 113  15.773   0.571   0.571
  854   2HG   LYS 113           HG1      LYS 113  14.252   0.951   0.951
  855   1HD   LYS 113           HD2      LYS 113  14.422  -1.668  -1.668
  856   2HD   LYS 113           HD1      LYS 113  16.140  -1.298  -1.298
  857   1HE   LYS 113           HE2      LYS 113  15.332   0.845   0.845
  858   2HE   LYS 113           HE1      LYS 113  14.179  -0.379  -0.379
  859   1HZ   LYS 113           HZ1      LYS 113  17.087  -0.899  -0.899
  860   2HZ   LYS 113           HZ3      LYS 113  16.384  -0.362  -0.362
  861   3HZ   LYS 113           HZ2      LYS 113  15.927  -1.859  -1.859
  862    H    LYS 114           HN       LYS 114  11.808   0.021   0.021
  863    HA   LYS 114           HA       LYS 114  13.763  -0.643  -0.643
  864   1HB   LYS 114           HB2      LYS 114  11.314  -1.162  -1.162
  865   2HB   LYS 114           HB1      LYS 114  10.989   0.539   0.539
  866   1HG   LYS 114           HG2      LYS 114  11.144  -0.033  -0.033
  867   2HG   LYS 114           HG1      LYS 114  12.883  -0.101  -0.101
  868   1HD   LYS 114           HD2      LYS 114  12.921  -2.405  -2.405
  869   2HD   LYS 114           HD1      LYS 114  11.274  -2.508  -2.508
  870   1HE   LYS 114           HE2      LYS 114  10.727  -1.473  -1.473
  871   2HE   LYS 114           HE1      LYS 114  12.213  -2.361  -2.361
  872   1HZ   LYS 114           HZ1      LYS 114  11.297  -4.306  -4.306
  873   2HZ   LYS 114           HZ3      LYS 114   9.864  -3.462  -3.462
  874   3HZ   LYS 114           HZ2      LYS 114  10.287  -3.816  -3.816
  875    H    ARG 115           HN       ARG 115  12.398   2.460   2.460
  876    HA   ARG 115           HA       ARG 115  13.754   3.865   3.865
  877   1HB   ARG 115           HB2      ARG 115  11.481   4.247   4.247
  878   2HB   ARG 115           HB1      ARG 115  12.533   5.662   5.662
  879   1HG   ARG 115           HG2      ARG 115  11.176   6.161   6.161
  880   2HG   ARG 115           HG1      ARG 115  12.571   5.409   5.409
  881   1HD   ARG 115           HD2      ARG 115  10.694   3.358   3.358
  882   2HD   ARG 115           HD1      ARG 115   9.878   4.575   4.575
  883    HE   ARG 115           HE       ARG 115  12.482   3.929   3.929
  884   1HH1  ARG 115          HH11      ARG 115   9.630   4.251   4.251
  885   2HH1  ARG 115          HH12      ARG 115   9.478   2.700   2.700
  886   1HH2  ARG 115          HH21      ARG 115  12.127   1.298   1.298
  887   2HH2  ARG 115          HH22      ARG 115  10.891   1.029   1.029
  888    H    THR 116           HN       THR 116  14.116   3.240   3.240
  889    HA   THR 116           HA       THR 116  16.519   5.040   5.040
  890    HB   THR 116           HB       THR 116  15.941   5.185   5.185
  891    HG1  THR 116           HG1      THR 116  13.453   4.204   4.204
  892   1HG2  THR 116          HG23      THR 116  15.299   6.827   6.827
  893   2HG2  THR 116          HG22      THR 116  13.668   6.207   6.207
  894   3HG2  THR 116          HG21      THR 116  14.522   7.007   7.007
  895    H    GLY 117           HN       GLY 117  17.174   2.641   2.641
  896   1HA   GLY 117           HA1      GLY 117  18.516   1.364   1.364
  897   2HA   GLY 117           HA2      GLY 117  17.435   0.335   0.335
  898    HA   PRO 118           HA       PRO 118  21.692   0.643   0.643
  899   1HB   PRO 118           HB2      PRO 118  22.539  -1.915  -1.915
  900   2HB   PRO 118           HB1      PRO 118  22.862  -0.569  -0.569
  901   1HG   PRO 118           HG2      PRO 118  20.802  -2.716  -2.716
  902   2HG   PRO 118           HG1      PRO 118  21.757  -1.971  -1.971
  903   1HD   PRO 118           HD2      PRO 118  19.149  -1.342  -1.342
  904   2HD   PRO 118           HD1      PRO 118  20.305  -0.225  -0.225
  905    H    ALA 119           HN       ALA 119  19.587   0.569   0.569
  906    HA   ALA 119           HA       ALA 119  18.603  -0.377  -0.377
  907   1HB   ALA 119           HB2      ALA 119  21.413  -0.891  -0.891
  908   2HB   ALA 119           HB1      ALA 119  20.631  -2.311  -2.311
  909   3HB   ALA 119           HB3      ALA 119  20.396  -0.726  -0.726
  910    H    ALA 120           HN       ALA 120  18.810  -3.038  -3.038
  911    HA   ALA 120           HA       ALA 120  17.974  -4.789  -4.789
  912   1HB   ALA 120           HB2      ALA 120  16.014  -3.478  -3.478
  913   2HB   ALA 120           HB1      ALA 120  16.278  -4.248  -4.248
  914   3HB   ALA 120           HB3      ALA 120  15.828  -5.225  -5.225

  Start of MODEL   16
    1   1H    ASP   1           HT1      ASP   1  -9.364  -3.799  -3.799
    2   2H    ASP   1           HT3      ASP   1  -7.890  -4.622  -4.622
    3   3H    ASP   1           HT2      ASP   1  -9.109  -5.252  -5.252
    4    HA   ASP   1           HA       ASP   1 -10.435  -5.909  -5.909
    5   1HB   ASP   1           HB2      ASP   1  -8.629  -7.055  -7.055
    6   2HB   ASP   1           HB1      ASP   1  -7.463  -6.245  -6.245
    7    H    ALA   2           HN       ALA   2  -7.983  -3.545  -3.545
    8    HA   ALA   2           HA       ALA   2  -9.723  -2.635  -2.635
    9   1HB   ALA   2           HB2      ALA   2  -6.881  -3.660  -3.660
   10   2HB   ALA   2           HB1      ALA   2  -7.701  -2.741  -2.741
   11   3HB   ALA   2           HB3      ALA   2  -8.324  -4.315  -4.315
   12    HA   PRO   3           HA       PRO   3  -8.174   1.245   1.245
   13   1HB   PRO   3           HB2      PRO   3  -8.640   2.785   2.785
   14   2HB   PRO   3           HB1      PRO   3  -9.932   2.239   2.239
   15   1HG   PRO   3           HG2      PRO   3  -9.090   1.160   1.160
   16   2HG   PRO   3           HG1      PRO   3 -10.716   1.352   1.352
   17   1HD   PRO   3           HD2      PRO   3  -9.390  -1.031  -1.031
   18   2HD   PRO   3           HD1      PRO   3 -10.623  -0.632  -0.632
   19    H    GLU   4           HN       GLU   4  -6.712   3.118   3.118
   20    HA   GLU   4           HA       GLU   4  -4.579   3.732   3.732
   21   1HB   GLU   4           HB2      GLU   4  -5.878   2.415   2.415
   22   2HB   GLU   4           HB1      GLU   4  -4.461   1.383   1.383
   23   1HG   GLU   4           HG1      GLU   4  -4.077   4.356   4.356
   24   2HG   GLU   4           HG2      GLU   4  -4.383   3.488   3.488
   25    H    GLU   5           HN       GLU   5  -2.283   2.756   2.756
   26    HA   GLU   5           HA       GLU   5  -1.565   1.306   1.306
   27   1HB   GLU   5           HB1      GLU   5   0.659   1.311   1.311
   28   2HB   GLU   5           HB2      GLU   5  -0.129   2.872   2.872
   29   1HG   GLU   5           HG1      GLU   5  -1.026   1.713   1.713
   30   2HG   GLU   5           HG2      GLU   5   0.424   0.731   0.731
   31    H    GLU   6           HN       GLU   6  -1.013  -0.873  -0.873
   32    HA   GLU   6           HA       GLU   6  -1.564  -2.732  -2.732
   33   1HB   GLU   6           HB1      GLU   6  -2.648  -2.522  -2.522
   34   2HB   GLU   6           HB2      GLU   6  -2.230  -4.154  -4.154
   35   1HG   GLU   6           HG2      GLU   6  -3.533  -3.604  -3.604
   36   2HG   GLU   6           HG1      GLU   6  -4.186  -2.232  -2.232
   37    H    ASP   7           HN       ASP   7   0.246  -3.963  -3.963
   38    HA   ASP   7           HA       ASP   7   2.346  -5.008  -5.008
   39   1HB   ASP   7           HB2      ASP   7   1.184  -5.242  -5.242
   40   2HB   ASP   7           HB1      ASP   7   2.461  -6.254  -6.254
   41    H    HIS   8           HN       HIS   8   3.516  -4.785  -4.785
   42    HA   HIS   8           HA       HIS   8   4.886  -2.207  -2.207
   43   1HB   HIS   8           HB2      HIS   8   5.307  -4.622  -4.622
   44   2HB   HIS   8           HB1      HIS   8   6.251  -3.151  -3.151
   45    HD1  HIS   8           HD1      HIS   8   6.671  -6.225  -6.225
   46    HD2  HIS   8           HD2      HIS   8   7.145  -2.316  -2.316
   47    HE1  HIS   8           HE1      HIS   8   8.188  -6.353  -6.353
   48    H    VAL   9           HN       VAL   9   2.078  -2.231  -2.231
   49    HA   VAL   9           HA       VAL   9   2.430  -0.464  -0.464
   50    HB   VAL   9           HB       VAL   9   0.953  -3.113  -3.113
   51   1HG1  VAL   9          HG13      VAL   9   0.794  -0.861  -0.861
   52   2HG1  VAL   9          HG12      VAL   9   0.161  -2.485  -2.485
   53   3HG1  VAL   9          HG11      VAL   9  -0.528  -1.457  -1.457
   54   1HG2  VAL   9          HG21      VAL   9   3.262  -1.912  -1.912
   55   2HG2  VAL   9          HG23      VAL   9   3.188  -3.449  -3.449
   56   3HG2  VAL   9          HG22      VAL   9   2.341  -3.258  -3.258
   57    H    LEU  10           HN       LEU  10   0.178   0.498   0.498
   58    HA   LEU  10           HA       LEU  10  -1.597   0.480   0.480
   59   1HB   LEU  10           HB2      LEU  10  -1.221   2.684   2.684
   60   2HB   LEU  10           HB1      LEU  10   0.250   2.419   2.419
   61    HG   LEU  10           HG       LEU  10  -0.736   4.430   4.430
   62   1HD1  LEU  10          HD12      LEU  10  -0.288   2.229   2.229
   63   2HD1  LEU  10          HD11      LEU  10  -1.805   2.917   2.917
   64   3HD1  LEU  10          HD13      LEU  10  -0.357   3.918   3.918
   65   1HD2  LEU  10          HD22      LEU  10  -3.179   3.138   3.138
   66   2HD2  LEU  10          HD21      LEU  10  -2.934   4.806   4.806
   67   3HD2  LEU  10          HD23      LEU  10  -3.233   3.545   3.545
   68    H    VAL  11           HN       VAL  11  -3.827   1.016   1.016
   69    HA   VAL  11           HA       VAL  11  -4.626   0.378   0.378
   70    HB   VAL  11           HB       VAL  11  -6.845   0.053   0.053
   71   1HG1  VAL  11          HG12      VAL  11  -4.488  -1.249  -1.249
   72   2HG1  VAL  11          HG11      VAL  11  -6.148  -1.844  -1.844
   73   3HG1  VAL  11          HG13      VAL  11  -5.270  -1.819  -1.819
   74   1HG2  VAL  11          HG22      VAL  11  -5.753   1.773   1.773
   75   2HG2  VAL  11          HG21      VAL  11  -7.306   0.941   0.941
   76   3HG2  VAL  11          HG23      VAL  11  -5.869   0.206   0.206
   77    H    LEU  12           HN       LEU  12  -5.905   1.792   1.792
   78    HA   LEU  12           HA       LEU  12  -5.901   4.628   4.628
   79   1HB   LEU  12           HB1      LEU  12  -6.213   3.214   3.214
   80   2HB   LEU  12           HB2      LEU  12  -6.426   4.956   4.956
   81    HG   LEU  12           HG       LEU  12  -3.927   3.389   3.389
   82   1HD1  LEU  12          HD22      LEU  12  -4.871   4.510   4.510
   83   2HD1  LEU  12          HD21      LEU  12  -3.498   5.466   5.466
   84   3HD1  LEU  12          HD23      LEU  12  -3.325   3.727   3.727
   85   1HD2  LEU  12          HD13      LEU  12  -4.720   6.286   6.286
   86   2HD2  LEU  12          HD12      LEU  12  -4.030   5.203   5.203
   87   3HD2  LEU  12          HD11      LEU  12  -3.027   5.806   5.806
   88    H    ARG  13           HN       ARG  13  -7.871   5.860   5.860
   89    HA   ARG  13           HA       ARG  13 -10.412   4.344   4.344
   90   1HB   ARG  13           HB2      ARG  13  -9.217   5.850   5.850
   91   2HB   ARG  13           HB1      ARG  13 -10.758   6.571   6.571
   92   1HG   ARG  13           HG2      ARG  13 -11.846   4.359   4.359
   93   2HG   ARG  13           HG1      ARG  13 -10.305   3.647   3.647
   94   1HD   ARG  13           HD2      ARG  13 -10.825   5.960   5.960
   95   2HD   ARG  13           HD1      ARG  13 -12.216   4.862   4.862
   96    HE   ARG  13           HE       ARG  13 -10.716   3.084   3.084
   97   1HH1  ARG  13          HH21      ARG  13  -8.261   2.710   2.710
   98   2HH1  ARG  13          HH22      ARG  13  -7.296   3.851   3.851
   99   1HH2  ARG  13          HH11      ARG  13  -9.910   6.070   6.070
  100   2HH2  ARG  13          HH12      ARG  13  -8.229   5.754   5.754
  101    H    LYS  14           HN       LYS  14 -12.205   6.368   6.368
  102    HA   LYS  14           HA       LYS  14 -11.983   7.588   7.588
  103   1HB   LYS  14           HB1      LYS  14 -13.864   7.277   7.277
  104   2HB   LYS  14           HB2      LYS  14 -13.887   8.948   8.948
  105   1HG   LYS  14           HG1      LYS  14 -14.136   8.114   8.114
  106   2HG   LYS  14           HG2      LYS  14 -14.223   6.468   6.468
  107   1HD   LYS  14           HD2      LYS  14 -16.488   7.252   7.252
  108   2HD   LYS  14           HD1      LYS  14 -16.183   7.195   7.195
  109   1HE   LYS  14           HE2      LYS  14 -15.725   9.617   9.617
  110   2HE   LYS  14           HE1      LYS  14 -15.982   9.688   9.688
  111   1HZ   LYS  14           HZ2      LYS  14 -18.196   8.674   8.674
  112   2HZ   LYS  14           HZ1      LYS  14 -17.952   8.855   8.855
  113   3HZ   LYS  14           HZ3      LYS  14 -18.040  10.225  10.225
  114    H    SER  15           HN       SER  15 -10.717   8.521   8.521
  115    HA   SER  15           HA       SER  15 -10.394  11.347  11.347
  116   1HB   SER  15           HB1      SER  15 -10.872  10.008  10.008
  117   2HB   SER  15           HB2      SER  15  -9.905  11.482  11.482
  118    HG   SER  15           HG       SER  15 -11.601  12.517  12.517
  119    H    ASN  16           HN       ASN  16  -8.701   8.514   8.514
  120    HA   ASN  16           HA       ASN  16  -6.151   9.913   9.913
  121   1HB   ASN  16           HB2      ASN  16  -6.810   6.955   6.955
  122   2HB   ASN  16           HB1      ASN  16  -5.350   7.671   7.671
  123   1HD2  ASN  16          HD22      ASN  16  -7.573   7.086   7.086
  124   2HD2  ASN  16          HD21      ASN  16  -6.683   6.146   6.146
  125    H    PHE  17           HN       PHE  17  -7.713   7.986   7.986
  126    HA   PHE  17           HA       PHE  17  -5.527   7.275   7.275
  127   1HB   PHE  17           HB2      PHE  17  -7.959   6.692   6.692
  128   2HB   PHE  17           HB1      PHE  17  -8.231   8.318   8.318
  129    HD1  PHE  17           HD2      PHE  17  -6.675   9.064   9.064
  130    HD2  PHE  17           HD1      PHE  17  -7.360   4.978   4.978
  131    HE1  PHE  17           HE2      PHE  17  -5.946   8.318   8.318
  132    HE2  PHE  17           HE1      PHE  17  -6.632   4.232   4.232
  133    HZ   PHE  17           HZ       PHE  17  -5.914   5.906   5.906
  134    H    ALA  18           HN       ALA  18  -7.576  10.154  10.154
  135    HA   ALA  18           HA       ALA  18  -5.700  11.406  11.406
  136   1HB   ALA  18           HB3      ALA  18  -8.293  11.725  11.725
  137   2HB   ALA  18           HB2      ALA  18  -7.607  13.026  13.026
  138   3HB   ALA  18           HB1      ALA  18  -7.356  13.006  13.006
  139    H    GLU  19           HN       GLU  19  -5.685  11.108  11.108
  140    HA   GLU  19           HA       GLU  19  -4.192  13.593  13.593
  141   1HB   GLU  19           HB2      GLU  19  -5.877  12.475  12.475
  142   2HB   GLU  19           HB1      GLU  19  -4.691  11.194  11.194
  143   1HG   GLU  19           HG2      GLU  19  -3.065  12.856  12.856
  144   2HG   GLU  19           HG1      GLU  19  -4.250  14.140  14.140
  145    H    ALA  20           HN       ALA  20  -3.520  10.106  10.106
  146    HA   ALA  20           HA       ALA  20  -0.774  10.248  10.248
  147   1HB   ALA  20           HB1      ALA  20  -2.750   8.315   8.315
  148   2HB   ALA  20           HB3      ALA  20  -1.141   7.974   7.974
  149   3HB   ALA  20           HB2      ALA  20  -1.397   8.075   8.075
  150    H    LEU  21           HN       LEU  21  -2.396  10.213  10.213
  151    HA   LEU  21           HA       LEU  21  -0.126   9.988   9.988
  152   1HB   LEU  21           HB2      LEU  21  -2.922  10.793  10.793
  153   2HB   LEU  21           HB1      LEU  21  -1.929  11.713  11.713
  154    HG   LEU  21           HG       LEU  21  -0.994   9.072   9.072
  155   1HD1  LEU  21          HD13      LEU  21  -3.749   9.101   9.101
  156   2HD1  LEU  21          HD12      LEU  21  -3.640   8.452   8.452
  157   3HD1  LEU  21          HD11      LEU  21  -2.706   7.718   7.718
  158   1HD2  LEU  21          HD21      LEU  21  -2.365  11.088  11.088
  159   2HD2  LEU  21          HD23      LEU  21  -1.047  10.001  10.001
  160   3HD2  LEU  21          HD22      LEU  21  -2.716   9.436   9.436
  161    H    ALA  22           HN       ALA  22  -1.670  12.932  12.932
  162    HA   ALA  22           HA       ALA  22   0.526  14.609  14.609
  163   1HB   ALA  22           HB2      ALA  22  -2.164  14.940  14.940
  164   2HB   ALA  22           HB1      ALA  22  -1.556  15.736  15.736
  165   3HB   ALA  22           HB3      ALA  22  -1.025  16.279  16.279
  166    H    ALA  23           HN       ALA  23  -0.243  12.940  12.940
  167    HA   ALA  23           HA       ALA  23   1.084  14.765  14.765
  168   1HB   ALA  23           HB1      ALA  23  -0.770  13.102  13.102
  169   2HB   ALA  23           HB3      ALA  23   0.426  11.819  11.819
  170   3HB   ALA  23           HB2      ALA  23   0.608  13.003  13.003
  171    H    HIS  24           HN       HIS  24   1.961  11.703  11.703
  172    HA   HIS  24           HA       HIS  24   4.802  12.169  12.169
  173   1HB   HIS  24           HB1      HIS  24   2.984   9.847   9.847
  174   2HB   HIS  24           HB2      HIS  24   4.593   9.525   9.525
  175    HD1  HIS  24           HD1      HIS  24   5.909   8.468   8.468
  176    HD2  HIS  24           HD2      HIS  24   3.612  11.654  11.654
  177    HE1  HIS  24           HE1      HIS  24   6.496   8.757   8.757
  178    H    LYS  25           HN       LYS  25   6.055  10.433  10.433
  179    HA   LYS  25           HA       LYS  25   5.614  11.792  11.792
  180   1HB   LYS  25           HB1      LYS  25   7.843  11.219  11.219
  181   2HB   LYS  25           HB2      LYS  25   7.948  10.061  10.061
  182   1HG   LYS  25           HG2      LYS  25   7.777  11.865  11.865
  183   2HG   LYS  25           HG1      LYS  25   7.547  13.048  13.048
  184   1HD   LYS  25           HD2      LYS  25   9.769  13.186  13.186
  185   2HD   LYS  25           HD1      LYS  25   9.932  11.431  11.431
  186   1HE   LYS  25           HE2      LYS  25   9.735  11.502  11.502
  187   2HE   LYS  25           HE1      LYS  25  10.077  13.237  13.237
  188   1HZ   LYS  25           HZ1      LYS  25  11.949  12.491  12.491
  189   2HZ   LYS  25           HZ3      LYS  25  11.742  10.949  10.949
  190   3HZ   LYS  25           HZ2      LYS  25  12.178  12.256  12.256
  191    H    TYR  26           HN       TYR  26   6.870   8.552   8.552
  192    HA   TYR  26           HA       TYR  26   5.359   7.413   7.413
  193   1HB   TYR  26           HB2      TYR  26   7.400   6.192   6.192
  194   2HB   TYR  26           HB1      TYR  26   6.859   5.509   5.509
  195    HD1  TYR  26           HD2      TYR  26   6.919   7.489   7.489
  196    HD2  TYR  26           HD1      TYR  26   9.523   7.131   7.131
  197    HE1  TYR  26           HE2      TYR  26   8.653   8.802   8.802
  198    HE2  TYR  26           HE1      TYR  26  11.258   8.445   8.445
  199    HH   TYR  26           HH       TYR  26  11.814   8.889   8.889
  200    H    LEU  27           HN       LEU  27   3.265   6.860   6.860
  201    HA   LEU  27           HA       LEU  27   2.873   5.463   5.463
  202   1HB   LEU  27           HB2      LEU  27   1.230   7.401   7.401
  203   2HB   LEU  27           HB1      LEU  27   0.449   6.345   6.345
  204    HG   LEU  27           HG       LEU  27   0.987   8.485   8.485
  205   1HD1  LEU  27          HD12      LEU  27   1.602   6.014   6.014
  206   2HD1  LEU  27          HD11      LEU  27   3.135   6.864   6.864
  207   3HD1  LEU  27          HD13      LEU  27   1.667   7.513   7.513
  208   1HD2  LEU  27          HD22      LEU  27   3.104   8.599   8.599
  209   2HD2  LEU  27          HD21      LEU  27   2.999   9.556   9.556
  210   3HD2  LEU  27          HD23      LEU  27   3.918   8.051   8.051
  211    H    LEU  28           HN       LEU  28   2.788   3.286   3.286
  212    HA   LEU  28           HA       LEU  28   1.651   2.335   2.335
  213   1HB   LEU  28           HB2      LEU  28   3.544   1.471   1.471
  214   2HB   LEU  28           HB1      LEU  28   2.174   0.419   0.419
  215    HG   LEU  28           HG       LEU  28   3.629  -0.563  -0.563
  216   1HD1  LEU  28          HD23      LEU  28   0.947  -0.539  -0.539
  217   2HD1  LEU  28          HD22      LEU  28   1.199   0.278   0.278
  218   3HD1  LEU  28          HD21      LEU  28   1.857  -1.337  -1.337
  219   1HD2  LEU  28          HD11      LEU  28   4.031   1.970   1.970
  220   2HD2  LEU  28          HD13      LEU  28   4.279   0.572   0.572
  221   3HD2  LEU  28          HD12      LEU  28   2.773   1.488   1.488
  222    H    VAL  29           HN       VAL  29  -0.495   1.867   1.867
  223    HA   VAL  29           HA       VAL  29  -2.098   1.211   1.211
  224    HB   VAL  29           HB       VAL  29  -2.963   2.894   2.894
  225   1HG1  VAL  29          HG22      VAL  29  -4.198   2.323   2.323
  226   2HG1  VAL  29          HG21      VAL  29  -4.824   3.501   3.501
  227   3HG1  VAL  29          HG23      VAL  29  -4.810   1.785   1.785
  228   1HG2  VAL  29          HG12      VAL  29  -1.786   3.625   3.625
  229   2HG2  VAL  29          HG11      VAL  29  -1.369   4.249   4.249
  230   3HG2  VAL  29          HG13      VAL  29  -2.885   4.728   4.728
  231    H    GLU  30           HN       GLU  30  -3.199  -0.693  -0.693
  232    HA   GLU  30           HA       GLU  30  -3.645  -1.716  -1.716
  233   1HB   GLU  30           HB2      GLU  30  -1.921  -3.010  -3.010
  234   2HB   GLU  30           HB1      GLU  30  -2.737  -3.025  -3.025
  235   1HG   GLU  30           HG2      GLU  30  -4.470  -4.500  -4.500
  236   2HG   GLU  30           HG1      GLU  30  -3.808  -4.384  -4.384
  237    H    PHE  31           HN       PHE  31  -5.603  -2.958  -2.958
  238    HA   PHE  31           HA       PHE  31  -7.709  -2.376  -2.376
  239   1HB   PHE  31           HB1      PHE  31  -7.591  -2.478  -2.478
  240   2HB   PHE  31           HB2      PHE  31  -9.133  -2.700  -2.700
  241    HD1  PHE  31           HD2      PHE  31  -6.272  -0.379  -0.379
  242    HD2  PHE  31           HD1      PHE  31 -10.263  -0.859  -0.859
  243    HE1  PHE  31           HE2      PHE  31  -6.451   2.076   2.076
  244    HE2  PHE  31           HE1      PHE  31 -10.445   1.594   1.594
  245    HZ   PHE  31           HZ       PHE  31  -8.533   3.064   3.064
  246    H    TYR  32           HN       TYR  32  -8.255  -4.243  -4.243
  247    HA   TYR  32           HA       TYR  32  -8.548  -6.747  -6.747
  248   1HB   TYR  32           HB2      TYR  32  -7.241  -7.975  -7.975
  249   2HB   TYR  32           HB1      TYR  32  -6.313  -6.526  -6.526
  250    HD1  TYR  32           HD2      TYR  32  -6.418  -4.550  -4.550
  251    HD2  TYR  32           HD1      TYR  32  -8.002  -8.422  -8.422
  252    HE1  TYR  32           HE2      TYR  32  -6.421  -3.945  -3.945
  253    HE2  TYR  32           HE1      TYR  32  -8.005  -7.818  -7.818
  254    HH   TYR  32           HH       TYR  32  -6.530  -6.018  -6.018
  255    H    ALA  33           HN       ALA  33  -9.786  -8.447  -8.447
  256    HA   ALA  33           HA       ALA  33 -11.732  -7.069  -7.069
  257   1HB   ALA  33           HB1      ALA  33 -12.424  -7.566  -7.566
  258   2HB   ALA  33           HB3      ALA  33 -12.441  -9.260  -9.260
  259   3HB   ALA  33           HB2      ALA  33 -13.518  -8.101  -8.101
  260    HA   PRO  34           HA       PRO  34 -11.028 -10.481 -10.481
  261   1HB   PRO  34           HB1      PRO  34 -13.510 -10.857 -10.857
  262   2HB   PRO  34           HB2      PRO  34 -12.453  -9.501  -9.501
  263   1HG   PRO  34           HG2      PRO  34 -14.782  -9.578  -9.578
  264   2HG   PRO  34           HG1      PRO  34 -14.308  -8.325  -8.325
  265   1HD   PRO  34           HD1      PRO  34 -13.831  -8.132  -8.132
  266   2HD   PRO  34           HD2      PRO  34 -12.796  -7.376  -7.376
  267    H    TRP  35           HN       TRP  35 -13.285 -10.653 -10.653
  268    HA   TRP  35           HA       TRP  35 -13.404 -13.636 -13.636
  269   1HB   TRP  35           HB1      TRP  35 -15.501 -13.401 -13.401
  270   2HB   TRP  35           HB2      TRP  35 -15.557 -12.425 -12.425
  271    HD1  TRP  35           HD1      TRP  35 -15.454  -9.795  -9.795
  272    HE1  TRP  35           HE1      TRP  35 -15.811  -8.226  -8.226
  273    HE3  TRP  35           HE3      TRP  35 -15.174 -13.178 -13.178
  274    HZ2  TRP  35           HZ2      TRP  35 -15.959  -8.386  -8.386
  275    HZ3  TRP  35           HZ3      TRP  35 -15.426 -12.445 -12.445
  276    HH2  TRP  35           HH2      TRP  35 -15.817 -10.055 -10.055
  277    H    CYS  36           HN       CYS  36 -11.495 -11.503 -11.503
  278    HA   CYS  36           HA       CYS  36 -11.689 -11.782 -11.782
  279   1HB   CYS  36           HB2      CYS  36  -9.260 -11.298 -11.298
  280   2HB   CYS  36           HB1      CYS  36 -10.143 -10.309 -10.309
  281    H    GLY  37           HN       GLY  37  -9.623 -13.096 -13.096
  282   1HA   GLY  37           HA2      GLY  37 -10.216 -15.936 -15.936
  283   2HA   GLY  37           HA1      GLY  37  -9.539 -15.360 -15.360
  284    H    HIS  38           HN       HIS  38  -7.427 -13.762 -13.762
  285    HA   HIS  38           HA       HIS  38  -5.798 -15.571 -15.571
  286   1HB   HIS  38           HB2      HIS  38  -5.678 -15.237 -15.237
  287   2HB   HIS  38           HB1      HIS  38  -4.126 -14.944 -14.944
  288    HD1  HIS  38           HD1      HIS  38  -6.076 -17.636 -17.636
  289    HD2  HIS  38           HD2      HIS  38  -3.581 -17.218 -17.218
  290    HE1  HIS  38           HE1      HIS  38  -5.437 -19.980 -19.980
  291    H    CYS  39           HN       CYS  39  -6.884 -12.731 -12.731
  292    HA   CYS  39           HA       CYS  39  -4.622 -10.949 -10.949
  293   1HB   CYS  39           HB2      CYS  39  -6.175  -9.307  -9.307
  294   2HB   CYS  39           HB1      CYS  39  -7.172 -10.498 -10.498
  295    H    LYS  40           HN       LYS  40  -5.884 -12.971 -12.971
  296    HA   LYS  40           HA       LYS  40  -4.515 -11.698 -11.698
  297   1HB   LYS  40           HB2      LYS  40  -5.591 -14.507 -14.507
  298   2HB   LYS  40           HB1      LYS  40  -5.191 -13.775 -13.775
  299   1HG   LYS  40           HG2      LYS  40  -7.126 -12.604 -12.604
  300   2HG   LYS  40           HG1      LYS  40  -6.958 -12.092 -12.092
  301   1HD   LYS  40           HD2      LYS  40  -8.926 -13.462 -13.462
  302   2HD   LYS  40           HD1      LYS  40  -7.673 -14.448 -14.448
  303   1HE   LYS  40           HE2      LYS  40  -7.502 -14.771 -14.771
  304   2HE   LYS  40           HE1      LYS  40  -9.169 -15.078 -15.078
  305   1HZ   LYS  40           HZ2      LYS  40  -6.869 -16.129 -16.129
  306   2HZ   LYS  40           HZ1      LYS  40  -7.490 -16.986 -16.986
  307   3HZ   LYS  40           HZ3      LYS  40  -8.483 -16.662 -16.662
  308    H    ALA  41           HN       ALA  41  -3.573 -14.016 -14.016
  309    HA   ALA  41           HA       ALA  41  -1.383 -15.275 -15.275
  310   1HB   ALA  41           HB2      ALA  41  -2.071 -14.666 -14.666
  311   2HB   ALA  41           HB1      ALA  41  -0.650 -15.612 -15.612
  312   3HB   ALA  41           HB3      ALA  41  -2.263 -16.194 -16.194
  313    H    LEU  42           HN       LEU  42  -1.736 -12.087 -12.087
  314    HA   LEU  42           HA       LEU  42   1.216 -11.648 -11.648
  315   1HB   LEU  42           HB2      LEU  42  -0.740 -10.991 -10.991
  316   2HB   LEU  42           HB1      LEU  42  -0.613  -9.500  -9.500
  317    HG   LEU  42           HG       LEU  42   1.854  -9.527  -9.527
  318   1HD1  LEU  42          HD11      LEU  42   1.274 -12.195 -12.195
  319   2HD1  LEU  42          HD13      LEU  42   1.968 -11.321 -11.321
  320   3HD1  LEU  42          HD12      LEU  42   2.850 -11.421 -11.421
  321   1HD2  LEU  42          HD22      LEU  42   0.128  -8.438  -8.438
  322   2HD2  LEU  42          HD21      LEU  42   1.767  -8.671  -8.671
  323   3HD2  LEU  42          HD23      LEU  42   0.483  -9.784  -9.784
  324    H    ALA  43           HN       ALA  43  -1.554 -11.153 -11.153
  325    HA   ALA  43           HA       ALA  43  -1.253  -8.636  -8.636
  326   1HB   ALA  43           HB3      ALA  43  -2.617 -11.031 -11.031
  327   2HB   ALA  43           HB2      ALA  43  -1.723 -10.745 -10.745
  328   3HB   ALA  43           HB1      ALA  43  -2.838  -9.522  -9.522
  329    HA   PRO  44           HA       PRO  44   2.182 -10.210 -10.210
  330   1HB   PRO  44           HB2      PRO  44   2.976 -12.827 -12.827
  331   2HB   PRO  44           HB1      PRO  44   1.592 -12.280 -12.280
  332   1HG   PRO  44           HG2      PRO  44   1.638 -13.850 -13.850
  333   2HG   PRO  44           HG1      PRO  44   0.323 -13.614 -13.614
  334   1HD   PRO  44           HD2      PRO  44   0.738 -12.318 -12.318
  335   2HD   PRO  44           HD1      PRO  44  -0.656 -12.206 -12.206
  336    H    GLU  45           HN       GLU  45   2.200 -10.363 -10.363
  337    HA   GLU  45           HA       GLU  45   5.162 -10.796 -10.796
  338   1HB   GLU  45           HB2      GLU  45   2.951 -10.830 -10.830
  339   2HB   GLU  45           HB1      GLU  45   4.647 -11.211 -11.211
  340   1HG   GLU  45           HG1      GLU  45   3.115 -12.712 -12.712
  341   2HG   GLU  45           HG2      GLU  45   2.966 -13.173 -13.173
  342    H    TYR  46           HN       TYR  46   2.411  -8.809  -8.809
  343    HA   TYR  46           HA       TYR  46   4.016  -6.647  -6.647
  344   1HB   TYR  46           HB2      TYR  46   1.823  -7.026  -7.026
  345   2HB   TYR  46           HB1      TYR  46   1.124  -7.132  -7.132
  346    HD1  TYR  46           HD1      TYR  46   1.029  -5.049  -5.049
  347    HD2  TYR  46           HD2      TYR  46   2.032  -4.971  -4.971
  348    HE1  TYR  46           HE1      TYR  46   0.539  -2.619  -2.619
  349    HE2  TYR  46           HE2      TYR  46   1.542  -2.532  -2.532
  350    HH   TYR  46           HH       TYR  46   1.424  -0.614  -0.614
  351    H    ALA  47           HN       ALA  47   3.047  -7.658  -7.658
  352    HA   ALA  47           HA       ALA  47   3.325  -4.946  -4.946
  353   1HB   ALA  47           HB1      ALA  47   2.525  -7.691  -7.691
  354   2HB   ALA  47           HB3      ALA  47   2.849  -6.395  -6.395
  355   3HB   ALA  47           HB2      ALA  47   1.558  -6.217  -6.217
  356    H    LYS  48           HN       LYS  48   5.108  -7.946  -7.946
  357    HA   LYS  48           HA       LYS  48   7.093  -7.392  -7.392
  358   1HB   LYS  48           HB2      LYS  48   6.285  -9.532  -9.532
  359   2HB   LYS  48           HB1      LYS  48   7.815  -9.101  -9.101
  360   1HG   LYS  48           HG2      LYS  48   8.376 -10.647 -10.647
  361   2HG   LYS  48           HG1      LYS  48   8.819  -9.056  -9.056
  362   1HD   LYS  48           HD2      LYS  48   7.339  -9.212  -9.212
  363   2HD   LYS  48           HD1      LYS  48   6.041  -9.681  -9.681
  364   1HE   LYS  48           HE2      LYS  48   6.734 -12.008 -12.008
  365   2HE   LYS  48           HE1      LYS  48   8.184 -11.590 -11.590
  366   1HZ   LYS  48           HZ1      LYS  48   5.400 -11.021 -11.021
  367   2HZ   LYS  48           HZ3      LYS  48   6.320 -12.337 -12.337
  368   3HZ   LYS  48           HZ2      LYS  48   6.818 -10.749 -10.749
  369    H    ALA  49           HN       ALA  49   6.753  -6.659  -6.659
  370    HA   ALA  49           HA       ALA  49   9.448  -5.922  -5.922
  371   1HB   ALA  49           HB1      ALA  49   6.768  -5.699  -5.699
  372   2HB   ALA  49           HB3      ALA  49   7.742  -4.275  -4.275
  373   3HB   ALA  49           HB2      ALA  49   8.312  -5.877  -5.877
  374    H    ALA  50           HN       ALA  50   6.889  -4.263  -4.263
  375    HA   ALA  50           HA       ALA  50   7.941  -1.586  -1.586
  376   1HB   ALA  50           HB1      ALA  50   5.627  -2.238  -2.238
  377   2HB   ALA  50           HB3      ALA  50   6.259  -2.953  -2.953
  378   3HB   ALA  50           HB2      ALA  50   6.378  -1.212  -1.212
  379    H    GLY  51           HN       GLY  51   8.744  -4.373  -4.373
  380   1HA   GLY  51           HA2      GLY  51  10.228  -2.814  -2.814
  381   2HA   GLY  51           HA1      GLY  51  10.161  -4.573  -4.573
  382    H    LYS  52           HN       LYS  52  10.879  -4.339  -4.339
  383    HA   LYS  52           HA       LYS  52  13.659  -4.839  -4.839
  384   1HB   LYS  52           HB2      LYS  52  11.733  -4.026  -4.026
  385   2HB   LYS  52           HB1      LYS  52  13.450  -4.183  -4.183
  386   1HG   LYS  52           HG1      LYS  52  12.187  -6.402  -6.402
  387   2HG   LYS  52           HG2      LYS  52  11.768  -6.266  -6.266
  388   1HD   LYS  52           HD2      LYS  52  14.287  -6.097  -6.097
  389   2HD   LYS  52           HD1      LYS  52  14.513  -6.620  -6.620
  390   1HE   LYS  52           HE2      LYS  52  12.617  -8.411  -8.411
  391   2HE   LYS  52           HE1      LYS  52  13.830  -8.224  -8.224
  392   1HZ   LYS  52           HZ1      LYS  52  14.426  -8.741  -8.741
  393   2HZ   LYS  52           HZ3      LYS  52  14.508  -9.900  -9.900
  394   3HZ   LYS  52           HZ2      LYS  52  15.573  -8.576  -8.576
  395    H    LEU  53           HN       LEU  53  11.925  -1.799  -1.799
  396    HA   LEU  53           HA       LEU  53  14.397  -0.282  -0.282
  397   1HB   LEU  53           HB1      LEU  53  12.808   1.591   1.591
  398   2HB   LEU  53           HB2      LEU  53  12.225   0.205   0.205
  399    HG   LEU  53           HG       LEU  53  11.176  -0.230  -0.230
  400   1HD1  LEU  53          HD12      LEU  53  11.624   2.652   2.652
  401   2HD1  LEU  53          HD11      LEU  53   9.971   2.233   2.233
  402   3HD1  LEU  53          HD13      LEU  53  11.309   1.788   1.788
  403   1HD2  LEU  53          HD22      LEU  53  10.223  -0.261  -0.261
  404   2HD2  LEU  53          HD21      LEU  53   9.131  -0.075  -0.075
  405   3HD2  LEU  53          HD23      LEU  53   9.622   1.337   1.337
  406    H    LYS  54           HN       LYS  54  12.411  -1.180  -1.180
  407    HA   LYS  54           HA       LYS  54  12.778   0.895   0.895
  408   1HB   LYS  54           HB2      LYS  54  11.489  -1.262  -1.262
  409   2HB   LYS  54           HB1      LYS  54  13.023  -2.081  -2.081
  410   1HG   LYS  54           HG2      LYS  54  13.408  -0.399  -0.399
  411   2HG   LYS  54           HG1      LYS  54  11.722   0.076   0.076
  412   1HD   LYS  54           HD2      LYS  54  11.641  -2.716  -2.716
  413   2HD   LYS  54           HD1      LYS  54  12.822  -2.276  -2.276
  414   1HE   LYS  54           HE2      LYS  54  10.527  -0.493  -0.493
  415   2HE   LYS  54           HE1      LYS  54  10.029  -2.187  -2.187
  416   1HZ   LYS  54           HZ3      LYS  54  12.360  -1.040  -1.040
  417   2HZ   LYS  54           HZ2      LYS  54  10.801  -1.074  -1.074
  418   3HZ   LYS  54           HZ1      LYS  54  11.593  -2.526  -2.526
  419    H    ALA  55           HN       ALA  55  15.079  -1.647  -1.647
  420    HA   ALA  55           HA       ALA  55  17.091  -0.936  -0.936
  421   1HB   ALA  55           HB3      ALA  55  17.007  -2.532  -2.532
  422   2HB   ALA  55           HB2      ALA  55  18.492  -2.356  -2.356
  423   3HB   ALA  55           HB1      ALA  55  17.086  -3.139  -3.139
  424    H    GLU  56           HN       GLU  56  16.180   0.282   0.282
  425    HA   GLU  56           HA       GLU  56  18.744   1.732   1.732
  426   1HB   GLU  56           HB1      GLU  56  16.253   1.228   1.228
  427   2HB   GLU  56           HB2      GLU  56  17.426   2.445   2.445
  428   1HG   GLU  56           HG2      GLU  56  19.142   0.457   0.457
  429   2HG   GLU  56           HG1      GLU  56  17.713  -0.530  -0.530
  430    H    GLY  57           HN       GLY  57  15.273   2.571   2.571
  431   1HA   GLY  57           HA1      GLY  57  14.476   4.357   4.357
  432   2HA   GLY  57           HA2      GLY  57  16.008   5.181   5.181
  433    H    SER  58           HN       SER  58  14.281   3.591   3.591
  434    HA   SER  58           HA       SER  58  14.313   5.831   5.831
  435   1HB   SER  58           HB1      SER  58  13.927   3.348   3.348
  436   2HB   SER  58           HB2      SER  58  12.257   3.606   3.606
  437    HG   SER  58           HG       SER  58  13.155   3.961   3.961
  438    H    GLU  59           HN       GLU  59  12.240   6.908   6.908
  439    HA   GLU  59           HA       GLU  59  10.551   7.753   7.753
  440   1HB   GLU  59           HB1      GLU  59  10.237   9.802   9.802
  441   2HB   GLU  59           HB2      GLU  59  11.937   9.480   9.480
  442   1HG   GLU  59           HG2      GLU  59  11.908   9.939   9.939
  443   2HG   GLU  59           HG1      GLU  59  11.928   8.176   8.176
  444    H    ILE  60           HN       ILE  60  10.047   5.335   5.335
  445    HA   ILE  60           HA       ILE  60   7.652   6.116   6.116
  446    HB   ILE  60           HB       ILE  60   7.851   3.834   3.834
  447   1HG1  ILE  60          HG11      ILE  60  10.114   3.509   3.509
  448   2HG1  ILE  60          HG12      ILE  60   8.522   2.769   2.769
  449   1HG2  ILE  60          HG21      ILE  60  10.103   5.731   5.731
  450   2HG2  ILE  60          HG23      ILE  60  10.556   4.085   4.085
  451   3HG2  ILE  60          HG22      ILE  60   9.316   4.936   4.936
  452   1HD1  ILE  60          HD13      ILE  60   9.740   2.304   2.304
  453   2HD1  ILE  60          HD12      ILE  60  10.712   1.662   1.662
  454   3HD1  ILE  60          HD11      ILE  60   9.035   1.147   1.147
  455    H    ARG  61           HN       ARG  61   5.793   4.415   4.415
  456    HA   ARG  61           HA       ARG  61   5.477   3.326   3.326
  457   1HB   ARG  61           HB2      ARG  61   4.673   5.949   5.949
  458   2HB   ARG  61           HB1      ARG  61   3.195   4.991   4.991
  459   1HG   ARG  61           HG1      ARG  61   4.074   4.107   4.107
  460   2HG   ARG  61           HG2      ARG  61   5.305   5.366   5.366
  461   1HD   ARG  61           HD2      ARG  61   3.778   7.071   7.071
  462   2HD   ARG  61           HD1      ARG  61   2.451   6.181   6.181
  463    HE   ARG  61           HE       ARG  61   1.969   5.245   5.245
  464   1HH1  ARG  61          HH21      ARG  61   4.323   3.654   3.654
  465   2HH1  ARG  61          HH22      ARG  61   5.090   4.418   4.418
  466   1HH2  ARG  61          HH11      ARG  61   3.347   7.394   7.394
  467   2HH2  ARG  61          HH12      ARG  61   4.538   6.537   6.537
  468    H    LEU  62           HN       LEU  62   4.281   1.463   1.463
  469    HA   LEU  62           HA       LEU  62   2.854   0.918   0.918
  470   1HB   LEU  62           HB1      LEU  62   3.992  -0.647  -0.647
  471   2HB   LEU  62           HB2      LEU  62   2.758  -1.398  -1.398
  472    HG   LEU  62           HG       LEU  62   4.620  -0.117  -0.117
  473   1HD1  LEU  62          HD21      LEU  62   5.947  -0.596  -0.596
  474   2HD1  LEU  62          HD23      LEU  62   6.165  -2.143  -2.143
  475   3HD1  LEU  62          HD22      LEU  62   6.712  -0.655  -0.655
  476   1HD2  LEU  62          HD13      LEU  62   3.437  -2.741  -2.741
  477   2HD2  LEU  62          HD12      LEU  62   3.881  -1.990  -1.990
  478   3HD2  LEU  62          HD11      LEU  62   5.092  -2.864  -2.864
  479    H    ALA  63           HN       ALA  63   0.621   0.213   0.213
  480    HA   ALA  63           HA       ALA  63  -0.860   0.315   0.315
  481   1HB   ALA  63           HB2      ALA  63  -0.535   2.683   2.683
  482   2HB   ALA  63           HB1      ALA  63  -1.395   2.291   2.291
  483   3HB   ALA  63           HB3      ALA  63  -2.234   2.213   2.213
  484    H    LYS  64           HN       LYS  64  -3.169  -0.246  -0.246
  485    HA   LYS  64           HA       LYS  64  -3.769  -1.553  -1.553
  486   1HB   LYS  64           HB1      LYS  64  -3.836  -2.730  -2.730
  487   2HB   LYS  64           HB2      LYS  64  -4.648  -3.485  -3.485
  488   1HG   LYS  64           HG2      LYS  64  -2.147  -2.988  -2.988
  489   2HG   LYS  64           HG1      LYS  64  -1.778  -3.371  -3.371
  490   1HD   LYS  64           HD2      LYS  64  -3.775  -5.153  -5.153
  491   2HD   LYS  64           HD1      LYS  64  -2.171  -5.248  -5.248
  492   1HE   LYS  64           HE2      LYS  64  -1.975  -6.795  -6.795
  493   2HE   LYS  64           HE1      LYS  64  -1.378  -5.318  -5.318
  494   1HZ   LYS  64           HZ1      LYS  64  -4.220  -6.208  -6.208
  495   2HZ   LYS  64           HZ3      LYS  64  -3.150  -6.438  -6.438
  496   3HZ   LYS  64           HZ2      LYS  64  -3.583  -4.865  -4.865
  497    H    VAL  65           HN       VAL  65  -6.138  -1.997  -1.997
  498    HA   VAL  65           HA       VAL  65  -7.813  -0.267  -0.267
  499    HB   VAL  65           HB       VAL  65  -7.825  -0.503  -0.503
  500   1HG1  VAL  65          HG11      VAL  65  -9.585   1.137   1.137
  501   2HG1  VAL  65          HG13      VAL  65  -9.599   1.216   1.216
  502   3HG1  VAL  65          HG12      VAL  65 -10.107  -0.261  -0.261
  503   1HG2  VAL  65          HG23      VAL  65  -6.004   0.877   0.877
  504   2HG2  VAL  65          HG22      VAL  65  -7.104   1.811   1.811
  505   3HG2  VAL  65          HG21      VAL  65  -7.253   1.875   1.875
  506    H    ASP  66           HN       ASP  66  -9.923  -1.043  -1.043
  507    HA   ASP  66           HA       ASP  66 -10.364  -3.899  -3.899
  508   1HB   ASP  66           HB1      ASP  66 -11.077  -2.015  -2.015
  509   2HB   ASP  66           HB2      ASP  66 -12.426  -3.034  -3.034
  510    H    ALA  67           HN       ALA  67 -11.092  -3.750  -3.750
  511    HA   ALA  67           HA       ALA  67 -12.778  -1.917  -1.917
  512   1HB   ALA  67           HB3      ALA  67 -11.622  -4.254  -4.254
  513   2HB   ALA  67           HB2      ALA  67 -13.287  -4.811  -4.811
  514   3HB   ALA  67           HB1      ALA  67 -12.894  -3.530  -3.530
  515    H    THR  68           HN       THR  68 -13.671  -4.321  -4.321
  516    HA   THR  68           HA       THR  68 -16.563  -3.999  -3.999
  517    HB   THR  68           HB       THR  68 -16.725  -5.665  -5.665
  518    HG1  THR  68           HG1      THR  68 -13.918  -5.514  -5.514
  519   1HG2  THR  68          HG23      THR  68 -15.879  -6.217  -6.217
  520   2HG2  THR  68          HG22      THR  68 -14.316  -6.460  -6.460
  521   3HG2  THR  68          HG21      THR  68 -15.701  -7.441  -7.441
  522    H    GLU  69           HN       GLU  69 -14.096  -2.612  -2.612
  523    HA   GLU  69           HA       GLU  69 -16.105  -1.459  -1.459
  524   1HB   GLU  69           HB1      GLU  69 -13.996  -2.521  -2.521
  525   2HB   GLU  69           HB2      GLU  69 -13.072  -1.311  -1.311
  526   1HG   GLU  69           HG1      GLU  69 -13.492   0.317   0.317
  527   2HG   GLU  69           HG2      GLU  69 -15.161  -0.202  -0.202
  528    H    GLU  70           HN       GLU  70 -13.381  -0.299  -0.299
  529    HA   GLU  70           HA       GLU  70 -14.729   2.376   2.376
  530   1HB   GLU  70           HB2      GLU  70 -11.856   1.491   1.491
  531   2HB   GLU  70           HB1      GLU  70 -12.421   3.159   3.159
  532   1HG   GLU  70           HG1      GLU  70 -12.181   3.370   3.370
  533   2HG   GLU  70           HG2      GLU  70 -13.387   2.105   2.105
  534    H    SER  71           HN       SER  71 -15.750   0.388   0.388
  535    HA   SER  71           HA       SER  71 -14.571   0.125   0.125
  536   1HB   SER  71           HB2      SER  71 -16.687  -0.691  -0.691
  537   2HB   SER  71           HB1      SER  71 -16.723  -0.854  -0.854
  538    HG   SER  71           HG       SER  71 -18.362   0.442   0.442
  539    H    ASP  72           HN       ASP  72 -16.130   2.877   2.877
  540    HA   ASP  72           HA       ASP  72 -17.011   4.398   4.398
  541   1HB   ASP  72           HB2      ASP  72 -15.896   4.877   4.877
  542   2HB   ASP  72           HB1      ASP  72 -15.902   6.270   6.270
  543    H    LEU  73           HN       LEU  73 -13.689   4.049   4.049
  544    HA   LEU  73           HA       LEU  73 -12.525   5.923   5.923
  545   1HB   LEU  73           HB1      LEU  73 -11.441   3.688   3.688
  546   2HB   LEU  73           HB2      LEU  73 -10.410   4.791   4.791
  547    HG   LEU  73           HG       LEU  73 -12.457   6.196   6.196
  548   1HD1  LEU  73          HD12      LEU  73 -11.337   3.960   3.960
  549   2HD1  LEU  73          HD11      LEU  73 -10.422   5.342   5.342
  550   3HD1  LEU  73          HD13      LEU  73 -12.178   5.306   5.306
  551   1HD2  LEU  73          HD21      LEU  73  -9.732   6.492   6.492
  552   2HD2  LEU  73          HD23      LEU  73 -10.841   7.731   7.731
  553   3HD2  LEU  73          HD22      LEU  73  -9.829   6.844   6.844
  554    H    ALA  74           HN       ALA  74 -12.919   2.395   2.395
  555    HA   ALA  74           HA       ALA  74 -11.420   1.848   1.848
  556   1HB   ALA  74           HB1      ALA  74 -13.472   0.451   0.451
  557   2HB   ALA  74           HB3      ALA  74 -12.953  -0.281  -0.281
  558   3HB   ALA  74           HB2      ALA  74 -11.775   0.038   0.038
  559    H    GLN  75           HN       GLN  75 -14.705   2.902   2.902
  560    HA   GLN  75           HA       GLN  75 -15.717   2.231   2.231
  561   1HB   GLN  75           HB2      GLN  75 -16.850   2.622   2.622
  562   2HB   GLN  75           HB1      GLN  75 -16.972   4.274   4.274
  563   1HG   GLN  75           HG2      GLN  75 -18.400   3.682   3.682
  564   2HG   GLN  75           HG1      GLN  75 -17.801   2.024   2.024
  565   1HE2  GLN  75          HE22      GLN  75 -20.414   2.921   2.921
  566   2HE2  GLN  75          HE21      GLN  75 -19.280   4.088   4.088
  567    H    GLN  76           HN       GLN  76 -14.054   4.913   4.913
  568    HA   GLN  76           HA       GLN  76 -14.814   6.886   6.886
  569   1HB   GLN  76           HB1      GLN  76 -13.169   6.674   6.674
  570   2HB   GLN  76           HB2      GLN  76 -12.631   7.883   7.883
  571   1HG   GLN  76           HG1      GLN  76 -15.145   8.580   8.580
  572   2HG   GLN  76           HG2      GLN  76 -15.262   7.705   7.705
  573   1HE2  GLN  76          HE22      GLN  76 -14.345  11.270  11.270
  574   2HE2  GLN  76          HE21      GLN  76 -15.649  10.521  10.521
  575    H    TYR  77           HN       TYR  77 -12.241   4.541   4.541
  576    HA   TYR  77           HA       TYR  77 -10.589   5.715   5.715
  577   1HB   TYR  77           HB1      TYR  77 -10.363   3.573   3.573
  578   2HB   TYR  77           HB2      TYR  77  -9.293   3.495   3.495
  579    HD1  TYR  77           HD1      TYR  77 -10.332   5.569   5.569
  580    HD2  TYR  77           HD2      TYR  77  -7.515   5.084   5.084
  581    HE1  TYR  77           HE1      TYR  77  -8.886   7.317   7.317
  582    HE2  TYR  77           HE2      TYR  77  -6.070   6.830   6.830
  583    HH   TYR  77           HH       TYR  77  -6.086   7.758   7.758
  584    H    GLY  78           HN       GLY  78 -12.855   3.090   3.090
  585   1HA   GLY  78           HA1      GLY  78 -14.001   1.878   1.878
  586   2HA   GLY  78           HA2      GLY  78 -12.876   2.534   2.534
  587    H    VAL  79           HN       VAL  79 -12.467   0.602   0.602
  588    HA   VAL  79           HA       VAL  79 -10.221  -0.881  -0.881
  589    HB   VAL  79           HB       VAL  79 -10.807  -2.350  -2.350
  590   1HG1  VAL  79          HG21      VAL  79 -10.614   0.567   0.567
  591   2HG1  VAL  79          HG23      VAL  79 -11.419  -0.095  -0.095
  592   3HG1  VAL  79          HG22      VAL  79  -9.797  -0.639  -0.639
  593   1HG2  VAL  79          HG11      VAL  79 -13.304  -2.247  -2.247
  594   2HG2  VAL  79          HG13      VAL  79 -12.881  -2.122  -2.122
  595   3HG2  VAL  79          HG12      VAL  79 -13.313  -0.674  -0.674
  596    H    ARG  80           HN       ARG  80 -10.261  -3.297  -3.297
  597    HA   ARG  80           HA       ARG  80 -12.752  -4.171  -4.171
  598   1HB   ARG  80           HB2      ARG  80 -11.237  -5.011  -5.011
  599   2HB   ARG  80           HB1      ARG  80 -11.166  -3.259  -3.259
  600   1HG   ARG  80           HG2      ARG  80  -9.265  -4.736  -4.736
  601   2HG   ARG  80           HG1      ARG  80  -8.971  -4.906  -4.906
  602   1HD   ARG  80           HD2      ARG  80  -9.590  -2.146  -2.146
  603   2HD   ARG  80           HD1      ARG  80  -8.045  -2.798  -2.798
  604    HE   ARG  80           HE       ARG  80  -7.482  -3.312  -3.312
  605   1HH1  ARG  80          HH11      ARG  80 -10.302  -3.101  -3.101
  606   2HH1  ARG  80          HH12      ARG  80 -10.254  -1.569  -1.569
  607   1HH2  ARG  80          HH21      ARG  80  -7.346  -0.529  -0.529
  608   2HH2  ARG  80          HH22      ARG  80  -8.581  -0.112  -0.112
  609    H    GLY  81           HN       GLY  81 -12.424  -5.143  -5.143
  610   1HA   GLY  81           HA2      GLY  81 -12.575  -7.402  -7.402
  611   2HA   GLY  81           HA1      GLY  81 -11.527  -7.932  -7.932
  612    H    TYR  82           HN       TYR  82 -11.094  -8.564  -8.564
  613    HA   TYR  82           HA       TYR  82  -8.744  -6.866  -6.866
  614   1HB   TYR  82           HB2      TYR  82 -10.134  -9.039  -9.039
  615   2HB   TYR  82           HB1      TYR  82  -9.067  -7.782  -7.782
  616    HD1  TYR  82           HD1      TYR  82 -10.183  -5.495  -5.495
  617    HD2  TYR  82           HD2      TYR  82 -12.107  -8.513  -8.513
  618    HE1  TYR  82           HE1      TYR  82 -12.126  -3.992  -3.992
  619    HE2  TYR  82           HE2      TYR  82 -14.049  -7.010  -7.010
  620    HH   TYR  82           HH       TYR  82 -14.487  -4.140  -4.140
  621    HA   PRO  83           HA       PRO  83  -7.327  -7.235  -7.235
  622   1HB   PRO  83           HB1      PRO  83  -4.619  -7.424  -7.424
  623   2HB   PRO  83           HB2      PRO  83  -5.762  -8.449  -8.449
  624   1HG   PRO  83           HG1      PRO  83  -3.948  -9.133  -9.133
  625   2HG   PRO  83           HG2      PRO  83  -4.744 -10.187 -10.187
  626   1HD   PRO  83           HD1      PRO  83  -5.488  -9.668  -9.668
  627   2HD   PRO  83           HD2      PRO  83  -6.253 -10.773 -10.773
  628    H    THR  84           HN       THR  84  -6.941  -5.087  -5.087
  629    HA   THR  84           HA       THR  84  -5.459  -4.628  -4.628
  630    HB   THR  84           HB       THR  84  -7.575  -3.004  -3.004
  631    HG1  THR  84           HG1      THR  84  -8.496  -4.780  -4.780
  632   1HG2  THR  84          HG23      THR  84  -5.736  -1.909  -1.909
  633   2HG2  THR  84          HG22      THR  84  -6.782  -2.546  -2.546
  634   3HG2  THR  84          HG21      THR  84  -7.423  -1.405  -1.405
  635    H    ILE  85           HN       ILE  85  -3.377  -4.013  -4.013
  636    HA   ILE  85           HA       ILE  85  -2.852  -2.436  -2.436
  637    HB   ILE  85           HB       ILE  85  -1.078  -3.773  -3.773
  638   1HG1  ILE  85          HG12      ILE  85  -0.656  -5.229  -5.229
  639   2HG1  ILE  85          HG11      ILE  85  -2.203  -4.572  -4.572
  640   1HG2  ILE  85          HG23      ILE  85   0.031  -1.858  -1.858
  641   2HG2  ILE  85          HG22      ILE  85  -0.380  -2.546  -2.546
  642   3HG2  ILE  85          HG21      ILE  85   0.737  -3.394  -3.394
  643   1HD1  ILE  85          HD13      ILE  85  -2.084  -5.620  -5.620
  644   2HD1  ILE  85          HD12      ILE  85  -2.022  -6.812  -6.812
  645   3HD1  ILE  85          HD11      ILE  85  -3.392  -5.708  -5.708
  646    H    LYS  86           HN       LYS  86  -2.120  -0.311  -0.311
  647    HA   LYS  86           HA       LYS  86  -1.543   0.902   0.902
  648   1HB   LYS  86           HB2      LYS  86  -3.888   1.214   1.214
  649   2HB   LYS  86           HB1      LYS  86  -2.979   2.718   2.718
  650   1HG   LYS  86           HG2      LYS  86  -2.974   3.097   3.097
  651   2HG   LYS  86           HG1      LYS  86  -3.407   1.425   1.425
  652   1HD   LYS  86           HD2      LYS  86  -5.536   2.117   2.117
  653   2HD   LYS  86           HD1      LYS  86  -5.137   3.697   3.697
  654   1HE   LYS  86           HE2      LYS  86  -6.036   3.102   3.102
  655   2HE   LYS  86           HE1      LYS  86  -4.985   1.675   1.675
  656   1HZ   LYS  86           HZ1      LYS  86  -6.537   0.692   0.692
  657   2HZ   LYS  86           HZ3      LYS  86  -7.611   1.951   1.951
  658   3HZ   LYS  86           HZ2      LYS  86  -7.165   0.832   0.832
  659    H    PHE  87           HN       PHE  87   0.113   2.425   2.425
  660    HA   PHE  87           HA       PHE  87   1.301   2.974   2.974
  661   1HB   PHE  87           HB2      PHE  87   2.708   1.602   1.602
  662   2HB   PHE  87           HB1      PHE  87   2.491   2.708   2.708
  663    HD1  PHE  87           HD1      PHE  87   3.118   3.531   3.531
  664    HD2  PHE  87           HD2      PHE  87   4.673   3.524   3.524
  665    HE1  PHE  87           HE1      PHE  87   5.073   4.857   4.857
  666    HE2  PHE  87           HE2      PHE  87   6.628   4.850   4.850
  667    HZ   PHE  87           HZ       PHE  87   6.827   5.516   5.516
  668    H    PHE  88           HN       PHE  88   1.502   5.113   5.113
  669    HA   PHE  88           HA       PHE  88   0.845   7.189   7.189
  670   1HB   PHE  88           HB2      PHE  88   0.360   6.951   6.951
  671   2HB   PHE  88           HB1      PHE  88   0.066   8.429   8.429
  672    HD1  PHE  88           HD2      PHE  88  -1.321   8.035   8.035
  673    HD2  PHE  88           HD1      PHE  88  -1.425   5.486   5.486
  674    HE1  PHE  88           HE2      PHE  88  -3.525   7.155   7.155
  675    HE2  PHE  88           HE1      PHE  88  -3.630   4.606   4.606
  676    HZ   PHE  88           HZ       PHE  88  -4.670   5.423   5.423
  677    H    ARG  89           HN       ARG  89   2.117   9.134   9.134
  678    HA   ARG  89           HA       ARG  89   4.549   9.053   9.053
  679   1HB   ARG  89           HB1      ARG  89   4.664   8.316   8.316
  680   2HB   ARG  89           HB2      ARG  89   4.653  10.057  10.057
  681   1HG   ARG  89           HG2      ARG  89   6.505  10.008  10.008
  682   2HG   ARG  89           HG1      ARG  89   6.729   8.364   8.364
  683   1HD   ARG  89           HD2      ARG  89   8.223   9.730   9.730
  684   2HD   ARG  89           HD1      ARG  89   6.834   9.424   9.424
  685    HE   ARG  89           HE       ARG  89   6.486  11.792  11.792
  686   1HH1  ARG  89          HH11      ARG  89   6.072  10.790  10.790
  687   2HH1  ARG  89          HH12      ARG  89   6.788  12.157  12.157
  688   1HH2  ARG  89          HH21      ARG  89   8.159  13.446  13.446
  689   2HH2  ARG  89          HH22      ARG  89   7.970  13.661  13.661
  690    H    ASN  90           HN       ASN  90   3.950  10.775  10.775
  691    HA   ASN  90           HA       ASN  90   3.456  13.002  13.002
  692   1HB   ASN  90           HB2      ASN  90   5.656  13.097  13.097
  693   2HB   ASN  90           HB1      ASN  90   4.754  13.526  13.526
  694   1HD2  ASN  90          HD22      ASN  90   4.219  16.879  16.879
  695   2HD2  ASN  90          HD21      ASN  90   3.898  15.684  15.684
  696    H    GLY  91           HN       GLY  91   1.125  12.059  12.059
  697   1HA   GLY  91           HA2      GLY  91  -0.943  12.565  12.565
  698   2HA   GLY  91           HA1      GLY  91  -0.338  14.217  14.217
  699    H    ASP  92           HN       ASP  92  -0.388  11.104  11.104
  700    HA   ASP  92           HA       ASP  92  -0.199  12.583  12.583
  701   1HB   ASP  92           HB1      ASP  92   1.944  11.306  11.306
  702   2HB   ASP  92           HB2      ASP  92   1.307  10.054  10.054
  703    H    THR  93           HN       THR  93  -2.526  11.448  11.448
  704    HA   THR  93           HA       THR  93  -3.062   8.754   8.754
  705    HB   THR  93           HB       THR  93  -4.362   9.970   9.970
  706    HG1  THR  93           HG1      THR  93  -5.871   9.469   9.469
  707   1HG2  THR  93          HG21      THR  93  -4.206  12.056  12.056
  708   2HG2  THR  93          HG23      THR  93  -5.917  11.673  11.673
  709   3HG2  THR  93          HG22      THR  93  -4.955  12.114  12.114
  710    H    ALA  94           HN       ALA  94  -2.695  11.629  11.629
  711    HA   ALA  94           HA       ALA  94  -4.578  11.119  11.119
  712   1HB   ALA  94           HB1      ALA  94  -2.423  12.930  12.930
  713   2HB   ALA  94           HB3      ALA  94  -2.331  12.484  12.484
  714   3HB   ALA  94           HB2      ALA  94  -3.804  13.210  13.210
  715    H    SER  95           HN       SER  95  -1.100  10.386  10.386
  716    HA   SER  95           HA       SER  95  -1.454   8.257   8.257
  717   1HB   SER  95           HB2      SER  95   1.087   9.095   9.095
  718   2HB   SER  95           HB1      SER  95  -0.291   9.791   9.791
  719    HG   SER  95           HG       SER  95   1.189  11.295  11.295
  720    HA   PRO  96           HA       PRO  96   0.690   6.781   6.781
  721   1HB   PRO  96           HB2      PRO  96  -1.029   4.728   4.728
  722   2HB   PRO  96           HB1      PRO  96  -1.258   6.377   6.377
  723   1HG   PRO  96           HG2      PRO  96  -2.580   4.993   4.993
  724   2HG   PRO  96           HG1      PRO  96  -3.260   6.125   6.125
  725   1HD   PRO  96           HD1      PRO  96  -2.564   6.822   6.822
  726   2HD   PRO  96           HD2      PRO  96  -2.601   7.959   7.959
  727    H    LYS  97           HN       LYS  97   1.561   4.477   4.477
  728    HA   LYS  97           HA       LYS  97   1.854   3.121   3.121
  729   1HB   LYS  97           HB1      LYS  97   3.717   4.067   4.067
  730   2HB   LYS  97           HB2      LYS  97   4.052   2.432   2.432
  731   1HG   LYS  97           HG2      LYS  97   3.613   4.788   4.788
  732   2HG   LYS  97           HG1      LYS  97   5.207   4.256   4.256
  733   1HD   LYS  97           HD2      LYS  97   5.007   2.167   2.167
  734   2HD   LYS  97           HD1      LYS  97   3.261   2.340   2.340
  735   1HE   LYS  97           HE2      LYS  97   3.625   4.239   4.239
  736   2HE   LYS  97           HE1      LYS  97   5.378   4.008   4.008
  737   1HZ   LYS  97           HZ1      LYS  97   3.485   1.864   1.864
  738   2HZ   LYS  97           HZ3      LYS  97   4.378   2.790   2.790
  739   3HZ   LYS  97           HZ2      LYS  97   5.182   1.784   1.784
  740    H    GLU  98           HN       GLU  98   0.396   1.400   1.400
  741    HA   GLU  98           HA       GLU  98  -0.260   0.005   0.005
  742   1HB   GLU  98           HB2      GLU  98  -0.967  -1.768  -1.768
  743   2HB   GLU  98           HB1      GLU  98  -1.499  -0.155  -0.155
  744   1HG   GLU  98           HG2      GLU  98  -0.435  -0.421  -0.421
  745   2HG   GLU  98           HG1      GLU  98   1.095  -0.501  -0.501
  746    H    TYR  99           HN       TYR  99   0.617  -1.875  -1.875
  747    HA   TYR  99           HA       TYR  99   3.464  -2.262  -2.262
  748   1HB   TYR  99           HB1      TYR  99   1.272  -2.987  -2.987
  749   2HB   TYR  99           HB2      TYR  99   2.016  -4.502  -4.502
  750    HD1  TYR  99           HD2      TYR  99   4.604  -4.673  -4.673
  751    HD2  TYR  99           HD1      TYR  99   2.233  -1.724  -1.724
  752    HE1  TYR  99           HE2      TYR  99   6.448  -4.311  -4.311
  753    HE2  TYR  99           HE1      TYR  99   4.073  -1.361  -1.361
  754    HH   TYR  99           HH       TYR  99   7.206  -2.444  -2.444
  755    H    THR 100           HN       THR 100   4.641  -3.771  -3.771
  756    HA   THR 100           HA       THR 100   3.140  -5.346  -5.346
  757    HB   THR 100           HB       THR 100   5.492  -5.534  -5.534
  758    HG1  THR 100           HG1      THR 100   6.612  -5.206  -5.206
  759   1HG2  THR 100          HG21      THR 100   3.686  -3.363  -3.363
  760   2HG2  THR 100          HG23      THR 100   5.297  -2.665  -2.665
  761   3HG2  THR 100          HG22      THR 100   4.916  -3.700  -3.700
  762    H    ALA 101           HN       ALA 101   3.390  -6.153  -6.153
  763    HA   ALA 101           HA       ALA 101   4.464  -8.887  -8.887
  764   1HB   ALA 101           HB1      ALA 101   5.914  -6.894  -6.894
  765   2HB   ALA 101           HB3      ALA 101   5.192  -7.779  -7.779
  766   3HB   ALA 101           HB2      ALA 101   6.198  -8.626  -8.626
  767    H    GLY 102           HN       GLY 102   4.217  -9.738  -9.738
  768   1HA   GLY 102           HA2      GLY 102   2.205  -9.251  -9.251
  769   2HA   GLY 102           HA1      GLY 102   1.257  -9.728  -9.728
  770    H    ARG 103           HN       ARG 103   3.987 -10.911 -10.911
  771    HA   ARG 103           HA       ARG 103   2.731 -13.603 -13.603
  772   1HB   ARG 103           HB2      ARG 103   4.622 -12.913 -12.913
  773   2HB   ARG 103           HB1      ARG 103   5.616 -13.610 -13.610
  774   1HG   ARG 103           HG2      ARG 103   3.572 -15.412 -15.412
  775   2HG   ARG 103           HG1      ARG 103   3.641 -14.912 -14.912
  776   1HD   ARG 103           HD2      ARG 103   5.773 -15.774 -15.774
  777   2HD   ARG 103           HD1      ARG 103   6.223 -15.547 -15.547
  778    HE   ARG 103           HE       ARG 103   4.275 -17.378 -17.378
  779   1HH1  ARG 103          HH11      ARG 103   7.421 -17.630 -17.630
  780   2HH1  ARG 103          HH12      ARG 103   7.282 -19.117 -19.117
  781   1HH2  ARG 103          HH21      ARG 103   3.815 -19.101 -19.101
  782   2HH2  ARG 103          HH22      ARG 103   5.242 -19.951 -19.951
  783    H    GLU 104           HN       GLU 104   5.543 -11.655 -11.655
  784    HA   GLU 104           HA       GLU 104   5.210 -12.537 -12.537
  785   1HB   GLU 104           HB1      GLU 104   7.543 -13.213 -13.213
  786   2HB   GLU 104           HB2      GLU 104   7.694 -13.224 -13.224
  787   1HG   GLU 104           HG2      GLU 104   5.598 -14.745 -14.745
  788   2HG   GLU 104           HG1      GLU 104   5.951 -14.962 -14.962
  789    H    ALA 105           HN       ALA 105   6.587 -11.215 -11.215
  790    HA   ALA 105           HA       ALA 105   6.636  -8.476  -8.476
  791   1HB   ALA 105           HB2      ALA 105   7.312 -10.138 -10.138
  792   2HB   ALA 105           HB1      ALA 105   8.932  -9.676  -9.676
  793   3HB   ALA 105           HB3      ALA 105   7.787  -8.440  -8.440
  794    H    ASP 106           HN       ASP 106   9.051 -10.833 -10.833
  795    HA   ASP 106           HA       ASP 106  11.157  -9.062  -9.062
  796   1HB   ASP 106           HB2      ASP 106  10.159 -11.757 -11.757
  797   2HB   ASP 106           HB1      ASP 106  11.271 -10.994 -10.994
  798    H    ASP 107           HN       ASP 107   8.244 -10.045 -10.045
  799    HA   ASP 107           HA       ASP 107   8.817  -8.675  -8.675
  800   1HB   ASP 107           HB1      ASP 107   6.662 -10.124 -10.124
  801   2HB   ASP 107           HB2      ASP 107   6.049  -8.794  -8.794
  802    H    ILE 108           HN       ILE 108   7.866  -7.530  -7.530
  803    HA   ILE 108           HA       ILE 108   6.644  -5.040  -5.040
  804    HB   ILE 108           HB       ILE 108   7.265  -5.964  -5.964
  805   1HG1  ILE 108          HG12      ILE 108   5.845  -7.589  -7.589
  806   2HG1  ILE 108          HG11      ILE 108   4.963  -6.801  -6.801
  807   1HG2  ILE 108          HG23      ILE 108   5.490  -3.818  -3.818
  808   2HG2  ILE 108          HG22      ILE 108   5.275  -4.422  -4.422
  809   3HG2  ILE 108          HG21      ILE 108   6.783  -3.630  -3.630
  810   1HD1  ILE 108          HD13      ILE 108   4.656  -5.139  -5.139
  811   2HD1  ILE 108          HD12      ILE 108   4.396  -6.790  -6.790
  812   3HD1  ILE 108          HD11      ILE 108   3.424  -6.148  -6.148
  813    H    VAL 109           HN       VAL 109   9.507  -6.064  -6.064
  814    HA   VAL 109           HA       VAL 109  10.579  -3.420  -3.420
  815    HB   VAL 109           HB       VAL 109  11.849  -6.177  -6.177
  816   1HG1  VAL 109          HG22      VAL 109  13.427  -4.196  -4.196
  817   2HG1  VAL 109          HG21      VAL 109  12.865  -3.664  -3.664
  818   3HG1  VAL 109          HG23      VAL 109  13.702  -5.208  -5.208
  819   1HG2  VAL 109          HG11      VAL 109  10.085  -4.801  -4.801
  820   2HG2  VAL 109          HG13      VAL 109  10.669  -6.465  -6.465
  821   3HG2  VAL 109          HG12      VAL 109  11.628  -5.169  -5.169
  822    H    ASN 110           HN       ASN 110  11.461  -6.009  -6.009
  823    HA   ASN 110           HA       ASN 110  13.489  -4.668  -4.668
  824   1HB   ASN 110           HB2      ASN 110  12.854  -6.215  -6.215
  825   2HB   ASN 110           HB1      ASN 110  12.843  -7.008  -7.008
  826   1HD2  ASN 110          HD22      ASN 110   9.680  -7.838  -7.838
  827   2HD2  ASN 110          HD21      ASN 110  11.324  -7.968  -7.968
  828    H    TRP 111           HN       TRP 111   9.999  -4.547  -4.547
  829    HA   TRP 111           HA       TRP 111  10.124  -2.737  -2.737
  830   1HB   TRP 111           HB1      TRP 111   8.251  -4.323  -4.323
  831   2HB   TRP 111           HB2      TRP 111   7.841  -3.001  -3.001
  832    HD1  TRP 111           HD1      TRP 111   8.106  -3.793  -3.793
  833    HE1  TRP 111           HE1      TRP 111   6.614  -2.135  -2.135
  834    HE3  TRP 111           HE3      TRP 111   6.660  -0.745  -0.745
  835    HZ2  TRP 111           HZ2      TRP 111   5.017   0.180   0.180
  836    HZ3  TRP 111           HZ3      TRP 111   5.154   1.177   1.177
  837    HH2  TRP 111           HH2      TRP 111   4.331   1.644   1.644
  838    H    LEU 112           HN       LEU 112  10.114  -2.330  -2.330
  839    HA   LEU 112           HA       LEU 112   9.519   0.534   0.534
  840   1HB   LEU 112           HB2      LEU 112  10.079  -1.625  -1.625
  841   2HB   LEU 112           HB1      LEU 112  10.605  -0.019  -0.019
  842    HG   LEU 112           HG       LEU 112   7.861  -0.374  -0.374
  843   1HD1  LEU 112          HD13      LEU 112   8.226  -2.093  -2.093
  844   2HD1  LEU 112          HD12      LEU 112   8.506  -0.745  -0.745
  845   3HD1  LEU 112          HD11      LEU 112   6.937  -0.931  -0.931
  846   1HD2  LEU 112          HD21      LEU 112   9.364   1.755   1.755
  847   2HD2  LEU 112          HD23      LEU 112   7.645   1.770   1.770
  848   3HD2  LEU 112          HD22      LEU 112   8.172   1.369   1.369
  849    H    LYS 113           HN       LYS 113  12.435  -1.486  -1.486
  850    HA   LYS 113           HA       LYS 113  14.247   0.734   0.734
  851   1HB   LYS 113           HB2      LYS 113  14.243  -2.115  -2.115
  852   2HB   LYS 113           HB1      LYS 113  15.501  -1.601  -1.601
  853   1HG   LYS 113           HG2      LYS 113  16.728  -0.531  -0.531
  854   2HG   LYS 113           HG1      LYS 113  15.305  -0.184  -0.184
  855   1HD   LYS 113           HD2      LYS 113  15.137  -2.646  -2.646
  856   2HD   LYS 113           HD1      LYS 113  16.681  -2.864  -2.864
  857   1HE   LYS 113           HE2      LYS 113  17.353  -0.844  -0.844
  858   2HE   LYS 113           HE1      LYS 113  16.127  -1.670  -1.670
  859   1HZ   LYS 113           HZ3      LYS 113  17.242  -3.781  -3.781
  860   2HZ   LYS 113           HZ2      LYS 113  18.456  -2.943  -2.943
  861   3HZ   LYS 113           HZ1      LYS 113  18.265  -2.714  -2.714
  862    H    LYS 114           HN       LYS 114  12.772  -0.721  -0.721
  863    HA   LYS 114           HA       LYS 114  14.749  -0.015  -0.015
  864   1HB   LYS 114           HB2      LYS 114  12.807  -1.665  -1.665
  865   2HB   LYS 114           HB1      LYS 114  11.748  -0.269  -0.269
  866   1HG   LYS 114           HG2      LYS 114  12.445   0.104   0.104
  867   2HG   LYS 114           HG1      LYS 114  14.121  -0.297  -0.297
  868   1HD   LYS 114           HD2      LYS 114  13.853  -2.496  -2.496
  869   2HD   LYS 114           HD1      LYS 114  12.223  -2.565  -2.565
  870   1HE   LYS 114           HE2      LYS 114  11.468  -2.524  -2.524
  871   2HE   LYS 114           HE1      LYS 114  12.018  -0.837  -0.837
  872   1HZ   LYS 114           HZ3      LYS 114  13.717  -3.222  -3.222
  873   2HZ   LYS 114           HZ2      LYS 114  13.090  -2.195  -2.195
  874   3HZ   LYS 114           HZ1      LYS 114  14.224  -1.606  -1.606
  875    H    ARG 115           HN       ARG 115  12.148   1.753   1.753
  876    HA   ARG 115           HA       ARG 115  12.196   3.977   3.977
  877   1HB   ARG 115           HB2      ARG 115  10.370   2.937   2.937
  878   2HB   ARG 115           HB1      ARG 115  11.002   4.255   4.255
  879   1HG   ARG 115           HG2      ARG 115   9.572   5.589   5.589
  880   2HG   ARG 115           HG1      ARG 115  10.695   5.435   5.435
  881   1HD   ARG 115           HD2      ARG 115   9.346   3.171   3.171
  882   2HD   ARG 115           HD1      ARG 115   8.073   4.057   4.057
  883    HE   ARG 115           HE       ARG 115   8.579   5.954   5.954
  884   1HH1  ARG 115          HH11      ARG 115   7.630   2.885   2.885
  885   2HH1  ARG 115          HH12      ARG 115   8.127   2.918   2.918
  886   1HH2  ARG 115          HH21      ARG 115   9.878   5.896   5.896
  887   2HH2  ARG 115          HH22      ARG 115   9.399   4.622   4.622
  888    H    THR 116           HN       THR 116  13.837   3.098   3.098
  889    HA   THR 116           HA       THR 116  15.332   5.678   5.678
  890    HB   THR 116           HB       THR 116  13.449   5.888   5.888
  891    HG1  THR 116           HG1      THR 116  15.846   5.546   5.546
  892   1HG2  THR 116          HG23      THR 116  13.718   3.263   3.263
  893   2HG2  THR 116          HG22      THR 116  14.680   3.864   3.864
  894   3HG2  THR 116          HG21      THR 116  12.991   4.346   4.346
  895    H    GLY 117           HN       GLY 117  16.391   3.309   3.309
  896   1HA   GLY 117           HA1      GLY 117  17.978   2.161   2.161
  897   2HA   GLY 117           HA2      GLY 117  17.831   1.457   1.457
  898    HA   PRO 118           HA       PRO 118  21.790   3.888   3.888
  899   1HB   PRO 118           HB1      PRO 118  23.445   1.858   1.858
  900   2HB   PRO 118           HB2      PRO 118  23.011   2.146   2.146
  901   1HG   PRO 118           HG2      PRO 118  21.938   0.143   0.143
  902   2HG   PRO 118           HG1      PRO 118  22.276  -0.026  -0.026
  903   1HD   PRO 118           HD2      PRO 118  19.771   0.339   0.339
  904   2HD   PRO 118           HD1      PRO 118  20.252   0.843   0.843
  905    H    ALA 119           HN       ALA 119  20.233   4.543   4.543
  906    HA   ALA 119           HA       ALA 119  21.582   3.669   3.669
  907   1HB   ALA 119           HB1      ALA 119  18.929   3.408   3.408
  908   2HB   ALA 119           HB3      ALA 119  18.904   4.821   4.821
  909   3HB   ALA 119           HB2      ALA 119  19.513   3.282   3.282
  910    H    ALA 120           HN       ALA 120  21.611   5.388   5.388
  911    HA   ALA 120           HA       ALA 120  21.825   8.118   8.118
  912   1HB   ALA 120           HB3      ALA 120  23.384   6.511   6.511
  913   2HB   ALA 120           HB2      ALA 120  23.271   8.241   8.241
  914   3HB   ALA 120           HB1      ALA 120  23.952   7.669   7.669

  Start of MODEL   17
    1   1H    ASP   1           HT1      ASP   1  -6.550  13.501  13.501
    2   2H    ASP   1           HT3      ASP   1  -7.966  12.813  12.813
    3   3H    ASP   1           HT2      ASP   1  -8.029  13.715  13.715
    4    HA   ASP   1           HA       ASP   1  -6.884  12.063  12.063
    5   1HB   ASP   1           HB2      ASP   1  -9.331  11.765  11.765
    6   2HB   ASP   1           HB1      ASP   1  -8.523  10.224  10.224
    7    H    ALA   2           HN       ALA   2  -6.186   9.599   9.599
    8    HA   ALA   2           HA       ALA   2  -4.177   9.512   9.512
    9   1HB   ALA   2           HB1      ALA   2  -3.677   9.288   9.288
   10   2HB   ALA   2           HB3      ALA   2  -4.435   7.699   7.699
   11   3HB   ALA   2           HB2      ALA   2  -2.986   8.050   8.050
   12    HA   PRO   3           HA       PRO   3  -6.601   6.380   6.380
   13   1HB   PRO   3           HB2      PRO   3  -4.690   5.387   5.387
   14   2HB   PRO   3           HB1      PRO   3  -5.502   6.941   6.941
   15   1HG   PRO   3           HG2      PRO   3  -2.799   6.373   6.373
   16   2HG   PRO   3           HG1      PRO   3  -3.334   7.692   7.692
   17   1HD   PRO   3           HD2      PRO   3  -2.912   7.948   7.948
   18   2HD   PRO   3           HD1      PRO   3  -3.993   8.989   8.989
   19    H    GLU   4           HN       GLU   4  -6.655   3.989   3.989
   20    HA   GLU   4           HA       GLU   4  -5.606   2.650   2.650
   21   1HB   GLU   4           HB1      GLU   4  -7.255   2.087   2.087
   22   2HB   GLU   4           HB2      GLU   4  -6.405   0.684   0.684
   23   1HG   GLU   4           HG2      GLU   4  -7.615   2.344   2.344
   24   2HG   GLU   4           HG1      GLU   4  -8.800   1.689   1.689
   25    H    GLU   5           HN       GLU   5  -4.342   0.496   0.496
   26    HA   GLU   5           HA       GLU   5  -2.370   0.585   0.585
   27   1HB   GLU   5           HB2      GLU   5  -1.896   1.254   1.254
   28   2HB   GLU   5           HB1      GLU   5  -0.638   0.350   0.350
   29   1HG   GLU   5           HG2      GLU   5  -1.330   2.316   2.316
   30   2HG   GLU   5           HG1      GLU   5  -1.423   3.160   3.160
   31    H    GLU   6           HN       GLU   6  -1.631  -1.493  -1.493
   32    HA   GLU   6           HA       GLU   6  -2.328  -3.682  -3.682
   33   1HB   GLU   6           HB2      GLU   6  -2.704  -4.982  -4.982
   34   2HB   GLU   6           HB1      GLU   6  -3.912  -3.770  -3.770
   35   1HG   GLU   6           HG2      GLU   6  -3.242  -2.357  -2.357
   36   2HG   GLU   6           HG1      GLU   6  -1.573  -2.924  -2.924
   37    H    ASP   7           HN       ASP   7  -0.356  -4.457  -4.457
   38    HA   ASP   7           HA       ASP   7   1.893  -5.205  -5.205
   39   1HB   ASP   7           HB2      ASP   7   1.047  -5.727  -5.727
   40   2HB   ASP   7           HB1      ASP   7   2.380  -6.519  -6.519
   41    H    HIS   8           HN       HIS   8   3.497  -5.034  -5.034
   42    HA   HIS   8           HA       HIS   8   4.292  -2.201  -2.201
   43   1HB   HIS   8           HB2      HIS   8   5.372  -4.733  -4.733
   44   2HB   HIS   8           HB1      HIS   8   6.007  -3.199  -3.199
   45    HD1  HIS   8           HD1      HIS   8   5.129  -4.467  -4.467
   46    HD2  HIS   8           HD2      HIS   8   8.259  -2.609  -2.609
   47    HE1  HIS   8           HE1      HIS   8   6.943  -4.039  -4.039
   48    H    VAL   9           HN       VAL   9   1.751  -2.327  -2.327
   49    HA   VAL   9           HA       VAL   9   2.289  -1.496  -1.496
   50    HB   VAL   9           HB       VAL   9   0.041  -3.290  -3.290
   51   1HG1  VAL   9          HG12      VAL   9  -0.152  -1.700  -1.700
   52   2HG1  VAL   9          HG11      VAL   9   0.845  -2.940  -2.940
   53   3HG1  VAL   9          HG13      VAL   9  -0.727  -3.364  -3.364
   54   1HG2  VAL   9          HG22      VAL   9   2.757  -3.837  -3.837
   55   2HG2  VAL   9          HG21      VAL   9   1.804  -4.776  -4.776
   56   3HG2  VAL   9          HG23      VAL   9   1.431  -4.849  -4.849
   57    H    LEU  10           HN       LEU  10   0.652   0.041   0.041
   58    HA   LEU  10           HA       LEU  10  -0.777   1.424   1.424
   59   1HB   LEU  10           HB1      LEU  10   1.066   2.292   2.292
   60   2HB   LEU  10           HB2      LEU  10  -0.477   2.829   2.829
   61    HG   LEU  10           HG       LEU  10   0.470   4.549   4.549
   62   1HD1  LEU  10          HD22      LEU  10  -2.106   3.585   3.585
   63   2HD1  LEU  10          HD21      LEU  10  -1.694   3.566   3.566
   64   3HD1  LEU  10          HD23      LEU  10  -1.583   5.069   5.069
   65   1HD2  LEU  10          HD11      LEU  10   1.463   2.485   2.485
   66   2HD2  LEU  10          HD13      LEU  10   1.279   4.118   4.118
   67   3HD2  LEU  10          HD12      LEU  10   0.051   2.896   2.896
   68    H    VAL  11           HN       VAL  11  -2.982   1.913   1.913
   69    HA   VAL  11           HA       VAL  11  -4.337   0.618   0.618
   70    HB   VAL  11           HB       VAL  11  -4.880  -0.316  -0.316
   71   1HG1  VAL  11          HG21      VAL  11  -4.780   2.494   2.494
   72   2HG1  VAL  11          HG23      VAL  11  -6.269   1.737   1.737
   73   3HG1  VAL  11          HG22      VAL  11  -4.705   1.066   1.066
   74   1HG2  VAL  11          HG12      VAL  11  -7.005   1.425   1.425
   75   2HG2  VAL  11          HG11      VAL  11  -6.757  -0.309  -0.309
   76   3HG2  VAL  11          HG13      VAL  11  -7.367   0.322   0.322
   77    H    LEU  12           HN       LEU  12  -5.816   1.883   1.883
   78    HA   LEU  12           HA       LEU  12  -5.740   4.814   4.814
   79   1HB   LEU  12           HB1      LEU  12  -6.218   3.232   3.232
   80   2HB   LEU  12           HB2      LEU  12  -6.242   4.992   4.992
   81    HG   LEU  12           HG       LEU  12  -3.887   3.204   3.204
   82   1HD1  LEU  12          HD23      LEU  12  -4.819   4.421   4.421
   83   2HD1  LEU  12          HD22      LEU  12  -3.249   5.081   5.081
   84   3HD1  LEU  12          HD21      LEU  12  -3.450   3.340   3.340
   85   1HD2  LEU  12          HD12      LEU  12  -4.437   6.135   6.135
   86   2HD2  LEU  12          HD11      LEU  12  -3.582   5.029   5.029
   87   3HD2  LEU  12          HD13      LEU  12  -2.798   5.615   5.615
   88    H    ARG  13           HN       ARG  13  -7.767   5.948   5.948
   89    HA   ARG  13           HA       ARG  13 -10.282   4.451   4.451
   90   1HB   ARG  13           HB2      ARG  13  -9.204   5.052   5.052
   91   2HB   ARG  13           HB1      ARG  13 -10.110   6.534   6.534
   92   1HG   ARG  13           HG2      ARG  13 -12.128   5.124   5.124
   93   2HG   ARG  13           HG1      ARG  13 -11.203   3.706   3.706
   94   1HD   ARG  13           HD1      ARG  13 -11.776   4.139   4.139
   95   2HD   ARG  13           HD2      ARG  13 -10.889   5.671   5.671
   96    HE   ARG  13           HE       ARG  13 -13.062   6.554   6.554
   97   1HH1  ARG  13          HH21      ARG  13 -12.743   5.122   5.122
   98   2HH1  ARG  13          HH22      ARG  13 -14.435   4.858   4.858
   99   1HH2  ARG  13          HH11      ARG  13 -15.345   5.723   5.723
  100   2HH2  ARG  13          HH12      ARG  13 -15.907   5.197   5.197
  101    H    LYS  14           HN       LYS  14 -12.155   6.165   6.165
  102    HA   LYS  14           HA       LYS  14 -11.688   7.992   7.992
  103   1HB   LYS  14           HB2      LYS  14 -13.831   6.973   6.973
  104   2HB   LYS  14           HB1      LYS  14 -14.011   8.717   8.717
  105   1HG   LYS  14           HG2      LYS  14 -13.238   7.438   7.438
  106   2HG   LYS  14           HG1      LYS  14 -14.750   6.786   6.786
  107   1HD   LYS  14           HD1      LYS  14 -14.548   9.714   9.714
  108   2HD   LYS  14           HD2      LYS  14 -14.523   9.119   9.119
  109   1HE   LYS  14           HE2      LYS  14 -16.832   9.308   9.308
  110   2HE   LYS  14           HE1      LYS  14 -16.548   7.618   7.618
  111   1HZ   LYS  14           HZ3      LYS  14 -16.231   9.842   9.842
  112   2HZ   LYS  14           HZ2      LYS  14 -17.731   9.080   9.080
  113   3HZ   LYS  14           HZ1      LYS  14 -16.399   8.188   8.188
  114    H    SER  15           HN       SER  15 -11.058   8.305   8.305
  115    HA   SER  15           HA       SER  15 -11.227  11.285  11.285
  116   1HB   SER  15           HB2      SER  15 -11.607   9.183   9.183
  117   2HB   SER  15           HB1      SER  15 -10.642  10.535  10.535
  118    HG   SER  15           HG       SER  15 -12.313  11.923  11.923
  119    H    ASN  16           HN       ASN  16  -8.874   8.771   8.771
  120    HA   ASN  16           HA       ASN  16  -6.750  10.806  10.806
  121   1HB   ASN  16           HB2      ASN  16  -5.505   9.043   9.043
  122   2HB   ASN  16           HB1      ASN  16  -7.079   9.325   9.325
  123   1HD2  ASN  16          HD22      ASN  16  -7.611   5.839   5.839
  124   2HD2  ASN  16          HD21      ASN  16  -7.485   7.210   7.210
  125    H    PHE  17           HN       PHE  17  -8.022   8.869   8.869
  126    HA   PHE  17           HA       PHE  17  -5.811   7.457   7.457
  127   1HB   PHE  17           HB1      PHE  17  -8.191   7.265   7.265
  128   2HB   PHE  17           HB2      PHE  17  -8.115   8.880   8.880
  129    HD1  PHE  17           HD2      PHE  17  -6.370   9.322   9.322
  130    HD2  PHE  17           HD1      PHE  17  -7.495   5.383   5.383
  131    HE1  PHE  17           HE2      PHE  17  -5.458   8.372   8.372
  132    HE2  PHE  17           HE1      PHE  17  -6.585   4.435   4.435
  133    HZ   PHE  17           HZ       PHE  17  -5.539   5.941   5.941
  134    H    ALA  18           HN       ALA  18  -7.080  10.649  10.649
  135    HA   ALA  18           HA       ALA  18  -4.934  11.350  11.350
  136   1HB   ALA  18           HB1      ALA  18  -6.834  13.035  13.035
  137   2HB   ALA  18           HB3      ALA  18  -5.883  13.639  13.639
  138   3HB   ALA  18           HB2      ALA  18  -7.134  12.425  12.425
  139    H    GLU  19           HN       GLU  19  -4.981  11.185  11.185
  140    HA   GLU  19           HA       GLU  19  -2.934  13.239  13.239
  141   1HB   GLU  19           HB2      GLU  19  -4.720  12.645  12.645
  142   2HB   GLU  19           HB1      GLU  19  -4.021  11.034  11.034
  143   1HG   GLU  19           HG2      GLU  19  -2.454  11.775  11.775
  144   2HG   GLU  19           HG1      GLU  19  -1.976  13.061  13.061
  145    H    ALA  20           HN       ALA  20  -3.013   9.719   9.719
  146    HA   ALA  20           HA       ALA  20  -0.285   9.251   9.251
  147   1HB   ALA  20           HB3      ALA  20  -2.174   7.632   7.632
  148   2HB   ALA  20           HB2      ALA  20  -2.266   7.534   7.534
  149   3HB   ALA  20           HB1      ALA  20  -0.826   6.959   6.959
  150    H    LEU  21           HN       LEU  21  -2.035   9.644   9.644
  151    HA   LEU  21           HA       LEU  21   0.007   8.865   8.865
  152   1HB   LEU  21           HB2      LEU  21  -2.558  10.023  10.023
  153   2HB   LEU  21           HB1      LEU  21  -1.525  11.181  11.181
  154    HG   LEU  21           HG       LEU  21  -0.816   8.539   8.539
  155   1HD1  LEU  21          HD11      LEU  21  -3.432   8.500   8.500
  156   2HD1  LEU  21          HD13      LEU  21  -3.596   8.981   8.981
  157   3HD1  LEU  21          HD12      LEU  21  -2.772   7.477   7.477
  158   1HD2  LEU  21          HD22      LEU  21  -1.207  11.116  11.116
  159   2HD2  LEU  21          HD21      LEU  21  -0.636   9.697   9.697
  160   3HD2  LEU  21          HD23      LEU  21  -2.356  10.091  10.091
  161    H    ALA  22           HN       ALA  22  -0.870  12.213  12.213
  162    HA   ALA  22           HA       ALA  22   1.664  13.303  13.303
  163   1HB   ALA  22           HB2      ALA  22  -0.699  14.361  14.361
  164   2HB   ALA  22           HB1      ALA  22  -0.268  14.579  14.579
  165   3HB   ALA  22           HB3      ALA  22   0.691  15.355  15.355
  166    H    ALA  23           HN       ALA  23   0.749  11.604  11.604
  167    HA   ALA  23           HA       ALA  23   2.271  12.925  12.925
  168   1HB   ALA  23           HB2      ALA  23   0.481  11.159  11.159
  169   2HB   ALA  23           HB1      ALA  23   1.654   9.972   9.972
  170   3HB   ALA  23           HB3      ALA  23   1.935  10.826  10.826
  171    H    HIS  24           HN       HIS  24   3.153  10.468  10.468
  172    HA   HIS  24           HA       HIS  24   6.024  10.870  10.870
  173   1HB   HIS  24           HB2      HIS  24   4.335   8.512   8.512
  174   2HB   HIS  24           HB1      HIS  24   5.710   8.291   8.291
  175    HD1  HIS  24           HD1      HIS  24   8.113   9.079   9.079
  176    HD2  HIS  24           HD2      HIS  24   4.987   8.036   8.036
  177    HE1  HIS  24           HE1      HIS  24   9.161   8.595   8.595
  178    H    LYS  25           HN       LYS  25   7.539  10.579  10.579
  179    HA   LYS  25           HA       LYS  25   6.866  11.813  11.813
  180   1HB   LYS  25           HB2      LYS  25   9.030  10.150  10.150
  181   2HB   LYS  25           HB1      LYS  25   8.944  10.134  10.134
  182   1HG   LYS  25           HG1      LYS  25   8.618  12.781  12.781
  183   2HG   LYS  25           HG2      LYS  25   9.598  12.372  12.372
  184   1HD   LYS  25           HD2      LYS  25  10.311  11.632  11.632
  185   2HD   LYS  25           HD1      LYS  25  10.970  13.022  13.022
  186   1HE   LYS  25           HE2      LYS  25  11.201  10.156  10.156
  187   2HE   LYS  25           HE1      LYS  25  12.482  11.024  11.024
  188   1HZ   LYS  25           HZ3      LYS  25  12.086  12.850  12.850
  189   2HZ   LYS  25           HZ2      LYS  25  11.284  11.662  11.662
  190   3HZ   LYS  25           HZ1      LYS  25  12.925  11.469  11.469
  191    H    TYR  26           HN       TYR  26   6.751   8.401   8.401
  192    HA   TYR  26           HA       TYR  26   5.277   7.804   7.804
  193   1HB   TYR  26           HB2      TYR  26   7.234   6.036   6.036
  194   2HB   TYR  26           HB1      TYR  26   6.473   5.666   5.666
  195    HD1  TYR  26           HD2      TYR  26   6.715   7.840   7.840
  196    HD2  TYR  26           HD1      TYR  26   9.469   6.650   6.650
  197    HE1  TYR  26           HE2      TYR  26   8.549   9.012   9.012
  198    HE2  TYR  26           HE1      TYR  26  11.302   7.822   7.822
  199    HH   TYR  26           HH       TYR  26  11.096   8.812   8.812
  200    H    LEU  27           HN       LEU  27   3.637   6.082   6.082
  201    HA   LEU  27           HA       LEU  27   3.088   5.241   5.241
  202   1HB   LEU  27           HB1      LEU  27   1.993   7.548   7.548
  203   2HB   LEU  27           HB2      LEU  27   0.719   6.347   6.347
  204    HG   LEU  27           HG       LEU  27   0.502   7.460   7.460
  205   1HD1  LEU  27          HD23      LEU  27   1.404   4.572   4.572
  206   2HD1  LEU  27          HD22      LEU  27   0.680   5.373   5.373
  207   3HD1  LEU  27          HD21      LEU  27  -0.248   5.182   5.182
  208   1HD2  LEU  27          HD13      LEU  27   3.070   7.834   7.834
  209   2HD2  LEU  27          HD12      LEU  27   2.227   7.474   7.474
  210   3HD2  LEU  27          HD11      LEU  27   3.132   6.209   6.209
  211    H    LEU  28           HN       LEU  28   2.792   3.075   3.075
  212    HA   LEU  28           HA       LEU  28   1.578   2.003   2.003
  213   1HB   LEU  28           HB2      LEU  28   3.551   1.192   1.192
  214   2HB   LEU  28           HB1      LEU  28   2.182   0.156   0.156
  215    HG   LEU  28           HG       LEU  28   3.612  -0.855  -0.855
  216   1HD1  LEU  28          HD23      LEU  28   0.810  -0.506  -0.506
  217   2HD1  LEU  28          HD22      LEU  28   1.331  -0.321  -0.321
  218   3HD1  LEU  28          HD21      LEU  28   1.728  -1.791  -1.791
  219   1HD2  LEU  28          HD13      LEU  28   4.050   1.601   1.601
  220   2HD2  LEU  28          HD12      LEU  28   4.111   0.204   0.204
  221   3HD2  LEU  28          HD11      LEU  28   2.666   1.215   1.215
  222    H    VAL  29           HN       VAL  29  -0.549   1.316   1.316
  223    HA   VAL  29           HA       VAL  29  -1.986   0.765   0.765
  224    HB   VAL  29           HB       VAL  29  -2.314   3.124   3.124
  225   1HG1  VAL  29          HG13      VAL  29  -2.036   2.539   2.539
  226   2HG1  VAL  29          HG12      VAL  29  -3.537   3.432   3.432
  227   3HG1  VAL  29          HG11      VAL  29  -2.005   4.110   4.110
  228   1HG2  VAL  29          HG22      VAL  29  -4.390   1.576   1.576
  229   2HG2  VAL  29          HG21      VAL  29  -4.653   3.277   3.277
  230   3HG2  VAL  29          HG23      VAL  29  -4.763   2.061   2.061
  231    H    GLU  30           HN       GLU  30  -3.240  -1.005  -1.005
  232    HA   GLU  30           HA       GLU  30  -3.958  -1.774  -1.774
  233   1HB   GLU  30           HB1      GLU  30  -2.401  -3.295  -3.295
  234   2HB   GLU  30           HB2      GLU  30  -3.360  -3.343  -3.343
  235   1HG   GLU  30           HG2      GLU  30  -5.199  -4.442  -4.442
  236   2HG   GLU  30           HG1      GLU  30  -4.274  -4.363  -4.363
  237    H    PHE  31           HN       PHE  31  -6.077  -2.712  -2.712
  238    HA   PHE  31           HA       PHE  31  -8.071  -1.927  -1.927
  239   1HB   PHE  31           HB2      PHE  31  -8.163  -2.172  -2.172
  240   2HB   PHE  31           HB1      PHE  31  -9.575  -1.834  -1.834
  241    HD1  PHE  31           HD1      PHE  31  -9.698   0.267   0.267
  242    HD2  PHE  31           HD2      PHE  31  -6.495  -0.493  -0.493
  243    HE1  PHE  31           HE1      PHE  31  -9.087   2.670   2.670
  244    HE2  PHE  31           HE2      PHE  31  -5.885   1.909   1.909
  245    HZ   PHE  31           HZ       PHE  31  -7.181   3.492   3.492
  246    H    TYR  32           HN       TYR  32  -8.800  -3.752  -3.752
  247    HA   TYR  32           HA       TYR  32  -9.657  -6.082  -6.082
  248   1HB   TYR  32           HB2      TYR  32  -8.164  -7.622  -7.622
  249   2HB   TYR  32           HB1      TYR  32  -7.167  -6.243  -6.243
  250    HD1  TYR  32           HD2      TYR  32  -7.190  -4.289  -4.289
  251    HD2  TYR  32           HD1      TYR  32  -7.809  -8.489  -8.489
  252    HE1  TYR  32           HE2      TYR  32  -6.512  -4.021  -4.021
  253    HE2  TYR  32           HE1      TYR  32  -7.127  -8.221  -8.221
  254    HH   TYR  32           HH       TYR  32  -6.024  -6.787  -6.787
  255    H    ALA  33           HN       ALA  33 -10.463  -7.851  -7.851
  256    HA   ALA  33           HA       ALA  33 -12.035  -6.342  -6.342
  257   1HB   ALA  33           HB2      ALA  33 -12.907  -7.710  -7.710
  258   2HB   ALA  33           HB1      ALA  33 -13.072  -8.921  -8.921
  259   3HB   ALA  33           HB3      ALA  33 -13.895  -7.369  -7.369
  260    HA   PRO  34           HA       PRO  34 -10.363  -9.072  -9.072
  261   1HB   PRO  34           HB1      PRO  34 -12.508  -9.504  -9.504
  262   2HB   PRO  34           HB2      PRO  34 -11.605  -7.977  -7.977
  263   1HG   PRO  34           HG2      PRO  34 -14.199  -8.687  -8.687
  264   2HG   PRO  34           HG1      PRO  34 -13.721  -7.188  -7.188
  265   1HD   PRO  34           HD1      PRO  34 -13.773  -7.439  -7.439
  266   2HD   PRO  34           HD2      PRO  34 -12.639  -6.367  -6.367
  267    H    TRP  35           HN       TRP  35 -12.950 -10.056 -10.056
  268    HA   TRP  35           HA       TRP  35 -12.568 -12.915 -12.915
  269   1HB   TRP  35           HB2      TRP  35 -14.873 -13.204 -13.204
  270   2HB   TRP  35           HB1      TRP  35 -14.820 -12.012 -12.012
  271    HD1  TRP  35           HD1      TRP  35 -15.234  -9.489  -9.489
  272    HE1  TRP  35           HE1      TRP  35 -16.160  -8.327  -8.327
  273    HE3  TRP  35           HE3      TRP  35 -14.971 -13.354 -13.354
  274    HZ2  TRP  35           HZ2      TRP  35 -16.718  -8.954  -8.954
  275    HZ3  TRP  35           HZ3      TRP  35 -15.705 -13.043 -13.043
  276    HH2  TRP  35           HH2      TRP  35 -16.578 -10.851 -10.851
  277    H    CYS  36           HN       CYS  36 -11.483 -10.828 -10.828
  278    HA   CYS  36           HA       CYS  36 -12.100 -11.857 -11.857
  279   1HB   CYS  36           HB2      CYS  36 -10.768  -9.848  -9.848
  280   2HB   CYS  36           HB1      CYS  36  -9.487 -10.830 -10.830
  281    H    GLY  37           HN       GLY  37 -11.041 -13.474 -13.474
  282   1HA   GLY  37           HA2      GLY  37  -9.920 -15.716 -15.716
  283   2HA   GLY  37           HA1      GLY  37 -10.558 -15.845 -15.845
  284    H    HIS  38           HN       HIS  38  -7.844 -16.516 -16.516
  285    HA   HIS  38           HA       HIS  38  -5.589 -16.462 -16.462
  286   1HB   HIS  38           HB2      HIS  38  -7.196 -16.586 -16.586
  287   2HB   HIS  38           HB1      HIS  38  -6.336 -15.082 -15.082
  288    HD1  HIS  38           HD1      HIS  38  -5.802 -17.624 -17.624
  289    HD2  HIS  38           HD2      HIS  38  -3.538 -16.533 -16.533
  290    HE1  HIS  38           HE1      HIS  38  -3.555 -18.759 -18.759
  291    H    CYS  39           HN       CYS  39  -7.097 -13.903 -13.903
  292    HA   CYS  39           HA       CYS  39  -5.336 -11.772 -11.772
  293   1HB   CYS  39           HB2      CYS  39  -7.839 -12.050 -12.050
  294   2HB   CYS  39           HB1      CYS  39  -6.823 -10.682 -10.682
  295    H    LYS  40           HN       LYS  40  -5.551 -13.961 -13.961
  296    HA   LYS  40           HA       LYS  40  -3.805 -12.377 -12.377
  297   1HB   LYS  40           HB2      LYS  40  -4.790 -15.246 -15.246
  298   2HB   LYS  40           HB1      LYS  40  -4.110 -14.308 -14.308
  299   1HG   LYS  40           HG1      LYS  40  -6.594 -13.489 -13.489
  300   2HG   LYS  40           HG2      LYS  40  -6.633 -14.393 -14.393
  301   1HD   LYS  40           HD2      LYS  40  -4.902 -12.281 -12.281
  302   2HD   LYS  40           HD1      LYS  40  -6.162 -11.541 -11.541
  303   1HE   LYS  40           HE2      LYS  40  -7.863 -12.685 -12.685
  304   2HE   LYS  40           HE1      LYS  40  -6.502 -13.045 -13.045
  305   1HZ   LYS  40           HZ1      LYS  40  -5.916 -10.599 -10.599
  306   2HZ   LYS  40           HZ3      LYS  40  -7.494 -10.403 -10.403
  307   3HZ   LYS  40           HZ2      LYS  40  -7.244 -10.958 -10.958
  308    H    ALA  41           HN       ALA  41  -3.324 -14.452 -14.452
  309    HA   ALA  41           HA       ALA  41  -1.089 -16.018 -16.018
  310   1HB   ALA  41           HB2      ALA  41  -2.172 -14.679 -14.679
  311   2HB   ALA  41           HB1      ALA  41  -0.548 -15.357 -15.357
  312   3HB   ALA  41           HB3      ALA  41  -1.913 -16.395 -16.395
  313    H    LEU  42           HN       LEU  42  -1.051 -12.688 -12.688
  314    HA   LEU  42           HA       LEU  42   1.815 -12.447 -12.447
  315   1HB   LEU  42           HB2      LEU  42   0.841 -11.895 -11.895
  316   2HB   LEU  42           HB1      LEU  42   0.059 -10.513 -10.513
  317    HG   LEU  42           HG       LEU  42   2.618 -10.242 -10.242
  318   1HD1  LEU  42          HD13      LEU  42   2.717 -12.030 -12.030
  319   2HD1  LEU  42          HD12      LEU  42   3.560 -10.524 -10.524
  320   3HD1  LEU  42          HD11      LEU  42   4.036 -11.480 -11.480
  321   1HD2  LEU  42          HD23      LEU  42   1.228  -9.163  -9.163
  322   2HD2  LEU  42          HD22      LEU  42   1.477  -8.373  -8.373
  323   3HD2  LEU  42          HD21      LEU  42   2.837  -8.605  -8.605
  324    H    ALA  43           HN       ALA  43  -0.691 -12.236 -12.236
  325    HA   ALA  43           HA       ALA  43  -0.844  -9.484  -9.484
  326   1HB   ALA  43           HB2      ALA  43  -2.032 -12.017 -12.017
  327   2HB   ALA  43           HB1      ALA  43  -1.474 -11.365 -11.365
  328   3HB   ALA  43           HB3      ALA  43  -2.586 -10.433 -10.433
  329    HA   PRO  44           HA       PRO  44   2.117 -10.841 -10.841
  330   1HB   PRO  44           HB2      PRO  44   3.315 -13.295 -13.295
  331   2HB   PRO  44           HB1      PRO  44   1.760 -13.026 -13.026
  332   1HG   PRO  44           HG2      PRO  44   2.337 -14.138 -14.138
  333   2HG   PRO  44           HG1      PRO  44   1.089 -14.599 -14.599
  334   1HD   PRO  44           HD1      PRO  44   0.627 -13.052 -13.052
  335   2HD   PRO  44           HD2      PRO  44  -0.368 -13.009 -13.009
  336    H    GLU  45           HN       GLU  45   2.695 -11.321 -11.321
  337    HA   GLU  45           HA       GLU  45   5.644 -11.139 -11.139
  338   1HB   GLU  45           HB2      GLU  45   3.636 -11.408 -11.408
  339   2HB   GLU  45           HB1      GLU  45   5.365 -11.227 -11.227
  340   1HG   GLU  45           HG1      GLU  45   5.267 -13.527 -13.527
  341   2HG   GLU  45           HG2      GLU  45   5.471 -13.212 -13.212
  342    H    TYR  46           HN       TYR  46   2.823  -9.221  -9.221
  343    HA   TYR  46           HA       TYR  46   4.313  -6.936  -6.936
  344   1HB   TYR  46           HB2      TYR  46   2.190  -6.980  -6.980
  345   2HB   TYR  46           HB1      TYR  46   1.535  -7.850  -7.850
  346    HD1  TYR  46           HD2      TYR  46   2.322  -4.498  -4.498
  347    HD2  TYR  46           HD1      TYR  46   0.613  -6.695  -6.695
  348    HE1  TYR  46           HE2      TYR  46   1.299  -2.416  -2.416
  349    HE2  TYR  46           HE1      TYR  46  -0.410  -4.616  -4.616
  350    HH   TYR  46           HH       TYR  46   0.524  -1.647  -1.647
  351    H    ALA  47           HN       ALA  47   3.221  -8.074  -8.074
  352    HA   ALA  47           HA       ALA  47   3.541  -5.480  -5.480
  353   1HB   ALA  47           HB3      ALA  47   1.901  -7.265  -7.265
  354   2HB   ALA  47           HB2      ALA  47   3.258  -8.297  -8.297
  355   3HB   ALA  47           HB1      ALA  47   2.959  -6.799  -6.799
  356    H    LYS  48           HN       LYS  48   5.627  -8.054  -8.054
  357    HA   LYS  48           HA       LYS  48   7.602  -7.653  -7.653
  358   1HB   LYS  48           HB2      LYS  48   6.936  -9.584  -9.584
  359   2HB   LYS  48           HB1      LYS  48   8.569  -9.028  -9.028
  360   1HG   LYS  48           HG2      LYS  48   8.725 -10.888 -10.888
  361   2HG   LYS  48           HG1      LYS  48   9.186  -9.410  -9.410
  362   1HD   LYS  48           HD2      LYS  48   7.435  -9.555  -9.555
  363   2HD   LYS  48           HD1      LYS  48   6.307  -9.934  -9.934
  364   1HE   LYS  48           HE2      LYS  48   7.772 -12.251 -12.251
  365   2HE   LYS  48           HE1      LYS  48   7.741 -11.764 -11.764
  366   1HZ   LYS  48           HZ2      LYS  48   5.315 -11.310 -11.310
  367   2HZ   LYS  48           HZ1      LYS  48   5.426 -12.089 -12.089
  368   3HZ   LYS  48           HZ3      LYS  48   5.742 -12.952 -12.952
  369    H    ALA  49           HN       ALA  49   7.216  -6.813  -6.813
  370    HA   ALA  49           HA       ALA  49   9.791  -5.534  -5.534
  371   1HB   ALA  49           HB1      ALA  49   7.178  -5.615  -5.615
  372   2HB   ALA  49           HB3      ALA  49   8.436  -4.489  -4.489
  373   3HB   ALA  49           HB2      ALA  49   8.757  -6.224  -6.224
  374    H    ALA  50           HN       ALA  50   6.811  -4.571  -4.571
  375    HA   ALA  50           HA       ALA  50   7.311  -1.680  -1.680
  376   1HB   ALA  50           HB3      ALA  50   5.052  -2.800  -2.800
  377   2HB   ALA  50           HB2      ALA  50   5.329  -3.237  -3.237
  378   3HB   ALA  50           HB1      ALA  50   5.213  -1.539  -1.539
  379    H    GLY  51           HN       GLY  51   8.136  -4.263  -4.263
  380   1HA   GLY  51           HA2      GLY  51   8.587  -2.488  -2.488
  381   2HA   GLY  51           HA1      GLY  51   8.923  -4.219  -4.219
  382    H    LYS  52           HN       LYS  52  10.403  -3.741  -3.741
  383    HA   LYS  52           HA       LYS  52  13.038  -3.411  -3.411
  384   1HB   LYS  52           HB2      LYS  52  13.733  -3.626  -3.626
  385   2HB   LYS  52           HB1      LYS  52  12.550  -4.855  -4.855
  386   1HG   LYS  52           HG1      LYS  52  11.021  -4.060  -4.060
  387   2HG   LYS  52           HG2      LYS  52  11.300  -2.390  -2.390
  388   1HD   LYS  52           HD2      LYS  52  13.212  -3.925  -3.925
  389   2HD   LYS  52           HD1      LYS  52  11.909  -2.920  -2.920
  390   1HE   LYS  52           HE2      LYS  52  13.210  -1.083  -1.083
  391   2HE   LYS  52           HE1      LYS  52  13.336  -1.412  -1.412
  392   1HZ   LYS  52           HZ3      LYS  52  15.006  -3.155  -3.155
  393   2HZ   LYS  52           HZ2      LYS  52  15.013  -2.529  -2.529
  394   3HZ   LYS  52           HZ1      LYS  52  15.519  -1.562  -1.562
  395    H    LEU  53           HN       LEU  53  10.696  -1.119  -1.119
  396    HA   LEU  53           HA       LEU  53  12.553   0.940   0.940
  397   1HB   LEU  53           HB2      LEU  53   9.711   1.320   1.320
  398   2HB   LEU  53           HB1      LEU  53  10.570   2.246   2.246
  399    HG   LEU  53           HG       LEU  53   9.634  -0.624  -0.624
  400   1HD1  LEU  53          HD21      LEU  53   8.741   2.004   2.004
  401   2HD1  LEU  53          HD23      LEU  53   8.352   0.463   0.463
  402   3HD1  LEU  53          HD22      LEU  53   7.774   0.810   0.810
  403   1HD2  LEU  53          HD12      LEU  53  11.829  -0.190  -0.190
  404   2HD2  LEU  53          HD11      LEU  53  10.543  -0.551  -0.551
  405   3HD2  LEU  53          HD13      LEU  53  11.071   1.115   1.115
  406    H    LYS  54           HN       LYS  54  10.500   0.422   0.422
  407    HA   LYS  54           HA       LYS  54  11.211   2.659   2.659
  408   1HB   LYS  54           HB2      LYS  54   9.469   0.953   0.953
  409   2HB   LYS  54           HB1      LYS  54  10.740  -0.203  -0.203
  410   1HG   LYS  54           HG2      LYS  54  11.395   2.053   2.053
  411   2HG   LYS  54           HG1      LYS  54   9.638   1.961   1.961
  412   1HD   LYS  54           HD2      LYS  54   9.890  -0.481  -0.481
  413   2HD   LYS  54           HD1      LYS  54  11.631  -0.213  -0.213
  414   1HE   LYS  54           HE2      LYS  54   9.840   1.641   1.641
  415   2HE   LYS  54           HE1      LYS  54  10.137   0.017   0.017
  416   1HZ   LYS  54           HZ2      LYS  54  12.295   1.800   1.800
  417   2HZ   LYS  54           HZ1      LYS  54  11.833   1.724   1.724
  418   3HZ   LYS  54           HZ3      LYS  54  12.468   0.349   0.349
  419    H    ALA  55           HN       ALA  55  12.953  -0.415  -0.415
  420    HA   ALA  55           HA       ALA  55  14.933  -0.054  -0.054
  421   1HB   ALA  55           HB3      ALA  55  14.246  -1.980  -1.980
  422   2HB   ALA  55           HB2      ALA  55  15.639  -1.320  -1.320
  423   3HB   ALA  55           HB1      ALA  55  15.826  -1.950  -1.950
  424    H    GLU  56           HN       GLU  56  14.666   1.243   1.243
  425    HA   GLU  56           HA       GLU  56  17.256   2.702   2.702
  426   1HB   GLU  56           HB2      GLU  56  17.355   2.677   2.677
  427   2HB   GLU  56           HB1      GLU  56  17.336   1.059   1.059
  428   1HG   GLU  56           HG2      GLU  56  15.073   0.707   0.707
  429   2HG   GLU  56           HG1      GLU  56  14.778   2.429   2.429
  430    H    GLY  57           HN       GLY  57  14.121   3.293   3.293
  431   1HA   GLY  57           HA1      GLY  57  12.737   5.174   5.174
  432   2HA   GLY  57           HA2      GLY  57  14.242   6.090   6.090
  433    H    SER  58           HN       SER  58  13.220   3.691   3.691
  434    HA   SER  58           HA       SER  58  13.994   5.170   5.170
  435   1HB   SER  58           HB1      SER  58  12.811   2.730   2.730
  436   2HB   SER  58           HB2      SER  58  11.584   3.543   3.543
  437    HG   SER  58           HG       SER  58  13.160   2.349   2.349
  438    H    GLU  59           HN       GLU  59  12.678   6.376   6.376
  439    HA   GLU  59           HA       GLU  59  10.640   8.068   8.068
  440   1HB   GLU  59           HB1      GLU  59  10.967   9.448   9.448
  441   2HB   GLU  59           HB2      GLU  59  12.522   9.019   9.019
  442   1HG   GLU  59           HG2      GLU  59  12.389   8.736   8.736
  443   2HG   GLU  59           HG1      GLU  59  12.881   7.290   7.290
  444    H    ILE  60           HN       ILE  60  10.236   5.154   5.154
  445    HA   ILE  60           HA       ILE  60   7.894   5.760   5.760
  446    HB   ILE  60           HB       ILE  60   9.479   3.184   3.184
  447   1HG1  ILE  60          HG12      ILE  60   9.990   4.384   4.384
  448   2HG1  ILE  60          HG11      ILE  60  10.162   5.683   5.683
  449   1HG2  ILE  60          HG21      ILE  60   7.171   4.121   4.121
  450   2HG2  ILE  60          HG23      ILE  60   8.399   3.220   3.220
  451   3HG2  ILE  60          HG22      ILE  60   7.603   2.487   2.487
  452   1HD1  ILE  60          HD12      ILE  60  11.410   3.013   3.013
  453   2HD1  ILE  60          HD11      ILE  60  12.216   4.118   4.118
  454   3HD1  ILE  60          HD13      ILE  60  11.904   4.614   4.614
  455    H    ARG  61           HN       ARG  61   6.088   4.099   4.099
  456    HA   ARG  61           HA       ARG  61   5.977   2.707   2.707
  457   1HB   ARG  61           HB2      ARG  61   4.763   5.353   5.353
  458   2HB   ARG  61           HB1      ARG  61   3.717   4.199   4.199
  459   1HG   ARG  61           HG1      ARG  61   6.065   3.875   3.875
  460   2HG   ARG  61           HG2      ARG  61   6.128   5.592   5.592
  461   1HD   ARG  61           HD2      ARG  61   4.289   6.096   6.096
  462   2HD   ARG  61           HD1      ARG  61   3.532   4.514   4.514
  463    HE   ARG  61           HE       ARG  61   5.554   3.647   3.647
  464   1HH1  ARG  61          HH21      ARG  61   6.954   5.624   5.624
  465   2HH1  ARG  61          HH22      ARG  61   6.010   6.258   6.258
  466   1HH2  ARG  61          HH11      ARG  61   3.028   4.916   4.916
  467   2HH2  ARG  61          HH12      ARG  61   3.787   5.857   5.857
  468    H    LEU  62           HN       LEU  62   4.316   1.139   1.139
  469    HA   LEU  62           HA       LEU  62   2.842   0.805   0.805
  470   1HB   LEU  62           HB2      LEU  62   3.996  -1.056  -1.056
  471   2HB   LEU  62           HB1      LEU  62   2.772  -1.624  -1.624
  472    HG   LEU  62           HG       LEU  62   4.698  -0.154  -0.154
  473   1HD1  LEU  62          HD22      LEU  62   6.114  -0.685  -0.685
  474   2HD1  LEU  62          HD21      LEU  62   5.993  -2.374  -2.374
  475   3HD1  LEU  62          HD23      LEU  62   6.768  -1.200  -1.200
  476   1HD2  LEU  62          HD12      LEU  62   3.179  -2.272  -2.272
  477   2HD2  LEU  62          HD11      LEU  62   4.701  -2.074  -2.074
  478   3HD2  LEU  62          HD13      LEU  62   4.614  -3.151  -3.151
  479    H    ALA  63           HN       ALA  63   0.583   0.226   0.226
  480    HA   ALA  63           HA       ALA  63  -0.670   0.142   0.142
  481   1HB   ALA  63           HB3      ALA  63  -0.310   2.537   2.537
  482   2HB   ALA  63           HB2      ALA  63  -1.951   2.087   2.087
  483   3HB   ALA  63           HB1      ALA  63  -1.529   2.244   2.244
  484    H    LYS  64           HN       LYS  64  -3.111  -0.196  -0.196
  485    HA   LYS  64           HA       LYS  64  -3.825  -1.543  -1.543
  486   1HB   LYS  64           HB2      LYS  64  -4.267  -2.616  -2.616
  487   2HB   LYS  64           HB1      LYS  64  -4.694  -3.428  -3.428
  488   1HG   LYS  64           HG2      LYS  64  -2.013  -2.805  -2.805
  489   2HG   LYS  64           HG1      LYS  64  -2.099  -3.263  -3.263
  490   1HD   LYS  64           HD2      LYS  64  -3.473  -4.950  -4.950
  491   2HD   LYS  64           HD1      LYS  64  -1.739  -5.128  -5.128
  492   1HE   LYS  64           HE1      LYS  64  -2.220  -5.464  -5.464
  493   2HE   LYS  64           HE2      LYS  64  -3.948  -5.481  -5.481
  494   1HZ   LYS  64           HZ2      LYS  64  -1.883  -7.227  -7.227
  495   2HZ   LYS  64           HZ1      LYS  64  -2.970  -7.724  -7.724
  496   3HZ   LYS  64           HZ3      LYS  64  -3.550  -7.268  -7.268
  497    H    VAL  65           HN       VAL  65  -6.241  -1.949  -1.949
  498    HA   VAL  65           HA       VAL  65  -7.806   0.003   0.003
  499    HB   VAL  65           HB       VAL  65  -7.751  -0.305  -0.305
  500   1HG1  VAL  65          HG11      VAL  65  -9.772   0.827   0.827
  501   2HG1  VAL  65          HG13      VAL  65  -9.332   1.862   1.862
  502   3HG1  VAL  65          HG12      VAL  65  -9.962   0.241   0.241
  503   1HG2  VAL  65          HG21      VAL  65  -5.942   1.060   1.060
  504   2HG2  VAL  65          HG23      VAL  65  -6.911   1.939   1.939
  505   3HG2  VAL  65          HG22      VAL  65  -7.224   2.143   2.143
  506    H    ASP  66           HN       ASP  66  -9.878  -0.728  -0.728
  507    HA   ASP  66           HA       ASP  66 -10.509  -3.535  -3.535
  508   1HB   ASP  66           HB2      ASP  66 -11.292  -1.471  -1.471
  509   2HB   ASP  66           HB1      ASP  66 -12.540  -2.643  -2.643
  510    H    ALA  67           HN       ALA  67 -11.086  -3.292  -3.292
  511    HA   ALA  67           HA       ALA  67 -12.731  -1.409  -1.409
  512   1HB   ALA  67           HB2      ALA  67 -11.500  -3.602  -3.602
  513   2HB   ALA  67           HB1      ALA  67 -13.085  -4.338  -4.338
  514   3HB   ALA  67           HB3      ALA  67 -12.893  -3.004  -3.004
  515    H    THR  68           HN       THR  68 -13.692  -4.008  -4.008
  516    HA   THR  68           HA       THR  68 -16.553  -3.747  -3.747
  517    HB   THR  68           HB       THR  68 -15.503  -5.849  -5.849
  518    HG1  THR  68           HG1      THR  68 -17.184  -4.708  -4.708
  519   1HG2  THR  68          HG22      THR  68 -14.630  -4.105  -4.105
  520   2HG2  THR  68          HG21      THR  68 -14.859  -5.832  -5.832
  521   3HG2  THR  68          HG23      THR  68 -13.692  -5.271  -5.271
  522    H    GLU  69           HN       GLU  69 -14.233  -2.204  -2.204
  523    HA   GLU  69           HA       GLU  69 -16.419  -0.974  -0.974
  524   1HB   GLU  69           HB1      GLU  69 -14.215  -2.235  -2.235
  525   2HB   GLU  69           HB2      GLU  69 -13.494  -0.647  -0.647
  526   1HG   GLU  69           HG2      GLU  69 -15.870  -1.287  -1.287
  527   2HG   GLU  69           HG1      GLU  69 -14.265  -0.782  -0.782
  528    H    GLU  70           HN       GLU  70 -13.383  -0.089  -0.089
  529    HA   GLU  70           HA       GLU  70 -14.455   2.701   2.701
  530   1HB   GLU  70           HB2      GLU  70 -11.640   1.569   1.569
  531   2HB   GLU  70           HB1      GLU  70 -12.048   3.279   3.279
  532   1HG   GLU  70           HG1      GLU  70 -12.071   3.456   3.456
  533   2HG   GLU  70           HG2      GLU  70 -13.348   2.244   2.244
  534    H    SER  71           HN       SER  71 -15.590   1.080   1.080
  535    HA   SER  71           HA       SER  71 -14.022   0.704   0.704
  536   1HB   SER  71           HB2      SER  71 -16.479  -0.088  -0.088
  537   2HB   SER  71           HB1      SER  71 -16.920   0.926   0.926
  538    HG   SER  71           HG       SER  71 -15.389  -1.438  -1.438
  539    H    ASP  72           HN       ASP  72 -15.747   3.385   3.385
  540    HA   ASP  72           HA       ASP  72 -16.551   4.891   4.891
  541   1HB   ASP  72           HB2      ASP  72 -15.621   5.391   5.391
  542   2HB   ASP  72           HB1      ASP  72 -15.638   6.790   6.790
  543    H    LEU  73           HN       LEU  73 -13.301   4.625   4.625
  544    HA   LEU  73           HA       LEU  73 -12.091   6.559   6.559
  545   1HB   LEU  73           HB2      LEU  73 -10.892   4.317   4.317
  546   2HB   LEU  73           HB1      LEU  73 -10.021   5.712   5.712
  547    HG   LEU  73           HG       LEU  73 -12.375   6.554   6.554
  548   1HD1  LEU  73          HD13      LEU  73 -11.484   4.250   4.250
  549   2HD1  LEU  73          HD12      LEU  73 -10.354   5.370   5.370
  550   3HD1  LEU  73          HD11      LEU  73 -12.091   5.581   5.581
  551   1HD2  LEU  73          HD23      LEU  73  -9.477   7.122   7.122
  552   2HD2  LEU  73          HD22      LEU  73 -10.840   8.239   8.239
  553   3HD2  LEU  73          HD21      LEU  73 -10.204   7.492   7.492
  554    H    ALA  74           HN       ALA  74 -12.136   2.996   2.996
  555    HA   ALA  74           HA       ALA  74 -10.570   2.616   2.616
  556   1HB   ALA  74           HB3      ALA  74 -11.505   1.083   1.083
  557   2HB   ALA  74           HB2      ALA  74 -12.603   0.597   0.597
  558   3HB   ALA  74           HB1      ALA  74 -10.861   0.411   0.411
  559    H    GLN  75           HN       GLN  75 -13.977   3.195   3.195
  560    HA   GLN  75           HA       GLN  75 -14.963   2.358   2.358
  561   1HB   GLN  75           HB2      GLN  75 -16.261   2.680   2.680
  562   2HB   GLN  75           HB1      GLN  75 -16.074   4.422   4.422
  563   1HG   GLN  75           HG1      GLN  75 -17.442   4.467   4.467
  564   2HG   GLN  75           HG2      GLN  75 -17.177   2.761   2.761
  565   1HE2  GLN  75          HE22      GLN  75 -20.591   3.133   3.133
  566   2HE2  GLN  75          HE21      GLN  75 -19.825   3.760   3.760
  567    H    GLN  76           HN       GLN  76 -13.516   5.307   5.307
  568    HA   GLN  76           HA       GLN  76 -14.318   7.141   7.141
  569   1HB   GLN  76           HB1      GLN  76 -11.961   6.843   6.843
  570   2HB   GLN  76           HB2      GLN  76 -12.041   8.190   8.190
  571   1HG   GLN  76           HG1      GLN  76 -14.534   8.327   8.327
  572   2HG   GLN  76           HG2      GLN  76 -13.681   7.647   7.647
  573   1HE2  GLN  76          HE22      GLN  76 -13.432  11.432  11.432
  574   2HE2  GLN  76          HE21      GLN  76 -14.753  10.375  10.375
  575    H    TYR  77           HN       TYR  77 -11.709   4.751   4.751
  576    HA   TYR  77           HA       TYR  77 -10.660   5.595   5.595
  577   1HB   TYR  77           HB2      TYR  77  -9.927   3.389   3.389
  578   2HB   TYR  77           HB1      TYR  77  -8.985   3.837   3.837
  579    HD1  TYR  77           HD2      TYR  77  -8.498   6.474   6.474
  580    HD2  TYR  77           HD1      TYR  77  -9.315   4.336   4.336
  581    HE1  TYR  77           HE2      TYR  77  -7.386   8.266   8.266
  582    HE2  TYR  77           HE1      TYR  77  -8.204   6.128   6.128
  583    HH   TYR  77           HH       TYR  77  -6.924   7.983   7.983
  584    H    GLY  78           HN       GLY  78 -11.972   2.601   2.601
  585   1HA   GLY  78           HA1      GLY  78 -13.863   1.601   1.601
  586   2HA   GLY  78           HA2      GLY  78 -12.684   1.700   1.700
  587    H    VAL  79           HN       VAL  79 -12.980   0.397   0.397
  588    HA   VAL  79           HA       VAL  79 -11.228  -1.879  -1.879
  589    HB   VAL  79           HB       VAL  79 -11.859  -0.765  -0.765
  590   1HG1  VAL  79          HG11      VAL  79 -10.112  -2.971  -2.971
  591   2HG1  VAL  79          HG13      VAL  79  -9.622  -2.091  -2.091
  592   3HG1  VAL  79          HG12      VAL  79 -11.157  -2.958  -2.958
  593   1HG2  VAL  79          HG23      VAL  79 -10.589   0.791   0.791
  594   2HG2  VAL  79          HG22      VAL  79  -9.676   0.287   0.287
  595   3HG2  VAL  79          HG21      VAL  79  -9.345  -0.449  -0.449
  596    H    ARG  80           HN       ARG  80 -12.527  -3.606  -3.606
  597    HA   ARG  80           HA       ARG  80 -14.714  -4.318  -4.318
  598   1HB   ARG  80           HB2      ARG  80 -16.081  -4.933  -4.933
  599   2HB   ARG  80           HB1      ARG  80 -15.601  -3.239  -3.239
  600   1HG   ARG  80           HG2      ARG  80 -13.630  -3.991  -3.991
  601   2HG   ARG  80           HG1      ARG  80 -14.397  -5.577  -5.577
  602   1HD   ARG  80           HD2      ARG  80 -15.801  -3.011  -3.011
  603   2HD   ARG  80           HD1      ARG  80 -14.973  -4.090  -4.090
  604    HE   ARG  80           HE       ARG  80 -17.084  -5.175  -5.175
  605   1HH1  ARG  80          HH21      ARG  80 -15.691  -6.887  -6.887
  606   2HH1  ARG  80          HH22      ARG  80 -16.830  -6.882  -6.882
  607   1HH2  ARG  80          HH11      ARG  80 -18.598  -4.154  -4.154
  608   2HH2  ARG  80          HH12      ARG  80 -18.477  -5.335  -5.335
  609    H    GLY  81           HN       GLY  81 -11.849  -5.257  -5.257
  610   1HA   GLY  81           HA2      GLY  81 -12.470  -8.130  -8.130
  611   2HA   GLY  81           HA1      GLY  81 -11.472  -7.618  -7.618
  612    H    TYR  82           HN       TYR  82 -11.465  -8.454  -8.454
  613    HA   TYR  82           HA       TYR  82  -8.907  -7.136  -7.136
  614   1HB   TYR  82           HB2      TYR  82 -10.434  -9.280  -9.280
  615   2HB   TYR  82           HB1      TYR  82  -9.265  -8.140  -8.140
  616    HD1  TYR  82           HD1      TYR  82 -10.103  -5.635  -5.635
  617    HD2  TYR  82           HD2      TYR  82 -12.447  -8.721  -8.721
  618    HE1  TYR  82           HE1      TYR  82 -11.919  -4.002  -4.002
  619    HE2  TYR  82           HE2      TYR  82 -14.265  -7.087  -7.087
  620    HH   TYR  82           HH       TYR  82 -13.823  -3.659  -3.659
  621    HA   PRO  83           HA       PRO  83  -7.428  -7.561  -7.561
  622   1HB   PRO  83           HB1      PRO  83  -4.709  -7.809  -7.809
  623   2HB   PRO  83           HB2      PRO  83  -5.793  -8.813  -8.813
  624   1HG   PRO  83           HG1      PRO  83  -4.207  -9.518  -9.518
  625   2HG   PRO  83           HG2      PRO  83  -4.875 -10.559 -10.559
  626   1HD   PRO  83           HD1      PRO  83  -5.895 -10.099 -10.099
  627   2HD   PRO  83           HD2      PRO  83  -6.578 -11.130 -11.130
  628    H    THR  84           HN       THR  84  -6.726  -5.414  -5.414
  629    HA   THR  84           HA       THR  84  -5.588  -4.984  -4.984
  630    HB   THR  84           HB       THR  84  -7.290  -2.990  -2.990
  631    HG1  THR  84           HG1      THR  84  -8.137  -5.313  -5.313
  632   1HG2  THR  84          HG22      THR  84  -6.127  -2.467  -2.467
  633   2HG2  THR  84          HG21      THR  84  -7.105  -3.720  -3.720
  634   3HG2  THR  84          HG23      THR  84  -7.881  -2.296  -2.296
  635    H    ILE  85           HN       ILE  85  -3.418  -4.602  -4.602
  636    HA   ILE  85           HA       ILE  85  -2.770  -2.803  -2.803
  637    HB   ILE  85           HB       ILE  85  -1.099  -4.523  -4.523
  638   1HG1  ILE  85          HG11      ILE  85  -0.896  -5.528  -5.528
  639   2HG1  ILE  85          HG12      ILE  85  -2.574  -4.996  -4.996
  640   1HG2  ILE  85          HG21      ILE  85  -0.403  -2.804  -2.804
  641   2HG2  ILE  85          HG23      ILE  85   0.613  -4.157  -4.157
  642   3HG2  ILE  85          HG22      ILE  85   0.343  -2.808  -2.808
  643   1HD1  ILE  85          HD11      ILE  85  -1.250  -6.790  -6.790
  644   2HD1  ILE  85          HD13      ILE  85  -2.334  -7.339  -7.339
  645   3HD1  ILE  85          HD12      ILE  85  -2.940  -6.287  -6.287
  646    H    LYS  86           HN       LYS  86  -2.033  -0.733  -0.733
  647    HA   LYS  86           HA       LYS  86  -1.175   0.080   0.080
  648   1HB   LYS  86           HB1      LYS  86  -3.113   1.582   1.582
  649   2HB   LYS  86           HB2      LYS  86  -2.631   2.037   2.037
  650   1HG   LYS  86           HG1      LYS  86  -3.678   0.040   0.040
  651   2HG   LYS  86           HG2      LYS  86  -4.053  -0.548  -0.548
  652   1HD   LYS  86           HD2      LYS  86  -6.033   0.519   0.519
  653   2HD   LYS  86           HD1      LYS  86  -5.128   2.024   2.024
  654   1HE   LYS  86           HE1      LYS  86  -6.298   2.321   2.321
  655   2HE   LYS  86           HE2      LYS  86  -4.707   1.754   1.754
  656   1HZ   LYS  86           HZ3      LYS  86  -5.555  -0.517  -0.517
  657   2HZ   LYS  86           HZ2      LYS  86  -7.081   0.036   0.036
  658   3HZ   LYS  86           HZ1      LYS  86  -6.490   0.445   0.445
  659    H    PHE  87           HN       PHE  87  -0.090   2.305   2.305
  660    HA   PHE  87           HA       PHE  87   1.291   2.646   2.646
  661   1HB   PHE  87           HB2      PHE  87   2.748   1.610   1.610
  662   2HB   PHE  87           HB1      PHE  87   2.343   2.860   2.860
  663    HD1  PHE  87           HD1      PHE  87   3.019   3.269   3.269
  664    HD2  PHE  87           HD2      PHE  87   4.426   3.956   3.956
  665    HE1  PHE  87           HE1      PHE  87   4.849   4.690   4.690
  666    HE2  PHE  87           HE2      PHE  87   6.255   5.374   5.374
  667    HZ   PHE  87           HZ       PHE  87   6.464   5.755   5.755
  668    H    PHE  88           HN       PHE  88   1.203   4.714   4.714
  669    HA   PHE  88           HA       PHE  88   0.242   6.879   6.879
  670   1HB   PHE  88           HB1      PHE  88  -0.352   6.084   6.084
  671   2HB   PHE  88           HB2      PHE  88  -0.574   7.759   7.759
  672    HD1  PHE  88           HD1      PHE  88  -1.471   4.253   4.253
  673    HD2  PHE  88           HD2      PHE  88  -2.498   8.414   8.414
  674    HE1  PHE  88           HE1      PHE  88  -3.630   3.652   3.652
  675    HE2  PHE  88           HE2      PHE  88  -4.655   7.815   7.815
  676    HZ   PHE  88           HZ       PHE  88  -5.211   5.422   5.422
  677    H    ARG  89           HN       ARG  89   1.082   9.032   9.032
  678    HA   ARG  89           HA       ARG  89   3.798   8.978   8.978
  679   1HB   ARG  89           HB2      ARG  89   2.657   9.995   9.995
  680   2HB   ARG  89           HB1      ARG  89   3.376  11.317  11.317
  681   1HG   ARG  89           HG2      ARG  89   5.480  10.045  10.045
  682   2HG   ARG  89           HG1      ARG  89   4.761   8.711   8.711
  683   1HD   ARG  89           HD2      ARG  89   5.237   9.724   9.724
  684   2HD   ARG  89           HD1      ARG  89   4.429  11.214  11.214
  685    HE   ARG  89           HE       ARG  89   7.207  10.556  10.556
  686   1HH1  ARG  89          HH21      ARG  89   6.286  12.955  12.955
  687   2HH1  ARG  89          HH22      ARG  89   6.669  14.213  14.213
  688   1HH2  ARG  89          HH11      ARG  89   7.080  12.052  12.052
  689   2HH2  ARG  89          HH12      ARG  89   7.119  13.701  13.701
  690    H    ASN  90           HN       ASN  90   4.321  11.425  11.425
  691    HA   ASN  90           HA       ASN  90   2.670  12.065  12.065
  692   1HB   ASN  90           HB1      ASN  90   4.245  14.005  14.005
  693   2HB   ASN  90           HB2      ASN  90   5.074  12.466  12.466
  694   1HD2  ASN  90          HD22      ASN  90   6.654  14.591  14.591
  695   2HD2  ASN  90          HD21      ASN  90   6.720  14.306  14.306
  696    H    GLY  91           HN       GLY  91   0.761  12.133  12.133
  697   1HA   GLY  91           HA2      GLY  91   0.077  14.998  14.998
  698   2HA   GLY  91           HA1      GLY  91   0.121  14.105  14.105
  699    H    ASP  92           HN       ASP  92  -1.569  12.678  12.678
  700    HA   ASP  92           HA       ASP  92  -3.491  11.821  11.821
  701   1HB   ASP  92           HB2      ASP  92  -4.658  13.648  13.648
  702   2HB   ASP  92           HB1      ASP  92  -3.790  14.384  14.384
  703    H    THR  93           HN       THR  93  -2.865  12.402  12.402
  704    HA   THR  93           HA       THR  93  -3.334   9.650   9.650
  705    HB   THR  93           HB       THR  93  -5.640  10.134  10.134
  706    HG1  THR  93           HG1      THR  93  -6.529  10.018  10.018
  707   1HG2  THR  93          HG22      THR  93  -5.019  12.741  12.741
  708   2HG2  THR  93          HG21      THR  93  -6.677  12.140  12.140
  709   3HG2  THR  93          HG23      THR  93  -5.845  12.452  12.452
  710    H    ALA  94           HN       ALA  94  -4.654  11.570  11.570
  711    HA   ALA  94           HA       ALA  94  -3.737  12.311  12.311
  712   1HB   ALA  94           HB1      ALA  94  -1.960  13.214  13.214
  713   2HB   ALA  94           HB3      ALA  94  -1.320  13.357  13.357
  714   3HB   ALA  94           HB2      ALA  94  -2.825  14.167  14.167
  715    H    SER  95           HN       SER  95  -3.448  10.305  10.305
  716    HA   SER  95           HA       SER  95  -2.247   8.493   8.493
  717   1HB   SER  95           HB2      SER  95  -0.715  10.922  10.922
  718   2HB   SER  95           HB1      SER  95   0.385   9.562   9.562
  719    HG   SER  95           HG       SER  95  -1.051  10.311  10.311
  720    HA   PRO  96           HA       PRO  96  -0.782   7.136   7.136
  721   1HB   PRO  96           HB1      PRO  96  -2.483   5.006   5.006
  722   2HB   PRO  96           HB2      PRO  96  -2.908   6.645   6.645
  723   1HG   PRO  96           HG2      PRO  96  -3.683   5.177   5.177
  724   2HG   PRO  96           HG1      PRO  96  -4.633   6.290   6.290
  725   1HD   PRO  96           HD2      PRO  96  -3.464   6.981   6.981
  726   2HD   PRO  96           HD1      PRO  96  -3.844   8.134   8.134
  727    H    LYS  97           HN       LYS  97   0.369   5.073   5.073
  728    HA   LYS  97           HA       LYS  97   1.286   3.772   3.772
  729   1HB   LYS  97           HB2      LYS  97   2.334   4.334   4.334
  730   2HB   LYS  97           HB1      LYS  97   2.897   2.842   2.842
  731   1HG   LYS  97           HG2      LYS  97   4.312   4.019   4.019
  732   2HG   LYS  97           HG1      LYS  97   2.952   4.909   4.909
  733   1HD   LYS  97           HD2      LYS  97   4.049   5.645   5.645
  734   2HD   LYS  97           HD1      LYS  97   4.810   6.252   6.252
  735   1HE   LYS  97           HE2      LYS  97   3.107   7.713   7.713
  736   2HE   LYS  97           HE1      LYS  97   1.868   6.514   6.514
  737   1HZ   LYS  97           HZ1      LYS  97   2.564   6.783   6.783
  738   2HZ   LYS  97           HZ3      LYS  97   3.565   8.068   8.068
  739   3HZ   LYS  97           HZ2      LYS  97   1.880   8.190   8.190
  740    H    GLU  98           HN       GLU  98   1.752   1.338   1.338
  741    HA   GLU  98           HA       GLU  98  -0.306  -0.001  -0.001
  742   1HB   GLU  98           HB2      GLU  98  -0.994   0.379   0.379
  743   2HB   GLU  98           HB1      GLU  98   0.344  -0.667  -0.667
  744   1HG   GLU  98           HG1      GLU  98  -0.749  -2.553  -2.553
  745   2HG   GLU  98           HG2      GLU  98  -1.364  -1.809  -1.809
  746    H    TYR  99           HN       TYR  99   0.317  -2.069  -2.069
  747    HA   TYR  99           HA       TYR  99   3.217  -2.654  -2.654
  748   1HB   TYR  99           HB2      TYR  99   1.765  -2.604  -2.604
  749   2HB   TYR  99           HB1      TYR  99   1.007  -4.081  -4.081
  750    HD1  TYR  99           HD1      TYR  99   4.547  -2.819  -2.819
  751    HD2  TYR  99           HD2      TYR  99   1.805  -5.948  -5.948
  752    HE1  TYR  99           HE1      TYR  99   6.426  -4.154  -4.154
  753    HE2  TYR  99           HE2      TYR  99   3.686  -7.282  -7.282
  754    HH   TYR  99           HH       TYR  99   5.871  -7.125  -7.125
  755    H    THR 100           HN       THR 100   4.060  -4.490  -4.490
  756    HA   THR 100           HA       THR 100   2.130  -6.114  -6.114
  757    HB   THR 100           HB       THR 100   4.388  -6.584  -6.584
  758    HG1  THR 100           HG1      THR 100   6.018  -5.629  -5.629
  759   1HG2  THR 100          HG22      THR 100   2.472  -4.437  -4.437
  760   2HG2  THR 100          HG21      THR 100   4.059  -3.841  -3.841
  761   3HG2  THR 100          HG23      THR 100   3.338  -5.216  -5.216
  762    H    ALA 101           HN       ALA 101   4.917  -6.306  -6.306
  763    HA   ALA 101           HA       ALA 101   5.092  -9.219  -9.219
  764   1HB   ALA 101           HB2      ALA 101   6.618  -7.032  -7.032
  765   2HB   ALA 101           HB1      ALA 101   6.232  -7.933  -7.933
  766   3HB   ALA 101           HB3      ALA 101   7.058  -8.734  -8.734
  767    H    GLY 102           HN       GLY 102   5.308  -9.858  -9.858
  768   1HA   GLY 102           HA2      GLY 102   3.669  -9.279  -9.279
  769   2HA   GLY 102           HA1      GLY 102   2.442  -9.749  -9.749
  770    H    ARG 103           HN       ARG 103   5.582 -11.050 -11.050
  771    HA   ARG 103           HA       ARG 103   4.267 -13.743 -13.743
  772   1HB   ARG 103           HB1      ARG 103   6.422 -12.837 -12.837
  773   2HB   ARG 103           HB2      ARG 103   7.176 -13.712 -13.712
  774   1HG   ARG 103           HG2      ARG 103   5.635 -15.633 -15.633
  775   2HG   ARG 103           HG1      ARG 103   5.033 -14.765 -14.765
  776   1HD   ARG 103           HD2      ARG 103   7.771 -14.636 -14.636
  777   2HD   ARG 103           HD1      ARG 103   7.544 -16.257 -16.257
  778    HE   ARG 103           HE       ARG 103   5.523 -15.693 -15.693
  779   1HH1  ARG 103          HH21      ARG 103   6.460 -18.359 -18.359
  780   2HH1  ARG 103          HH22      ARG 103   7.625 -18.423 -18.423
  781   1HH2  ARG 103          HH11      ARG 103   8.053 -14.985 -14.985
  782   2HH2  ARG 103          HH12      ARG 103   8.527 -16.512 -16.512
  783    H    GLU 104           HN       GLU 104   6.465 -11.433 -11.433
  784    HA   GLU 104           HA       GLU 104   5.931 -12.466 -12.466
  785   1HB   GLU 104           HB2      GLU 104   8.276 -13.265 -13.265
  786   2HB   GLU 104           HB1      GLU 104   7.417 -14.224 -14.224
  787   1HG   GLU 104           HG2      GLU 104   8.485 -12.930 -12.930
  788   2HG   GLU 104           HG1      GLU 104   9.330 -11.949 -11.949
  789    H    ALA 105           HN       ALA 105   7.301 -11.242 -11.242
  790    HA   ALA 105           HA       ALA 105   7.281  -8.475  -8.475
  791   1HB   ALA 105           HB3      ALA 105   7.916 -10.255 -10.255
  792   2HB   ALA 105           HB2      ALA 105   9.516  -9.608  -9.608
  793   3HB   ALA 105           HB1      ALA 105   8.219  -8.522  -8.522
  794    H    ASP 106           HN       ASP 106   9.686 -10.747 -10.747
  795    HA   ASP 106           HA       ASP 106  11.835  -8.888  -8.888
  796   1HB   ASP 106           HB1      ASP 106  11.523 -11.128 -11.128
  797   2HB   ASP 106           HB2      ASP 106  11.381 -11.600 -11.600
  798    H    ASP 107           HN       ASP 107   9.107  -9.958  -9.958
  799    HA   ASP 107           HA       ASP 107   9.875  -8.568  -8.568
  800   1HB   ASP 107           HB1      ASP 107   7.555  -9.976  -9.976
  801   2HB   ASP 107           HB2      ASP 107   7.115  -8.714  -8.714
  802    H    ILE 108           HN       ILE 108   8.285  -7.575  -7.575
  803    HA   ILE 108           HA       ILE 108   7.158  -5.096  -5.096
  804    HB   ILE 108           HB       ILE 108   8.027  -5.971  -5.971
  805   1HG1  ILE 108          HG12      ILE 108   6.477  -7.574  -7.574
  806   2HG1  ILE 108          HG11      ILE 108   5.712  -6.753  -6.753
  807   1HG2  ILE 108          HG22      ILE 108   6.446  -3.679  -3.679
  808   2HG2  ILE 108          HG21      ILE 108   5.907  -4.406  -4.406
  809   3HG2  ILE 108          HG23      ILE 108   7.534  -3.739  -3.739
  810   1HD1  ILE 108          HD11      ILE 108   5.287  -5.123  -5.123
  811   2HD1  ILE 108          HD13      ILE 108   4.905  -6.777  -6.777
  812   3HD1  ILE 108          HD12      ILE 108   4.085  -6.045  -6.045
  813    H    VAL 109           HN       VAL 109  10.130  -5.860  -5.860
  814    HA   VAL 109           HA       VAL 109  11.161  -3.217  -3.217
  815    HB   VAL 109           HB       VAL 109  12.554  -5.908  -5.908
  816   1HG1  VAL 109          HG23      VAL 109  13.913  -3.705  -3.705
  817   2HG1  VAL 109          HG22      VAL 109  13.623  -3.469  -3.469
  818   3HG1  VAL 109          HG21      VAL 109  14.499  -4.894  -4.894
  819   1HG2  VAL 109          HG13      VAL 109  11.160  -4.429  -4.429
  820   2HG2  VAL 109          HG12      VAL 109  11.274  -6.166  -6.166
  821   3HG2  VAL 109          HG11      VAL 109  12.635  -5.297  -5.297
  822    H    ASN 110           HN       ASN 110  11.418  -5.658  -5.658
  823    HA   ASN 110           HA       ASN 110  13.401  -4.497  -4.497
  824   1HB   ASN 110           HB1      ASN 110  11.105  -6.322  -6.322
  825   2HB   ASN 110           HB2      ASN 110  11.550  -5.523  -5.523
  826   1HD2  ASN 110          HD22      ASN 110  14.475  -7.799  -7.799
  827   2HD2  ASN 110          HD21      ASN 110  13.407  -6.907  -6.907
  828    H    TRP 111           HN       TRP 111   9.873  -4.046  -4.046
  829    HA   TRP 111           HA       TRP 111   9.941  -1.995  -1.995
  830   1HB   TRP 111           HB2      TRP 111   8.091  -3.290  -3.290
  831   2HB   TRP 111           HB1      TRP 111   7.820  -1.555  -1.555
  832    HD1  TRP 111           HD1      TRP 111   7.751  -4.412  -4.412
  833    HE1  TRP 111           HE1      TRP 111   6.452  -3.640  -3.640
  834    HE3  TRP 111           HE3      TRP 111   7.103   0.524   0.524
  835    HZ2  TRP 111           HZ2      TRP 111   5.292  -1.246  -1.246
  836    HZ3  TRP 111           HZ3      TRP 111   5.898   2.026   2.026
  837    HH2  TRP 111           HH2      TRP 111   4.993   1.149   1.149
  838    H    LEU 112           HN       LEU 112  10.234  -1.798  -1.798
  839    HA   LEU 112           HA       LEU 112  10.166   1.093   1.093
  840   1HB   LEU 112           HB1      LEU 112  11.168  -1.126  -1.126
  841   2HB   LEU 112           HB2      LEU 112  11.139   0.567   0.567
  842    HG   LEU 112           HG       LEU 112   8.716  -0.995  -0.995
  843   1HD1  LEU 112          HD13      LEU 112   9.890  -0.455  -0.455
  844   2HD1  LEU 112          HD12      LEU 112   8.135  -0.514  -0.514
  845   3HD1  LEU 112          HD11      LEU 112   9.111  -1.917  -1.917
  846   1HD2  LEU 112          HD23      LEU 112   9.265   1.821   1.821
  847   2HD2  LEU 112          HD22      LEU 112   7.808   1.056   1.056
  848   3HD2  LEU 112          HD21      LEU 112   8.003   1.274   1.274
  849    H    LYS 113           HN       LYS 113  12.816  -1.316  -1.316
  850    HA   LYS 113           HA       LYS 113  14.897   0.710   0.710
  851   1HB   LYS 113           HB2      LYS 113  15.107  -1.472  -1.472
  852   2HB   LYS 113           HB1      LYS 113  14.781  -2.284  -2.284
  853   1HG   LYS 113           HG2      LYS 113  16.942  -0.355  -0.355
  854   2HG   LYS 113           HG1      LYS 113  17.275  -1.621  -1.621
  855   1HD   LYS 113           HD2      LYS 113  16.058  -2.670  -2.670
  856   2HD   LYS 113           HD1      LYS 113  17.585  -1.846  -1.846
  857   1HE   LYS 113           HE2      LYS 113  18.244  -4.074  -4.074
  858   2HE   LYS 113           HE1      LYS 113  18.486  -3.223  -3.223
  859   1HZ   LYS 113           HZ3      LYS 113  15.993  -4.640  -4.640
  860   2HZ   LYS 113           HZ2      LYS 113  17.169  -5.267  -5.267
  861   3HZ   LYS 113           HZ1      LYS 113  16.290  -3.879  -3.879
  862    H    LYS 114           HN       LYS 114  12.817  -0.256  -0.256
  863    HA   LYS 114           HA       LYS 114  14.636  -0.631  -0.631
  864   1HB   LYS 114           HB2      LYS 114  12.013  -1.029  -1.029
  865   2HB   LYS 114           HB1      LYS 114  11.914   0.528   0.528
  866   1HG   LYS 114           HG2      LYS 114  11.815  -1.010  -1.010
  867   2HG   LYS 114           HG1      LYS 114  13.518  -0.553  -0.553
  868   1HD   LYS 114           HD2      LYS 114  13.635  -2.600  -2.600
  869   2HD   LYS 114           HD1      LYS 114  12.231  -3.125  -3.125
  870   1HE   LYS 114           HE2      LYS 114  13.535  -3.722  -3.722
  871   2HE   LYS 114           HE1      LYS 114  14.355  -2.148  -2.148
  872   1HZ   LYS 114           HZ3      LYS 114  15.579  -2.924  -2.924
  873   2HZ   LYS 114           HZ2      LYS 114  14.925  -4.473  -4.473
  874   3HZ   LYS 114           HZ1      LYS 114  15.958  -3.791  -3.791
  875    H    ARG 115           HN       ARG 115  12.518   2.172   2.172
  876    HA   ARG 115           HA       ARG 115  13.835   3.936   3.936
  877   1HB   ARG 115           HB2      ARG 115  11.811   4.050   4.050
  878   2HB   ARG 115           HB1      ARG 115  12.580   5.578   5.578
  879   1HG   ARG 115           HG2      ARG 115  10.764   5.504   5.504
  880   2HG   ARG 115           HG1      ARG 115  12.076   4.848   4.848
  881   1HD   ARG 115           HD2      ARG 115  11.242   2.546   2.546
  882   2HD   ARG 115           HD1      ARG 115   9.714   3.445   3.445
  883    HE   ARG 115           HE       ARG 115  11.276   3.299   3.299
  884   1HH1  ARG 115          HH11      ARG 115   8.682   4.892   4.892
  885   2HH1  ARG 115          HH12      ARG 115   7.532   3.818   3.818
  886   1HH2  ARG 115          HH21      ARG 115   9.671   1.087   1.087
  887   2HH2  ARG 115          HH22      ARG 115   8.092   1.663   1.663
  888    H    THR 116           HN       THR 116  14.688   2.879   2.879
  889    HA   THR 116           HA       THR 116  16.781   5.026   5.026
  890    HB   THR 116           HB       THR 116  16.443   4.832   4.832
  891    HG1  THR 116           HG1      THR 116  14.355   3.896   3.896
  892   1HG2  THR 116          HG22      THR 116  14.511   5.914   5.914
  893   2HG2  THR 116          HG21      THR 116  13.938   5.816   5.816
  894   3HG2  THR 116          HG23      THR 116  15.391   6.740   6.740
  895    H    GLY 117           HN       GLY 117  17.257   2.523   2.523
  896   1HA   GLY 117           HA1      GLY 117  18.579   0.841   0.841
  897   2HA   GLY 117           HA2      GLY 117  18.363   0.415   0.415
  898    HA   PRO 118           HA       PRO 118  22.613   2.272   2.272
  899   1HB   PRO 118           HB2      PRO 118  24.123  -0.010  -0.010
  900   2HB   PRO 118           HB1      PRO 118  23.471   0.654   0.654
  901   1HG   PRO 118           HG2      PRO 118  22.528  -1.645  -1.645
  902   2HG   PRO 118           HG1      PRO 118  22.484  -1.401  -1.401
  903   1HD   PRO 118           HD2      PRO 118  20.323  -1.097  -1.097
  904   2HD   PRO 118           HD1      PRO 118  20.458  -0.386  -0.386
  905    H    ALA 119           HN       ALA 119  23.147  -0.729  -0.729
  906    HA   ALA 119           HA       ALA 119  23.954   0.798   0.798
  907   1HB   ALA 119           HB3      ALA 119  24.828  -1.453  -1.453
  908   2HB   ALA 119           HB2      ALA 119  23.685  -2.177  -2.177
  909   3HB   ALA 119           HB1      ALA 119  25.011  -1.181  -1.181
  910    H    ALA 120           HN       ALA 120  22.739   1.007   1.007
  911    HA   ALA 120           HA       ALA 120  20.817   0.954   0.954
  912   1HB   ALA 120           HB1      ALA 120  20.993  -1.844  -1.844
  913   2HB   ALA 120           HB3      ALA 120  19.883  -1.410  -1.410
  914   3HB   ALA 120           HB2      ALA 120  21.624  -1.279  -1.279

  Start of MODEL   18
    1   1H    ASP   1           HT2      ASP   1  -6.759  13.107  13.107
    2   2H    ASP   1           HT1      ASP   1  -5.786  13.637  13.637
    3   3H    ASP   1           HT3      ASP   1  -7.344  14.275  14.275
    4    HA   ASP   1           HA       ASP   1  -8.387  12.339  12.339
    5   1HB   ASP   1           HB1      ASP   1  -6.679  13.745  13.745
    6   2HB   ASP   1           HB2      ASP   1  -5.916  12.161  12.161
    7    H    ALA   2           HN       ALA   2  -4.965  11.745  11.745
    8    HA   ALA   2           HA       ALA   2  -3.849   9.763   9.763
    9   1HB   ALA   2           HB2      ALA   2  -5.575  10.134  10.134
   10   2HB   ALA   2           HB1      ALA   2  -6.657   9.057   9.057
   11   3HB   ALA   2           HB3      ALA   2  -5.147   8.437   8.437
   12    HA   PRO   3           HA       PRO   3  -5.205   7.406   7.406
   13   1HB   PRO   3           HB1      PRO   3  -2.686   6.697   6.697
   14   2HB   PRO   3           HB2      PRO   3  -3.427   8.254   8.254
   15   1HG   PRO   3           HG2      PRO   3  -1.407   7.604   7.604
   16   2HG   PRO   3           HG1      PRO   3  -1.561   9.048   9.048
   17   1HD   PRO   3           HD1      PRO   3  -2.338   8.903   8.903
   18   2HD   PRO   3           HD2      PRO   3  -2.981  10.066  10.066
   19    H    GLU   4           HN       GLU   4  -4.625   5.030   5.030
   20    HA   GLU   4           HA       GLU   4  -3.913   3.517   3.517
   21   1HB   GLU   4           HB1      GLU   4  -6.385   3.710   3.710
   22   2HB   GLU   4           HB2      GLU   4  -5.837   2.497   2.497
   23   1HG   GLU   4           HG2      GLU   4  -6.516   2.172   2.172
   24   2HG   GLU   4           HG1      GLU   4  -6.207   0.934   0.934
   25    H    GLU   5           HN       GLU   5  -2.802   1.508   1.508
   26    HA   GLU   5           HA       GLU   5  -1.655   1.183   1.183
   27   1HB   GLU   5           HB2      GLU   5  -0.497   1.043   1.043
   28   2HB   GLU   5           HB1      GLU   5   0.290   0.198   0.198
   29   1HG   GLU   5           HG1      GLU   5  -0.251   2.704   2.704
   30   2HG   GLU   5           HG2      GLU   5   0.211   3.064   3.064
   31    H    GLU   6           HN       GLU   6  -0.955  -1.126  -1.126
   32    HA   GLU   6           HA       GLU   6  -2.579  -3.117  -3.117
   33   1HB   GLU   6           HB1      GLU   6  -2.636  -2.285  -2.285
   34   2HB   GLU   6           HB2      GLU   6  -2.736  -4.019  -4.019
   35   1HG   GLU   6           HG2      GLU   6  -4.497  -1.954  -1.954
   36   2HG   GLU   6           HG1      GLU   6  -4.980  -2.894  -2.894
   37    H    ASP   7           HN       ASP   7  -1.187  -4.655  -4.655
   38    HA   ASP   7           HA       ASP   7   0.651  -6.128  -6.128
   39   1HB   ASP   7           HB2      ASP   7  -0.235  -5.951  -5.951
   40   2HB   ASP   7           HB1      ASP   7   1.320  -6.732  -6.732
   41    H    HIS   8           HN       HIS   8   1.805  -4.795  -4.795
   42    HA   HIS   8           HA       HIS   8   3.867  -3.205  -3.205
   43   1HB   HIS   8           HB2      HIS   8   4.234  -5.748  -5.748
   44   2HB   HIS   8           HB1      HIS   8   4.886  -4.665  -4.665
   45    HD1  HIS   8           HD1      HIS   8   6.945  -3.215  -3.215
   46    HD2  HIS   8           HD2      HIS   8   5.656  -5.739  -5.739
   47    HE1  HIS   8           HE1      HIS   8   8.773  -3.209  -3.209
   48    H    VAL   9           HN       VAL   9   1.420  -2.852  -2.852
   49    HA   VAL   9           HA       VAL   9   2.858  -0.953  -0.953
   50    HB   VAL   9           HB       VAL   9   0.460  -2.686  -2.686
   51   1HG1  VAL   9          HG11      VAL   9   2.063  -0.602  -0.602
   52   2HG1  VAL   9          HG13      VAL   9   1.630  -2.018  -2.018
   53   3HG1  VAL   9          HG12      VAL   9   0.368  -1.039  -1.039
   54   1HG2  VAL   9          HG21      VAL   9   3.402  -3.078  -3.078
   55   2HG2  VAL   9          HG23      VAL   9   2.402  -4.124  -4.124
   56   3HG2  VAL   9          HG22      VAL   9   2.089  -4.007  -4.007
   57    H    LEU  10           HN       LEU  10   1.179   0.683   0.683
   58    HA   LEU  10           HA       LEU  10  -0.410   1.697   1.697
   59   1HB   LEU  10           HB1      LEU  10   1.204   2.803   2.803
   60   2HB   LEU  10           HB2      LEU  10  -0.408   3.143   3.143
   61    HG   LEU  10           HG       LEU  10  -0.627   3.708   3.708
   62   1HD1  LEU  10          HD11      LEU  10   2.056   3.593   3.593
   63   2HD1  LEU  10          HD13      LEU  10   1.760   5.275   5.275
   64   3HD1  LEU  10          HD12      LEU  10   1.290   4.688   4.688
   65   1HD2  LEU  10          HD21      LEU  10  -0.558   5.150   5.150
   66   2HD2  LEU  10          HD23      LEU  10  -1.677   5.316   5.316
   67   3HD2  LEU  10          HD22      LEU  10  -0.125   6.153   6.153
   68    H    VAL  11           HN       VAL  11  -2.582   2.760   2.760
   69    HA   VAL  11           HA       VAL  11  -4.058   0.936   0.936
   70    HB   VAL  11           HB       VAL  11  -4.945   2.087   2.087
   71   1HG1  VAL  11          HG12      VAL  11  -6.299   0.428   0.428
   72   2HG1  VAL  11          HG11      VAL  11  -6.793   0.292   0.292
   73   3HG1  VAL  11          HG13      VAL  11  -6.913   1.843   1.843
   74   1HG2  VAL  11          HG21      VAL  11  -3.208   0.238   0.238
   75   2HG2  VAL  11          HG23      VAL  11  -4.730  -0.152  -0.152
   76   3HG2  VAL  11          HG22      VAL  11  -4.389  -0.798  -0.798
   77    H    LEU  12           HN       LEU  12  -5.960   1.986   1.986
   78    HA   LEU  12           HA       LEU  12  -5.742   4.979   4.979
   79   1HB   LEU  12           HB2      LEU  12  -5.766   2.920   2.920
   80   2HB   LEU  12           HB1      LEU  12  -6.737   4.352   4.352
   81    HG   LEU  12           HG       LEU  12  -4.467   4.682   4.682
   82   1HD1  LEU  12          HD12      LEU  12  -5.825   6.460   6.460
   83   2HD1  LEU  12          HD11      LEU  12  -4.349   6.324   6.324
   84   3HD1  LEU  12          HD13      LEU  12  -4.262   6.823   6.823
   85   1HD2  LEU  12          HD23      LEU  12  -3.581   3.051   3.051
   86   2HD2  LEU  12          HD22      LEU  12  -2.541   4.337   4.337
   87   3HD2  LEU  12          HD21      LEU  12  -3.380   4.542   4.542
   88    H    ARG  13           HN       ARG  13  -7.812   6.036   6.036
   89    HA   ARG  13           HA       ARG  13 -10.276   4.442   4.442
   90   1HB   ARG  13           HB1      ARG  13  -8.991   6.173   6.173
   91   2HB   ARG  13           HB2      ARG  13 -10.594   6.791   6.791
   92   1HG   ARG  13           HG2      ARG  13 -11.237   4.208   4.208
   93   2HG   ARG  13           HG1      ARG  13  -9.820   4.212   4.212
   94   1HD   ARG  13           HD2      ARG  13 -11.319   6.542   6.542
   95   2HD   ARG  13           HD1      ARG  13 -12.460   5.185   5.185
   96    HE   ARG  13           HE       ARG  13  -9.874   4.954   4.954
   97   1HH1  ARG  13          HH21      ARG  13 -11.121   2.519   2.519
   98   2HH1  ARG  13          HH22      ARG  13 -12.279   2.726   2.726
   99   1HH2  ARG  13          HH11      ARG  13 -12.308   6.186   6.186
  100   2HH2  ARG  13          HH12      ARG  13 -12.952   4.802   4.802
  101    H    LYS  14           HN       LYS  14 -12.008   6.664   6.664
  102    HA   LYS  14           HA       LYS  14 -11.900   7.676   7.676
  103   1HB   LYS  14           HB1      LYS  14 -13.858   6.638   6.638
  104   2HB   LYS  14           HB2      LYS  14 -14.054   8.317   8.317
  105   1HG   LYS  14           HG2      LYS  14 -13.744   7.785   7.785
  106   2HG   LYS  14           HG1      LYS  14 -15.277   7.330   7.330
  107   1HD   LYS  14           HD1      LYS  14 -15.376   9.656   9.656
  108   2HD   LYS  14           HD2      LYS  14 -13.978  10.068  10.068
  109   1HE   LYS  14           HE2      LYS  14 -15.658   8.896   8.896
  110   2HE   LYS  14           HE1      LYS  14 -16.798   9.752   9.752
  111   1HZ   LYS  14           HZ2      LYS  14 -14.318  10.930  10.930
  112   2HZ   LYS  14           HZ1      LYS  14 -15.887  11.209  11.209
  113   3HZ   LYS  14           HZ3      LYS  14 -15.463  11.737  11.737
  114    H    SER  15           HN       SER  15 -11.735   8.877   8.877
  115    HA   SER  15           HA       SER  15 -11.654  11.689  11.689
  116   1HB   SER  15           HB2      SER  15 -12.066  10.284  10.284
  117   2HB   SER  15           HB1      SER  15 -11.741  12.015  12.015
  118    HG   SER  15           HG       SER  15 -13.975  11.571  11.571
  119    H    ASN  16           HN       ASN  16  -9.370   9.440   9.440
  120    HA   ASN  16           HA       ASN  16  -7.325  11.390  11.390
  121   1HB   ASN  16           HB1      ASN  16  -6.310   9.760   9.760
  122   2HB   ASN  16           HB2      ASN  16  -8.020   9.880   9.880
  123   1HD2  ASN  16          HD22      ASN  16  -7.096   6.250   6.250
  124   2HD2  ASN  16          HD21      ASN  16  -6.537   7.535   7.535
  125    H    PHE  17           HN       PHE  17  -8.283   9.785   9.785
  126    HA   PHE  17           HA       PHE  17  -6.163   8.064   8.064
  127   1HB   PHE  17           HB2      PHE  17  -8.415   8.437   8.437
  128   2HB   PHE  17           HB1      PHE  17  -7.781   9.948   9.948
  129    HD1  PHE  17           HD2      PHE  17  -5.431   9.735   9.735
  130    HD2  PHE  17           HD1      PHE  17  -8.175   6.483   6.483
  131    HE1  PHE  17           HE2      PHE  17  -4.371   8.494   8.494
  132    HE2  PHE  17           HE1      PHE  17  -7.120   5.248   5.248
  133    HZ   PHE  17           HZ       PHE  17  -5.193   6.215   6.215
  134    H    ALA  18           HN       ALA  18  -6.626  11.398  11.398
  135    HA   ALA  18           HA       ALA  18  -3.971  11.716  11.716
  136   1HB   ALA  18           HB1      ALA  18  -6.215  13.050  13.050
  137   2HB   ALA  18           HB3      ALA  18  -5.639  13.984  13.984
  138   3HB   ALA  18           HB2      ALA  18  -4.681  13.915  13.915
  139    H    GLU  19           HN       GLU  19  -5.254  11.908  11.908
  140    HA   GLU  19           HA       GLU  19  -3.294  13.627  13.627
  141   1HB   GLU  19           HB2      GLU  19  -5.516  12.861  12.861
  142   2HB   GLU  19           HB1      GLU  19  -4.796  11.278  11.278
  143   1HG   GLU  19           HG2      GLU  19  -3.678  11.989  11.989
  144   2HG   GLU  19           HG1      GLU  19  -3.169  13.483  13.483
  145    H    ALA  20           HN       ALA  20  -3.541  10.053  10.053
  146    HA   ALA  20           HA       ALA  20  -1.055   9.485   9.485
  147   1HB   ALA  20           HB1      ALA  20  -3.178   8.144   8.144
  148   2HB   ALA  20           HB3      ALA  20  -1.697   7.602   7.602
  149   3HB   ALA  20           HB2      ALA  20  -1.888   7.414   7.414
  150    H    LEU  21           HN       LEU  21  -1.794  10.153  10.153
  151    HA   LEU  21           HA       LEU  21   0.758   9.497   9.497
  152   1HB   LEU  21           HB2      LEU  21  -1.384  11.502  11.502
  153   2HB   LEU  21           HB1      LEU  21  -0.009  11.114  11.114
  154    HG   LEU  21           HG       LEU  21  -1.955   9.040   9.040
  155   1HD1  LEU  21          HD12      LEU  21  -2.137  10.901  10.901
  156   2HD1  LEU  21          HD11      LEU  21  -2.301   9.208   9.208
  157   3HD1  LEU  21          HD13      LEU  21  -3.390   9.898   9.898
  158   1HD2  LEU  21          HD22      LEU  21   0.349   8.283   8.283
  159   2HD2  LEU  21          HD21      LEU  21  -0.925   7.592   7.592
  160   3HD2  LEU  21          HD23      LEU  21   0.055   8.921   8.921
  161    H    ALA  22           HN       ALA  22  -0.504  12.530  12.530
  162    HA   ALA  22           HA       ALA  22   1.769  14.171  14.171
  163   1HB   ALA  22           HB2      ALA  22  -0.666  14.162  14.162
  164   2HB   ALA  22           HB1      ALA  22   0.656  15.051  15.051
  165   3HB   ALA  22           HB3      ALA  22   0.101  15.502  15.502
  166    H    ALA  23           HN       ALA  23   1.196  11.683  11.683
  167    HA   ALA  23           HA       ALA  23   3.097  12.407  12.407
  168   1HB   ALA  23           HB3      ALA  23   1.278  10.467  10.467
  169   2HB   ALA  23           HB2      ALA  23   2.711   9.553   9.553
  170   3HB   ALA  23           HB1      ALA  23   2.622  10.285  10.285
  171    H    HIS  24           HN       HIS  24   3.547  10.026  10.026
  172    HA   HIS  24           HA       HIS  24   6.461  10.760  10.760
  173   1HB   HIS  24           HB2      HIS  24   5.084   8.078   8.078
  174   2HB   HIS  24           HB1      HIS  24   6.818   8.339   8.339
  175    HD1  HIS  24           HD1      HIS  24   4.184   7.820   7.820
  176    HD2  HIS  24           HD2      HIS  24   8.131   9.162   9.162
  177    HE1  HIS  24           HE1      HIS  24   4.984   7.778   7.778
  178    H    LYS  25           HN       LYS  25   7.482  10.734  10.734
  179    HA   LYS  25           HA       LYS  25   6.035  11.700  11.700
  180   1HB   LYS  25           HB2      LYS  25   8.681  10.496  10.496
  181   2HB   LYS  25           HB1      LYS  25   8.183  10.432  10.432
  182   1HG   LYS  25           HG2      LYS  25   9.183  12.526  12.526
  183   2HG   LYS  25           HG1      LYS  25   7.521  12.964  12.964
  184   1HD   LYS  25           HD2      LYS  25   8.420  13.956  13.956
  185   2HD   LYS  25           HD1      LYS  25   8.550  12.317  12.317
  186   1HE   LYS  25           HE2      LYS  25  10.817  12.345  12.345
  187   2HE   LYS  25           HE1      LYS  25  10.772  13.005  13.005
  188   1HZ   LYS  25           HZ2      LYS  25  10.096  14.622  14.622
  189   2HZ   LYS  25           HZ1      LYS  25  11.674  14.543  14.543
  190   3HZ   LYS  25           HZ3      LYS  25  10.418  15.170  15.170
  191    H    TYR  26           HN       TYR  26   7.628   8.545   8.545
  192    HA   TYR  26           HA       TYR  26   5.552   7.558   7.558
  193   1HB   TYR  26           HB2      TYR  26   7.783   6.067   6.067
  194   2HB   TYR  26           HB1      TYR  26   6.975   5.586   5.586
  195    HD1  TYR  26           HD2      TYR  26   6.827   8.168   8.168
  196    HD2  TYR  26           HD1      TYR  26  10.013   6.451   6.451
  197    HE1  TYR  26           HE2      TYR  26   8.478   9.480   9.480
  198    HE2  TYR  26           HE1      TYR  26  11.667   7.762   7.762
  199    HH   TYR  26           HH       TYR  26  10.734  10.313  10.313
  200    H    LEU  27           HN       LEU  27   3.753   6.361   6.361
  201    HA   LEU  27           HA       LEU  27   3.704   5.044   5.044
  202   1HB   LEU  27           HB1      LEU  27   2.739   7.515   7.515
  203   2HB   LEU  27           HB2      LEU  27   1.348   6.653   6.653
  204    HG   LEU  27           HG       LEU  27   1.562   5.146   5.146
  205   1HD1  LEU  27          HD12      LEU  27   3.843   6.244   6.244
  206   2HD1  LEU  27          HD11      LEU  27   2.900   7.606   7.606
  207   3HD1  LEU  27          HD13      LEU  27   2.729   6.014   6.014
  208   1HD2  LEU  27          HD22      LEU  27  -0.132   7.051   7.051
  209   2HD2  LEU  27          HD21      LEU  27   0.003   6.497   6.497
  210   3HD2  LEU  27          HD23      LEU  27   0.798   7.988   7.988
  211    H    LEU  28           HN       LEU  28   2.645   3.081   3.081
  212    HA   LEU  28           HA       LEU  28   1.244   2.448   2.448
  213   1HB   LEU  28           HB2      LEU  28   3.317   1.182   1.182
  214   2HB   LEU  28           HB1      LEU  28   2.195   0.483   0.483
  215    HG   LEU  28           HG       LEU  28   0.725  -0.125  -0.125
  216   1HD1  LEU  28          HD12      LEU  28   2.221   1.474   1.474
  217   2HD1  LEU  28          HD11      LEU  28   3.268   0.058   0.058
  218   3HD1  LEU  28          HD13      LEU  28   1.602  -0.021  -0.021
  219   1HD2  LEU  28          HD23      LEU  28   2.321  -1.642  -1.642
  220   2HD2  LEU  28          HD22      LEU  28   1.835  -2.203  -2.203
  221   3HD2  LEU  28          HD21      LEU  28   3.425  -1.476  -1.476
  222    H    VAL  29           HN       VAL  29  -0.740   1.204   1.204
  223    HA   VAL  29           HA       VAL  29  -2.063   0.877   0.877
  224    HB   VAL  29           HB       VAL  29  -2.390   3.248   3.248
  225   1HG1  VAL  29          HG13      VAL  29  -2.511   2.384   2.384
  226   2HG1  VAL  29          HG12      VAL  29  -3.895   3.404   3.404
  227   3HG1  VAL  29          HG11      VAL  29  -2.257   4.004   4.004
  228   1HG2  VAL  29          HG21      VAL  29  -4.843   1.650   1.650
  229   2HG2  VAL  29          HG23      VAL  29  -4.361   2.099   2.099
  230   3HG2  VAL  29          HG22      VAL  29  -4.872   3.343   3.343
  231    H    GLU  30           HN       GLU  30  -3.168  -1.010  -1.010
  232    HA   GLU  30           HA       GLU  30  -4.082  -1.806  -1.806
  233   1HB   GLU  30           HB2      GLU  30  -2.427  -3.288  -3.288
  234   2HB   GLU  30           HB1      GLU  30  -3.189  -3.300  -3.300
  235   1HG   GLU  30           HG2      GLU  30  -5.158  -4.464  -4.464
  236   2HG   GLU  30           HG1      GLU  30  -4.350  -4.486  -4.486
  237    H    PHE  31           HN       PHE  31  -6.198  -2.754  -2.754
  238    HA   PHE  31           HA       PHE  31  -8.041  -2.136  -2.136
  239   1HB   PHE  31           HB1      PHE  31  -8.459  -2.134  -2.134
  240   2HB   PHE  31           HB2      PHE  31  -9.671  -1.708  -1.708
  241    HD1  PHE  31           HD2      PHE  31  -6.256  -0.784  -0.784
  242    HD2  PHE  31           HD1      PHE  31  -9.826   0.499   0.499
  243    HE1  PHE  31           HE2      PHE  31  -5.399   1.542   1.542
  244    HE2  PHE  31           HE1      PHE  31  -8.969   2.825   2.825
  245    HZ   PHE  31           HZ       PHE  31  -6.754   3.344   3.344
  246    H    TYR  32           HN       TYR  32  -8.442  -4.151  -4.151
  247    HA   TYR  32           HA       TYR  32  -9.395  -6.296  -6.296
  248   1HB   TYR  32           HB1      TYR  32  -8.117  -7.924  -7.924
  249   2HB   TYR  32           HB2      TYR  32  -7.048  -6.678  -6.678
  250    HD1  TYR  32           HD1      TYR  32  -8.914  -7.787  -7.787
  251    HD2  TYR  32           HD2      TYR  32  -5.836  -5.234  -5.234
  252    HE1  TYR  32           HE1      TYR  32  -8.196  -7.229  -7.229
  253    HE2  TYR  32           HE2      TYR  32  -5.118  -4.680  -4.680
  254    HH   TYR  32           HH       TYR  32  -5.254  -5.688  -5.688
  255    H    ALA  33           HN       ALA  33 -10.246  -8.181  -8.181
  256    HA   ALA  33           HA       ALA  33 -11.928  -6.926  -6.926
  257   1HB   ALA  33           HB1      ALA  33 -13.013  -7.336  -7.336
  258   2HB   ALA  33           HB3      ALA  33 -12.874  -9.053  -9.053
  259   3HB   ALA  33           HB2      ALA  33 -13.852  -8.005  -8.005
  260    HA   PRO  34           HA       PRO  34 -10.700 -10.384 -10.384
  261   1HB   PRO  34           HB1      PRO  34 -12.981 -10.938 -10.938
  262   2HB   PRO  34           HB2      PRO  34 -11.946  -9.535  -9.535
  263   1HG   PRO  34           HG2      PRO  34 -14.493  -9.693  -9.693
  264   2HG   PRO  34           HG1      PRO  34 -13.957  -8.463  -8.463
  265   1HD   PRO  34           HD1      PRO  34 -13.828  -8.092  -8.092
  266   2HD   PRO  34           HD2      PRO  34 -12.650  -7.378  -7.378
  267    H    TRP  35           HN       TRP  35 -13.403 -10.639 -10.639
  268    HA   TRP  35           HA       TRP  35 -13.494 -13.600 -13.600
  269   1HB   TRP  35           HB2      TRP  35 -15.481 -13.339 -13.339
  270   2HB   TRP  35           HB1      TRP  35 -15.574 -12.258 -12.258
  271    HD1  TRP  35           HD1      TRP  35 -15.533  -9.695  -9.695
  272    HE1  TRP  35           HE1      TRP  35 -15.594  -8.248  -8.248
  273    HE3  TRP  35           HE3      TRP  35 -14.663 -13.285 -13.285
  274    HZ2  TRP  35           HZ2      TRP  35 -15.311  -8.572  -8.572
  275    HZ3  TRP  35           HZ3      TRP  35 -14.565 -12.690 -12.690
  276    HH2  TRP  35           HH2      TRP  35 -14.888 -10.340 -10.340
  277    H    CYS  36           HN       CYS  36 -11.807 -11.260 -11.260
  278    HA   CYS  36           HA       CYS  36 -11.758 -12.172 -12.172
  279   1HB   CYS  36           HB1      CYS  36 -10.555 -10.224 -10.224
  280   2HB   CYS  36           HB2      CYS  36  -9.389 -11.360 -11.360
  281    H    GLY  37           HN       GLY  37 -10.071 -13.589 -13.589
  282   1HA   GLY  37           HA2      GLY  37  -9.441 -15.938 -15.938
  283   2HA   GLY  37           HA1      GLY  37  -9.847 -16.079 -16.079
  284    H    HIS  38           HN       HIS  38  -8.212 -13.738 -13.738
  285    HA   HIS  38           HA       HIS  38  -5.538 -15.069 -15.069
  286   1HB   HIS  38           HB2      HIS  38  -6.848 -13.163 -13.163
  287   2HB   HIS  38           HB1      HIS  38  -5.153 -13.639 -13.639
  288    HD1  HIS  38           HD1      HIS  38  -8.519 -15.422 -15.422
  289    HD2  HIS  38           HD2      HIS  38  -4.842 -15.890 -15.890
  290    HE1  HIS  38           HE1      HIS  38  -8.692 -17.538 -17.538
  291    H    CYS  39           HN       CYS  39  -6.993 -12.842 -12.842
  292    HA   CYS  39           HA       CYS  39  -4.986 -10.674 -10.674
  293   1HB   CYS  39           HB2      CYS  39  -7.454 -11.146 -11.146
  294   2HB   CYS  39           HB1      CYS  39  -6.482  -9.677  -9.677
  295    H    LYS  40           HN       LYS  40  -5.474 -13.585 -13.585
  296    HA   LYS  40           HA       LYS  40  -3.782 -12.655 -12.655
  297   1HB   LYS  40           HB2      LYS  40  -4.531 -14.740 -14.740
  298   2HB   LYS  40           HB1      LYS  40  -5.922 -13.903 -13.903
  299   1HG   LYS  40           HG1      LYS  40  -5.109 -15.425 -15.425
  300   2HG   LYS  40           HG2      LYS  40  -4.707 -16.478 -16.478
  301   1HD   LYS  40           HD2      LYS  40  -7.004 -16.911 -16.911
  302   2HD   LYS  40           HD1      LYS  40  -7.018 -16.187 -16.187
  303   1HE   LYS  40           HE2      LYS  40  -7.072 -13.972 -13.972
  304   2HE   LYS  40           HE1      LYS  40  -8.128 -15.140 -15.140
  305   1HZ   LYS  40           HZ2      LYS  40  -9.129 -15.590 -15.590
  306   2HZ   LYS  40           HZ1      LYS  40  -8.273 -14.250 -14.250
  307   3HZ   LYS  40           HZ3      LYS  40  -9.445 -14.035 -14.035
  308    H    ALA  41           HN       ALA  41  -3.356 -14.120 -14.120
  309    HA   ALA  41           HA       ALA  41  -1.457 -16.171 -16.171
  310   1HB   ALA  41           HB1      ALA  41  -2.211 -14.318 -14.318
  311   2HB   ALA  41           HB3      ALA  41  -0.664 -15.150 -15.150
  312   3HB   ALA  41           HB2      ALA  41  -2.153 -16.081 -16.081
  313    H    LEU  42           HN       LEU  42  -1.176 -12.739 -12.739
  314    HA   LEU  42           HA       LEU  42   1.717 -13.094 -13.094
  315   1HB   LEU  42           HB2      LEU  42   2.286 -11.170 -11.170
  316   2HB   LEU  42           HB1      LEU  42   1.340 -12.269 -12.269
  317    HG   LEU  42           HG       LEU  42   0.055  -9.984  -9.984
  318   1HD1  LEU  42          HD13      LEU  42   1.312 -10.016 -10.016
  319   2HD1  LEU  42          HD12      LEU  42   0.144  -8.799  -8.799
  320   3HD1  LEU  42          HD11      LEU  42   1.696  -8.937  -8.937
  321   1HD2  LEU  42          HD23      LEU  42  -0.795 -12.112 -12.112
  322   2HD2  LEU  42          HD22      LEU  42  -1.775 -11.043 -11.043
  323   3HD2  LEU  42          HD21      LEU  42  -1.256 -10.518 -10.518
  324    H    ALA  43           HN       ALA  43  -0.544 -12.873 -12.873
  325    HA   ALA  43           HA       ALA  43  -1.019 -10.235 -10.235
  326   1HB   ALA  43           HB3      ALA  43  -1.721 -12.901 -12.901
  327   2HB   ALA  43           HB2      ALA  43  -0.998 -12.289 -12.289
  328   3HB   ALA  43           HB1      ALA  43  -2.376 -11.455 -11.455
  329    HA   PRO  44           HA       PRO  44   2.613 -10.914 -10.914
  330   1HB   PRO  44           HB1      PRO  44   4.152 -13.158 -13.158
  331   2HB   PRO  44           HB2      PRO  44   2.673 -13.099 -13.099
  332   1HG   PRO  44           HG2      PRO  44   3.162 -14.364 -14.364
  333   2HG   PRO  44           HG1      PRO  44   1.980 -14.771 -14.771
  334   1HD   PRO  44           HD2      PRO  44   1.500 -13.356 -13.356
  335   2HD   PRO  44           HD1      PRO  44   0.380 -13.574 -13.574
  336    H    GLU  45           HN       GLU  45   2.793 -11.471 -11.471
  337    HA   GLU  45           HA       GLU  45   5.687 -10.927 -10.927
  338   1HB   GLU  45           HB2      GLU  45   3.373 -11.291 -11.291
  339   2HB   GLU  45           HB1      GLU  45   5.046 -11.099 -11.099
  340   1HG   GLU  45           HG2      GLU  45   5.234 -13.341 -13.341
  341   2HG   GLU  45           HG1      GLU  45   5.162 -13.092 -13.092
  342    H    TYR  46           HN       TYR  46   2.563  -9.381  -9.381
  343    HA   TYR  46           HA       TYR  46   3.534  -6.925  -6.925
  344   1HB   TYR  46           HB2      TYR  46   1.289  -7.225  -7.225
  345   2HB   TYR  46           HB1      TYR  46   1.066  -8.145  -8.145
  346    HD1  TYR  46           HD2      TYR  46   1.582  -4.623  -4.623
  347    HD2  TYR  46           HD1      TYR  46   0.006  -7.211  -7.211
  348    HE1  TYR  46           HE2      TYR  46   0.508  -2.678  -2.678
  349    HE2  TYR  46           HE1      TYR  46  -1.071  -5.261  -5.261
  350    HH   TYR  46           HH       TYR  46  -1.186  -3.003  -3.003
  351    H    ALA  47           HN       ALA  47   3.352  -8.156  -8.156
  352    HA   ALA  47           HA       ALA  47   3.749  -5.487  -5.487
  353   1HB   ALA  47           HB3      ALA  47   3.243  -8.307  -8.307
  354   2HB   ALA  47           HB2      ALA  47   3.891  -7.143  -7.143
  355   3HB   ALA  47           HB1      ALA  47   2.339  -6.840  -6.840
  356    H    LYS  48           HN       LYS  48   5.658  -8.128  -8.128
  357    HA   LYS  48           HA       LYS  48   7.956  -7.726  -7.726
  358   1HB   LYS  48           HB2      LYS  48   7.091  -9.389  -9.389
  359   2HB   LYS  48           HB1      LYS  48   8.809  -8.997  -8.997
  360   1HG   LYS  48           HG2      LYS  48   9.249 -10.073 -10.073
  361   2HG   LYS  48           HG1      LYS  48   7.588  -9.902  -9.902
  362   1HD   LYS  48           HD2      LYS  48   6.988 -11.464 -11.464
  363   2HD   LYS  48           HD1      LYS  48   8.703 -11.875 -11.875
  364   1HE   LYS  48           HE2      LYS  48   6.984 -12.005 -12.005
  365   2HE   LYS  48           HE1      LYS  48   7.230 -13.397 -13.397
  366   1HZ   LYS  48           HZ2      LYS  48   9.439 -11.771 -11.771
  367   2HZ   LYS  48           HZ1      LYS  48   8.899 -13.232 -13.232
  368   3HZ   LYS  48           HZ3      LYS  48   9.579 -13.221 -13.221
  369    H    ALA  49           HN       ALA  49   6.968  -6.603  -6.603
  370    HA   ALA  49           HA       ALA  49   9.449  -5.377  -5.377
  371   1HB   ALA  49           HB3      ALA  49   7.482  -5.942  -5.942
  372   2HB   ALA  49           HB2      ALA  49   6.610  -4.596  -4.596
  373   3HB   ALA  49           HB1      ALA  49   8.061  -4.290  -4.290
  374    H    ALA  50           HN       ALA  50   6.609  -4.163  -4.163
  375    HA   ALA  50           HA       ALA  50   7.588  -1.438  -1.438
  376   1HB   ALA  50           HB1      ALA  50   5.514  -3.057  -3.057
  377   2HB   ALA  50           HB3      ALA  50   5.708  -1.310  -1.310
  378   3HB   ALA  50           HB2      ALA  50   5.217  -2.022  -2.022
  379    H    GLY  51           HN       GLY  51   8.117  -4.406  -4.406
  380   1HA   GLY  51           HA2      GLY  51   9.081  -3.109  -3.109
  381   2HA   GLY  51           HA1      GLY  51   9.206  -4.829  -4.829
  382    H    LYS  52           HN       LYS  52  10.418  -3.991  -3.991
  383    HA   LYS  52           HA       LYS  52  13.147  -4.384  -4.384
  384   1HB   LYS  52           HB2      LYS  52  11.576  -3.073  -3.073
  385   2HB   LYS  52           HB1      LYS  52  13.339  -3.107  -3.107
  386   1HG   LYS  52           HG2      LYS  52  12.673  -5.708  -5.708
  387   2HG   LYS  52           HG1      LYS  52  11.423  -5.271  -5.271
  388   1HD   LYS  52           HD2      LYS  52  12.888  -5.273  -5.273
  389   2HD   LYS  52           HD1      LYS  52  14.104  -4.391  -4.391
  390   1HE   LYS  52           HE2      LYS  52  14.205  -6.795  -6.795
  391   2HE   LYS  52           HE1      LYS  52  13.786  -7.316  -7.316
  392   1HZ   LYS  52           HZ2      LYS  52  15.544  -5.718  -5.718
  393   2HZ   LYS  52           HZ1      LYS  52  16.056  -5.601  -5.601
  394   3HZ   LYS  52           HZ3      LYS  52  16.125  -7.093  -7.093
  395    H    LEU  53           HN       LEU  53  11.217  -1.493  -1.493
  396    HA   LEU  53           HA       LEU  53  13.569   0.297   0.297
  397   1HB   LEU  53           HB2      LEU  53  10.688   0.982   0.982
  398   2HB   LEU  53           HB1      LEU  53  11.951   2.038   2.038
  399    HG   LEU  53           HG       LEU  53  10.566  -0.208  -0.208
  400   1HD1  LEU  53          HD13      LEU  53   9.946   2.533   2.533
  401   2HD1  LEU  53          HD12      LEU  53  10.586   2.373   2.373
  402   3HD1  LEU  53          HD11      LEU  53   9.203   1.402   1.402
  403   1HD2  LEU  53          HD23      LEU  53  13.115   1.231   1.231
  404   2HD2  LEU  53          HD22      LEU  53  12.593  -0.351  -0.351
  405   3HD2  LEU  53          HD21      LEU  53  12.044   1.112   1.112
  406    H    LYS  54           HN       LYS  54  10.944  -0.982  -0.982
  407    HA   LYS  54           HA       LYS  54  10.700  -1.067  -1.067
  408   1HB   LYS  54           HB2      LYS  54  12.674  -2.540  -2.540
  409   2HB   LYS  54           HB1      LYS  54  13.725  -1.163  -1.163
  410   1HG   LYS  54           HG2      LYS  54  13.358  -1.247  -1.247
  411   2HG   LYS  54           HG1      LYS  54  11.703  -1.828  -1.828
  412   1HD   LYS  54           HD2      LYS  54  12.848  -4.004  -4.004
  413   2HD   LYS  54           HD1      LYS  54  14.272  -3.391  -3.391
  414   1HE   LYS  54           HE2      LYS  54  12.663  -3.091  -3.091
  415   2HE   LYS  54           HE1      LYS  54  11.613  -4.224  -4.224
  416   1HZ   LYS  54           HZ3      LYS  54  13.542  -5.704  -5.704
  417   2HZ   LYS  54           HZ2      LYS  54  14.471  -4.649  -4.649
  418   3HZ   LYS  54           HZ1      LYS  54  13.138  -5.460  -5.460
  419    H    ALA  55           HN       ALA  55  10.426   1.503   1.503
  420    HA   ALA  55           HA       ALA  55  10.562   3.737   3.737
  421   1HB   ALA  55           HB3      ALA  55  10.928   1.959   1.959
  422   2HB   ALA  55           HB2      ALA  55  11.964   3.367   3.367
  423   3HB   ALA  55           HB1      ALA  55  10.227   3.578   3.578
  424    H    GLU  56           HN       GLU  56  12.925   2.274   2.274
  425    HA   GLU  56           HA       GLU  56  15.418   3.209   3.209
  426   1HB   GLU  56           HB2      GLU  56  14.185   2.272   2.272
  427   2HB   GLU  56           HB1      GLU  56  15.577   3.324   3.324
  428   1HG   GLU  56           HG2      GLU  56  16.015   1.368   1.368
  429   2HG   GLU  56           HG1      GLU  56  15.690   0.613   0.613
  430    H    GLY  57           HN       GLY  57  12.869   4.907   4.907
  431   1HA   GLY  57           HA1      GLY  57  12.699   7.355   7.355
  432   2HA   GLY  57           HA2      GLY  57  14.460   7.420   7.420
  433    H    SER  58           HN       SER  58  13.096   5.242   5.242
  434    HA   SER  58           HA       SER  58  14.152   6.685   6.685
  435   1HB   SER  58           HB2      SER  58  13.278   4.837   4.837
  436   2HB   SER  58           HB1      SER  58  13.672   4.176   4.176
  437    HG   SER  58           HG       SER  58  11.421   4.668   4.668
  438    H    GLU  59           HN       GLU  59  12.671   7.294   7.294
  439    HA   GLU  59           HA       GLU  59  10.411   8.938   8.938
  440   1HB   GLU  59           HB1      GLU  59  10.729  10.134  10.134
  441   2HB   GLU  59           HB2      GLU  59  12.224  10.051  10.051
  442   1HG   GLU  59           HG2      GLU  59  13.143   8.390   8.390
  443   2HG   GLU  59           HG1      GLU  59  11.567   7.935   7.935
  444    H    ILE  60           HN       ILE  60  10.408   5.926   5.926
  445    HA   ILE  60           HA       ILE  60   8.185   6.071   6.071
  446    HB   ILE  60           HB       ILE  60  10.064   3.772   3.772
  447   1HG1  ILE  60          HG12      ILE  60  10.656   4.674   4.674
  448   2HG1  ILE  60          HG11      ILE  60  10.388   6.177   6.177
  449   1HG2  ILE  60          HG21      ILE  60   8.003   4.290   4.290
  450   2HG2  ILE  60          HG23      ILE  60   9.233   3.034   3.034
  451   3HG2  ILE  60          HG22      ILE  60   8.043   2.963   2.963
  452   1HD1  ILE  60          HD11      ILE  60  11.880   4.657   4.657
  453   2HD1  ILE  60          HD13      ILE  60  12.592   4.260   4.260
  454   3HD1  ILE  60          HD12      ILE  60  12.512   5.940   5.940
  455    H    ARG  61           HN       ARG  61   6.574   4.239   4.239
  456    HA   ARG  61           HA       ARG  61   6.391   2.909   2.909
  457   1HB   ARG  61           HB2      ARG  61   5.261   5.597   5.597
  458   2HB   ARG  61           HB1      ARG  61   4.145   4.448   4.448
  459   1HG   ARG  61           HG1      ARG  61   6.595   4.046   4.046
  460   2HG   ARG  61           HG2      ARG  61   6.422   5.796   5.796
  461   1HD   ARG  61           HD2      ARG  61   4.565   5.849   5.849
  462   2HD   ARG  61           HD1      ARG  61   3.999   4.254   4.254
  463    HE   ARG  61           HE       ARG  61   6.222   4.702   4.702
  464   1HH1  ARG  61          HH21      ARG  61   6.475   2.168   2.168
  465   2HH1  ARG  61          HH22      ARG  61   5.626   1.032   1.032
  466   1HH2  ARG  61          HH11      ARG  61   4.021   3.468   3.468
  467   2HH2  ARG  61          HH12      ARG  61   4.237   1.769   1.769
  468    H    LEU  62           HN       LEU  62   4.204   1.833   1.833
  469    HA   LEU  62           HA       LEU  62   2.860   1.390   1.390
  470   1HB   LEU  62           HB2      LEU  62   3.745  -0.580  -0.580
  471   2HB   LEU  62           HB1      LEU  62   2.697  -1.016  -1.016
  472    HG   LEU  62           HG       LEU  62   4.570   0.031   0.031
  473   1HD1  LEU  62          HD13      LEU  62   5.700   0.206   0.206
  474   2HD1  LEU  62          HD12      LEU  62   6.725  -0.759  -0.759
  475   3HD1  LEU  62          HD11      LEU  62   6.301   0.893   0.893
  476   1HD2  LEU  62          HD23      LEU  62   3.924  -2.494  -2.494
  477   2HD2  LEU  62          HD22      LEU  62   5.362  -2.111  -2.111
  478   3HD2  LEU  62          HD21      LEU  62   5.509  -2.471  -2.471
  479    H    ALA  63           HN       ALA  63   0.605   0.341   0.341
  480    HA   ALA  63           HA       ALA  63  -0.542   0.800   0.800
  481   1HB   ALA  63           HB2      ALA  63  -0.309   2.937   2.937
  482   2HB   ALA  63           HB1      ALA  63  -1.937   2.368   2.368
  483   3HB   ALA  63           HB3      ALA  63  -1.509   2.807   2.807
  484    H    LYS  64           HN       LYS  64  -3.133   0.615   0.615
  485    HA   LYS  64           HA       LYS  64  -3.835  -1.264  -1.264
  486   1HB   LYS  64           HB1      LYS  64  -4.674  -2.896  -2.896
  487   2HB   LYS  64           HB2      LYS  64  -2.931  -2.780  -2.780
  488   1HG   LYS  64           HG2      LYS  64  -2.662  -1.742  -1.742
  489   2HG   LYS  64           HG1      LYS  64  -4.232  -0.944  -0.944
  490   1HD   LYS  64           HD2      LYS  64  -4.232  -2.698  -2.698
  491   2HD   LYS  64           HD1      LYS  64  -5.358  -3.091  -3.091
  492   1HE   LYS  64           HE1      LYS  64  -3.690  -4.593  -4.593
  493   2HE   LYS  64           HE2      LYS  64  -2.534  -4.185  -4.185
  494   1HZ   LYS  64           HZ2      LYS  64  -5.262  -5.256  -5.256
  495   2HZ   LYS  64           HZ1      LYS  64  -3.864  -6.221  -6.221
  496   3HZ   LYS  64           HZ3      LYS  64  -4.034  -5.016  -5.016
  497    H    VAL  65           HN       VAL  65  -6.146  -1.909  -1.909
  498    HA   VAL  65           HA       VAL  65  -7.866   0.027   0.027
  499    HB   VAL  65           HB       VAL  65  -7.932  -0.509  -0.509
  500   1HG1  VAL  65          HG11      VAL  65 -10.175  -0.185  -0.185
  501   2HG1  VAL  65          HG13      VAL  65  -9.614   1.411   1.411
  502   3HG1  VAL  65          HG12      VAL  65  -9.786   1.036   1.036
  503   1HG2  VAL  65          HG22      VAL  65  -6.098   0.991   0.991
  504   2HG2  VAL  65          HG21      VAL  65  -7.300   1.837   1.837
  505   3HG2  VAL  65          HG23      VAL  65  -7.304   2.019   2.019
  506    H    ASP  66           HN       ASP  66 -10.048  -0.738  -0.738
  507    HA   ASP  66           HA       ASP  66 -10.331  -3.687  -3.687
  508   1HB   ASP  66           HB2      ASP  66 -11.294  -1.628  -1.628
  509   2HB   ASP  66           HB1      ASP  66 -12.327  -3.030  -3.030
  510    H    ALA  67           HN       ALA  67 -11.111  -3.690  -3.690
  511    HA   ALA  67           HA       ALA  67 -12.935  -1.987  -1.987
  512   1HB   ALA  67           HB2      ALA  67 -12.125  -4.831  -4.831
  513   2HB   ALA  67           HB1      ALA  67 -13.649  -4.431  -4.431
  514   3HB   ALA  67           HB3      ALA  67 -12.168  -3.593  -3.593
  515    H    THR  68           HN       THR  68 -13.572  -4.350  -4.350
  516    HA   THR  68           HA       THR  68 -16.508  -4.147  -4.147
  517    HB   THR  68           HB       THR  68 -15.440  -6.315  -6.315
  518    HG1  THR  68           HG1      THR  68 -16.800  -5.386  -5.386
  519   1HG2  THR  68          HG23      THR  68 -14.312  -4.761  -4.761
  520   2HG2  THR  68          HG22      THR  68 -14.522  -6.507  -6.507
  521   3HG2  THR  68          HG21      THR  68 -13.481  -5.834  -5.834
  522    H    GLU  69           HN       GLU  69 -14.633  -1.887  -1.887
  523    HA   GLU  69           HA       GLU  69 -16.285  -1.159  -1.159
  524   1HB   GLU  69           HB1      GLU  69 -13.948  -2.246  -2.246
  525   2HB   GLU  69           HB2      GLU  69 -13.304  -0.703  -0.703
  526   1HG   GLU  69           HG2      GLU  69 -14.495   0.495   0.495
  527   2HG   GLU  69           HG1      GLU  69 -15.382  -0.956  -0.956
  528    H    GLU  70           HN       GLU  70 -13.788  -0.119  -0.119
  529    HA   GLU  70           HA       GLU  70 -14.635   2.697   2.697
  530   1HB   GLU  70           HB1      GLU  70 -12.461   1.048   1.048
  531   2HB   GLU  70           HB2      GLU  70 -12.846   2.521   2.521
  532   1HG   GLU  70           HG1      GLU  70 -11.744   3.745   3.745
  533   2HG   GLU  70           HG2      GLU  70 -12.799   3.120   3.120
  534    H    SER  71           HN       SER  71 -13.942   0.878   0.878
  535    HA   SER  71           HA       SER  71 -15.140   0.663   0.663
  536   1HB   SER  71           HB2      SER  71 -17.580   1.148   1.148
  537   2HB   SER  71           HB1      SER  71 -17.441   0.126   0.126
  538    HG   SER  71           HG       SER  71 -17.409  -1.060  -1.060
  539    H    ASP  72           HN       ASP  72 -14.652   3.483   3.483
  540    HA   ASP  72           HA       ASP  72 -16.603   5.029   5.029
  541   1HB   ASP  72           HB1      ASP  72 -15.139   5.383   5.383
  542   2HB   ASP  72           HB2      ASP  72 -15.271   6.834   6.834
  543    H    LEU  73           HN       LEU  73 -13.217   4.266   4.266
  544    HA   LEU  73           HA       LEU  73 -12.505   6.198   6.198
  545   1HB   LEU  73           HB1      LEU  73 -10.690   4.834   4.834
  546   2HB   LEU  73           HB2      LEU  73 -10.296   6.213   6.213
  547    HG   LEU  73           HG       LEU  73 -12.497   7.160   7.160
  548   1HD1  LEU  73          HD11      LEU  73 -11.782   4.829   4.829
  549   2HD1  LEU  73          HD13      LEU  73 -11.148   6.157   6.157
  550   3HD1  LEU  73          HD12      LEU  73 -12.862   6.104   6.104
  551   1HD2  LEU  73          HD21      LEU  73  -9.714   7.644   7.644
  552   2HD2  LEU  73          HD23      LEU  73 -10.963   8.729   8.729
  553   3HD2  LEU  73          HD22      LEU  73 -10.146   7.620   7.620
  554    H    ALA  74           HN       ALA  74 -12.520   2.840   2.840
  555    HA   ALA  74           HA       ALA  74 -10.652   1.860   1.860
  556   1HB   ALA  74           HB3      ALA  74 -12.517   0.861   0.861
  557   2HB   ALA  74           HB2      ALA  74 -12.380  -0.211  -0.211
  558   3HB   ALA  74           HB1      ALA  74 -10.940   0.230   0.230
  559    H    GLN  75           HN       GLN  75 -14.225   1.551   1.551
  560    HA   GLN  75           HA       GLN  75 -14.547   0.660   0.660
  561   1HB   GLN  75           HB2      GLN  75 -16.175   0.578   0.578
  562   2HB   GLN  75           HB1      GLN  75 -16.486   2.290   2.290
  563   1HG   GLN  75           HG1      GLN  75 -18.172   1.273   1.273
  564   2HG   GLN  75           HG2      GLN  75 -16.911   1.525   1.525
  565   1HE2  GLN  75          HE22      GLN  75 -18.042  -2.243  -2.243
  566   2HE2  GLN  75          HE21      GLN  75 -18.806  -0.884  -0.884
  567    H    GLN  76           HN       GLN  76 -14.003   3.817   3.817
  568    HA   GLN  76           HA       GLN  76 -15.017   5.386   5.386
  569   1HB   GLN  76           HB1      GLN  76 -13.826   5.717   5.717
  570   2HB   GLN  76           HB2      GLN  76 -12.927   6.702   6.702
  571   1HG   GLN  76           HG2      GLN  76 -14.793   7.994   7.994
  572   2HG   GLN  76           HG1      GLN  76 -15.072   7.677   7.677
  573   1HE2  GLN  76          HE22      GLN  76 -18.294   6.718   6.718
  574   2HE2  GLN  76          HE21      GLN  76 -17.440   8.054   8.054
  575    H    TYR  77           HN       TYR  77 -11.798   4.201   4.201
  576    HA   TYR  77           HA       TYR  77 -10.350   5.426   5.426
  577   1HB   TYR  77           HB2      TYR  77  -9.949   3.146   3.146
  578   2HB   TYR  77           HB1      TYR  77  -8.776   3.409   3.409
  579    HD1  TYR  77           HD2      TYR  77  -8.584   6.261   6.261
  580    HD2  TYR  77           HD1      TYR  77  -9.080   3.965   3.965
  581    HE1  TYR  77           HE2      TYR  77  -7.553   8.095   8.095
  582    HE2  TYR  77           HE1      TYR  77  -8.051   5.798   5.798
  583    HH   TYR  77           HH       TYR  77  -6.625   8.614   8.614
  584    H    GLY  78           HN       GLY  78 -11.918   2.251   2.251
  585   1HA   GLY  78           HA1      GLY  78 -12.992   1.440   1.440
  586   2HA   GLY  78           HA2      GLY  78 -11.454   1.831   1.831
  587    H    VAL  79           HN       VAL  79 -11.946   0.324   0.324
  588    HA   VAL  79           HA       VAL  79 -10.002  -1.749  -1.749
  589    HB   VAL  79           HB       VAL  79 -12.112  -1.400  -1.400
  590   1HG1  VAL  79          HG11      VAL  79 -10.016  -3.403  -3.403
  591   2HG1  VAL  79          HG13      VAL  79  -9.964  -2.691  -2.691
  592   3HG1  VAL  79          HG12      VAL  79 -11.431  -3.491  -3.491
  593   1HG2  VAL  79          HG23      VAL  79 -10.462   0.490   0.490
  594   2HG2  VAL  79          HG22      VAL  79 -10.380  -0.288  -0.288
  595   3HG2  VAL  79          HG21      VAL  79  -9.173  -0.660  -0.660
  596    H    ARG  80           HN       ARG  80 -10.422  -3.521  -3.521
  597    HA   ARG  80           HA       ARG  80 -13.169  -4.324  -4.324
  598   1HB   ARG  80           HB2      ARG  80 -10.396  -4.846  -4.846
  599   2HB   ARG  80           HB1      ARG  80 -11.484  -6.224  -6.224
  600   1HG   ARG  80           HG2      ARG  80 -13.120  -4.652  -4.652
  601   2HG   ARG  80           HG1      ARG  80 -11.821  -3.458  -3.458
  602   1HD   ARG  80           HD2      ARG  80 -11.117  -4.429  -4.429
  603   2HD   ARG  80           HD1      ARG  80 -10.669  -5.851  -5.851
  604    HE   ARG  80           HE       ARG  80 -12.865  -6.805  -6.805
  605   1HH1  ARG  80          HH11      ARG  80 -13.476  -3.645  -3.645
  606   2HH1  ARG  80          HH12      ARG  80 -14.149  -3.861  -3.861
  607   1HH2  ARG  80          HH21      ARG  80 -13.166  -7.177  -7.177
  608   2HH2  ARG  80          HH22      ARG  80 -13.974  -5.861  -5.861
  609    H    GLY  81           HN       GLY  81 -10.459  -5.621  -5.621
  610   1HA   GLY  81           HA2      GLY  81 -12.264  -7.137  -7.137
  611   2HA   GLY  81           HA1      GLY  81 -11.386  -8.188  -8.188
  612    H    TYR  82           HN       TYR  82 -11.121  -8.112  -8.112
  613    HA   TYR  82           HA       TYR  82  -8.511  -6.830  -6.830
  614   1HB   TYR  82           HB1      TYR  82 -10.141  -8.643  -8.643
  615   2HB   TYR  82           HB2      TYR  82  -8.993  -7.400  -7.400
  616    HD1  TYR  82           HD1      TYR  82  -9.745  -5.126  -5.126
  617    HD2  TYR  82           HD2      TYR  82 -12.226  -7.957  -7.957
  618    HE1  TYR  82           HE1      TYR  82 -11.587  -3.465  -3.465
  619    HE2  TYR  82           HE2      TYR  82 -14.067  -6.296  -6.296
  620    HH   TYR  82           HH       TYR  82 -13.617  -3.027  -3.027
  621    HA   PRO  83           HA       PRO  83  -7.122  -7.369  -7.369
  622   1HB   PRO  83           HB1      PRO  83  -4.404  -7.605  -7.605
  623   2HB   PRO  83           HB2      PRO  83  -5.424  -8.597  -8.597
  624   1HG   PRO  83           HG1      PRO  83  -4.112  -9.286  -9.286
  625   2HG   PRO  83           HG2      PRO  83  -4.412 -10.295 -10.295
  626   1HD   PRO  83           HD2      PRO  83  -5.901 -10.343 -10.343
  627   2HD   PRO  83           HD1      PRO  83  -6.459 -10.932 -10.932
  628    H    THR  84           HN       THR  84  -6.906  -5.264  -5.264
  629    HA   THR  84           HA       THR  84  -5.734  -4.812  -4.812
  630    HB   THR  84           HB       THR  84  -7.575  -3.060  -3.060
  631    HG1  THR  84           HG1      THR  84  -8.254  -4.801  -4.801
  632   1HG2  THR  84          HG22      THR  84  -6.095  -2.537  -2.537
  633   2HG2  THR  84          HG21      THR  84  -7.721  -2.881  -2.881
  634   3HG2  THR  84          HG23      THR  84  -7.468  -1.602  -1.602
  635    H    ILE  85           HN       ILE  85  -3.530  -4.695  -4.695
  636    HA   ILE  85           HA       ILE  85  -2.854  -2.736  -2.736
  637    HB   ILE  85           HB       ILE  85  -1.147  -4.349  -4.349
  638   1HG1  ILE  85          HG12      ILE  85  -0.936  -5.568  -5.568
  639   2HG1  ILE  85          HG11      ILE  85  -2.611  -5.023  -5.023
  640   1HG2  ILE  85          HG23      ILE  85  -0.494  -3.002  -3.002
  641   2HG2  ILE  85          HG22      ILE  85   0.612  -4.014  -4.014
  642   3HG2  ILE  85          HG21      ILE  85   0.058  -2.477  -2.477
  643   1HD1  ILE  85          HD13      ILE  85  -2.023  -6.124  -6.124
  644   2HD1  ILE  85          HD12      ILE  85  -1.596  -7.289  -7.289
  645   3HD1  ILE  85          HD11      ILE  85  -3.235  -6.644  -6.644
  646    H    LYS  86           HN       LYS  86  -2.218  -0.636  -0.636
  647    HA   LYS  86           HA       LYS  86  -1.522   0.162   0.162
  648   1HB   LYS  86           HB1      LYS  86  -3.327   1.639   1.639
  649   2HB   LYS  86           HB2      LYS  86  -2.950   2.135   2.135
  650   1HG   LYS  86           HG2      LYS  86  -3.833  -0.449  -0.449
  651   2HG   LYS  86           HG1      LYS  86  -4.861   0.112   0.112
  652   1HD   LYS  86           HD2      LYS  86  -5.771   1.855   1.855
  653   2HD   LYS  86           HD1      LYS  86  -4.417   1.862   1.862
  654   1HE   LYS  86           HE2      LYS  86  -5.753  -0.730  -0.730
  655   2HE   LYS  86           HE1      LYS  86  -6.872   0.581   0.581
  656   1HZ   LYS  86           HZ1      LYS  86  -5.187   1.427   1.427
  657   2HZ   LYS  86           HZ3      LYS  86  -4.188   0.105   0.105
  658   3HZ   LYS  86           HZ2      LYS  86  -5.680  -0.145  -0.145
  659    H    PHE  87           HN       PHE  87  -0.466   2.410   2.410
  660    HA   PHE  87           HA       PHE  87   1.080   2.841   2.841
  661   1HB   PHE  87           HB1      PHE  87   2.164   1.602   1.602
  662   2HB   PHE  87           HB2      PHE  87   2.266   3.224   3.224
  663    HD1  PHE  87           HD1      PHE  87   3.013   5.036   5.036
  664    HD2  PHE  87           HD2      PHE  87   4.102   0.888   0.888
  665    HE1  PHE  87           HE1      PHE  87   5.021   5.494   5.494
  666    HE2  PHE  87           HE2      PHE  87   6.111   1.344   1.344
  667    HZ   PHE  87           HZ       PHE  87   6.561   3.648   3.648
  668    H    PHE  88           HN       PHE  88   0.873   4.943   4.943
  669    HA   PHE  88           HA       PHE  88   0.105   7.009   7.009
  670   1HB   PHE  88           HB2      PHE  88  -0.654   6.424   6.424
  671   2HB   PHE  88           HB1      PHE  88  -0.819   8.062   8.062
  672    HD1  PHE  88           HD1      PHE  88  -1.739   4.506   4.506
  673    HD2  PHE  88           HD2      PHE  88  -2.674   8.653   8.653
  674    HE1  PHE  88           HE1      PHE  88  -3.854   3.863   3.863
  675    HE2  PHE  88           HE2      PHE  88  -4.789   8.009   8.009
  676    HZ   PHE  88           HZ       PHE  88  -5.375   5.593   5.593
  677    H    ARG  89           HN       ARG  89   1.305   8.921   8.921
  678    HA   ARG  89           HA       ARG  89   3.943   8.916   8.916
  679   1HB   ARG  89           HB1      ARG  89   2.703  10.067  10.067
  680   2HB   ARG  89           HB2      ARG  89   2.828  11.434  11.434
  681   1HG   ARG  89           HG2      ARG  89   5.185  11.274  11.274
  682   2HG   ARG  89           HG1      ARG  89   5.189   9.631   9.631
  683   1HD   ARG  89           HD2      ARG  89   4.075  10.767  10.767
  684   2HD   ARG  89           HD1      ARG  89   4.845  12.230  12.230
  685    HE   ARG  89           HE       ARG  89   6.795  10.212  10.212
  686   1HH1  ARG  89          HH11      ARG  89   5.337   9.434   9.434
  687   2HH1  ARG  89          HH12      ARG  89   6.296  10.271  10.271
  688   1HH2  ARG  89          HH21      ARG  89   7.849  12.312  12.312
  689   2HH2  ARG  89          HH22      ARG  89   7.718  11.899  11.899
  690    H    ASN  90           HN       ASN  90   4.434  11.374  11.374
  691    HA   ASN  90           HA       ASN  90   3.834  11.515  11.515
  692   1HB   ASN  90           HB2      ASN  90   4.467  13.878  13.878
  693   2HB   ASN  90           HB1      ASN  90   5.460  12.891  12.891
  694   1HD2  ASN  90          HD22      ASN  90   4.468  14.727  14.727
  695   2HD2  ASN  90          HD21      ASN  90   5.648  13.780  13.780
  696    H    GLY  91           HN       GLY  91   1.675  12.422  12.422
  697   1HA   GLY  91           HA1      GLY  91  -0.750  12.275  12.275
  698   2HA   GLY  91           HA2      GLY  91  -0.186  13.699  13.699
  699    H    ASP  92           HN       ASP  92   0.418  12.765  12.765
  700    HA   ASP  92           HA       ASP  92  -1.412  14.812  14.812
  701   1HB   ASP  92           HB2      ASP  92   1.420  15.302  15.302
  702   2HB   ASP  92           HB1      ASP  92   0.989  15.695  15.695
  703    H    THR  93           HN       THR  93  -0.645  11.883  11.883
  704    HA   THR  93           HA       THR  93   0.510  11.716  11.716
  705    HB   THR  93           HB       THR  93   0.909  10.015  10.015
  706    HG1  THR  93           HG1      THR  93   1.008   8.938   8.938
  707   1HG2  THR  93          HG21      THR  93  -1.904  10.343  10.343
  708   2HG2  THR  93          HG23      THR  93  -1.587   8.652   8.652
  709   3HG2  THR  93          HG22      THR  93  -0.753   9.421   9.421
  710    H    ALA  94           HN       ALA  94  -1.024  12.903  12.903
  711    HA   ALA  94           HA       ALA  94  -3.834  12.592  12.592
  712   1HB   ALA  94           HB1      ALA  94  -2.105  14.110  14.110
  713   2HB   ALA  94           HB3      ALA  94  -2.228  12.841  12.841
  714   3HB   ALA  94           HB2      ALA  94  -3.668  13.734  13.734
  715    H    SER  95           HN       SER  95  -1.284  10.543  10.543
  716    HA   SER  95           HA       SER  95  -3.360   8.545   8.545
  717   1HB   SER  95           HB1      SER  95  -1.901   9.864   9.864
  718   2HB   SER  95           HB2      SER  95  -0.620   8.766   8.766
  719    HG   SER  95           HG       SER  95  -3.116   8.148   8.148
  720    HA   PRO  96           HA       PRO  96  -0.820   6.607   6.607
  721   1HB   PRO  96           HB1      PRO  96  -2.734   4.798   4.798
  722   2HB   PRO  96           HB2      PRO  96  -2.681   6.464   6.464
  723   1HG   PRO  96           HG2      PRO  96  -4.365   5.279   5.279
  724   2HG   PRO  96           HG1      PRO  96  -4.802   6.455   6.455
  725   1HD   PRO  96           HD2      PRO  96  -4.278   7.157   7.157
  726   2HD   PRO  96           HD1      PRO  96  -3.969   8.230   8.230
  727    H    LYS  97           HN       LYS  97   0.373   4.680   4.680
  728    HA   LYS  97           HA       LYS  97  -0.013   3.084   3.084
  729   1HB   LYS  97           HB2      LYS  97   2.192   3.422   3.422
  730   2HB   LYS  97           HB1      LYS  97   2.293   2.271   2.271
  731   1HG   LYS  97           HG2      LYS  97   1.450   4.810   4.810
  732   2HG   LYS  97           HG1      LYS  97   2.893   5.050   5.050
  733   1HD   LYS  97           HD2      LYS  97   3.969   4.438   4.438
  734   2HD   LYS  97           HD1      LYS  97   3.612   2.809   2.809
  735   1HE   LYS  97           HE2      LYS  97   1.900   2.493   2.493
  736   2HE   LYS  97           HE1      LYS  97   1.525   4.227   4.227
  737   1HZ   LYS  97           HZ2      LYS  97   4.146   3.181   3.181
  738   2HZ   LYS  97           HZ1      LYS  97   2.821   3.202   3.202
  739   3HZ   LYS  97           HZ3      LYS  97   3.404   4.653   4.653
  740    H    GLU  98           HN       GLU  98   0.454   0.647   0.647
  741    HA   GLU  98           HA       GLU  98  -0.891  -0.303  -0.303
  742   1HB   GLU  98           HB2      GLU  98  -1.835  -0.450  -0.450
  743   2HB   GLU  98           HB1      GLU  98  -0.874  -1.929  -1.929
  744   1HG   GLU  98           HG2      GLU  98  -3.088  -2.511  -2.511
  745   2HG   GLU  98           HG1      GLU  98  -2.032  -2.543  -2.543
  746    H    TYR  99           HN       TYR  99  -0.007  -2.172  -2.172
  747    HA   TYR  99           HA       TYR  99   2.840  -2.655  -2.655
  748   1HB   TYR  99           HB2      TYR  99   1.948  -2.484  -2.484
  749   2HB   TYR  99           HB1      TYR  99   0.808  -3.791  -3.791
  750    HD1  TYR  99           HD2      TYR  99   4.493  -3.187  -3.187
  751    HD2  TYR  99           HD1      TYR  99   1.401  -5.854  -5.854
  752    HE1  TYR  99           HE2      TYR  99   6.212  -4.844  -4.844
  753    HE2  TYR  99           HE1      TYR  99   3.121  -7.512  -7.512
  754    HH   TYR  99           HH       TYR  99   6.499  -6.722  -6.722
  755    H    THR 100           HN       THR 100   3.640  -4.360  -4.360
  756    HA   THR 100           HA       THR 100   1.951  -6.769  -6.769
  757    HB   THR 100           HB       THR 100   2.325  -6.529  -6.529
  758    HG1  THR 100           HG1      THR 100   3.307  -3.989  -3.989
  759   1HG2  THR 100          HG22      THR 100   0.288  -5.621  -5.621
  760   2HG2  THR 100          HG21      THR 100   1.030  -4.031  -4.031
  761   3HG2  THR 100          HG23      THR 100   0.575  -4.963  -4.963
  762    H    ALA 101           HN       ALA 101   3.694  -7.746  -7.746
  763    HA   ALA 101           HA       ALA 101   6.185  -8.214  -8.214
  764   1HB   ALA 101           HB2      ALA 101   5.731  -7.301  -7.301
  765   2HB   ALA 101           HB1      ALA 101   7.054  -8.440  -8.440
  766   3HB   ALA 101           HB3      ALA 101   7.041  -6.901  -6.901
  767    H    GLY 102           HN       GLY 102   5.263  -9.535  -9.535
  768   1HA   GLY 102           HA2      GLY 102   4.679 -12.162 -12.162
  769   2HA   GLY 102           HA1      GLY 102   5.954 -12.081 -12.081
  770    H    ARG 103           HN       ARG 103   5.341 -12.345 -12.345
  771    HA   ARG 103           HA       ARG 103   2.748 -11.441 -11.441
  772   1HB   ARG 103           HB2      ARG 103   3.121 -14.085 -14.085
  773   2HB   ARG 103           HB1      ARG 103   2.654 -14.202 -14.202
  774   1HG   ARG 103           HG2      ARG 103   0.636 -13.036 -13.036
  775   2HG   ARG 103           HG1      ARG 103   1.194 -12.344 -12.344
  776   1HD   ARG 103           HD2      ARG 103   1.359 -15.071 -15.071
  777   2HD   ARG 103           HD1      ARG 103  -0.120 -14.922 -14.922
  778    HE   ARG 103           HE       ARG 103  -0.503 -12.880 -12.880
  779   1HH1  ARG 103          HH11      ARG 103   1.392 -13.575 -13.575
  780   2HH1  ARG 103          HH12      ARG 103   0.567 -14.725 -14.725
  781   1HH2  ARG 103          HH21      ARG 103  -1.862 -15.435 -15.435
  782   2HH2  ARG 103          HH22      ARG 103  -1.275 -15.779 -15.779
  783    H    GLU 104           HN       GLU 104   5.693 -11.320 -11.320
  784    HA   GLU 104           HA       GLU 104   5.476 -12.291 -12.291
  785   1HB   GLU 104           HB1      GLU 104   7.844 -12.541 -12.541
  786   2HB   GLU 104           HB2      GLU 104   7.814 -13.071 -13.071
  787   1HG   GLU 104           HG2      GLU 104   5.563 -14.283 -14.283
  788   2HG   GLU 104           HG1      GLU 104   6.686 -14.360 -14.360
  789    H    ALA 105           HN       ALA 105   6.981 -11.105 -11.105
  790    HA   ALA 105           HA       ALA 105   6.898  -8.293  -8.293
  791   1HB   ALA 105           HB3      ALA 105   7.342  -9.877  -9.877
  792   2HB   ALA 105           HB2      ALA 105   9.033  -9.781  -9.781
  793   3HB   ALA 105           HB1      ALA 105   8.167  -8.319  -8.319
  794    H    ASP 106           HN       ASP 106   9.418 -10.604 -10.604
  795    HA   ASP 106           HA       ASP 106  11.444  -8.658  -8.658
  796   1HB   ASP 106           HB2      ASP 106  10.833 -11.525 -11.525
  797   2HB   ASP 106           HB1      ASP 106  12.166 -10.710 -10.710
  798    H    ASP 107           HN       ASP 107   8.642  -9.864  -9.864
  799    HA   ASP 107           HA       ASP 107   9.455  -8.975  -8.975
  800   1HB   ASP 107           HB1      ASP 107   6.859  -9.728  -9.728
  801   2HB   ASP 107           HB2      ASP 107   6.905  -9.220  -9.220
  802    H    ILE 108           HN       ILE 108   7.473  -7.575  -7.575
  803    HA   ILE 108           HA       ILE 108   6.725  -5.185  -5.185
  804    HB   ILE 108           HB       ILE 108   6.966  -5.894  -5.894
  805   1HG1  ILE 108          HG12      ILE 108   4.563  -5.748  -5.748
  806   2HG1  ILE 108          HG11      ILE 108   5.376  -7.241  -7.241
  807   1HG2  ILE 108          HG21      ILE 108   5.610  -3.537  -3.537
  808   2HG2  ILE 108          HG23      ILE 108   5.414  -3.971  -3.971
  809   3HG2  ILE 108          HG22      ILE 108   6.991  -3.461  -3.461
  810   1HD1  ILE 108          HD11      ILE 108   4.967  -6.471  -6.471
  811   2HD1  ILE 108          HD13      ILE 108   3.816  -5.329  -5.329
  812   3HD1  ILE 108          HD12      ILE 108   3.576  -7.064  -7.064
  813    H    VAL 109           HN       VAL 109   9.423  -5.986  -5.986
  814    HA   VAL 109           HA       VAL 109  10.523  -3.336  -3.336
  815    HB   VAL 109           HB       VAL 109  11.733  -6.109  -6.109
  816   1HG1  VAL 109          HG23      VAL 109  13.059  -3.642  -3.642
  817   2HG1  VAL 109          HG22      VAL 109  12.994  -3.999  -3.999
  818   3HG1  VAL 109          HG21      VAL 109  13.729  -5.154  -5.154
  819   1HG2  VAL 109          HG13      VAL 109   9.810  -4.883  -4.883
  820   2HG2  VAL 109          HG12      VAL 109  10.902  -6.151  -6.151
  821   3HG2  VAL 109          HG11      VAL 109  11.301  -4.455  -4.455
  822    H    ASN 110           HN       ASN 110  10.993  -6.027  -6.027
  823    HA   ASN 110           HA       ASN 110  13.206  -4.855  -4.855
  824   1HB   ASN 110           HB1      ASN 110  11.201  -7.050  -7.050
  825   2HB   ASN 110           HB2      ASN 110  12.130  -6.544  -6.544
  826   1HD2  ASN 110          HD22      ASN 110  14.416  -7.813  -7.813
  827   2HD2  ASN 110          HD21      ASN 110  13.133  -6.738  -6.738
  828    H    TRP 111           HN       TRP 111   9.710  -4.520  -4.520
  829    HA   TRP 111           HA       TRP 111   9.805  -3.095  -3.095
  830   1HB   TRP 111           HB1      TRP 111   7.956  -4.629  -4.629
  831   2HB   TRP 111           HB2      TRP 111   7.535  -3.298  -3.298
  832    HD1  TRP 111           HD1      TRP 111   7.513  -4.325  -4.325
  833    HE1  TRP 111           HE1      TRP 111   6.051  -2.667  -2.667
  834    HE3  TRP 111           HE3      TRP 111   6.631  -0.835  -0.835
  835    HZ2  TRP 111           HZ2      TRP 111   4.687  -0.188  -0.188
  836    HZ3  TRP 111           HZ3      TRP 111   5.248   1.163   1.163
  837    HH2  TRP 111           HH2      TRP 111   4.275   1.490   1.490
  838    H    LEU 112           HN       LEU 112  10.142  -2.363  -2.363
  839    HA   LEU 112           HA       LEU 112   9.433   0.496   0.496
  840   1HB   LEU 112           HB2      LEU 112   9.690  -1.488  -1.488
  841   2HB   LEU 112           HB1      LEU 112  10.203   0.146   0.146
  842    HG   LEU 112           HG       LEU 112   7.947   0.815   0.815
  843   1HD1  LEU 112          HD11      LEU 112   7.674  -1.732  -1.732
  844   2HD1  LEU 112          HD13      LEU 112   7.108  -1.846  -1.846
  845   3HD1  LEU 112          HD12      LEU 112   6.262  -0.811  -0.811
  846   1HD2  LEU 112          HD22      LEU 112   8.775   0.528   0.528
  847   2HD2  LEU 112          HD21      LEU 112   7.293   1.326   1.326
  848   3HD2  LEU 112          HD23      LEU 112   7.258  -0.370  -0.370
  849    H    LYS 113           HN       LYS 113  12.201  -1.611  -1.611
  850    HA   LYS 113           HA       LYS 113  14.002   0.745   0.745
  851   1HB   LYS 113           HB2      LYS 113  13.954  -2.085  -2.085
  852   2HB   LYS 113           HB1      LYS 113  15.532  -1.518  -1.518
  853   1HG   LYS 113           HG2      LYS 113  15.607   0.197   0.197
  854   2HG   LYS 113           HG1      LYS 113  13.878   0.075   0.075
  855   1HD   LYS 113           HD2      LYS 113  14.210  -2.180  -2.180
  856   2HD   LYS 113           HD1      LYS 113  15.941  -2.060  -2.060
  857   1HE   LYS 113           HE2      LYS 113  16.217  -1.020  -1.020
  858   2HE   LYS 113           HE1      LYS 113  15.156   0.291   0.291
  859   1HZ   LYS 113           HZ3      LYS 113  13.265  -1.292  -1.292
  860   2HZ   LYS 113           HZ2      LYS 113  14.390  -2.239  -2.239
  861   3HZ   LYS 113           HZ1      LYS 113  14.062  -0.648  -0.648
  862    H    LYS 114           HN       LYS 114  12.689  -0.587  -0.587
  863    HA   LYS 114           HA       LYS 114  15.032  -1.462  -1.462
  864   1HB   LYS 114           HB2      LYS 114  12.189  -1.576  -1.576
  865   2HB   LYS 114           HB1      LYS 114  12.744  -0.759  -0.759
  866   1HG   LYS 114           HG2      LYS 114  13.981  -3.338  -3.338
  867   2HG   LYS 114           HG1      LYS 114  12.617  -3.307  -3.307
  868   1HD   LYS 114           HD2      LYS 114  13.917  -2.001  -2.001
  869   2HD   LYS 114           HD1      LYS 114  15.271  -1.919  -1.919
  870   1HE   LYS 114           HE2      LYS 114  15.962  -3.749  -3.749
  871   2HE   LYS 114           HE1      LYS 114  14.935  -4.604  -4.604
  872   1HZ   LYS 114           HZ2      LYS 114  13.039  -4.134  -4.134
  873   2HZ   LYS 114           HZ1      LYS 114  14.174  -3.621  -3.621
  874   3HZ   LYS 114           HZ3      LYS 114  14.187  -5.226  -5.226
  875    H    ARG 115           HN       ARG 115  13.368   1.534   1.534
  876    HA   ARG 115           HA       ARG 115  15.389   3.024   3.024
  877   1HB   ARG 115           HB2      ARG 115  12.657   2.431   2.431
  878   2HB   ARG 115           HB1      ARG 115  13.075   4.144   4.144
  879   1HG   ARG 115           HG2      ARG 115  15.304   3.294   3.294
  880   2HG   ARG 115           HG1      ARG 115  14.381   1.826   1.826
  881   1HD   ARG 115           HD2      ARG 115  13.144   4.468   4.468
  882   2HD   ARG 115           HD1      ARG 115  14.391   3.791   3.791
  883    HE   ARG 115           HE       ARG 115  11.882   2.342   2.342
  884   1HH1  ARG 115          HH21      ARG 115  14.432   0.894   0.894
  885   2HH1  ARG 115          HH22      ARG 115  14.012   0.677   0.677
  886   1HH2  ARG 115          HH11      ARG 115  11.392   2.948   2.948
  887   2HH2  ARG 115          HH12      ARG 115  12.291   1.840   1.840
  888    H    THR 116           HN       THR 116  14.505   2.848   2.848
  889    HA   THR 116           HA       THR 116  13.948   4.277   4.277
  890    HB   THR 116           HB       THR 116  14.472   6.712   6.712
  891    HG1  THR 116           HG1      THR 116  16.518   4.765   4.765
  892   1HG2  THR 116          HG23      THR 116  15.306   5.384   5.384
  893   2HG2  THR 116          HG22      THR 116  16.496   6.456   6.456
  894   3HG2  THR 116          HG21      THR 116  14.903   7.075   7.075
  895    H    GLY 117           HN       GLY 117  11.606   3.628   3.628
  896   1HA   GLY 117           HA2      GLY 117   9.370   4.374   4.374
  897   2HA   GLY 117           HA1      GLY 117   9.974   6.029   6.029
  898    HA   PRO 118           HA       PRO 118   8.277   4.695   4.695
  899   1HB   PRO 118           HB2      PRO 118   6.266   6.541   6.541
  900   2HB   PRO 118           HB1      PRO 118   6.048   4.938   4.938
  901   1HG   PRO 118           HG2      PRO 118   6.436   7.584   7.584
  902   2HG   PRO 118           HG1      PRO 118   5.430   6.217   6.217
  903   1HD   PRO 118           HD2      PRO 118   7.867   6.826   6.826
  904   2HD   PRO 118           HD1      PRO 118   7.141   5.204   5.204
  905    H    ALA 119           HN       ALA 119   8.295   6.098   6.098
  906    HA   ALA 119           HA       ALA 119   9.236   8.864   8.864
  907   1HB   ALA 119           HB3      ALA 119  11.131   7.040   7.040
  908   2HB   ALA 119           HB2      ALA 119  11.176   6.990   6.990
  909   3HB   ALA 119           HB1      ALA 119  11.483   8.506   8.506
  910    H    ALA 120           HN       ALA 120   8.383   9.859   9.859
  911    HA   ALA 120           HA       ALA 120   7.347   8.301   8.301
  912   1HB   ALA 120           HB2      ALA 120   6.467  10.464  10.464
  913   2HB   ALA 120           HB1      ALA 120   7.644  11.299  11.299
  914   3HB   ALA 120           HB3      ALA 120   6.351  10.358  10.358

  Start of MODEL   19
    1   1H    ASP   1           HT1      ASP   1 -10.884   8.774   8.774
    2   2H    ASP   1           HT3      ASP   1 -11.335  10.407  10.407
    3   3H    ASP   1           HT2      ASP   1 -12.501   9.193   9.193
    4    HA   ASP   1           HA       ASP   1 -11.722   8.636   8.636
    5   1HB   ASP   1           HB2      ASP   1 -11.131  11.593  11.593
    6   2HB   ASP   1           HB1      ASP   1 -12.766  10.957  10.957
    7    H    ALA   2           HN       ALA   2  -9.712   7.414   7.414
    8    HA   ALA   2           HA       ALA   2  -7.280   9.040   9.040
    9   1HB   ALA   2           HB3      ALA   2  -7.903   7.613   7.613
   10   2HB   ALA   2           HB2      ALA   2  -6.643   6.701   6.701
   11   3HB   ALA   2           HB1      ALA   2  -6.377   8.394   8.394
   12    HA   PRO   3           HA       PRO   3  -6.781   6.028   6.028
   13   1HB   PRO   3           HB2      PRO   3  -4.076   6.165   6.165
   14   2HB   PRO   3           HB1      PRO   3  -5.195   7.430   7.430
   15   1HG   PRO   3           HG2      PRO   3  -3.435   7.344   7.344
   16   2HG   PRO   3           HG1      PRO   3  -3.826   8.705   8.705
   17   1HD   PRO   3           HD1      PRO   3  -4.966   8.320   8.320
   18   2HD   PRO   3           HD2      PRO   3  -5.752   9.197   9.197
   19    H    GLU   4           HN       GLU   4  -6.169   3.821   3.821
   20    HA   GLU   4           HA       GLU   4  -4.916   2.591   2.591
   21   1HB   GLU   4           HB2      GLU   4  -7.400   2.232   2.232
   22   2HB   GLU   4           HB1      GLU   4  -6.488   0.927   0.927
   23   1HG   GLU   4           HG2      GLU   4  -6.433   1.448   1.448
   24   2HG   GLU   4           HG1      GLU   4  -7.582   0.344   0.344
   25    H    GLU   5           HN       GLU   5  -3.852   0.388   0.388
   26    HA   GLU   5           HA       GLU   5  -2.826   0.066   0.066
   27   1HB   GLU   5           HB2      GLU   5  -0.439   0.556   0.556
   28   2HB   GLU   5           HB1      GLU   5  -1.485   1.964   1.964
   29   1HG   GLU   5           HG1      GLU   5  -0.991   2.450   2.450
   30   2HG   GLU   5           HG2      GLU   5  -1.781   0.950   0.950
   31    H    GLU   6           HN       GLU   6  -0.904  -1.558  -1.558
   32    HA   GLU   6           HA       GLU   6  -1.102  -3.434  -3.434
   33   1HB   GLU   6           HB2      GLU   6  -2.044  -3.751  -3.751
   34   2HB   GLU   6           HB1      GLU   6  -1.254  -5.144  -5.144
   35   1HG   GLU   6           HG2      GLU   6  -2.942  -4.237  -4.237
   36   2HG   GLU   6           HG1      GLU   6  -3.891  -4.004  -4.004
   37    H    ASP   7           HN       ASP   7   0.996  -3.984  -3.984
   38    HA   ASP   7           HA       ASP   7   3.333  -4.313  -4.313
   39   1HB   ASP   7           HB2      ASP   7   2.356  -5.249  -5.249
   40   2HB   ASP   7           HB1      ASP   7   3.859  -5.735  -5.735
   41    H    HIS   8           HN       HIS   8   4.612  -4.156  -4.156
   42    HA   HIS   8           HA       HIS   8   5.085  -1.249  -1.249
   43   1HB   HIS   8           HB2      HIS   8   6.164  -3.622  -3.622
   44   2HB   HIS   8           HB1      HIS   8   6.711  -1.971  -1.971
   45    HD1  HIS   8           HD1      HIS   8   8.190  -0.861  -0.861
   46    HD2  HIS   8           HD2      HIS   8   6.938  -4.696  -4.696
   47    HE1  HIS   8           HE1      HIS   8   9.552  -1.528  -1.528
   48    H    VAL   9           HN       VAL   9   2.443  -1.638  -1.638
   49    HA   VAL   9           HA       VAL   9   2.337  -0.643  -0.643
   50    HB   VAL   9           HB       VAL   9   1.163  -3.260  -3.260
   51   1HG1  VAL   9          HG13      VAL   9  -0.545  -1.879  -1.879
   52   2HG1  VAL   9          HG12      VAL   9   0.544  -1.919  -1.919
   53   3HG1  VAL   9          HG11      VAL   9  -0.140  -3.418  -3.418
   54   1HG2  VAL   9          HG21      VAL   9   3.139  -2.406  -2.406
   55   2HG2  VAL   9          HG23      VAL   9   3.269  -3.701  -3.701
   56   3HG2  VAL   9          HG22      VAL   9   2.231  -3.901  -3.901
   57    H    LEU  10           HN       LEU  10   0.227   0.394   0.394
   58    HA   LEU  10           HA       LEU  10  -1.418   0.753   0.753
   59   1HB   LEU  10           HB2      LEU  10  -1.602   3.122   3.122
   60   2HB   LEU  10           HB1      LEU  10   0.091   2.658   2.658
   61    HG   LEU  10           HG       LEU  10  -0.785   2.110   2.110
   62   1HD1  LEU  10          HD22      LEU  10  -1.591   4.735   4.735
   63   2HD1  LEU  10          HD21      LEU  10  -0.952   4.728   4.728
   64   3HD1  LEU  10          HD23      LEU  10  -2.390   3.782   3.782
   65   1HD2  LEU  10          HD11      LEU  10   1.181   4.065   4.065
   66   2HD2  LEU  10          HD13      LEU  10   1.538   2.446   2.446
   67   3HD2  LEU  10          HD12      LEU  10   1.075   3.724   3.724
   68    H    VAL  11           HN       VAL  11  -3.677   1.434   1.434
   69    HA   VAL  11           HA       VAL  11  -4.662   0.204   0.204
   70    HB   VAL  11           HB       VAL  11  -5.412  -0.695  -0.695
   71   1HG1  VAL  11          HG23      VAL  11  -6.452   2.130   2.130
   72   2HG1  VAL  11          HG22      VAL  11  -6.997   0.772   0.772
   73   3HG1  VAL  11          HG21      VAL  11  -5.310   1.280   1.280
   74   1HG2  VAL  11          HG13      VAL  11  -7.380   0.644   0.644
   75   2HG2  VAL  11          HG12      VAL  11  -7.000  -1.071  -1.071
   76   3HG2  VAL  11          HG11      VAL  11  -7.945  -0.262  -0.262
   77    H    LEU  12           HN       LEU  12  -6.012   1.410   1.410
   78    HA   LEU  12           HA       LEU  12  -5.956   4.353   4.353
   79   1HB   LEU  12           HB1      LEU  12  -5.522   2.659   2.659
   80   2HB   LEU  12           HB2      LEU  12  -7.146   3.254   3.254
   81    HG   LEU  12           HG       LEU  12  -6.363   5.564   5.564
   82   1HD1  LEU  12          HD11      LEU  12  -4.024   4.244   4.244
   83   2HD1  LEU  12          HD13      LEU  12  -3.598   5.455   5.455
   84   3HD1  LEU  12          HD12      LEU  12  -4.586   5.907   5.907
   85   1HD2  LEU  12          HD22      LEU  12  -4.986   3.636   3.636
   86   2HD2  LEU  12          HD21      LEU  12  -6.149   4.905   4.905
   87   3HD2  LEU  12          HD23      LEU  12  -4.474   5.324   5.324
   88    H    ARG  13           HN       ARG  13  -8.043   5.173   5.173
   89    HA   ARG  13           HA       ARG  13 -10.583   3.931   3.931
   90   1HB   ARG  13           HB2      ARG  13  -9.339   4.903   4.903
   91   2HB   ARG  13           HB1      ARG  13 -10.242   6.330   6.330
   92   1HG   ARG  13           HG2      ARG  13 -12.262   4.726   4.726
   93   2HG   ARG  13           HG1      ARG  13 -11.301   3.605   3.605
   94   1HD   ARG  13           HD2      ARG  13 -11.120   5.253   5.253
   95   2HD   ARG  13           HD1      ARG  13 -11.996   6.447   6.447
   96    HE   ARG  13           HE       ARG  13 -13.548   4.054   4.054
   97   1HH1  ARG  13          HH11      ARG  13 -14.457   6.883   6.883
   98   2HH1  ARG  13          HH12      ARG  13 -14.902   6.693   6.693
   99   1HH2  ARG  13          HH21      ARG  13 -13.242   3.673   3.673
  100   2HH2  ARG  13          HH22      ARG  13 -14.214   4.876   4.876
  101    H    LYS  14           HN       LYS  14 -12.105   6.308   6.308
  102    HA   LYS  14           HA       LYS  14 -11.723   7.573   7.573
  103   1HB   LYS  14           HB2      LYS  14 -13.893   6.631   6.631
  104   2HB   LYS  14           HB1      LYS  14 -14.081   8.381   8.381
  105   1HG   LYS  14           HG2      LYS  14 -13.283   7.257   7.257
  106   2HG   LYS  14           HG1      LYS  14 -14.766   6.507   6.507
  107   1HD   LYS  14           HD2      LYS  14 -15.549   8.403   8.403
  108   2HD   LYS  14           HD1      LYS  14 -15.522   8.941   8.941
  109   1HE   LYS  14           HE2      LYS  14 -12.919   9.418   9.418
  110   2HE   LYS  14           HE1      LYS  14 -14.093  10.052  10.052
  111   1HZ   LYS  14           HZ1      LYS  14 -14.366  10.497  10.497
  112   2HZ   LYS  14           HZ3      LYS  14 -13.509  11.571  11.571
  113   3HZ   LYS  14           HZ2      LYS  14 -15.165  11.305  11.305
  114    H    SER  15           HN       SER  15 -11.354   8.249   8.249
  115    HA   SER  15           HA       SER  15 -11.307  11.193  11.193
  116   1HB   SER  15           HB1      SER  15 -12.732  10.610  10.610
  117   2HB   SER  15           HB2      SER  15 -11.594   9.414   9.414
  118    HG   SER  15           HG       SER  15 -11.721  12.103  12.103
  119    H    ASN  16           HN       ASN  16  -9.123   8.775   8.775
  120    HA   ASN  16           HA       ASN  16  -6.905  10.543  10.543
  121   1HB   ASN  16           HB1      ASN  16  -5.883   8.610   8.610
  122   2HB   ASN  16           HB2      ASN  16  -7.472   8.982   8.982
  123   1HD2  ASN  16          HD22      ASN  16  -7.460   5.322   5.322
  124   2HD2  ASN  16          HD21      ASN  16  -6.676   6.419   6.419
  125    H    PHE  17           HN       PHE  17  -8.186   9.133   9.133
  126    HA   PHE  17           HA       PHE  17  -6.100   7.470   7.470
  127   1HB   PHE  17           HB2      PHE  17  -8.389   7.445   7.445
  128   2HB   PHE  17           HB1      PHE  17  -8.310   9.158   9.158
  129    HD1  PHE  17           HD1      PHE  17  -5.524   6.798   6.798
  130    HD2  PHE  17           HD2      PHE  17  -8.782   8.916   8.916
  131    HE1  PHE  17           HE1      PHE  17  -4.633   6.235   6.235
  132    HE2  PHE  17           HE2      PHE  17  -7.891   8.353   8.353
  133    HZ   PHE  17           HZ       PHE  17  -5.878   7.015   7.015
  134    H    ALA  18           HN       ALA  18  -7.045  10.677  10.677
  135    HA   ALA  18           HA       ALA  18  -4.589  11.237  11.237
  136   1HB   ALA  18           HB3      ALA  18  -6.995  12.352  12.352
  137   2HB   ALA  18           HB2      ALA  18  -6.254  13.395  13.395
  138   3HB   ALA  18           HB1      ALA  18  -5.579  13.319  13.319
  139    H    GLU  19           HN       GLU  19  -5.485  11.447  11.447
  140    HA   GLU  19           HA       GLU  19  -3.464  13.299  13.299
  141   1HB   GLU  19           HB1      GLU  19  -5.589  12.502  12.502
  142   2HB   GLU  19           HB2      GLU  19  -4.741  10.997  10.997
  143   1HG   GLU  19           HG2      GLU  19  -3.054  12.168  12.168
  144   2HG   GLU  19           HG1      GLU  19  -3.704  13.733  13.733
  145    H    ALA  20           HN       ALA  20  -3.631   9.725   9.725
  146    HA   ALA  20           HA       ALA  20  -1.062   9.214   9.214
  147   1HB   ALA  20           HB3      ALA  20  -3.210   7.774   7.774
  148   2HB   ALA  20           HB2      ALA  20  -2.074   7.432   7.432
  149   3HB   ALA  20           HB1      ALA  20  -1.644   7.047   7.047
  150    H    LEU  21           HN       LEU  21  -2.051   9.722   9.722
  151    HA   LEU  21           HA       LEU  21   0.493   9.188   9.188
  152   1HB   LEU  21           HB2      LEU  21  -1.809  10.990  10.990
  153   2HB   LEU  21           HB1      LEU  21  -0.524  10.451  10.451
  154    HG   LEU  21           HG       LEU  21  -2.496   8.663   8.663
  155   1HD1  LEU  21          HD13      LEU  21  -2.571  10.037  10.037
  156   2HD1  LEU  21          HD12      LEU  21  -2.513   8.297   8.297
  157   3HD1  LEU  21          HD11      LEU  21  -3.792   8.987   8.987
  158   1HD2  LEU  21          HD23      LEU  21   0.041   8.154   8.154
  159   2HD2  LEU  21          HD22      LEU  21  -0.698   7.243   7.243
  160   3HD2  LEU  21          HD21      LEU  21  -1.301   7.060   7.060
  161    H    ALA  22           HN       ALA  22  -1.020  12.212  12.212
  162    HA   ALA  22           HA       ALA  22   1.270  13.866  13.866
  163   1HB   ALA  22           HB3      ALA  22  -1.394  14.105  14.105
  164   2HB   ALA  22           HB2      ALA  22  -0.207  15.311  15.311
  165   3HB   ALA  22           HB1      ALA  22  -0.628  15.143  15.143
  166    H    ALA  23           HN       ALA  23   0.843  11.605  11.605
  167    HA   ALA  23           HA       ALA  23   2.174  13.098  13.098
  168   1HB   ALA  23           HB1      ALA  23   0.496  10.928  10.928
  169   2HB   ALA  23           HB3      ALA  23   2.052  10.151  10.151
  170   3HB   ALA  23           HB2      ALA  23   1.429  11.332  11.332
  171    H    HIS  24           HN       HIS  24   3.053  10.650  10.650
  172    HA   HIS  24           HA       HIS  24   5.933  11.148  11.148
  173   1HB   HIS  24           HB1      HIS  24   4.325   8.754   8.754
  174   2HB   HIS  24           HB2      HIS  24   5.635   8.482   8.482
  175    HD1  HIS  24           HD1      HIS  24   4.948   9.142   9.142
  176    HD2  HIS  24           HD2      HIS  24   8.271   8.749   8.749
  177    HE1  HIS  24           HE1      HIS  24   6.959   8.909   8.909
  178    H    LYS  25           HN       LYS  25   7.276  10.026  10.026
  179    HA   LYS  25           HA       LYS  25   6.391  11.311  11.311
  180   1HB   LYS  25           HB2      LYS  25   8.791  10.345  10.345
  181   2HB   LYS  25           HB1      LYS  25   8.657   9.614   9.614
  182   1HG   LYS  25           HG2      LYS  25   9.835  11.757  11.757
  183   2HG   LYS  25           HG1      LYS  25   8.271  11.873  11.873
  184   1HD   LYS  25           HD2      LYS  25   8.318  13.830  13.830
  185   2HD   LYS  25           HD1      LYS  25   7.420  12.714  12.714
  186   1HE   LYS  25           HE2      LYS  25   9.872  12.115  12.115
  187   2HE   LYS  25           HE1      LYS  25  10.198  13.772  13.772
  188   1HZ   LYS  25           HZ1      LYS  25   7.920  12.973  12.973
  189   2HZ   LYS  25           HZ3      LYS  25   9.343  13.712  13.712
  190   3HZ   LYS  25           HZ2      LYS  25   8.303  14.553  14.553
  191    H    TYR  26           HN       TYR  26   7.669   8.000   8.000
  192    HA   TYR  26           HA       TYR  26   5.932   7.042   7.042
  193   1HB   TYR  26           HB2      TYR  26   7.906   5.600   5.600
  194   2HB   TYR  26           HB1      TYR  26   7.270   5.008   5.008
  195    HD1  TYR  26           HD2      TYR  26   7.366   7.307   7.307
  196    HD2  TYR  26           HD1      TYR  26  10.173   6.070   6.070
  197    HE1  TYR  26           HE2      TYR  26   9.179   8.495   8.495
  198    HE2  TYR  26           HE1      TYR  26  11.989   7.259   7.259
  199    HH   TYR  26           HH       TYR  26  12.202   7.966   7.966
  200    H    LEU  27           HN       LEU  27   3.823   6.610   6.610
  201    HA   LEU  27           HA       LEU  27   3.380   5.179   5.179
  202   1HB   LEU  27           HB1      LEU  27   2.376   7.604   7.604
  203   2HB   LEU  27           HB2      LEU  27   1.054   6.453   6.453
  204    HG   LEU  27           HG       LEU  27   1.042   7.618   7.618
  205   1HD1  LEU  27          HD23      LEU  27   0.631   4.936   4.936
  206   2HD1  LEU  27          HD22      LEU  27   1.663   4.889   4.889
  207   3HD1  LEU  27          HD21      LEU  27   0.130   5.758   5.758
  208   1HD2  LEU  27          HD11      LEU  27   3.803   7.085   7.085
  209   2HD2  LEU  27          HD13      LEU  27   2.914   7.795   7.795
  210   3HD2  LEU  27          HD12      LEU  27   3.177   6.051   6.051
  211    H    LEU  28           HN       LEU  28   2.629   3.118   3.118
  212    HA   LEU  28           HA       LEU  28   1.529   2.328   2.328
  213   1HB   LEU  28           HB1      LEU  28   3.651   1.315   1.315
  214   2HB   LEU  28           HB2      LEU  28   2.565   0.543   0.543
  215    HG   LEU  28           HG       LEU  28   3.151  -0.916  -0.916
  216   1HD1  LEU  28          HD21      LEU  28   0.868  -0.835  -0.835
  217   2HD1  LEU  28          HD23      LEU  28   0.228  -0.296  -0.296
  218   3HD1  LEU  28          HD22      LEU  28   1.033  -1.860  -1.860
  219   1HD2  LEU  28          HD13      LEU  28   2.720   1.405   1.405
  220   2HD2  LEU  28          HD12      LEU  28   2.917  -0.217  -0.217
  221   3HD2  LEU  28          HD11      LEU  28   1.303   0.419   0.419
  222    H    VAL  29           HN       VAL  29  -0.603   1.790   1.790
  223    HA   VAL  29           HA       VAL  29  -2.060   1.302   1.302
  224    HB   VAL  29           HB       VAL  29  -3.043   2.325   2.325
  225   1HG1  VAL  29          HG21      VAL  29  -4.330   1.734   1.734
  226   2HG1  VAL  29          HG23      VAL  29  -4.914   3.119   3.119
  227   3HG1  VAL  29          HG22      VAL  29  -4.963   1.504   1.504
  228   1HG2  VAL  29          HG12      VAL  29  -1.429   3.828   3.828
  229   2HG2  VAL  29          HG11      VAL  29  -3.027   4.523   4.523
  230   3HG2  VAL  29          HG13      VAL  29  -2.609   3.872   3.872
  231    H    GLU  30           HN       GLU  30  -3.601  -0.427  -0.427
  232    HA   GLU  30           HA       GLU  30  -3.459  -2.310  -2.310
  233   1HB   GLU  30           HB1      GLU  30  -1.960  -3.095  -3.095
  234   2HB   GLU  30           HB2      GLU  30  -3.179  -2.835  -2.835
  235   1HG   GLU  30           HG1      GLU  30  -2.738  -5.182  -5.182
  236   2HG   GLU  30           HG2      GLU  30  -3.976  -4.912  -4.912
  237    H    PHE  31           HN       PHE  31  -5.517  -2.518  -2.518
  238    HA   PHE  31           HA       PHE  31  -7.833  -2.048  -2.048
  239   1HB   PHE  31           HB2      PHE  31  -7.321  -2.228  -2.228
  240   2HB   PHE  31           HB1      PHE  31  -8.970  -2.299  -2.299
  241    HD1  PHE  31           HD2      PHE  31  -5.903  -0.225  -0.225
  242    HD2  PHE  31           HD1      PHE  31 -10.052  -0.349  -0.349
  243    HE1  PHE  31           HE2      PHE  31  -5.916   2.245   2.245
  244    HE2  PHE  31           HE1      PHE  31 -10.067   2.120   2.120
  245    HZ   PHE  31           HZ       PHE  31  -7.999   3.418   3.418
  246    H    TYR  32           HN       TYR  32  -8.626  -3.854  -3.854
  247    HA   TYR  32           HA       TYR  32  -8.991  -6.338  -6.338
  248   1HB   TYR  32           HB2      TYR  32  -7.836  -7.671  -7.671
  249   2HB   TYR  32           HB1      TYR  32  -6.775  -6.320  -6.320
  250    HD1  TYR  32           HD2      TYR  32  -6.742  -4.296  -4.296
  251    HD2  TYR  32           HD1      TYR  32  -8.630  -7.999  -7.999
  252    HE1  TYR  32           HE2      TYR  32  -6.692  -3.623  -3.623
  253    HE2  TYR  32           HE1      TYR  32  -8.580  -7.328  -7.328
  254    HH   TYR  32           HH       TYR  32  -7.530  -4.103  -4.103
  255    H    ALA  33           HN       ALA  33 -10.258  -7.981  -7.981
  256    HA   ALA  33           HA       ALA  33 -12.296  -6.393  -6.393
  257   1HB   ALA  33           HB3      ALA  33 -12.577  -8.839  -8.839
  258   2HB   ALA  33           HB2      ALA  33 -13.894  -8.126  -8.126
  259   3HB   ALA  33           HB1      ALA  33 -13.138  -7.208  -7.208
  260    HA   PRO  34           HA       PRO  34 -11.400  -9.086  -9.086
  261   1HB   PRO  34           HB2      PRO  34 -13.853  -9.303  -9.303
  262   2HB   PRO  34           HB1      PRO  34 -12.846  -7.845  -7.845
  263   1HG   PRO  34           HG2      PRO  34 -15.190  -8.427  -8.427
  264   2HG   PRO  34           HG1      PRO  34 -14.757  -6.930  -6.930
  265   1HD   PRO  34           HD1      PRO  34 -14.317  -7.322  -7.322
  266   2HD   PRO  34           HD2      PRO  34 -13.299  -6.272  -6.272
  267    H    TRP  35           HN       TRP  35 -13.485 -10.012 -10.012
  268    HA   TRP  35           HA       TRP  35 -13.705 -12.798 -12.798
  269   1HB   TRP  35           HB2      TRP  35 -15.557 -12.993 -12.993
  270   2HB   TRP  35           HB1      TRP  35 -15.800 -11.599 -11.599
  271    HD1  TRP  35           HD1      TRP  35 -15.920  -9.269  -9.269
  272    HE1  TRP  35           HE1      TRP  35 -15.765  -8.399  -8.399
  273    HE3  TRP  35           HE3      TRP  35 -14.314 -13.505 -13.505
  274    HZ2  TRP  35           HZ2      TRP  35 -15.054  -9.373  -9.373
  275    HZ3  TRP  35           HZ3      TRP  35 -13.907 -13.506 -13.506
  276    HH2  TRP  35           HH2      TRP  35 -14.274 -11.448 -11.448
  277    H    CYS  36           HN       CYS  36 -12.086 -10.841 -10.841
  278    HA   CYS  36           HA       CYS  36 -11.718 -12.607 -12.607
  279   1HB   CYS  36           HB2      CYS  36 -10.997 -10.236 -10.236
  280   2HB   CYS  36           HB1      CYS  36  -9.754 -10.695 -10.695
  281    H    GLY  37           HN       GLY  37 -10.776 -14.609 -14.609
  282   1HA   GLY  37           HA2      GLY  37  -9.339 -15.619 -15.619
  283   2HA   GLY  37           HA1      GLY  37  -9.768 -16.553 -16.553
  284    H    HIS  38           HN       HIS  38  -8.551 -14.356 -14.356
  285    HA   HIS  38           HA       HIS  38  -5.780 -15.408 -15.408
  286   1HB   HIS  38           HB2      HIS  38  -7.632 -14.777 -14.777
  287   2HB   HIS  38           HB1      HIS  38  -6.399 -13.522 -13.522
  288    HD1  HIS  38           HD1      HIS  38  -6.666 -17.320 -17.320
  289    HD2  HIS  38           HD2      HIS  38  -4.049 -14.369 -14.369
  290    HE1  HIS  38           HE1      HIS  38  -4.817 -18.519 -18.519
  291    H    CYS  39           HN       CYS  39  -7.411 -12.722 -12.722
  292    HA   CYS  39           HA       CYS  39  -5.151 -10.839 -10.839
  293   1HB   CYS  39           HB2      CYS  39  -7.827 -10.602 -10.602
  294   2HB   CYS  39           HB1      CYS  39  -6.722  -9.266  -9.266
  295    H    LYS  40           HN       LYS  40  -6.463 -13.012 -13.012
  296    HA   LYS  40           HA       LYS  40  -5.017 -11.772 -11.772
  297   1HB   LYS  40           HB2      LYS  40  -6.525 -14.394 -14.394
  298   2HB   LYS  40           HB1      LYS  40  -6.079 -13.592 -13.592
  299   1HG   LYS  40           HG2      LYS  40  -7.864 -12.356 -12.356
  300   2HG   LYS  40           HG1      LYS  40  -8.462 -13.180 -13.180
  301   1HD   LYS  40           HD2      LYS  40  -6.653 -11.460 -11.460
  302   2HD   LYS  40           HD1      LYS  40  -7.219 -10.509 -10.509
  303   1HE   LYS  40           HE2      LYS  40  -9.296 -10.219 -10.219
  304   2HE   LYS  40           HE1      LYS  40  -9.362 -11.886 -11.886
  305   1HZ   LYS  40           HZ3      LYS  40  -7.523 -11.138 -11.138
  306   2HZ   LYS  40           HZ2      LYS  40  -7.985  -9.551  -9.551
  307   3HZ   LYS  40           HZ1      LYS  40  -9.098 -10.606 -10.606
  308    H    ALA  41           HN       ALA  41  -4.565 -14.363 -14.363
  309    HA   ALA  41           HA       ALA  41  -2.581 -15.888 -15.888
  310   1HB   ALA  41           HB3      ALA  41  -3.873 -15.782 -15.782
  311   2HB   ALA  41           HB2      ALA  41  -2.138 -15.804 -15.804
  312   3HB   ALA  41           HB1      ALA  41  -2.876 -17.089 -17.089
  313    H    LEU  42           HN       LEU  42  -2.443 -12.745 -12.745
  314    HA   LEU  42           HA       LEU  42   0.545 -12.827 -12.827
  315   1HB   LEU  42           HB1      LEU  42  -1.189 -12.040 -12.040
  316   2HB   LEU  42           HB2      LEU  42  -1.128 -10.533 -10.533
  317    HG   LEU  42           HG       LEU  42   1.512 -11.069 -11.069
  318   1HD1  LEU  42          HD13      LEU  42   0.525 -13.067 -13.067
  319   2HD1  LEU  42          HD12      LEU  42   0.836 -11.803 -11.803
  320   3HD1  LEU  42          HD11      LEU  42   2.144 -12.385 -12.385
  321   1HD2  LEU  42          HD23      LEU  42   0.098  -9.054  -9.054
  322   2HD2  LEU  42          HD22      LEU  42   1.628  -9.349  -9.349
  323   3HD2  LEU  42          HD21      LEU  42   0.111  -9.840  -9.840
  324    H    ALA  43           HN       ALA  43  -0.846 -12.696 -12.696
  325    HA   ALA  43           HA       ALA  43  -0.898  -9.928  -9.928
  326   1HB   ALA  43           HB3      ALA  43  -1.844 -12.445 -12.445
  327   2HB   ALA  43           HB2      ALA  43  -0.691 -11.987 -11.987
  328   3HB   ALA  43           HB1      ALA  43  -2.050 -10.928 -10.928
  329    HA   PRO  44           HA       PRO  44   3.120 -11.189 -11.189
  330   1HB   PRO  44           HB1      PRO  44   4.325 -13.557 -13.557
  331   2HB   PRO  44           HB2      PRO  44   3.104 -13.400 -13.400
  332   1HG   PRO  44           HG2      PRO  44   2.840 -14.447 -14.447
  333   2HG   PRO  44           HG1      PRO  44   2.030 -14.964 -14.964
  334   1HD   PRO  44           HD1      PRO  44   0.888 -13.391 -13.391
  335   2HD   PRO  44           HD2      PRO  44   0.336 -13.475 -13.475
  336    H    GLU  45           HN       GLU  45   2.575 -11.173 -11.173
  337    HA   GLU  45           HA       GLU  45   5.478 -10.865 -10.865
  338   1HB   GLU  45           HB2      GLU  45   2.973 -11.422 -11.422
  339   2HB   GLU  45           HB1      GLU  45   4.519 -11.039 -11.039
  340   1HG   GLU  45           HG1      GLU  45   4.676 -13.348 -13.348
  341   2HG   GLU  45           HG2      GLU  45   5.392 -12.953 -12.953
  342    H    TYR  46           HN       TYR  46   2.349  -9.310  -9.310
  343    HA   TYR  46           HA       TYR  46   3.351  -6.842  -6.842
  344   1HB   TYR  46           HB2      TYR  46   1.162  -7.273  -7.273
  345   2HB   TYR  46           HB1      TYR  46   0.765  -8.064  -8.064
  346    HD1  TYR  46           HD2      TYR  46   1.204  -4.763  -4.763
  347    HD2  TYR  46           HD1      TYR  46  -0.130  -6.847  -6.847
  348    HE1  TYR  46           HE2      TYR  46   0.123  -2.691  -2.691
  349    HE2  TYR  46           HE1      TYR  46  -1.215  -4.777  -4.777
  350    HH   TYR  46           HH       TYR  46  -0.561  -1.749  -1.749
  351    H    ALA  47           HN       ALA  47   3.118  -8.234  -8.234
  352    HA   ALA  47           HA       ALA  47   3.231  -5.556  -5.556
  353   1HB   ALA  47           HB3      ALA  47   2.711  -8.398  -8.398
  354   2HB   ALA  47           HB2      ALA  47   3.036  -7.129  -7.129
  355   3HB   ALA  47           HB1      ALA  47   1.637  -7.005  -7.005
  356    H    LYS  48           HN       LYS  48   5.232  -8.261  -8.261
  357    HA   LYS  48           HA       LYS  48   7.337  -7.567  -7.567
  358   1HB   LYS  48           HB2      LYS  48   7.068  -9.645  -9.645
  359   2HB   LYS  48           HB1      LYS  48   8.417  -9.557  -9.557
  360   1HG   LYS  48           HG2      LYS  48   5.505 -10.009 -10.009
  361   2HG   LYS  48           HG1      LYS  48   6.807 -11.191 -11.191
  362   1HD   LYS  48           HD2      LYS  48   6.526  -8.643  -8.643
  363   2HD   LYS  48           HD1      LYS  48   6.385 -10.296 -10.296
  364   1HE   LYS  48           HE2      LYS  48   8.757 -10.715 -10.715
  365   2HE   LYS  48           HE1      LYS  48   8.903  -9.046  -9.046
  366   1HZ   LYS  48           HZ3      LYS  48   8.023  -9.819  -9.819
  367   2HZ   LYS  48           HZ2      LYS  48   9.580  -9.265  -9.265
  368   3HZ   LYS  48           HZ1      LYS  48   8.239  -8.238  -8.238
  369    H    ALA  49           HN       ALA  49   6.402  -6.300  -6.300
  370    HA   ALA  49           HA       ALA  49   9.061  -6.049  -6.049
  371   1HB   ALA  49           HB3      ALA  49   6.318  -5.792  -5.792
  372   2HB   ALA  49           HB2      ALA  49   7.086  -4.235  -4.235
  373   3HB   ALA  49           HB1      ALA  49   7.723  -5.697  -5.697
  374    H    ALA  50           HN       ALA  50   6.737  -3.912  -3.912
  375    HA   ALA  50           HA       ALA  50   8.399  -1.551  -1.551
  376   1HB   ALA  50           HB2      ALA  50   5.970  -2.491  -2.491
  377   2HB   ALA  50           HB1      ALA  50   6.739  -0.972  -0.972
  378   3HB   ALA  50           HB3      ALA  50   6.109  -1.182  -1.182
  379    H    GLY  51           HN       GLY  51   8.536  -4.400  -4.400
  380   1HA   GLY  51           HA2      GLY  51   9.853  -3.084  -3.084
  381   2HA   GLY  51           HA1      GLY  51   9.562  -4.814  -4.814
  382    H    LYS  52           HN       LYS  52  10.741  -4.616  -4.616
  383    HA   LYS  52           HA       LYS  52  13.334  -5.565  -5.565
  384   1HB   LYS  52           HB2      LYS  52  11.746  -4.537  -4.537
  385   2HB   LYS  52           HB1      LYS  52  13.483  -4.326  -4.326
  386   1HG   LYS  52           HG2      LYS  52  12.830  -6.949  -6.949
  387   2HG   LYS  52           HG1      LYS  52  12.056  -6.672  -6.672
  388   1HD   LYS  52           HD2      LYS  52  14.292  -7.656  -7.656
  389   2HD   LYS  52           HD1      LYS  52  14.245  -6.016  -6.016
  390   1HE   LYS  52           HE2      LYS  52  15.240  -5.175  -5.175
  391   2HE   LYS  52           HE1      LYS  52  15.378  -6.854  -6.854
  392   1HZ   LYS  52           HZ2      LYS  52  16.540  -7.302  -7.302
  393   2HZ   LYS  52           HZ1      LYS  52  16.652  -5.619  -5.619
  394   3HZ   LYS  52           HZ3      LYS  52  17.414  -6.365  -6.365
  395    H    LEU  53           HN       LEU  53  12.266  -2.201  -2.201
  396    HA   LEU  53           HA       LEU  53  14.958  -1.099  -1.099
  397   1HB   LEU  53           HB1      LEU  53  13.704   1.046   1.046
  398   2HB   LEU  53           HB2      LEU  53  13.066  -0.007  -0.007
  399    HG   LEU  53           HG       LEU  53  11.689  -0.707  -0.707
  400   1HD1  LEU  53          HD12      LEU  53  12.622   1.635   1.635
  401   2HD1  LEU  53          HD11      LEU  53  11.425   2.258   2.258
  402   3HD1  LEU  53          HD13      LEU  53  10.908   1.300   1.300
  403   1HD2  LEU  53          HD23      LEU  53  10.970   0.870   0.870
  404   2HD2  LEU  53          HD22      LEU  53  10.663  -0.837  -0.837
  405   3HD2  LEU  53          HD21      LEU  53   9.773   0.401   0.401
  406    H    LYS  54           HN       LYS  54  12.587  -1.893  -1.893
  407    HA   LYS  54           HA       LYS  54  12.653  -1.609  -1.609
  408   1HB   LYS  54           HB2      LYS  54  14.491  -3.230  -3.230
  409   2HB   LYS  54           HB1      LYS  54  15.617  -1.871  -1.871
  410   1HG   LYS  54           HG2      LYS  54  15.031  -1.409  -1.409
  411   2HG   LYS  54           HG1      LYS  54  13.915  -2.775  -2.775
  412   1HD   LYS  54           HD2      LYS  54  16.878  -3.006  -3.006
  413   2HD   LYS  54           HD1      LYS  54  16.161  -3.324  -3.324
  414   1HE   LYS  54           HE2      LYS  54  15.592  -5.414  -5.414
  415   2HE   LYS  54           HE1      LYS  54  14.681  -4.755  -4.755
  416   1HZ   LYS  54           HZ2      LYS  54  17.639  -4.892  -4.892
  417   2HZ   LYS  54           HZ1      LYS  54  16.686  -6.174  -6.174
  418   3HZ   LYS  54           HZ3      LYS  54  16.604  -4.654  -4.654
  419    H    ALA  55           HN       ALA  55  12.352   0.861   0.861
  420    HA   ALA  55           HA       ALA  55  12.702   3.158   3.158
  421   1HB   ALA  55           HB1      ALA  55  12.841   1.823   1.823
  422   2HB   ALA  55           HB3      ALA  55  14.446   2.551   2.551
  423   3HB   ALA  55           HB2      ALA  55  13.012   3.574   3.574
  424    H    GLU  56           HN       GLU  56  14.756   1.397   1.397
  425    HA   GLU  56           HA       GLU  56  17.419   2.134   2.134
  426   1HB   GLU  56           HB1      GLU  56  15.718   1.254   1.254
  427   2HB   GLU  56           HB2      GLU  56  17.122   2.177   2.177
  428   1HG   GLU  56           HG2      GLU  56  17.540   0.077   0.077
  429   2HG   GLU  56           HG1      GLU  56  17.275  -0.450  -0.450
  430    H    GLY  57           HN       GLY  57  14.791   4.105   4.105
  431   1HA   GLY  57           HA1      GLY  57  15.185   6.581   6.581
  432   2HA   GLY  57           HA2      GLY  57  16.730   6.341   6.341
  433    H    SER  58           HN       SER  58  14.622   4.330   4.330
  434    HA   SER  58           HA       SER  58  14.550   5.941   5.941
  435   1HB   SER  58           HB1      SER  58  14.156   3.306   3.306
  436   2HB   SER  58           HB2      SER  58  12.535   3.818   3.818
  437    HG   SER  58           HG       SER  58  14.068   3.001   3.001
  438    H    GLU  59           HN       GLU  59  12.307   6.307   6.307
  439    HA   GLU  59           HA       GLU  59  10.429   7.553   7.553
  440   1HB   GLU  59           HB2      GLU  59  10.037   9.171   9.171
  441   2HB   GLU  59           HB1      GLU  59  11.688   9.203   9.203
  442   1HG   GLU  59           HG2      GLU  59  12.461   7.864   7.864
  443   2HG   GLU  59           HG1      GLU  59  10.808   7.543   7.543
  444    H    ILE  60           HN       ILE  60  10.490   4.823   4.823
  445    HA   ILE  60           HA       ILE  60   8.189   4.862   4.862
  446    HB   ILE  60           HB       ILE  60   8.841   2.542   2.542
  447   1HG1  ILE  60          HG11      ILE  60  10.741   2.950   2.950
  448   2HG1  ILE  60          HG12      ILE  60   9.303   1.932   1.932
  449   1HG2  ILE  60          HG23      ILE  60  10.596   4.774   4.774
  450   2HG2  ILE  60          HG22      ILE  60  11.571   3.356   3.356
  451   3HG2  ILE  60          HG21      ILE  60  10.483   3.329   3.329
  452   1HD1  ILE  60          HD12      ILE  60  11.084   1.343   1.343
  453   2HD1  ILE  60          HD11      ILE  60  11.867   1.114   1.114
  454   3HD1  ILE  60          HD13      ILE  60  10.377   0.247   0.247
  455    H    ARG  61           HN       ARG  61   6.196   3.842   3.842
  456    HA   ARG  61           HA       ARG  61   5.884   2.701   2.701
  457   1HB   ARG  61           HB2      ARG  61   4.920   5.277   5.277
  458   2HB   ARG  61           HB1      ARG  61   3.657   4.304   4.304
  459   1HG   ARG  61           HG1      ARG  61   5.357   3.960   3.960
  460   2HG   ARG  61           HG2      ARG  61   6.221   5.325   5.325
  461   1HD   ARG  61           HD2      ARG  61   4.261   6.759   6.759
  462   2HD   ARG  61           HD1      ARG  61   3.294   5.385   5.385
  463    HE   ARG  61           HE       ARG  61   5.786   6.097   6.097
  464   1HH1  ARG  61          HH11      ARG  61   2.552   6.980   6.980
  465   2HH1  ARG  61          HH12      ARG  61   2.206   6.609   6.609
  466   1HH2  ARG  61          HH21      ARG  61   5.272   5.094   5.094
  467   2HH2  ARG  61          HH22      ARG  61   3.746   5.541   5.541
  468    H    LEU  62           HN       LEU  62   3.943   1.395   1.395
  469    HA   LEU  62           HA       LEU  62   2.692   0.633   0.633
  470   1HB   LEU  62           HB1      LEU  62   3.943  -0.888  -0.888
  471   2HB   LEU  62           HB2      LEU  62   2.486  -1.597  -1.597
  472    HG   LEU  62           HG       LEU  62   3.513  -1.360  -1.360
  473   1HD1  LEU  62          HD13      LEU  62   5.651  -0.123  -0.123
  474   2HD1  LEU  62          HD12      LEU  62   6.168  -1.119  -1.119
  475   3HD1  LEU  62          HD11      LEU  62   5.130   0.280   0.280
  476   1HD2  LEU  62          HD21      LEU  62   4.196  -3.194  -3.194
  477   2HD2  LEU  62          HD23      LEU  62   4.152  -3.489  -3.489
  478   3HD2  LEU  62          HD22      LEU  62   5.638  -2.917  -2.917
  479    H    ALA  63           HN       ALA  63   0.415   0.194   0.194
  480    HA   ALA  63           HA       ALA  63  -0.978   0.432   0.432
  481   1HB   ALA  63           HB1      ALA  63  -0.573   2.591   2.591
  482   2HB   ALA  63           HB3      ALA  63  -2.295   2.254   2.254
  483   3HB   ALA  63           HB2      ALA  63  -1.327   2.642   2.642
  484    H    LYS  64           HN       LYS  64  -3.212  -0.230  -0.230
  485    HA   LYS  64           HA       LYS  64  -4.090  -1.405  -1.405
  486   1HB   LYS  64           HB2      LYS  64  -4.823  -3.409  -3.409
  487   2HB   LYS  64           HB1      LYS  64  -3.077  -3.196  -3.196
  488   1HG   LYS  64           HG2      LYS  64  -2.907  -2.774  -2.774
  489   2HG   LYS  64           HG1      LYS  64  -4.353  -1.765  -1.765
  490   1HD   LYS  64           HD2      LYS  64  -4.684  -3.810  -3.810
  491   2HD   LYS  64           HD1      LYS  64  -5.771  -3.779  -3.779
  492   1HE   LYS  64           HE2      LYS  64  -4.882  -5.705  -5.705
  493   2HE   LYS  64           HE1      LYS  64  -3.244  -5.027  -5.027
  494   1HZ   LYS  64           HZ3      LYS  64  -4.738  -5.920  -5.920
  495   2HZ   LYS  64           HZ2      LYS  64  -3.705  -6.957  -6.957
  496   3HZ   LYS  64           HZ1      LYS  64  -3.086  -5.559  -5.559
  497    H    VAL  65           HN       VAL  65  -6.449  -1.779  -1.779
  498    HA   VAL  65           HA       VAL  65  -8.016  -0.347  -0.347
  499    HB   VAL  65           HB       VAL  65  -7.521   1.298   1.298
  500   1HG1  VAL  65          HG23      VAL  65  -6.899  -0.298  -0.298
  501   2HG1  VAL  65          HG22      VAL  65  -8.592  -0.760  -0.760
  502   3HG1  VAL  65          HG21      VAL  65  -8.077   0.877   0.877
  503   1HG2  VAL  65          HG11      VAL  65  -9.842   1.277   1.277
  504   2HG2  VAL  65          HG13      VAL  65  -9.793   1.815   1.815
  505   3HG2  VAL  65          HG12      VAL  65 -10.311   0.172   0.172
  506    H    ASP  66           HN       ASP  66 -10.322  -0.897  -0.897
  507    HA   ASP  66           HA       ASP  66 -10.772  -3.647  -3.647
  508   1HB   ASP  66           HB1      ASP  66 -12.259  -1.786  -1.786
  509   2HB   ASP  66           HB2      ASP  66 -12.825  -3.404  -3.404
  510    H    ALA  67           HN       ALA  67 -11.094  -3.202  -3.202
  511    HA   ALA  67           HA       ALA  67 -12.549  -1.191  -1.191
  512   1HB   ALA  67           HB2      ALA  67 -11.463  -3.715  -3.715
  513   2HB   ALA  67           HB1      ALA  67 -13.138  -3.791  -3.791
  514   3HB   ALA  67           HB3      ALA  67 -12.069  -2.528  -2.528
  515    H    THR  68           HN       THR  68 -13.829  -3.863  -3.863
  516    HA   THR  68           HA       THR  68 -16.575  -3.565  -3.565
  517    HB   THR  68           HB       THR  68 -16.930  -5.080  -5.080
  518    HG1  THR  68           HG1      THR  68 -15.253  -4.789  -4.789
  519   1HG2  THR  68          HG21      THR  68 -15.006  -5.788  -5.788
  520   2HG2  THR  68          HG23      THR  68 -15.681  -6.981  -6.981
  521   3HG2  THR  68          HG22      THR  68 -16.747  -6.065  -6.065
  522    H    GLU  69           HN       GLU  69 -14.629  -2.277  -2.277
  523    HA   GLU  69           HA       GLU  69 -17.006  -1.038  -1.038
  524   1HB   GLU  69           HB2      GLU  69 -14.811  -2.218  -2.218
  525   2HB   GLU  69           HB1      GLU  69 -14.199  -0.568  -0.568
  526   1HG   GLU  69           HG1      GLU  69 -16.920  -0.974  -0.974
  527   2HG   GLU  69           HG2      GLU  69 -15.526  -1.418  -1.418
  528    H    GLU  70           HN       GLU  70 -13.793   0.044   0.044
  529    HA   GLU  70           HA       GLU  70 -14.841   2.816   2.816
  530   1HB   GLU  70           HB2      GLU  70 -12.085   1.585   1.585
  531   2HB   GLU  70           HB1      GLU  70 -12.428   3.314   3.314
  532   1HG   GLU  70           HG2      GLU  70 -12.455   3.392   3.392
  533   2HG   GLU  70           HG1      GLU  70 -13.628   2.078   2.078
  534    H    SER  71           HN       SER  71 -15.863   0.848   0.848
  535    HA   SER  71           HA       SER  71 -14.579   0.662   0.662
  536   1HB   SER  71           HB2      SER  71 -16.792   0.205   0.205
  537   2HB   SER  71           HB1      SER  71 -16.758  -0.350  -0.350
  538    HG   SER  71           HG       SER  71 -18.589   0.890   0.890
  539    H    ASP  72           HN       ASP  72 -16.029   3.439   3.439
  540    HA   ASP  72           HA       ASP  72 -16.759   5.137   5.137
  541   1HB   ASP  72           HB2      ASP  72 -15.785   5.313   5.313
  542   2HB   ASP  72           HB1      ASP  72 -15.262   6.704   6.704
  543    H    LEU  73           HN       LEU  73 -13.458   4.321   4.321
  544    HA   LEU  73           HA       LEU  73 -12.238   6.217   6.217
  545   1HB   LEU  73           HB2      LEU  73 -11.055   3.923   3.923
  546   2HB   LEU  73           HB1      LEU  73 -10.163   5.267   5.267
  547    HG   LEU  73           HG       LEU  73 -12.275   6.350   6.350
  548   1HD1  LEU  73          HD11      LEU  73 -11.701   3.880   3.880
  549   2HD1  LEU  73          HD13      LEU  73 -10.492   4.854   4.854
  550   3HD1  LEU  73          HD12      LEU  73 -12.204   5.243   5.243
  551   1HD2  LEU  73          HD22      LEU  73  -9.255   6.273   6.273
  552   2HD2  LEU  73          HD21      LEU  73 -10.272   7.584   7.584
  553   3HD2  LEU  73          HD23      LEU  73 -10.243   7.206   7.206
  554    H    ALA  74           HN       ALA  74 -12.675   2.691   2.691
  555    HA   ALA  74           HA       ALA  74 -11.265   2.013   2.013
  556   1HB   ALA  74           HB1      ALA  74 -13.326   0.796   0.796
  557   2HB   ALA  74           HB3      ALA  74 -13.028   0.021   0.021
  558   3HB   ALA  74           HB2      ALA  74 -11.710   0.213   0.213
  559    H    GLN  75           HN       GLN  75 -14.656   2.904   2.904
  560    HA   GLN  75           HA       GLN  75 -15.706   2.336   2.336
  561   1HB   GLN  75           HB2      GLN  75 -16.965   2.888   2.888
  562   2HB   GLN  75           HB1      GLN  75 -16.436   4.563   4.563
  563   1HG   GLN  75           HG2      GLN  75 -18.320   4.853   4.853
  564   2HG   GLN  75           HG1      GLN  75 -17.448   4.011   4.011
  565   1HE2  GLN  75          HE22      GLN  75 -19.223   0.923   0.923
  566   2HE2  GLN  75          HE21      GLN  75 -17.754   1.572   1.572
  567    H    GLN  76           HN       GLN  76 -13.745   4.995   4.995
  568    HA   GLN  76           HA       GLN  76 -14.248   6.925   6.925
  569   1HB   GLN  76           HB2      GLN  76 -12.680   6.633   6.633
  570   2HB   GLN  76           HB1      GLN  76 -11.488   6.750   6.750
  571   1HG   GLN  76           HG1      GLN  76 -12.440   8.841   8.841
  572   2HG   GLN  76           HG2      GLN  76 -13.791   8.689   8.689
  573   1HE2  GLN  76          HE22      GLN  76 -11.802  10.793  10.793
  574   2HE2  GLN  76          HE21      GLN  76 -13.141  10.744  10.744
  575    H    TYR  77           HN       TYR  77 -12.050   4.144   4.144
  576    HA   TYR  77           HA       TYR  77 -11.041   4.771   4.771
  577   1HB   TYR  77           HB1      TYR  77 -10.302   2.737   2.737
  578   2HB   TYR  77           HB2      TYR  77  -9.450   2.933   2.933
  579    HD1  TYR  77           HD2      TYR  77  -8.582   5.332   5.332
  580    HD2  TYR  77           HD1      TYR  77  -9.680   4.028   4.028
  581    HE1  TYR  77           HE2      TYR  77  -7.245   7.175   7.175
  582    HE2  TYR  77           HE1      TYR  77  -8.344   5.872   5.872
  583    HH   TYR  77           HH       TYR  77  -6.047   7.535   7.535
  584    H    GLY  78           HN       GLY  78 -12.827   2.302   2.302
  585   1HA   GLY  78           HA1      GLY  78 -14.701   1.306   1.306
  586   2HA   GLY  78           HA2      GLY  78 -13.372   0.872   0.872
  587    H    VAL  79           HN       VAL  79 -11.524  -0.324  -0.324
  588    HA   VAL  79           HA       VAL  79 -10.927  -2.372  -2.372
  589    HB   VAL  79           HB       VAL  79 -12.749  -1.107  -1.107
  590   1HG1  VAL  79          HG12      VAL  79 -11.985  -3.499  -3.499
  591   2HG1  VAL  79          HG11      VAL  79 -10.334  -2.881  -2.881
  592   3HG1  VAL  79          HG13      VAL  79 -11.497  -2.349  -2.349
  593   1HG2  VAL  79          HG22      VAL  79 -10.168  -0.332  -0.332
  594   2HG2  VAL  79          HG21      VAL  79 -11.251   0.584   0.584
  595   3HG2  VAL  79          HG23      VAL  79 -10.093  -0.546  -0.546
  596    H    ARG  80           HN       ARG  80 -12.030  -3.930  -3.930
  597    HA   ARG  80           HA       ARG  80 -14.796  -4.686  -4.686
  598   1HB   ARG  80           HB2      ARG  80 -13.183  -4.665  -4.665
  599   2HB   ARG  80           HB1      ARG  80 -14.091  -6.162  -6.162
  600   1HG   ARG  80           HG2      ARG  80 -16.114  -4.661  -4.661
  601   2HG   ARG  80           HG1      ARG  80 -15.154  -3.336  -3.336
  602   1HD   ARG  80           HD2      ARG  80 -16.037  -3.989  -3.989
  603   2HD   ARG  80           HD1      ARG  80 -14.839  -5.295  -5.295
  604    HE   ARG  80           HE       ARG  80 -16.778  -6.424  -6.424
  605   1HH1  ARG  80          HH11      ARG  80 -18.842  -4.482  -4.482
  606   2HH1  ARG  80          HH12      ARG  80 -19.499  -5.222  -5.222
  607   1HH2  ARG  80          HH21      ARG  80 -16.831  -7.398  -7.398
  608   2HH2  ARG  80          HH22      ARG  80 -18.360  -6.873  -6.873
  609    H    GLY  81           HN       GLY  81 -11.678  -5.572  -5.572
  610   1HA   GLY  81           HA2      GLY  81 -12.550  -8.105  -8.105
  611   2HA   GLY  81           HA1      GLY  81 -11.460  -8.329  -8.329
  612    H    TYR  82           HN       TYR  82 -10.987  -8.937  -8.937
  613    HA   TYR  82           HA       TYR  82  -8.794  -6.999  -6.999
  614   1HB   TYR  82           HB2      TYR  82 -10.106  -9.130  -9.130
  615   2HB   TYR  82           HB1      TYR  82  -9.049  -7.833  -7.833
  616    HD1  TYR  82           HD1      TYR  82 -10.040  -5.523  -5.523
  617    HD2  TYR  82           HD2      TYR  82 -12.209  -8.682  -8.682
  618    HE1  TYR  82           HE1      TYR  82 -11.999  -4.024  -4.024
  619    HE2  TYR  82           HE2      TYR  82 -14.168  -7.182  -7.182
  620    HH   TYR  82           HH       TYR  82 -14.333  -4.370  -4.370
  621    HA   PRO  83           HA       PRO  83  -7.362  -7.142  -7.142
  622   1HB   PRO  83           HB2      PRO  83  -4.648  -7.127  -7.127
  623   2HB   PRO  83           HB1      PRO  83  -5.725  -8.153  -8.153
  624   1HG   PRO  83           HG1      PRO  83  -3.857  -8.890  -8.890
  625   2HG   PRO  83           HG2      PRO  83  -4.597  -9.898  -9.898
  626   1HD   PRO  83           HD1      PRO  83  -5.349  -9.629  -9.629
  627   2HD   PRO  83           HD2      PRO  83  -6.041 -10.701 -10.701
  628    H    THR  84           HN       THR  84  -6.615  -4.970  -4.970
  629    HA   THR  84           HA       THR  84  -5.438  -4.635  -4.635
  630    HB   THR  84           HB       THR  84  -7.372  -2.813  -2.813
  631    HG1  THR  84           HG1      THR  84  -7.778  -4.918  -4.918
  632   1HG2  THR  84          HG22      THR  84  -5.822  -2.013  -2.013
  633   2HG2  THR  84          HG21      THR  84  -6.898  -2.959  -2.959
  634   3HG2  THR  84          HG23      THR  84  -7.541  -1.624  -1.624
  635    H    ILE  85           HN       ILE  85  -3.276  -4.350  -4.350
  636    HA   ILE  85           HA       ILE  85  -2.656  -2.511  -2.511
  637    HB   ILE  85           HB       ILE  85  -0.873  -3.812  -3.812
  638   1HG1  ILE  85          HG11      ILE  85  -2.256  -5.500  -5.500
  639   2HG1  ILE  85          HG12      ILE  85  -0.584  -5.609  -5.609
  640   1HG2  ILE  85          HG22      ILE  85   0.184  -2.010  -2.010
  641   2HG2  ILE  85          HG21      ILE  85  -0.316  -2.815  -2.815
  642   3HG2  ILE  85          HG23      ILE  85   0.855  -3.587  -3.587
  643   1HD1  ILE  85          HD11      ILE  85  -1.614  -3.787  -3.787
  644   2HD1  ILE  85          HD13      ILE  85  -3.013  -4.825  -4.825
  645   3HD1  ILE  85          HD12      ILE  85  -1.504  -5.519  -5.519
  646    H    LYS  86           HN       LYS  86  -1.879  -0.410  -0.410
  647    HA   LYS  86           HA       LYS  86  -1.434   0.692   0.692
  648   1HB   LYS  86           HB2      LYS  86  -3.756   1.025   1.025
  649   2HB   LYS  86           HB1      LYS  86  -2.843   2.508   2.508
  650   1HG   LYS  86           HG1      LYS  86  -3.739   3.199   3.199
  651   2HG   LYS  86           HG2      LYS  86  -2.515   2.163   2.163
  652   1HD   LYS  86           HD2      LYS  86  -4.286   0.266   0.266
  653   2HD   LYS  86           HD1      LYS  86  -5.433   1.599   1.599
  654   1HE   LYS  86           HE2      LYS  86  -5.507   1.590   1.590
  655   2HE   LYS  86           HE1      LYS  86  -3.865   2.258   2.258
  656   1HZ   LYS  86           HZ2      LYS  86  -4.432  -0.643  -0.643
  657   2HZ   LYS  86           HZ1      LYS  86  -4.130   0.078   0.078
  658   3HZ   LYS  86           HZ3      LYS  86  -2.935   0.102   0.102
  659    H    PHE  87           HN       PHE  87   0.163   2.323   2.323
  660    HA   PHE  87           HA       PHE  87   1.512   2.841   2.841
  661   1HB   PHE  87           HB1      PHE  87   2.833   1.581   1.581
  662   2HB   PHE  87           HB2      PHE  87   2.519   2.792   2.792
  663    HD1  PHE  87           HD1      PHE  87   3.421   3.154   3.154
  664    HD2  PHE  87           HD2      PHE  87   4.554   3.866   3.866
  665    HE1  PHE  87           HE1      PHE  87   5.379   4.467   4.467
  666    HE2  PHE  87           HE2      PHE  87   6.513   5.176   5.176
  667    HZ   PHE  87           HZ       PHE  87   6.923   5.477   5.477
  668    H    PHE  88           HN       PHE  88   1.516   4.935   4.935
  669    HA   PHE  88           HA       PHE  88   0.725   7.086   7.086
  670   1HB   PHE  88           HB2      PHE  88   0.440   6.704   6.704
  671   2HB   PHE  88           HB1      PHE  88   0.039   8.208   8.208
  672    HD1  PHE  88           HD2      PHE  88  -1.698   8.160   8.160
  673    HD2  PHE  88           HD1      PHE  88  -1.059   4.872   4.872
  674    HE1  PHE  88           HE2      PHE  88  -3.913   7.227   7.227
  675    HE2  PHE  88           HE1      PHE  88  -3.275   3.941   3.941
  676    HZ   PHE  88           HZ       PHE  88  -4.702   5.119   5.119
  677    H    ARG  89           HN       ARG  89   2.574   8.171   8.171
  678    HA   ARG  89           HA       ARG  89   4.920   8.332   8.332
  679   1HB   ARG  89           HB1      ARG  89   4.887   7.884   7.884
  680   2HB   ARG  89           HB2      ARG  89   4.492   9.592   9.592
  681   1HG   ARG  89           HG2      ARG  89   6.628   9.627   9.627
  682   2HG   ARG  89           HG1      ARG  89   7.057   8.338   8.338
  683   1HD   ARG  89           HD2      ARG  89   7.859  10.105  10.105
  684   2HD   ARG  89           HD1      ARG  89   6.162  10.228  10.228
  685    HE   ARG  89           HE       ARG  89   6.576  11.608  11.608
  686   1HH1  ARG  89          HH11      ARG  89   4.965  12.545  12.545
  687   2HH1  ARG  89          HH12      ARG  89   5.871  13.939  13.939
  688   1HH2  ARG  89          HH21      ARG  89   8.676  13.091  13.091
  689   2HH2  ARG  89          HH22      ARG  89   7.973  14.247  14.247
  690    H    ASN  90           HN       ASN  90   4.449   9.816   9.816
  691    HA   ASN  90           HA       ASN  90   4.018  11.917  11.917
  692   1HB   ASN  90           HB2      ASN  90   6.085  12.295  12.295
  693   2HB   ASN  90           HB1      ASN  90   5.091  12.775  12.775
  694   1HD2  ASN  90          HD22      ASN  90   5.463  15.325  15.325
  695   2HD2  ASN  90          HD21      ASN  90   5.882  13.690  13.690
  696    H    GLY  91           HN       GLY  91   1.617  11.163  11.163
  697   1HA   GLY  91           HA2      GLY  91  -0.549  11.896  11.896
  698   2HA   GLY  91           HA1      GLY  91   0.157  13.476  13.476
  699    H    ASP  92           HN       ASP  92  -0.991  10.516  10.516
  700    HA   ASP  92           HA       ASP  92  -0.628  11.698  11.698
  701   1HB   ASP  92           HB1      ASP  92   0.880   9.604   9.604
  702   2HB   ASP  92           HB2      ASP  92  -0.285   8.810   8.810
  703    H    THR  93           HN       THR  93  -2.899  11.110  11.110
  704    HA   THR  93           HA       THR  93  -4.597   9.035   9.035
  705    HB   THR  93           HB       THR  93  -6.381  10.541  10.541
  706    HG1  THR  93           HG1      THR  93  -6.096  12.575  12.575
  707   1HG2  THR  93          HG22      THR  93  -4.227   9.545   9.545
  708   2HG2  THR  93          HG21      THR  93  -4.174  11.251  11.251
  709   3HG2  THR  93          HG23      THR  93  -5.629  10.303  10.303
  710    H    ALA  94           HN       ALA  94  -3.808  11.983  11.983
  711    HA   ALA  94           HA       ALA  94  -6.053  12.025  12.025
  712   1HB   ALA  94           HB2      ALA  94  -3.222  13.086  13.086
  713   2HB   ALA  94           HB1      ALA  94  -4.351  13.401  13.401
  714   3HB   ALA  94           HB3      ALA  94  -4.710  13.978  13.978
  715    H    SER  95           HN       SER  95  -2.811  10.580  10.580
  716    HA   SER  95           HA       SER  95  -3.790   8.562   8.562
  717   1HB   SER  95           HB1      SER  95  -3.386  10.305  10.305
  718   2HB   SER  95           HB2      SER  95  -1.934  10.837  10.837
  719    HG   SER  95           HG       SER  95  -2.239   8.913   8.913
  720    HA   PRO  96           HA       PRO  96  -0.264   7.359   7.359
  721   1HB   PRO  96           HB2      PRO  96  -1.445   5.104   5.104
  722   2HB   PRO  96           HB1      PRO  96  -1.655   6.711   6.711
  723   1HG   PRO  96           HG2      PRO  96  -3.477   5.175   5.175
  724   2HG   PRO  96           HG1      PRO  96  -3.863   6.204   6.204
  725   1HD   PRO  96           HD2      PRO  96  -4.136   7.002   7.002
  726   2HD   PRO  96           HD1      PRO  96  -3.843   8.118   8.118
  727    H    LYS  97           HN       LYS  97   0.888   5.136   5.136
  728    HA   LYS  97           HA       LYS  97   0.764   4.073   4.073
  729   1HB   LYS  97           HB1      LYS  97   2.779   4.044   4.044
  730   2HB   LYS  97           HB2      LYS  97   3.013   3.122   3.122
  731   1HG   LYS  97           HG2      LYS  97   2.260   5.974   5.974
  732   2HG   LYS  97           HG1      LYS  97   3.872   5.673   5.673
  733   1HD   LYS  97           HD2      LYS  97   4.482   4.339   4.339
  734   2HD   LYS  97           HD1      LYS  97   2.817   4.286   4.286
  735   1HE   LYS  97           HE2      LYS  97   3.831   5.949   5.949
  736   2HE   LYS  97           HE1      LYS  97   3.017   6.894   6.894
  737   1HZ   LYS  97           HZ3      LYS  97   5.837   5.962   5.962
  738   2HZ   LYS  97           HZ2      LYS  97   5.356   7.545   7.545
  739   3HZ   LYS  97           HZ1      LYS  97   5.048   6.913   6.913
  740    H    GLU  98           HN       GLU  98   1.312   1.620   1.620
  741    HA   GLU  98           HA       GLU  98  -0.339   0.198   0.198
  742   1HB   GLU  98           HB2      GLU  98  -1.179   0.290   0.290
  743   2HB   GLU  98           HB1      GLU  98   0.291  -0.530  -0.530
  744   1HG   GLU  98           HG2      GLU  98  -1.761  -2.019  -2.019
  745   2HG   GLU  98           HG1      GLU  98  -0.266  -2.515  -2.515
  746    H    TYR  99           HN       TYR  99   0.862  -1.078  -1.078
  747    HA   TYR  99           HA       TYR  99   3.649  -1.597  -1.597
  748   1HB   TYR  99           HB2      TYR  99   2.581  -1.647  -1.647
  749   2HB   TYR  99           HB1      TYR  99   1.414  -2.853  -2.853
  750    HD1  TYR  99           HD1      TYR  99   5.155  -2.498  -2.498
  751    HD2  TYR  99           HD2      TYR  99   1.781  -4.977  -4.977
  752    HE1  TYR  99           HE1      TYR  99   6.689  -4.295  -4.295
  753    HE2  TYR  99           HE2      TYR  99   3.319  -6.778  -6.778
  754    HH   TYR  99           HH       TYR  99   6.533  -6.283  -6.283
  755    H    THR 100           HN       THR 100   4.735  -3.262  -3.262
  756    HA   THR 100           HA       THR 100   3.080  -5.391  -5.391
  757    HB   THR 100           HB       THR 100   5.045  -5.330  -5.330
  758    HG1  THR 100           HG1      THR 100   5.464  -2.801  -2.801
  759   1HG2  THR 100          HG23      THR 100   2.774  -3.583  -3.583
  760   2HG2  THR 100          HG22      THR 100   4.083  -2.717  -2.717
  761   3HG2  THR 100          HG21      THR 100   3.465  -4.220  -4.220
  762    H    ALA 101           HN       ALA 101   6.373  -6.016  -6.016
  763    HA   ALA 101           HA       ALA 101   7.752  -7.695  -7.695
  764   1HB   ALA 101           HB3      ALA 101   7.735  -5.676  -5.676
  765   2HB   ALA 101           HB2      ALA 101   6.649  -6.636  -6.636
  766   3HB   ALA 101           HB1      ALA 101   8.281  -7.213  -7.213
  767    H    GLY 102           HN       GLY 102   7.125  -8.937  -8.937
  768   1HA   GLY 102           HA2      GLY 102   5.197 -10.936 -10.936
  769   2HA   GLY 102           HA1      GLY 102   6.223 -11.123 -11.123
  770    H    ARG 103           HN       ARG 103   5.297 -10.765 -10.765
  771    HA   ARG 103           HA       ARG 103   3.267  -8.798  -8.798
  772   1HB   ARG 103           HB2      ARG 103   2.450 -11.266 -11.266
  773   2HB   ARG 103           HB1      ARG 103   1.797 -11.208 -11.208
  774   1HG   ARG 103           HG2      ARG 103   1.577  -8.891  -8.891
  775   2HG   ARG 103           HG1      ARG 103   0.339 -10.139 -10.139
  776   1HD   ARG 103           HD2      ARG 103   0.924  -9.333  -9.333
  777   2HD   ARG 103           HD1      ARG 103   0.760  -7.844  -7.844
  778    HE   ARG 103           HE       ARG 103  -1.372  -9.084  -9.084
  779   1HH1  ARG 103          HH21      ARG 103  -2.183 -11.187 -11.187
  780   2HH1  ARG 103          HH22      ARG 103  -2.788 -10.666 -10.666
  781   1HH2  ARG 103          HH11      ARG 103  -1.250  -7.560  -7.560
  782   2HH2  ARG 103          HH12      ARG 103  -2.261  -8.612  -8.612
  783    H    GLU 104           HN       GLU 104   5.651  -9.578  -9.578
  784    HA   GLU 104           HA       GLU 104   4.580 -10.651 -10.651
  785   1HB   GLU 104           HB2      GLU 104   7.024 -11.428 -11.428
  786   2HB   GLU 104           HB1      GLU 104   6.889 -11.786 -11.786
  787   1HG   GLU 104           HG2      GLU 104   4.894 -13.105 -13.105
  788   2HG   GLU 104           HG1      GLU 104   4.814 -12.603 -12.603
  789    H    ALA 105           HN       ALA 105   6.407 -10.292 -10.292
  790    HA   ALA 105           HA       ALA 105   6.786  -7.512  -7.512
  791   1HB   ALA 105           HB2      ALA 105   7.177  -9.920  -9.920
  792   2HB   ALA 105           HB1      ALA 105   8.798  -9.231  -9.231
  793   3HB   ALA 105           HB3      ALA 105   7.494  -8.312  -8.312
  794    H    ASP 106           HN       ASP 106   8.924  -9.913  -9.913
  795    HA   ASP 106           HA       ASP 106  11.145  -8.012  -8.012
  796   1HB   ASP 106           HB1      ASP 106  12.048 -10.001 -10.001
  797   2HB   ASP 106           HB2      ASP 106  10.560 -10.830 -10.830
  798    H    ASP 107           HN       ASP 107   8.873  -9.578  -9.578
  799    HA   ASP 107           HA       ASP 107   9.882  -8.321  -8.321
  800   1HB   ASP 107           HB2      ASP 107   7.430  -9.733  -9.733
  801   2HB   ASP 107           HB1      ASP 107   7.248  -8.729  -8.729
  802    H    ILE 108           HN       ILE 108   7.752  -7.173  -7.173
  803    HA   ILE 108           HA       ILE 108   6.779  -4.858  -4.858
  804    HB   ILE 108           HB       ILE 108   6.704  -5.734  -5.734
  805   1HG1  ILE 108          HG12      ILE 108   4.505  -5.573  -5.573
  806   2HG1  ILE 108          HG11      ILE 108   5.420  -7.043  -7.043
  807   1HG2  ILE 108          HG22      ILE 108   5.895  -3.193  -3.193
  808   2HG2  ILE 108          HG21      ILE 108   4.687  -3.921  -3.921
  809   3HG2  ILE 108          HG23      ILE 108   6.287  -3.520  -3.520
  810   1HD1  ILE 108          HD11      ILE 108   4.727  -6.804  -6.804
  811   2HD1  ILE 108          HD13      ILE 108   3.642  -5.509  -5.509
  812   3HD1  ILE 108          HD12      ILE 108   3.402  -7.149  -7.149
  813    H    VAL 109           HN       VAL 109   9.007  -5.302  -5.302
  814    HA   VAL 109           HA       VAL 109   9.849  -2.568  -2.568
  815    HB   VAL 109           HB       VAL 109  11.167  -5.190  -5.190
  816   1HG1  VAL 109          HG23      VAL 109  12.109  -2.432  -2.432
  817   2HG1  VAL 109          HG22      VAL 109  12.031  -3.171  -3.171
  818   3HG1  VAL 109          HG21      VAL 109  12.986  -3.927  -3.927
  819   1HG2  VAL 109          HG13      VAL 109   8.841  -4.156  -4.156
  820   2HG2  VAL 109          HG12      VAL 109   9.949  -5.097  -5.097
  821   3HG2  VAL 109          HG11      VAL 109   9.989  -3.335  -3.335
  822    H    ASN 110           HN       ASN 110  10.997  -5.321  -5.321
  823    HA   ASN 110           HA       ASN 110  13.430  -4.086  -4.086
  824   1HB   ASN 110           HB1      ASN 110  11.674  -6.402  -6.402
  825   2HB   ASN 110           HB2      ASN 110  12.966  -5.924  -5.924
  826   1HD2  ASN 110          HD22      ASN 110  14.037  -7.259  -7.259
  827   2HD2  ASN 110          HD21      ASN 110  12.547  -6.469  -6.469
  828    H    TRP 111           HN       TRP 111  10.121  -4.251  -4.251
  829    HA   TRP 111           HA       TRP 111  10.731  -2.968  -2.968
  830   1HB   TRP 111           HB2      TRP 111   8.717  -4.351  -4.351
  831   2HB   TRP 111           HB1      TRP 111   8.150  -3.051  -3.051
  832    HD1  TRP 111           HD1      TRP 111   8.477  -4.046  -4.046
  833    HE1  TRP 111           HE1      TRP 111   7.329  -2.277  -2.277
  834    HE3  TRP 111           HE3      TRP 111   7.554  -0.434  -0.434
  835    HZ2  TRP 111           HZ2      TRP 111   6.168   0.323   0.323
  836    HZ3  TRP 111           HZ3      TRP 111   6.428   1.677   1.677
  837    HH2  TRP 111           HH2      TRP 111   5.734   2.059   2.059
  838    H    LEU 112           HN       LEU 112  10.049  -1.770  -1.770
  839    HA   LEU 112           HA       LEU 112   9.713   1.007   1.007
  840   1HB   LEU 112           HB2      LEU 112   8.197   0.291   0.291
  841   2HB   LEU 112           HB1      LEU 112   9.490  -0.442  -0.442
  842    HG   LEU 112           HG       LEU 112   9.851   2.440   2.440
  843   1HD1  LEU 112          HD21      LEU 112   7.387   2.333   2.333
  844   2HD1  LEU 112          HD23      LEU 112   7.620   1.472   1.472
  845   3HD1  LEU 112          HD22      LEU 112   8.173   3.139   3.139
  846   1HD2  LEU 112          HD11      LEU 112  10.725   0.445   0.445
  847   2HD2  LEU 112          HD13      LEU 112  11.138   2.160   2.160
  848   3HD2  LEU 112          HD12      LEU 112   9.764   1.561   1.561
  849    H    LYS 113           HN       LYS 113  11.978  -0.908  -0.908
  850    HA   LYS 113           HA       LYS 113  13.756   1.364   1.364
  851   1HB   LYS 113           HB2      LYS 113  13.321  -0.346  -0.346
  852   2HB   LYS 113           HB1      LYS 113  13.896  -1.602  -1.602
  853   1HG   LYS 113           HG2      LYS 113  15.765   0.610   0.610
  854   2HG   LYS 113           HG1      LYS 113  15.449  -0.274  -0.274
  855   1HD   LYS 113           HD2      LYS 113  15.754  -2.103  -2.103
  856   2HD   LYS 113           HD1      LYS 113  17.170  -1.058  -1.058
  857   1HE   LYS 113           HE2      LYS 113  15.973  -2.520  -2.520
  858   2HE   LYS 113           HE1      LYS 113  17.304  -3.174  -3.174
  859   1HZ   LYS 113           HZ1      LYS 113  18.428  -0.972  -0.972
  860   2HZ   LYS 113           HZ3      LYS 113  17.251  -0.621  -0.621
  861   3HZ   LYS 113           HZ2      LYS 113  18.302  -1.937  -1.937
  862    H    LYS 114           HN       LYS 114  13.215  -0.566  -0.566
  863    HA   LYS 114           HA       LYS 114  15.713  -1.551  -1.551
  864   1HB   LYS 114           HB2      LYS 114  13.151  -1.164  -1.164
  865   2HB   LYS 114           HB1      LYS 114  14.171  -0.201  -0.201
  866   1HG   LYS 114           HG2      LYS 114  14.950  -3.015  -3.015
  867   2HG   LYS 114           HG1      LYS 114  13.827  -2.711  -2.711
  868   1HD   LYS 114           HD2      LYS 114  15.673  -0.975  -0.975
  869   2HD   LYS 114           HD1      LYS 114  16.729  -1.995  -1.995
  870   1HE   LYS 114           HE2      LYS 114  14.890  -3.143  -3.143
  871   2HE   LYS 114           HE1      LYS 114  16.565  -2.665  -2.665
  872   1HZ   LYS 114           HZ3      LYS 114  15.887  -4.378  -4.378
  873   2HZ   LYS 114           HZ2      LYS 114  16.170  -5.050  -5.050
  874   3HZ   LYS 114           HZ1      LYS 114  17.393  -4.167  -4.167
  875    H    ARG 115           HN       ARG 115  14.542   1.759   1.759
  876    HA   ARG 115           HA       ARG 115  17.193   2.882   2.882
  877   1HB   ARG 115           HB2      ARG 115  16.708   2.073   2.073
  878   2HB   ARG 115           HB1      ARG 115  15.356   3.205   3.205
  879   1HG   ARG 115           HG2      ARG 115  16.879   4.684   4.684
  880   2HG   ARG 115           HG1      ARG 115  17.408   4.814   4.814
  881   1HD   ARG 115           HD2      ARG 115  19.259   3.427   3.427
  882   2HD   ARG 115           HD1      ARG 115  18.519   2.609   2.609
  883    HE   ARG 115           HE       ARG 115  18.795   4.796   4.796
  884   1HH1  ARG 115          HH21      ARG 115  21.223   3.394   3.394
  885   2HH1  ARG 115          HH22      ARG 115  22.242   4.793   4.793
  886   1HH2  ARG 115          HH11      ARG 115  19.849   6.934   6.934
  887   2HH2  ARG 115          HH12      ARG 115  21.465   6.795   6.795
  888    H    THR 116           HN       THR 116  15.607   3.520   3.520
  889    HA   THR 116           HA       THR 116  14.431   5.264   5.264
  890    HB   THR 116           HB       THR 116  14.890   7.201   7.201
  891    HG1  THR 116           HG1      THR 116  16.692   6.271   6.271
  892   1HG2  THR 116          HG22      THR 116  15.492   6.850   6.850
  893   2HG2  THR 116          HG21      THR 116  16.386   8.070   8.070
  894   3HG2  THR 116          HG23      THR 116  14.626   8.153   8.153
  895    H    GLY 117           HN       GLY 117  12.920   3.524   3.524
  896   1HA   GLY 117           HA1      GLY 117  10.502   3.737   3.737
  897   2HA   GLY 117           HA2      GLY 117  10.754   5.430   5.430
  898    HA   PRO 118           HA       PRO 118  10.602   2.823   2.823
  899   1HB   PRO 118           HB1      PRO 118   8.499   4.118   4.118
  900   2HB   PRO 118           HB2      PRO 118   8.296   2.724   2.724
  901   1HG   PRO 118           HG2      PRO 118   7.949   5.630   5.630
  902   2HG   PRO 118           HG1      PRO 118   7.006   4.248   4.248
  903   1HD   PRO 118           HD2      PRO 118   8.889   5.537   5.537
  904   2HD   PRO 118           HD1      PRO 118   8.438   3.834   3.834
  905    H    ALA 119           HN       ALA 119  12.647   4.282   4.282
  906    HA   ALA 119           HA       ALA 119  13.972   5.896   5.896
  907   1HB   ALA 119           HB1      ALA 119  11.698   5.181   5.181
  908   2HB   ALA 119           HB3      ALA 119  12.797   6.472   6.472
  909   3HB   ALA 119           HB2      ALA 119  13.420   4.849   4.849
  910    H    ALA 120           HN       ALA 120  13.431   7.486   7.486
  911    HA   ALA 120           HA       ALA 120  12.036   9.846   9.846
  912   1HB   ALA 120           HB2      ALA 120  11.285   8.395   8.395
  913   2HB   ALA 120           HB1      ALA 120  10.706  10.011  10.011
  914   3HB   ALA 120           HB3      ALA 120  10.270   8.637   8.637

  Start of MODEL   20
    1   1H    ASP   1           HT1      ASP   1 -11.098   8.528   8.528
    2   2H    ASP   1           HT3      ASP   1 -11.550  10.024  10.024
    3   3H    ASP   1           HT2      ASP   1 -12.028   9.611   9.611
    4    HA   ASP   1           HA       ASP   1  -9.850   9.819   9.819
    5   1HB   ASP   1           HB2      ASP   1 -10.436  11.971  11.971
    6   2HB   ASP   1           HB1      ASP   1 -11.157  11.875  11.875
    7    H    ALA   2           HN       ALA   2  -9.983   9.133   9.133
    8    HA   ALA   2           HA       ALA   2  -7.451   9.798   9.798
    9   1HB   ALA   2           HB2      ALA   2  -9.595   8.458   8.458
   10   2HB   ALA   2           HB1      ALA   2  -8.565   7.074   7.074
   11   3HB   ALA   2           HB3      ALA   2  -8.021   8.301   8.301
   12    HA   PRO   3           HA       PRO   3  -4.664   7.439   7.439
   13   1HB   PRO   3           HB2      PRO   3  -2.543   7.271   7.271
   14   2HB   PRO   3           HB1      PRO   3  -2.967   8.757   8.757
   15   1HG   PRO   3           HG2      PRO   3  -3.518   7.982   7.982
   16   2HG   PRO   3           HG1      PRO   3  -3.075   9.559   9.559
   17   1HD   PRO   3           HD2      PRO   3  -5.623   8.873   8.873
   18   2HD   PRO   3           HD1      PRO   3  -5.231  10.086  10.086
   19    H    GLU   4           HN       GLU   4  -4.268   5.237   5.237
   20    HA   GLU   4           HA       GLU   4  -4.278   3.414   3.414
   21   1HB   GLU   4           HB2      GLU   4  -6.480   3.908   3.908
   22   2HB   GLU   4           HB1      GLU   4  -5.988   2.215   2.215
   23   1HG   GLU   4           HG1      GLU   4  -7.161   3.798   3.798
   24   2HG   GLU   4           HG2      GLU   4  -7.409   2.105   2.105
   25    H    GLU   5           HN       GLU   5  -3.534   1.223   1.223
   26    HA   GLU   5           HA       GLU   5  -2.445   0.874   0.874
   27   1HB   GLU   5           HB2      GLU   5  -0.153   0.379   0.379
   28   2HB   GLU   5           HB1      GLU   5  -0.619   2.060   2.060
   29   1HG   GLU   5           HG2      GLU   5  -1.616   1.000   1.000
   30   2HG   GLU   5           HG1      GLU   5   0.130   0.783   0.783
   31    H    GLU   6           HN       GLU   6  -1.375  -1.315  -1.315
   32    HA   GLU   6           HA       GLU   6  -2.362  -3.270  -3.270
   33   1HB   GLU   6           HB2      GLU   6  -3.151  -2.867  -2.867
   34   2HB   GLU   6           HB1      GLU   6  -2.908  -4.538  -4.538
   35   1HG   GLU   6           HG2      GLU   6  -4.382  -3.970  -3.970
   36   2HG   GLU   6           HG1      GLU   6  -4.818  -2.503  -2.503
   37    H    ASP   7           HN       ASP   7  -0.719  -4.670  -4.670
   38    HA   ASP   7           HA       ASP   7   1.373  -5.777  -5.777
   39   1HB   ASP   7           HB2      ASP   7  -0.181  -6.166  -6.166
   40   2HB   ASP   7           HB1      ASP   7   1.501  -6.696  -6.696
   41    H    HIS   8           HN       HIS   8   2.045  -3.201  -3.201
   42    HA   HIS   8           HA       HIS   8   3.686  -1.661  -1.661
   43   1HB   HIS   8           HB2      HIS   8   4.672  -4.223  -4.223
   44   2HB   HIS   8           HB1      HIS   8   4.960  -3.599  -3.599
   45    HD1  HIS   8           HD1      HIS   8   5.470  -0.610  -0.610
   46    HD2  HIS   8           HD2      HIS   8   7.280  -3.904  -3.904
   47    HE1  HIS   8           HE1      HIS   8   7.605   0.240   0.240
   48    H    VAL   9           HN       VAL   9   1.225  -2.457  -2.457
   49    HA   VAL   9           HA       VAL   9   2.253  -1.051  -1.051
   50    HB   VAL   9           HB       VAL   9   0.025  -3.110  -3.110
   51   1HG1  VAL   9          HG11      VAL   9   1.360  -1.593  -1.593
   52   2HG1  VAL   9          HG13      VAL   9   0.673  -3.187  -3.187
   53   3HG1  VAL   9          HG12      VAL   9  -0.358  -1.882  -1.882
   54   1HG2  VAL   9          HG21      VAL   9   2.798  -3.552  -3.552
   55   2HG2  VAL   9          HG23      VAL   9   1.560  -4.760  -4.760
   56   3HG2  VAL   9          HG22      VAL   9   2.390  -3.942  -3.942
   57    H    LEU  10           HN       LEU  10   0.378   0.188   0.188
   58    HA   LEU  10           HA       LEU  10  -1.311   1.383   1.383
   59   1HB   LEU  10           HB2      LEU  10   0.415   2.460   2.460
   60   2HB   LEU  10           HB1      LEU  10  -1.177   2.802   2.802
   61    HG   LEU  10           HG       LEU  10  -1.567   3.414   3.414
   62   1HD1  LEU  10          HD13      LEU  10   1.134   3.025   3.025
   63   2HD1  LEU  10          HD12      LEU  10   1.042   4.750   4.750
   64   3HD1  LEU  10          HD11      LEU  10   0.319   4.110   4.110
   65   1HD2  LEU  10          HD22      LEU  10  -1.952   4.745   4.745
   66   2HD2  LEU  10          HD21      LEU  10  -1.605   5.676   5.676
   67   3HD2  LEU  10          HD23      LEU  10  -0.336   5.403   5.403
   68    H    VAL  11           HN       VAL  11  -3.214   2.561   2.561
   69    HA   VAL  11           HA       VAL  11  -4.634   0.847   0.847
   70    HB   VAL  11           HB       VAL  11  -5.159  -0.065  -0.065
   71   1HG1  VAL  11          HG21      VAL  11  -5.601   2.844   2.844
   72   2HG1  VAL  11          HG23      VAL  11  -6.467   1.613   1.613
   73   3HG1  VAL  11          HG22      VAL  11  -4.703   1.637   1.637
   74   1HG2  VAL  11          HG11      VAL  11  -7.115   1.180   1.180
   75   2HG2  VAL  11          HG13      VAL  11  -7.207  -0.359  -0.359
   76   3HG2  VAL  11          HG12      VAL  11  -7.699   1.130   1.130
   77    H    LEU  12           HN       LEU  12  -6.322   2.076   2.076
   78    HA   LEU  12           HA       LEU  12  -6.062   5.025   5.025
   79   1HB   LEU  12           HB1      LEU  12  -6.017   3.277   3.277
   80   2HB   LEU  12           HB2      LEU  12  -7.440   4.290   4.290
   81    HG   LEU  12           HG       LEU  12  -6.119   6.301   6.301
   82   1HD1  LEU  12          HD13      LEU  12  -4.043   4.414   4.414
   83   2HD1  LEU  12          HD12      LEU  12  -3.481   5.775   5.775
   84   3HD1  LEU  12          HD11      LEU  12  -4.403   6.065   6.065
   85   1HD2  LEU  12          HD21      LEU  12  -6.152   4.948   4.948
   86   2HD2  LEU  12          HD23      LEU  12  -4.833   6.110   6.110
   87   3HD2  LEU  12          HD22      LEU  12  -4.533   4.394   4.394
   88    H    ARG  13           HN       ARG  13  -8.172   6.005   6.005
   89    HA   ARG  13           HA       ARG  13 -10.698   4.756   4.756
   90   1HB   ARG  13           HB2      ARG  13  -9.155   6.248   6.248
   91   2HB   ARG  13           HB1      ARG  13 -10.556   7.231   7.231
   92   1HG   ARG  13           HG2      ARG  13 -11.676   5.966   5.966
   93   2HG   ARG  13           HG1      ARG  13 -11.651   4.708   4.708
   94   1HD   ARG  13           HD2      ARG  13 -10.444   3.436   3.436
   95   2HD   ARG  13           HD1      ARG  13  -9.117   4.601   4.601
   96    HE   ARG  13           HE       ARG  13 -11.285   4.831   4.831
   97   1HH1  ARG  13          HH11      ARG  13 -10.568   7.255   7.255
   98   2HH1  ARG  13          HH12      ARG  13  -8.964   7.297   7.297
   99   1HH2  ARG  13          HH21      ARG  13  -8.156   4.102   4.102
  100   2HH2  ARG  13          HH22      ARG  13  -7.599   5.509   5.509
  101    H    LYS  14           HN       LYS  14 -12.374   6.870   6.870
  102    HA   LYS  14           HA       LYS  14 -12.300   7.865   7.865
  103   1HB   LYS  14           HB1      LYS  14 -14.079   7.741   7.741
  104   2HB   LYS  14           HB2      LYS  14 -14.210   9.284   9.284
  105   1HG   LYS  14           HG1      LYS  14 -14.546   8.084   8.084
  106   2HG   LYS  14           HG2      LYS  14 -14.420   6.542   6.542
  107   1HD   LYS  14           HD2      LYS  14 -16.508   8.678   8.678
  108   2HD   LYS  14           HD1      LYS  14 -16.784   7.173   7.173
  109   1HE   LYS  14           HE2      LYS  14 -15.961   5.959   5.959
  110   2HE   LYS  14           HE1      LYS  14 -16.117   7.520   7.520
  111   1HZ   LYS  14           HZ1      LYS  14 -18.278   6.336   6.336
  112   2HZ   LYS  14           HZ3      LYS  14 -18.172   6.103   6.103
  113   3HZ   LYS  14           HZ2      LYS  14 -18.387   7.668   7.668
  114    H    SER  15           HN       SER  15 -11.071   9.022   9.022
  115    HA   SER  15           HA       SER  15 -10.612  11.726  11.726
  116   1HB   SER  15           HB1      SER  15 -12.177  11.716  11.716
  117   2HB   SER  15           HB2      SER  15 -10.988  10.870  10.870
  118    HG   SER  15           HG       SER  15  -9.851  12.649  12.649
  119    H    ASN  16           HN       ASN  16  -9.002   8.931   8.931
  120    HA   ASN  16           HA       ASN  16  -6.569  10.177  10.177
  121   1HB   ASN  16           HB1      ASN  16  -7.643   7.411   7.411
  122   2HB   ASN  16           HB2      ASN  16  -5.913   7.631   7.631
  123   1HD2  ASN  16          HD22      ASN  16  -7.238   7.133   7.133
  124   2HD2  ASN  16          HD21      ASN  16  -6.897   6.214   6.214
  125    H    PHE  17           HN       PHE  17  -7.795   8.694   8.694
  126    HA   PHE  17           HA       PHE  17  -5.484   8.147   8.147
  127   1HB   PHE  17           HB1      PHE  17  -7.944   7.873   7.873
  128   2HB   PHE  17           HB2      PHE  17  -7.928   9.565   9.565
  129    HD1  PHE  17           HD2      PHE  17  -5.987  10.254  10.254
  130    HD2  PHE  17           HD1      PHE  17  -7.358   6.228   6.228
  131    HE1  PHE  17           HE2      PHE  17  -5.018   9.601   9.601
  132    HE2  PHE  17           HE1      PHE  17  -6.392   5.575   5.575
  133    HZ   PHE  17           HZ       PHE  17  -5.193   7.268   7.268
  134    H    ALA  18           HN       ALA  18  -7.233  11.244  11.244
  135    HA   ALA  18           HA       ALA  18  -5.202  12.638  12.638
  136   1HB   ALA  18           HB1      ALA  18  -7.735  13.122  13.122
  137   2HB   ALA  18           HB3      ALA  18  -6.784  14.179  14.179
  138   3HB   ALA  18           HB2      ALA  18  -6.694  14.356  14.356
  139    H    GLU  19           HN       GLU  19  -5.534  11.974  11.974
  140    HA   GLU  19           HA       GLU  19  -3.546  13.896  13.896
  141   1HB   GLU  19           HB1      GLU  19  -5.407  12.890  12.890
  142   2HB   GLU  19           HB2      GLU  19  -4.574  11.340  11.340
  143   1HG   GLU  19           HG2      GLU  19  -2.533  12.662  12.662
  144   2HG   GLU  19           HG1      GLU  19  -3.734  13.867  13.867
  145    H    ALA  20           HN       ALA  20  -3.480  10.319  10.319
  146    HA   ALA  20           HA       ALA  20  -0.756   9.900   9.900
  147   1HB   ALA  20           HB3      ALA  20  -2.999   8.528   8.528
  148   2HB   ALA  20           HB2      ALA  20  -1.412   7.991   7.991
  149   3HB   ALA  20           HB1      ALA  20  -1.830   7.896   7.896
  150    H    LEU  21           HN       LEU  21  -2.324  10.585  10.585
  151    HA   LEU  21           HA       LEU  21  -0.160  10.338  10.338
  152   1HB   LEU  21           HB2      LEU  21  -2.690  11.845  11.845
  153   2HB   LEU  21           HB1      LEU  21  -1.516  12.552  12.552
  154    HG   LEU  21           HG       LEU  21  -3.052  10.898  10.898
  155   1HD1  LEU  21          HD21      LEU  21  -0.755  11.377  11.377
  156   2HD1  LEU  21          HD23      LEU  21  -0.150  10.019  10.019
  157   3HD1  LEU  21          HD22      LEU  21  -1.292   9.738   9.738
  158   1HD2  LEU  21          HD12      LEU  21  -2.818   9.419   9.419
  159   2HD2  LEU  21          HD11      LEU  21  -3.214   8.705   8.705
  160   3HD2  LEU  21          HD13      LEU  21  -1.556   8.655   8.655
  161    H    ALA  22           HN       ALA  22  -0.863  12.916  12.916
  162    HA   ALA  22           HA       ALA  22   1.709  14.252  14.252
  163   1HB   ALA  22           HB3      ALA  22  -0.407  15.504  15.504
  164   2HB   ALA  22           HB2      ALA  22  -0.798  15.416  15.416
  165   3HB   ALA  22           HB1      ALA  22   0.615  16.325  16.325
  166    H    ALA  23           HN       ALA  23   1.013  12.056  12.056
  167    HA   ALA  23           HA       ALA  23   1.710  13.458  13.458
  168   1HB   ALA  23           HB1      ALA  23  -0.238  11.802  11.802
  169   2HB   ALA  23           HB3      ALA  23   1.000  10.549  10.549
  170   3HB   ALA  23           HB2      ALA  23   0.822  11.509  11.509
  171    H    HIS  24           HN       HIS  24   2.798  10.755  10.755
  172    HA   HIS  24           HA       HIS  24   5.525  11.075  11.075
  173   1HB   HIS  24           HB1      HIS  24   3.657   8.862   8.862
  174   2HB   HIS  24           HB2      HIS  24   5.153   8.346   8.346
  175    HD1  HIS  24           HD1      HIS  24   3.735   9.345   9.345
  176    HD2  HIS  24           HD2      HIS  24   7.533   8.820   8.820
  177    HE1  HIS  24           HE1      HIS  24   5.351   9.276   9.276
  178    H    LYS  25           HN       LYS  25   4.505  12.078  12.078
  179    HA   LYS  25           HA       LYS  25   5.096  12.138  12.138
  180   1HB   LYS  25           HB1      LYS  25   7.403  10.696  10.696
  181   2HB   LYS  25           HB2      LYS  25   7.444  11.200  11.200
  182   1HG   LYS  25           HG1      LYS  25   6.621  13.511  13.511
  183   2HG   LYS  25           HG2      LYS  25   7.556  12.845  12.845
  184   1HD   LYS  25           HD2      LYS  25   9.086  12.394  12.394
  185   2HD   LYS  25           HD1      LYS  25   8.510  14.059  14.059
  186   1HE   LYS  25           HE2      LYS  25   9.276  14.256  14.256
  187   2HE   LYS  25           HE1      LYS  25  10.214  12.786  12.786
  188   1HZ   LYS  25           HZ3      LYS  25  10.275  15.275  15.275
  189   2HZ   LYS  25           HZ2      LYS  25  11.488  14.781  14.781
  190   3HZ   LYS  25           HZ1      LYS  25  11.166  13.866  13.866
  191    H    TYR  26           HN       TYR  26   6.722   9.035   9.035
  192    HA   TYR  26           HA       TYR  26   5.099   7.854   7.854
  193   1HB   TYR  26           HB2      TYR  26   7.272   6.730   6.730
  194   2HB   TYR  26           HB1      TYR  26   6.708   6.011   6.011
  195    HD1  TYR  26           HD2      TYR  26   6.378   8.385   8.385
  196    HD2  TYR  26           HD1      TYR  26   9.500   7.389   7.389
  197    HE1  TYR  26           HE2      TYR  26   7.966   9.801   9.801
  198    HE2  TYR  26           HE1      TYR  26  11.087   8.805   8.805
  199    HH   TYR  26           HH       TYR  26  10.328  10.068  10.068
  200    H    LEU  27           HN       LEU  27   3.091   7.025   7.025
  201    HA   LEU  27           HA       LEU  27   2.854   5.487   5.487
  202   1HB   LEU  27           HB2      LEU  27   1.045   7.463   7.463
  203   2HB   LEU  27           HB1      LEU  27   0.369   6.267   6.267
  204    HG   LEU  27           HG       LEU  27   0.809   8.307   8.307
  205   1HD1  LEU  27          HD13      LEU  27   1.535   5.896   5.896
  206   2HD1  LEU  27          HD12      LEU  27   3.140   6.627   6.627
  207   3HD1  LEU  27          HD11      LEU  27   1.869   7.342   7.342
  208   1HD2  LEU  27          HD23      LEU  27   2.834   8.694   8.694
  209   2HD2  LEU  27          HD22      LEU  27   2.662   9.596   9.596
  210   3HD2  LEU  27          HD21      LEU  27   3.738   8.201   8.201
  211    H    LEU  28           HN       LEU  28   2.628   3.342   3.342
  212    HA   LEU  28           HA       LEU  28   1.460   2.590   2.590
  213   1HB   LEU  28           HB1      LEU  28   3.522   1.534   1.534
  214   2HB   LEU  28           HB2      LEU  28   2.604   0.956   0.956
  215    HG   LEU  28           HG       LEU  28   1.039  -0.163  -0.163
  216   1HD1  LEU  28          HD13      LEU  28   2.236   1.321   1.321
  217   2HD1  LEU  28          HD12      LEU  28   3.347  -0.050  -0.050
  218   3HD1  LEU  28          HD11      LEU  28   1.632  -0.292  -0.292
  219   1HD2  LEU  28          HD21      LEU  28   3.880  -0.943  -0.943
  220   2HD2  LEU  28          HD23      LEU  28   2.385  -1.675  -1.675
  221   3HD2  LEU  28          HD22      LEU  28   2.915  -1.950  -1.950
  222    H    VAL  29           HN       VAL  29  -0.669   1.984   1.984
  223    HA   VAL  29           HA       VAL  29  -2.155   1.351   1.351
  224    HB   VAL  29           HB       VAL  29  -3.125   2.695   2.695
  225   1HG1  VAL  29          HG23      VAL  29  -4.391   2.248   2.248
  226   2HG1  VAL  29          HG22      VAL  29  -5.065   3.299   3.299
  227   3HG1  VAL  29          HG21      VAL  29  -4.922   1.565   1.565
  228   1HG2  VAL  29          HG12      VAL  29  -2.313   3.829   3.829
  229   2HG2  VAL  29          HG11      VAL  29  -1.545   4.149   4.149
  230   3HG2  VAL  29          HG13      VAL  29  -3.175   4.743   4.743
  231    H    GLU  30           HN       GLU  30  -3.369  -0.530  -0.530
  232    HA   GLU  30           HA       GLU  30  -3.540  -2.032  -2.032
  233   1HB   GLU  30           HB1      GLU  30  -1.929  -3.024  -3.024
  234   2HB   GLU  30           HB2      GLU  30  -3.091  -2.965  -2.965
  235   1HG   GLU  30           HG2      GLU  30  -4.504  -4.599  -4.599
  236   2HG   GLU  30           HG1      GLU  30  -3.570  -4.518  -4.518
  237    H    PHE  31           HN       PHE  31  -5.643  -2.317  -2.317
  238    HA   PHE  31           HA       PHE  31  -7.811  -1.986  -1.986
  239   1HB   PHE  31           HB2      PHE  31  -7.640  -1.954  -1.954
  240   2HB   PHE  31           HB1      PHE  31  -9.163  -1.829  -1.829
  241    HD1  PHE  31           HD2      PHE  31  -5.883  -0.203  -0.203
  242    HD2  PHE  31           HD1      PHE  31  -9.799   0.195   0.195
  243    HE1  PHE  31           HE2      PHE  31  -5.493   2.224   2.224
  244    HE2  PHE  31           HE1      PHE  31  -9.409   2.623   2.623
  245    HZ   PHE  31           HZ       PHE  31  -7.256   3.638   3.638
  246    H    TYR  32           HN       TYR  32  -8.620  -3.889  -3.889
  247    HA   TYR  32           HA       TYR  32  -9.041  -6.178  -6.178
  248   1HB   TYR  32           HB1      TYR  32  -7.944  -7.697  -7.697
  249   2HB   TYR  32           HB2      TYR  32  -6.827  -6.432  -6.432
  250    HD1  TYR  32           HD2      TYR  32  -6.765  -4.286  -4.286
  251    HD2  TYR  32           HD1      TYR  32  -8.307  -8.088  -8.088
  252    HE1  TYR  32           HE2      TYR  32  -6.472  -3.611  -3.611
  253    HE2  TYR  32           HE1      TYR  32  -8.014  -7.414  -7.414
  254    HH   TYR  32           HH       TYR  32  -7.791  -5.460  -5.460
  255    H    ALA  33           HN       ALA  33  -9.916  -8.040  -8.040
  256    HA   ALA  33           HA       ALA  33 -12.055  -6.714  -6.714
  257   1HB   ALA  33           HB2      ALA  33 -12.447  -7.691  -7.691
  258   2HB   ALA  33           HB1      ALA  33 -12.867  -9.090  -9.090
  259   3HB   ALA  33           HB3      ALA  33 -13.714  -7.560  -7.560
  260    HA   PRO  34           HA       PRO  34 -11.175  -9.911  -9.911
  261   1HB   PRO  34           HB2      PRO  34 -13.656 -10.511 -10.511
  262   2HB   PRO  34           HB1      PRO  34 -12.777  -9.025  -9.025
  263   1HG   PRO  34           HG2      PRO  34 -14.974  -9.453  -9.453
  264   2HG   PRO  34           HG1      PRO  34 -14.716  -8.108  -8.108
  265   1HD   PRO  34           HD1      PRO  34 -14.105  -7.950  -7.950
  266   2HD   PRO  34           HD2      PRO  34 -13.213  -7.060  -7.060
  267    H    TRP  35           HN       TRP  35 -13.356 -10.498 -10.498
  268    HA   TRP  35           HA       TRP  35 -13.127 -13.456 -13.456
  269   1HB   TRP  35           HB2      TRP  35 -15.139 -13.525 -13.525
  270   2HB   TRP  35           HB1      TRP  35 -15.400 -12.515 -12.515
  271    HD1  TRP  35           HD1      TRP  35 -15.705  -9.941  -9.941
  272    HE1  TRP  35           HE1      TRP  35 -16.053  -8.471  -8.471
  273    HE3  TRP  35           HE3      TRP  35 -14.486 -13.294 -13.294
  274    HZ2  TRP  35           HZ2      TRP  35 -15.843  -8.686  -8.686
  275    HZ3  TRP  35           HZ3      TRP  35 -14.568 -12.634 -12.634
  276    HH2  TRP  35           HH2      TRP  35 -15.245 -10.336 -10.336
  277    H    CYS  36           HN       CYS  36 -11.477 -11.139 -11.139
  278    HA   CYS  36           HA       CYS  36 -11.461 -11.794 -11.794
  279   1HB   CYS  36           HB2      CYS  36 -10.253  -9.921  -9.921
  280   2HB   CYS  36           HB1      CYS  36  -9.198 -11.045 -11.045
  281    H    GLY  37           HN       GLY  37 -10.229 -13.322 -13.322
  282   1HA   GLY  37           HA2      GLY  37  -9.464 -15.757 -15.757
  283   2HA   GLY  37           HA1      GLY  37  -9.799 -15.701 -15.701
  284    H    HIS  38           HN       HIS  38  -7.380 -16.672 -16.672
  285    HA   HIS  38           HA       HIS  38  -5.031 -16.618 -16.618
  286   1HB   HIS  38           HB2      HIS  38  -6.228 -16.401 -16.401
  287   2HB   HIS  38           HB1      HIS  38  -5.354 -14.871 -14.871
  288    HD1  HIS  38           HD1      HIS  38  -3.725 -15.799 -15.799
  289    HD2  HIS  38           HD2      HIS  38  -3.608 -17.891 -17.891
  290    HE1  HIS  38           HE1      HIS  38  -1.641 -17.237 -17.237
  291    H    CYS  39           HN       CYS  39  -6.612 -14.215 -14.215
  292    HA   CYS  39           HA       CYS  39  -4.720 -11.991 -11.991
  293   1HB   CYS  39           HB2      CYS  39  -7.432 -12.432 -12.432
  294   2HB   CYS  39           HB1      CYS  39  -6.512 -11.264 -11.264
  295    H    LYS  40           HN       LYS  40  -5.589 -14.336 -14.336
  296    HA   LYS  40           HA       LYS  40  -4.067 -13.145 -13.145
  297   1HB   LYS  40           HB2      LYS  40  -4.474 -15.316 -15.316
  298   2HB   LYS  40           HB1      LYS  40  -5.929 -14.790 -14.790
  299   1HG   LYS  40           HG1      LYS  40  -5.096 -16.174 -16.174
  300   2HG   LYS  40           HG2      LYS  40  -3.928 -16.881 -16.881
  301   1HD   LYS  40           HD2      LYS  40  -5.935 -17.393 -17.393
  302   2HD   LYS  40           HD1      LYS  40  -6.946 -17.019 -17.019
  303   1HE   LYS  40           HE2      LYS  40  -6.490 -19.023 -19.023
  304   2HE   LYS  40           HE1      LYS  40  -4.747 -18.830 -18.830
  305   1HZ   LYS  40           HZ1      LYS  40  -6.699 -19.502 -19.502
  306   2HZ   LYS  40           HZ3      LYS  40  -5.773 -20.661 -20.661
  307   3HZ   LYS  40           HZ2      LYS  40  -5.005 -19.481 -19.481
  308    H    ALA  41           HN       ALA  41  -3.246 -15.229 -15.229
  309    HA   ALA  41           HA       ALA  41  -0.806 -16.352 -16.352
  310   1HB   ALA  41           HB2      ALA  41  -2.082 -16.980 -16.980
  311   2HB   ALA  41           HB1      ALA  41  -1.574 -15.464 -15.464
  312   3HB   ALA  41           HB3      ALA  41  -0.375 -16.691 -16.691
  313    H    LEU  42           HN       LEU  42  -1.594 -13.090 -13.090
  314    HA   LEU  42           HA       LEU  42   1.319 -12.393 -12.393
  315   1HB   LEU  42           HB1      LEU  42  -0.339 -11.965 -11.965
  316   2HB   LEU  42           HB2      LEU  42  -1.029 -10.713 -10.713
  317    HG   LEU  42           HG       LEU  42   1.528 -10.000 -10.000
  318   1HD1  LEU  42          HD13      LEU  42   1.371 -11.411 -11.411
  319   2HD1  LEU  42          HD12      LEU  42   2.676 -10.329 -10.329
  320   3HD1  LEU  42          HD11      LEU  42   2.419 -11.847 -11.847
  321   1HD2  LEU  42          HD22      LEU  42  -0.406  -8.681  -8.681
  322   2HD2  LEU  42          HD21      LEU  42   1.137  -8.356  -8.356
  323   3HD2  LEU  42          HD23      LEU  42  -0.051  -9.396  -9.396
  324    H    ALA  43           HN       ALA  43  -0.639 -12.711 -12.711
  325    HA   ALA  43           HA       ALA  43  -0.989 -10.039 -10.039
  326   1HB   ALA  43           HB3      ALA  43  -1.484 -12.859 -12.859
  327   2HB   ALA  43           HB2      ALA  43  -1.163 -11.821 -11.821
  328   3HB   ALA  43           HB1      ALA  43  -2.488 -11.439 -11.439
  329    HA   PRO  44           HA       PRO  44   2.705 -11.220 -11.220
  330   1HB   PRO  44           HB1      PRO  44   4.095 -13.514 -13.514
  331   2HB   PRO  44           HB2      PRO  44   2.697 -13.458 -13.458
  332   1HG   PRO  44           HG2      PRO  44   2.871 -14.365 -14.365
  333   2HG   PRO  44           HG1      PRO  44   1.915 -15.021 -15.021
  334   1HD   PRO  44           HD1      PRO  44   0.893 -13.429 -13.429
  335   2HD   PRO  44           HD2      PRO  44   0.194 -13.568 -13.568
  336    H    GLU  45           HN       GLU  45   2.656 -11.240 -11.240
  337    HA   GLU  45           HA       GLU  45   5.598 -10.826 -10.826
  338   1HB   GLU  45           HB2      GLU  45   3.370 -10.962 -10.962
  339   2HB   GLU  45           HB1      GLU  45   5.101 -11.023 -11.023
  340   1HG   GLU  45           HG2      GLU  45   4.894 -13.273 -13.273
  341   2HG   GLU  45           HG1      GLU  45   4.754 -13.030 -13.030
  342    H    TYR  46           HN       TYR  46   2.481  -9.229  -9.229
  343    HA   TYR  46           HA       TYR  46   3.609  -6.701  -6.701
  344   1HB   TYR  46           HB2      TYR  46   1.464  -7.048  -7.048
  345   2HB   TYR  46           HB1      TYR  46   0.971  -7.956  -7.956
  346    HD1  TYR  46           HD1      TYR  46   0.106  -6.803  -6.803
  347    HD2  TYR  46           HD2      TYR  46   1.324  -4.623  -4.623
  348    HE1  TYR  46           HE1      TYR  46  -1.020  -4.778  -4.778
  349    HE2  TYR  46           HE2      TYR  46   0.199  -2.594  -2.594
  350    HH   TYR  46           HH       TYR  46  -1.027  -1.725  -1.725
  351    H    ALA  47           HN       ALA  47   3.109  -8.251  -8.251
  352    HA   ALA  47           HA       ALA  47   3.071  -5.704  -5.704
  353   1HB   ALA  47           HB3      ALA  47   2.024  -8.267  -8.267
  354   2HB   ALA  47           HB2      ALA  47   3.357  -8.213  -8.213
  355   3HB   ALA  47           HB1      ALA  47   2.069  -7.010  -7.010
  356    H    LYS  48           HN       LYS  48   5.319  -8.160  -8.160
  357    HA   LYS  48           HA       LYS  48   7.334  -7.574  -7.574
  358   1HB   LYS  48           HB2      LYS  48   6.783  -9.513  -9.513
  359   2HB   LYS  48           HB1      LYS  48   8.390  -8.853  -8.853
  360   1HG   LYS  48           HG2      LYS  48   9.241 -10.007 -10.007
  361   2HG   LYS  48           HG1      LYS  48   8.055  -9.299  -9.299
  362   1HD   LYS  48           HD2      LYS  48   7.764 -11.704 -11.704
  363   2HD   LYS  48           HD1      LYS  48   6.386 -10.990 -10.990
  364   1HE   LYS  48           HE2      LYS  48   6.901 -12.549 -12.549
  365   2HE   LYS  48           HE1      LYS  48   8.130 -11.359 -11.359
  366   1HZ   LYS  48           HZ3      LYS  48   8.572 -13.404 -13.404
  367   2HZ   LYS  48           HZ2      LYS  48   9.014 -13.638 -13.638
  368   3HZ   LYS  48           HZ1      LYS  48   9.730 -12.392 -12.392
  369    H    ALA  49           HN       ALA  49   6.553  -6.471  -6.471
  370    HA   ALA  49           HA       ALA  49   9.068  -5.217  -5.217
  371   1HB   ALA  49           HB2      ALA  49   6.212  -5.051  -5.051
  372   2HB   ALA  49           HB1      ALA  49   7.349  -3.827  -3.827
  373   3HB   ALA  49           HB3      ALA  49   7.643  -5.530  -5.530
  374    H    ALA  50           HN       ALA  50   6.382  -4.314  -4.314
  375    HA   ALA  50           HA       ALA  50   6.870  -1.461  -1.461
  376   1HB   ALA  50           HB3      ALA  50   4.756  -2.643  -2.643
  377   2HB   ALA  50           HB2      ALA  50   5.578  -3.324  -3.324
  378   3HB   ALA  50           HB1      ALA  50   5.328  -1.581  -1.581
  379    H    GLY  51           HN       GLY  51   8.300  -4.223  -4.223
  380   1HA   GLY  51           HA2      GLY  51   9.539  -2.618  -2.618
  381   2HA   GLY  51           HA1      GLY  51   9.801  -4.338  -4.338
  382    H    LYS  52           HN       LYS  52  10.306  -3.591  -3.591
  383    HA   LYS  52           HA       LYS  52  13.114  -3.663  -3.663
  384   1HB   LYS  52           HB2      LYS  52  10.944  -2.793  -2.793
  385   2HB   LYS  52           HB1      LYS  52  12.620  -2.490  -2.490
  386   1HG   LYS  52           HG1      LYS  52  11.932  -5.207  -5.207
  387   2HG   LYS  52           HG2      LYS  52  11.410  -4.794  -4.794
  388   1HD   LYS  52           HD2      LYS  52  13.586  -4.568  -4.568
  389   2HD   LYS  52           HD1      LYS  52  14.232  -4.183  -4.183
  390   1HE   LYS  52           HE2      LYS  52  13.524  -6.637  -6.637
  391   2HE   LYS  52           HE1      LYS  52  13.549  -6.878  -6.878
  392   1HZ   LYS  52           HZ2      LYS  52  15.753  -5.623  -5.623
  393   2HZ   LYS  52           HZ1      LYS  52  15.740  -7.252  -7.252
  394   3HZ   LYS  52           HZ3      LYS  52  15.766  -6.021  -6.021
  395    H    LEU  53           HN       LEU  53  10.972  -0.798  -0.798
  396    HA   LEU  53           HA       LEU  53  13.154   1.107   1.107
  397   1HB   LEU  53           HB1      LEU  53  11.330   2.718   2.718
  398   2HB   LEU  53           HB2      LEU  53  10.834   1.517   1.517
  399    HG   LEU  53           HG       LEU  53  10.068   0.268   0.268
  400   1HD1  LEU  53          HD13      LEU  53  10.756   2.796   2.796
  401   2HD1  LEU  53          HD12      LEU  53   9.011   2.916   2.916
  402   3HD1  LEU  53          HD11      LEU  53   9.681   1.670   1.670
  403   1HD2  LEU  53          HD22      LEU  53   8.862   1.382   1.382
  404   2HD2  LEU  53          HD21      LEU  53   8.024   0.475   0.475
  405   3HD2  LEU  53          HD23      LEU  53   8.078   2.237   2.237
  406    H    LYS  54           HN       LYS  54  11.575  -0.563  -0.563
  407    HA   LYS  54           HA       LYS  54  12.132   1.157   1.157
  408   1HB   LYS  54           HB2      LYS  54  10.896  -1.094  -1.094
  409   2HB   LYS  54           HB1      LYS  54  12.486  -1.853  -1.853
  410   1HG   LYS  54           HG2      LYS  54  11.806  -1.745  -1.745
  411   2HG   LYS  54           HG1      LYS  54  12.846  -0.332  -0.332
  412   1HD   LYS  54           HD2      LYS  54  10.351   0.607   0.607
  413   2HD   LYS  54           HD1      LYS  54   9.981  -0.465  -0.465
  414   1HE   LYS  54           HE2      LYS  54  11.026   0.891   0.891
  415   2HE   LYS  54           HE1      LYS  54  12.311   1.344   1.344
  416   1HZ   LYS  54           HZ3      LYS  54   9.512   2.188   2.188
  417   2HZ   LYS  54           HZ2      LYS  54  10.553   3.101   3.101
  418   3HZ   LYS  54           HZ1      LYS  54  10.931   2.852   2.852
  419    H    ALA  55           HN       ALA  55  14.219  -0.926  -0.926
  420    HA   ALA  55           HA       ALA  55  16.582  -0.199  -0.199
  421   1HB   ALA  55           HB3      ALA  55  15.998  -2.352  -2.352
  422   2HB   ALA  55           HB2      ALA  55  17.603  -2.089  -2.089
  423   3HB   ALA  55           HB1      ALA  55  16.268  -2.575  -2.575
  424    H    GLU  56           HN       GLU  56  15.179   1.556   1.556
  425    HA   GLU  56           HA       GLU  56  15.701   3.076   3.076
  426   1HB   GLU  56           HB1      GLU  56  18.374   2.145   2.145
  427   2HB   GLU  56           HB2      GLU  56  18.266   3.336   3.336
  428   1HG   GLU  56           HG2      GLU  56  16.727   4.678   4.678
  429   2HG   GLU  56           HG1      GLU  56  17.082   3.544   3.544
  430    H    GLY  57           HN       GLY  57  15.056   0.354   0.354
  431   1HA   GLY  57           HA2      GLY  57  16.913  -0.364  -0.364
  432   2HA   GLY  57           HA1      GLY  57  15.402  -1.189  -1.189
  433    H    SER  58           HN       SER  58  14.222   1.737   1.737
  434    HA   SER  58           HA       SER  58  14.335   2.576   2.576
  435   1HB   SER  58           HB1      SER  58  12.885   0.319   0.319
  436   2HB   SER  58           HB2      SER  58  11.644   1.540   1.540
  437    HG   SER  58           HG       SER  58  12.763   0.736   0.736
  438    H    GLU  59           HN       GLU  59  12.441   4.213   4.213
  439    HA   GLU  59           HA       GLU  59  11.856   5.622   5.622
  440   1HB   GLU  59           HB1      GLU  59  12.252   7.703   7.703
  441   2HB   GLU  59           HB2      GLU  59  13.636   6.638   6.638
  442   1HG   GLU  59           HG2      GLU  59  12.244   7.877   7.877
  443   2HG   GLU  59           HG1      GLU  59  13.251   6.443   6.443
  444    H    ILE  60           HN       ILE  60  10.132   3.712   3.712
  445    HA   ILE  60           HA       ILE  60   7.938   5.578   5.578
  446    HB   ILE  60           HB       ILE  60   7.238   4.003   4.003
  447   1HG1  ILE  60          HG11      ILE  60   7.259   2.022   2.022
  448   2HG1  ILE  60          HG12      ILE  60   7.846   1.659   1.659
  449   1HG2  ILE  60          HG22      ILE  60   9.417   5.041   5.041
  450   2HG2  ILE  60          HG21      ILE  60  10.239   3.626   3.626
  451   3HG2  ILE  60          HG23      ILE  60   9.197   3.462   3.462
  452   1HD1  ILE  60          HD13      ILE  60  10.206   2.171   2.171
  453   2HD1  ILE  60          HD12      ILE  60   9.404   1.911   1.911
  454   3HD1  ILE  60          HD11      ILE  60   9.442   0.621   0.621
  455    H    ARG  61           HN       ARG  61   5.692   4.590   4.590
  456    HA   ARG  61           HA       ARG  61   5.723   3.181   3.181
  457   1HB   ARG  61           HB2      ARG  61   4.750   5.727   5.727
  458   2HB   ARG  61           HB1      ARG  61   3.339   4.721   4.721
  459   1HG   ARG  61           HG1      ARG  61   5.108   4.121   4.121
  460   2HG   ARG  61           HG2      ARG  61   5.267   5.865   5.865
  461   1HD   ARG  61           HD2      ARG  61   2.509   5.403   5.403
  462   2HD   ARG  61           HD1      ARG  61   3.048   4.359   4.359
  463    HE   ARG  61           HE       ARG  61   4.347   6.896   6.896
  464   1HH1  ARG  61          HH11      ARG  61   1.365   7.454   7.454
  465   2HH1  ARG  61          HH12      ARG  61   0.727   7.665   7.665
  466   1HH2  ARG  61          HH21      ARG  61   3.486   6.275   6.275
  467   2HH2  ARG  61          HH22      ARG  61   1.927   6.996   6.996
  468    H    LEU  62           HN       LEU  62   3.939   1.703   1.703
  469    HA   LEU  62           HA       LEU  62   2.670   0.719   0.719
  470   1HB   LEU  62           HB1      LEU  62   4.150  -0.500  -0.500
  471   2HB   LEU  62           HB2      LEU  62   2.547  -1.225  -1.225
  472    HG   LEU  62           HG       LEU  62   2.936  -1.507  -1.507
  473   1HD1  LEU  62          HD13      LEU  62   4.743   0.292   0.292
  474   2HD1  LEU  62          HD12      LEU  62   5.822  -0.902  -0.902
  475   3HD1  LEU  62          HD11      LEU  62   5.131  -1.190  -1.190
  476   1HD2  LEU  62          HD22      LEU  62   3.933  -3.012  -3.012
  477   2HD2  LEU  62          HD21      LEU  62   3.579  -3.593  -3.593
  478   3HD2  LEU  62          HD23      LEU  62   5.199  -3.022  -3.022
  479    H    ALA  63           HN       ALA  63   0.412   0.253   0.253
  480    HA   ALA  63           HA       ALA  63  -1.064   0.657   0.657
  481   1HB   ALA  63           HB1      ALA  63  -0.637   2.698   2.698
  482   2HB   ALA  63           HB3      ALA  63  -2.356   2.320   2.320
  483   3HB   ALA  63           HB2      ALA  63  -1.474   2.832   2.832
  484    H    LYS  64           HN       LYS  64  -3.441   0.202   0.202
  485    HA   LYS  64           HA       LYS  64  -4.001  -1.379  -1.379
  486   1HB   LYS  64           HB1      LYS  64  -3.437  -2.362  -2.362
  487   2HB   LYS  64           HB2      LYS  64  -5.130  -2.696  -2.696
  488   1HG   LYS  64           HG2      LYS  64  -4.434  -3.699  -3.699
  489   2HG   LYS  64           HG1      LYS  64  -2.748  -3.443  -3.443
  490   1HD   LYS  64           HD2      LYS  64  -3.091  -4.850  -4.850
  491   2HD   LYS  64           HD1      LYS  64  -4.754  -5.147  -5.147
  492   1HE   LYS  64           HE1      LYS  64  -3.852  -6.108  -6.108
  493   2HE   LYS  64           HE2      LYS  64  -2.223  -5.969  -5.969
  494   1HZ   LYS  64           HZ1      LYS  64  -3.074  -7.210  -7.210
  495   2HZ   LYS  64           HZ3      LYS  64  -4.528  -7.473  -7.473
  496   3HZ   LYS  64           HZ2      LYS  64  -3.080  -8.130  -8.130
  497    H    VAL  65           HN       VAL  65  -6.357  -1.792  -1.792
  498    HA   VAL  65           HA       VAL  65  -8.087   0.103   0.103
  499    HB   VAL  65           HB       VAL  65  -7.918  -0.328  -0.328
  500   1HG1  VAL  65          HG12      VAL  65 -10.255  -0.024  -0.024
  501   2HG1  VAL  65          HG11      VAL  65  -9.768   1.465   1.465
  502   3HG1  VAL  65          HG13      VAL  65  -9.697   1.356   1.356
  503   1HG2  VAL  65          HG23      VAL  65  -6.523   1.402   1.402
  504   2HG2  VAL  65          HG22      VAL  65  -6.560   1.463   1.463
  505   3HG2  VAL  65          HG21      VAL  65  -7.722   2.399   2.399
  506    H    ASP  66           HN       ASP  66 -10.343  -0.556  -0.556
  507    HA   ASP  66           HA       ASP  66 -10.700  -3.487  -3.487
  508   1HB   ASP  66           HB2      ASP  66 -11.645  -1.470  -1.470
  509   2HB   ASP  66           HB1      ASP  66 -12.765  -2.773  -2.773
  510    H    ALA  67           HN       ALA  67 -11.405  -3.456  -3.456
  511    HA   ALA  67           HA       ALA  67 -13.089  -1.669  -1.669
  512   1HB   ALA  67           HB3      ALA  67 -11.927  -3.621  -3.621
  513   2HB   ALA  67           HB2      ALA  67 -13.048  -4.701  -4.701
  514   3HB   ALA  67           HB1      ALA  67 -13.636  -3.625  -3.625
  515    H    THR  68           HN       THR  68 -13.955  -3.999  -3.999
  516    HA   THR  68           HA       THR  68 -16.845  -3.804  -3.804
  517    HB   THR  68           HB       THR  68 -16.929  -5.283  -5.283
  518    HG1  THR  68           HG1      THR  68 -15.307  -5.295  -5.295
  519   1HG2  THR  68          HG22      THR  68 -16.304  -6.066  -6.066
  520   2HG2  THR  68          HG21      THR  68 -14.656  -6.182  -6.182
  521   3HG2  THR  68          HG23      THR  68 -15.936  -7.157  -7.157
  522    H    GLU  69           HN       GLU  69 -14.461  -2.154  -2.154
  523    HA   GLU  69           HA       GLU  69 -16.614  -0.840  -0.840
  524   1HB   GLU  69           HB1      GLU  69 -14.419  -2.095  -2.095
  525   2HB   GLU  69           HB2      GLU  69 -13.684  -0.525  -0.525
  526   1HG   GLU  69           HG1      GLU  69 -15.342   0.573   0.573
  527   2HG   GLU  69           HG2      GLU  69 -16.136  -0.975  -0.975
  528    H    GLU  70           HN       GLU  70 -13.483   0.006   0.006
  529    HA   GLU  70           HA       GLU  70 -14.467   2.796   2.796
  530   1HB   GLU  70           HB2      GLU  70 -11.745   1.524   1.524
  531   2HB   GLU  70           HB1      GLU  70 -12.089   3.253   3.253
  532   1HG   GLU  70           HG2      GLU  70 -11.941   3.272   3.272
  533   2HG   GLU  70           HG1      GLU  70 -13.156   2.001   2.001
  534    H    SER  71           HN       SER  71 -15.793   1.038   1.038
  535    HA   SER  71           HA       SER  71 -14.524   0.592   0.592
  536   1HB   SER  71           HB2      SER  71 -16.662  -0.174  -0.174
  537   2HB   SER  71           HB1      SER  71 -16.681  -0.359  -0.359
  538    HG   SER  71           HG       SER  71 -18.213   1.067   1.067
  539    H    ASP  72           HN       ASP  72 -16.061   3.378   3.378
  540    HA   ASP  72           HA       ASP  72 -16.916   4.894   4.894
  541   1HB   ASP  72           HB2      ASP  72 -16.494   5.238   5.238
  542   2HB   ASP  72           HB1      ASP  72 -15.318   6.354   6.354
  543    H    LEU  73           HN       LEU  73 -13.599   4.395   4.395
  544    HA   LEU  73           HA       LEU  73 -12.460   6.244   6.244
  545   1HB   LEU  73           HB2      LEU  73 -11.290   4.214   4.214
  546   2HB   LEU  73           HB1      LEU  73 -10.331   5.358   5.358
  547    HG   LEU  73           HG       LEU  73 -12.373   6.874   6.874
  548   1HD1  LEU  73          HD12      LEU  73 -12.086   4.556   4.556
  549   2HD1  LEU  73          HD11      LEU  73 -10.964   5.656   5.656
  550   3HD1  LEU  73          HD13      LEU  73 -12.664   6.097   6.097
  551   1HD2  LEU  73          HD21      LEU  73  -9.912   7.387   7.387
  552   2HD2  LEU  73          HD23      LEU  73 -10.541   8.049   8.049
  553   3HD2  LEU  73          HD22      LEU  73  -9.528   6.606   6.606
  554    H    ALA  74           HN       ALA  74 -12.895   2.753   2.753
  555    HA   ALA  74           HA       ALA  74 -11.256   2.047   2.047
  556   1HB   ALA  74           HB3      ALA  74 -12.916   0.788   0.788
  557   2HB   ALA  74           HB2      ALA  74 -13.057  -0.018  -0.018
  558   3HB   ALA  74           HB1      ALA  74 -11.475   0.166   0.166
  559    H    GLN  75           HN       GLN  75 -14.589   2.998   2.998
  560    HA   GLN  75           HA       GLN  75 -15.590   1.985   1.985
  561   1HB   GLN  75           HB2      GLN  75 -16.494   3.835   3.835
  562   2HB   GLN  75           HB1      GLN  75 -17.391   3.811   3.811
  563   1HG   GLN  75           HG2      GLN  75 -17.066   1.127   1.127
  564   2HG   GLN  75           HG1      GLN  75 -17.265   1.787   1.787
  565   1HE2  GLN  75          HE22      GLN  75 -20.693   1.144   1.144
  566   2HE2  GLN  75          HE21      GLN  75 -19.345   0.213   0.213
  567    H    GLN  76           HN       GLN  76 -14.172   5.012   5.012
  568    HA   GLN  76           HA       GLN  76 -14.761   6.695   6.695
  569   1HB   GLN  76           HB1      GLN  76 -12.469   6.466   6.466
  570   2HB   GLN  76           HB2      GLN  76 -12.564   7.782   7.782
  571   1HG   GLN  76           HG2      GLN  76 -15.045   7.267   7.267
  572   2HG   GLN  76           HG1      GLN  76 -13.689   7.887   7.887
  573   1HE2  GLN  76          HE22      GLN  76 -14.644  10.279  10.279
  574   2HE2  GLN  76          HE21      GLN  76 -14.401   8.615   8.615
  575    H    TYR  77           HN       TYR  77 -12.217   4.287   4.287
  576    HA   TYR  77           HA       TYR  77 -10.951   4.857   4.857
  577   1HB   TYR  77           HB1      TYR  77 -10.506   2.775   2.775
  578   2HB   TYR  77           HB2      TYR  77  -9.436   3.039   3.039
  579    HD1  TYR  77           HD1      TYR  77  -9.046   5.787   5.787
  580    HD2  TYR  77           HD2      TYR  77  -9.690   3.688   3.688
  581    HE1  TYR  77           HE1      TYR  77  -7.910   7.612   7.612
  582    HE2  TYR  77           HE2      TYR  77  -8.554   5.512   5.512
  583    HH   TYR  77           HH       TYR  77  -6.581   7.611   7.611
  584    H    GLY  78           HN       GLY  78 -12.445   1.993   1.993
  585   1HA   GLY  78           HA1      GLY  78 -14.238   0.797   0.797
  586   2HA   GLY  78           HA2      GLY  78 -13.289   1.113   1.113
  587    H    VAL  79           HN       VAL  79 -11.976   0.156   0.156
  588    HA   VAL  79           HA       VAL  79 -10.498  -2.048  -2.048
  589    HB   VAL  79           HB       VAL  79 -10.837  -1.062  -1.062
  590   1HG1  VAL  79          HG13      VAL  79  -9.979  -3.454  -3.454
  591   2HG1  VAL  79          HG12      VAL  79  -8.558  -2.691  -2.691
  592   3HG1  VAL  79          HG11      VAL  79  -8.967  -2.389  -2.389
  593   1HG2  VAL  79          HG22      VAL  79  -9.736   0.291   0.291
  594   2HG2  VAL  79          HG21      VAL  79  -9.209   0.479   0.479
  595   3HG2  VAL  79          HG23      VAL  79  -8.334  -0.602  -0.602
  596    H    ARG  80           HN       ARG  80 -11.381  -4.057  -4.057
  597    HA   ARG  80           HA       ARG  80 -13.381  -4.993  -4.993
  598   1HB   ARG  80           HB1      ARG  80 -13.375  -5.011  -5.011
  599   2HB   ARG  80           HB2      ARG  80 -14.279  -6.244  -6.244
  600   1HG   ARG  80           HG2      ARG  80 -15.807  -4.734  -4.734
  601   2HG   ARG  80           HG1      ARG  80 -14.630  -3.422  -3.422
  602   1HD   ARG  80           HD2      ARG  80 -15.736  -2.660  -2.660
  603   2HD   ARG  80           HD1      ARG  80 -14.786  -3.895  -3.895
  604    HE   ARG  80           HE       ARG  80 -17.622  -4.043  -4.043
  605   1HH1  ARG  80          HH11      ARG  80 -17.364  -6.292  -6.292
  606   2HH1  ARG  80          HH12      ARG  80 -16.979  -7.608  -7.608
  607   1HH2  ARG  80          HH21      ARG  80 -15.983  -5.562  -5.562
  608   2HH2  ARG  80          HH22      ARG  80 -16.197  -7.195  -7.195
  609    H    GLY  81           HN       GLY  81 -10.348  -5.546  -5.546
  610   1HA   GLY  81           HA2      GLY  81 -10.565  -8.486  -8.486
  611   2HA   GLY  81           HA1      GLY  81  -9.416  -7.772  -7.772
  612    H    TYR  82           HN       TYR  82 -10.105  -8.382  -8.382
  613    HA   TYR  82           HA       TYR  82  -7.712  -6.935  -6.935
  614   1HB   TYR  82           HB2      TYR  82  -9.606  -8.826  -8.826
  615   2HB   TYR  82           HB1      TYR  82  -8.512  -7.669  -7.669
  616    HD1  TYR  82           HD1      TYR  82  -8.879  -5.338  -5.338
  617    HD2  TYR  82           HD2      TYR  82 -11.752  -8.019  -8.019
  618    HE1  TYR  82           HE1      TYR  82 -10.618  -3.578  -3.578
  619    HE2  TYR  82           HE2      TYR  82 -13.491  -6.259  -6.259
  620    HH   TYR  82           HH       TYR  82 -13.613  -3.807  -3.807
  621    HA   PRO  83           HA       PRO  83  -6.622  -7.211  -7.211
  622   1HB   PRO  83           HB1      PRO  83  -3.964  -7.342  -7.342
  623   2HB   PRO  83           HB2      PRO  83  -5.194  -8.289  -8.289
  624   1HG   PRO  83           HG2      PRO  83  -3.201  -9.143  -9.143
  625   2HG   PRO  83           HG1      PRO  83  -3.988 -10.072 -10.072
  626   1HD   PRO  83           HD2      PRO  83  -4.619 -10.081 -10.081
  627   2HD   PRO  83           HD1      PRO  83  -5.528 -10.859 -10.859
  628    H    THR  84           HN       THR  84  -6.434  -5.227  -5.227
  629    HA   THR  84           HA       THR  84  -4.640  -4.972  -4.972
  630    HB   THR  84           HB       THR  84  -6.631  -2.958  -2.958
  631    HG1  THR  84           HG1      THR  84  -7.235  -5.075  -5.075
  632   1HG2  THR  84          HG23      THR  84  -5.113  -3.453  -3.453
  633   2HG2  THR  84          HG22      THR  84  -6.812  -3.050  -3.050
  634   3HG2  THR  84          HG21      THR  84  -5.765  -1.944  -1.944
  635    H    ILE  85           HN       ILE  85  -2.623  -4.163  -4.163
  636    HA   ILE  85           HA       ILE  85  -2.301  -2.294  -2.294
  637    HB   ILE  85           HB       ILE  85  -0.350  -4.020  -4.020
  638   1HG1  ILE  85          HG12      ILE  85  -0.445  -4.749  -4.749
  639   2HG1  ILE  85          HG11      ILE  85  -2.128  -4.507  -4.507
  640   1HG2  ILE  85          HG23      ILE  85   0.670  -1.942  -1.942
  641   2HG2  ILE  85          HG22      ILE  85   0.080  -2.392  -2.392
  642   3HG2  ILE  85          HG21      ILE  85   1.282  -3.396  -3.396
  643   1HD1  ILE  85          HD13      ILE  85  -0.472  -5.971  -5.971
  644   2HD1  ILE  85          HD12      ILE  85  -0.754  -6.818  -6.818
  645   3HD1  ILE  85          HD11      ILE  85  -2.121  -6.287  -6.287
  646    H    LYS  86           HN       LYS  86  -1.631  -0.204  -0.204
  647    HA   LYS  86           HA       LYS  86  -0.582   0.474   0.474
  648   1HB   LYS  86           HB2      LYS  86  -3.087   1.245   1.245
  649   2HB   LYS  86           HB1      LYS  86  -2.161   2.626   2.626
  650   1HG   LYS  86           HG2      LYS  86  -1.916   1.101   1.101
  651   2HG   LYS  86           HG1      LYS  86  -3.396   0.374   0.374
  652   1HD   LYS  86           HD2      LYS  86  -3.560   3.255   3.255
  653   2HD   LYS  86           HD1      LYS  86  -3.167   2.770   2.770
  654   1HE   LYS  86           HE2      LYS  86  -5.080   1.132   1.132
  655   2HE   LYS  86           HE1      LYS  86  -5.526   1.822   1.822
  656   1HZ   LYS  86           HZ1      LYS  86  -5.412   4.049   4.049
  657   2HZ   LYS  86           HZ3      LYS  86  -5.367   3.200   3.200
  658   3HZ   LYS  86           HZ2      LYS  86  -6.717   3.058   3.058
  659    H    PHE  87           HN       PHE  87   0.965   2.163   2.163
  660    HA   PHE  87           HA       PHE  87   1.943   2.913   2.913
  661   1HB   PHE  87           HB2      PHE  87   3.490   1.883   1.883
  662   2HB   PHE  87           HB1      PHE  87   3.130   3.144   3.144
  663    HD1  PHE  87           HD1      PHE  87   3.703   3.338   3.338
  664    HD2  PHE  87           HD2      PHE  87   5.072   4.445   4.445
  665    HE1  PHE  87           HE1      PHE  87   5.450   4.779   4.779
  666    HE2  PHE  87           HE2      PHE  87   6.814   5.883   5.883
  667    HZ   PHE  87           HZ       PHE  87   6.986   6.069   6.069
  668    H    PHE  88           HN       PHE  88   1.738   5.006   5.006
  669    HA   PHE  88           HA       PHE  88   0.796   7.075   7.075
  670   1HB   PHE  88           HB1      PHE  88   0.217   6.587   6.587
  671   2HB   PHE  88           HB2      PHE  88  -0.326   8.006   8.006
  672    HD1  PHE  88           HD1      PHE  88  -0.623   4.334   4.334
  673    HD2  PHE  88           HD2      PHE  88  -2.107   7.878   7.878
  674    HE1  PHE  88           HE1      PHE  88  -2.556   3.050   3.050
  675    HE2  PHE  88           HE2      PHE  88  -4.039   6.593   6.593
  676    HZ   PHE  88           HZ       PHE  88  -4.264   4.180   4.180
  677    H    ARG  89           HN       ARG  89   2.001   8.942   8.942
  678    HA   ARG  89           HA       ARG  89   4.505   9.115   9.115
  679   1HB   ARG  89           HB1      ARG  89   3.671   9.754   9.754
  680   2HB   ARG  89           HB2      ARG  89   3.690  11.332  11.332
  681   1HG   ARG  89           HG2      ARG  89   6.035  10.272  10.272
  682   2HG   ARG  89           HG1      ARG  89   5.940   9.538   9.538
  683   1HD   ARG  89           HD2      ARG  89   5.189  12.337  12.337
  684   2HD   ARG  89           HD1      ARG  89   6.801  12.154  12.154
  685    HE   ARG  89           HE       ARG  89   6.052  10.793  10.793
  686   1HH1  ARG  89          HH11      ARG  89   8.629   9.928   9.928
  687   2HH1  ARG  89          HH12      ARG  89   9.739  11.087  11.087
  688   1HH2  ARG  89          HH21      ARG  89   7.289  13.444  13.444
  689   2HH2  ARG  89          HH22      ARG  89   8.980  13.077  13.077
  690    H    ASN  90           HN       ASN  90   4.913  11.704  11.704
  691    HA   ASN  90           HA       ASN  90   3.455  12.377  12.377
  692   1HB   ASN  90           HB1      ASN  90   4.875  14.387  14.387
  693   2HB   ASN  90           HB2      ASN  90   5.818  12.957  12.957
  694   1HD2  ASN  90          HD22      ASN  90   6.528  15.544  15.544
  695   2HD2  ASN  90          HD21      ASN  90   6.758  15.425  15.425
  696    H    GLY  91           HN       GLY  91   1.359  12.127  12.127
  697   1HA   GLY  91           HA2      GLY  91  -0.609  13.459  13.459
  698   2HA   GLY  91           HA1      GLY  91   0.398  14.907  14.907
  699    H    ASP  92           HN       ASP  92  -1.209  12.706  12.706
  700    HA   ASP  92           HA       ASP  92  -0.361  14.164  14.164
  701   1HB   ASP  92           HB1      ASP  92   1.477  12.481  12.481
  702   2HB   ASP  92           HB2      ASP  92   0.312  11.219  11.219
  703    H    THR  93           HN       THR  93  -1.721  11.011  11.011
  704    HA   THR  93           HA       THR  93  -3.605   9.825   9.825
  705    HB   THR  93           HB       THR  93  -5.630  11.371  11.371
  706    HG1  THR  93           HG1      THR  93  -4.920  13.313  13.313
  707   1HG2  THR  93          HG21      THR  93  -3.661  11.544  11.544
  708   2HG2  THR  93          HG23      THR  93  -5.394  11.852  11.852
  709   3HG2  THR  93          HG22      THR  93  -4.810  10.235  10.235
  710    H    ALA  94           HN       ALA  94  -5.665  10.494  10.494
  711    HA   ALA  94           HA       ALA  94  -6.273  10.773  10.773
  712   1HB   ALA  94           HB3      ALA  94  -4.351  12.752  12.752
  713   2HB   ALA  94           HB2      ALA  94  -3.845  12.038  12.038
  714   3HB   ALA  94           HB1      ALA  94  -5.459  12.729  12.729
  715    H    SER  95           HN       SER  95  -2.743  10.280  10.280
  716    HA   SER  95           HA       SER  95  -3.127   7.769   7.769
  717   1HB   SER  95           HB2      SER  95  -2.554   9.574   9.574
  718   2HB   SER  95           HB1      SER  95  -1.211  10.068  10.068
  719    HG   SER  95           HG       SER  95  -0.227   8.800   8.800
  720    HA   PRO  96           HA       PRO  96  -0.244   7.264   7.264
  721   1HB   PRO  96           HB2      PRO  96  -1.439   5.028   5.028
  722   2HB   PRO  96           HB1      PRO  96  -1.935   6.673   6.673
  723   1HG   PRO  96           HG2      PRO  96  -3.181   4.749   4.749
  724   2HG   PRO  96           HG1      PRO  96  -3.949   5.893   5.893
  725   1HD   PRO  96           HD1      PRO  96  -3.678   6.322   6.322
  726   2HD   PRO  96           HD2      PRO  96  -3.817   7.619   7.619
  727    H    LYS  97           HN       LYS  97   1.075   5.185   5.185
  728    HA   LYS  97           HA       LYS  97   1.765   3.911   3.911
  729   1HB   LYS  97           HB2      LYS  97   2.967   4.434   4.434
  730   2HB   LYS  97           HB1      LYS  97   3.406   2.870   2.870
  731   1HG   LYS  97           HG2      LYS  97   4.591   3.809   3.809
  732   2HG   LYS  97           HG1      LYS  97   3.470   5.161   5.161
  733   1HD   LYS  97           HD2      LYS  97   4.431   5.926   5.926
  734   2HD   LYS  97           HD1      LYS  97   5.769   4.843   4.843
  735   1HE   LYS  97           HE2      LYS  97   5.340   6.291   6.291
  736   2HE   LYS  97           HE1      LYS  97   5.212   7.491   7.491
  737   1HZ   LYS  97           HZ1      LYS  97   7.346   5.438   5.438
  738   2HZ   LYS  97           HZ3      LYS  97   7.541   6.961   6.961
  739   3HZ   LYS  97           HZ2      LYS  97   7.273   6.842   6.842
  740    H    GLU  98           HN       GLU  98   2.026   1.510   1.510
  741    HA   GLU  98           HA       GLU  98  -0.007   0.133   0.133
  742   1HB   GLU  98           HB2      GLU  98  -0.571   0.435   0.435
  743   2HB   GLU  98           HB1      GLU  98   0.889  -0.454  -0.454
  744   1HG   GLU  98           HG1      GLU  98  -0.912  -2.037  -2.037
  745   2HG   GLU  98           HG2      GLU  98   0.002  -2.375  -2.375
  746    H    TYR  99           HN       TYR  99   0.549  -1.921  -1.921
  747    HA   TYR  99           HA       TYR  99   3.460  -2.540  -2.540
  748   1HB   TYR  99           HB2      TYR  99   2.189  -2.283  -2.283
  749   2HB   TYR  99           HB1      TYR  99   1.092  -3.569  -3.569
  750    HD1  TYR  99           HD2      TYR  99   4.824  -3.153  -3.153
  751    HD2  TYR  99           HD1      TYR  99   1.485  -5.522  -5.522
  752    HE1  TYR  99           HE2      TYR  99   6.383  -4.845  -4.845
  753    HE2  TYR  99           HE1      TYR  99   3.044  -7.216  -7.216
  754    HH   TYR  99           HH       TYR  99   5.497  -7.178  -7.178
  755    H    THR 100           HN       THR 100   4.029  -3.890  -3.890
  756    HA   THR 100           HA       THR 100   2.142  -5.794  -5.794
  757    HB   THR 100           HB       THR 100   4.187  -6.338  -6.338
  758    HG1  THR 100           HG1      THR 100   6.031  -5.123  -5.123
  759   1HG2  THR 100          HG23      THR 100   2.618  -4.037  -4.037
  760   2HG2  THR 100          HG22      THR 100   4.269  -3.424  -3.424
  761   3HG2  THR 100          HG21      THR 100   3.670  -4.557  -4.557
  762    H    ALA 101           HN       ALA 101   5.171  -6.082  -6.082
  763    HA   ALA 101           HA       ALA 101   5.285  -8.917  -8.917
  764   1HB   ALA 101           HB1      ALA 101   6.154  -6.690  -6.690
  765   2HB   ALA 101           HB3      ALA 101   6.552  -8.377  -8.377
  766   3HB   ALA 101           HB2      ALA 101   7.142  -7.595  -7.595
  767    H    GLY 102           HN       GLY 102   5.191  -9.682  -9.682
  768   1HA   GLY 102           HA2      GLY 102   3.330  -9.144  -9.144
  769   2HA   GLY 102           HA1      GLY 102   2.263  -9.633  -9.633
  770    H    ARG 103           HN       ARG 103   4.616 -10.744 -10.744
  771    HA   ARG 103           HA       ARG 103   3.542 -13.455 -13.455
  772   1HB   ARG 103           HB1      ARG 103   5.064 -13.241 -13.241
  773   2HB   ARG 103           HB2      ARG 103   6.401 -12.979 -12.979
  774   1HG   ARG 103           HG2      ARG 103   6.620 -15.213 -15.213
  775   2HG   ARG 103           HG1      ARG 103   5.034 -15.262 -15.262
  776   1HD   ARG 103           HD2      ARG 103   4.714 -14.975 -14.975
  777   2HD   ARG 103           HD1      ARG 103   5.725 -16.386 -16.386
  778    HE   ARG 103           HE       ARG 103   2.914 -16.162 -16.162
  779   1HH1  ARG 103          HH21      ARG 103   3.543 -16.266 -16.266
  780   2HH1  ARG 103          HH22      ARG 103   3.905 -17.927 -17.927
  781   1HH2  ARG 103          HH11      ARG 103   4.416 -18.750 -18.750
  782   2HH2  ARG 103          HH12      ARG 103   4.398 -19.334 -19.334
  783    H    GLU 104           HN       GLU 104   6.237 -11.368 -11.368
  784    HA   GLU 104           HA       GLU 104   5.964 -12.364 -12.364
  785   1HB   GLU 104           HB2      GLU 104   8.376 -12.907 -12.907
  786   2HB   GLU 104           HB1      GLU 104   7.560 -13.868 -13.868
  787   1HG   GLU 104           HG2      GLU 104   8.233 -11.955 -11.955
  788   2HG   GLU 104           HG1      GLU 104   9.370 -11.483 -11.483
  789    H    ALA 105           HN       ALA 105   7.120 -10.933 -10.933
  790    HA   ALA 105           HA       ALA 105   6.799  -8.182  -8.182
  791   1HB   ALA 105           HB1      ALA 105   7.243  -9.517  -9.517
  792   2HB   ALA 105           HB3      ALA 105   8.954  -9.453  -9.453
  793   3HB   ALA 105           HB2      ALA 105   8.068  -7.962  -7.962
  794    H    ASP 106           HN       ASP 106   9.410 -10.257 -10.257
  795    HA   ASP 106           HA       ASP 106  11.348  -8.139  -8.139
  796   1HB   ASP 106           HB2      ASP 106  11.082 -11.023 -11.023
  797   2HB   ASP 106           HB1      ASP 106  11.914 -10.351 -10.351
  798    H    ASP 107           HN       ASP 107   8.956  -9.831  -9.831
  799    HA   ASP 107           HA       ASP 107   9.738  -8.725  -8.725
  800   1HB   ASP 107           HB1      ASP 107   7.358 -10.033 -10.033
  801   2HB   ASP 107           HB2      ASP 107   7.082  -9.147  -9.147
  802    H    ILE 108           HN       ILE 108   7.880  -7.426  -7.426
  803    HA   ILE 108           HA       ILE 108   6.738  -5.203  -5.203
  804    HB   ILE 108           HB       ILE 108   7.055  -5.785  -5.785
  805   1HG1  ILE 108          HG12      ILE 108   4.697  -6.121  -6.121
  806   2HG1  ILE 108          HG11      ILE 108   5.703  -7.435  -7.435
  807   1HG2  ILE 108          HG22      ILE 108   6.069  -3.451  -3.451
  808   2HG2  ILE 108          HG21      ILE 108   4.839  -4.142  -4.142
  809   3HG2  ILE 108          HG23      ILE 108   6.392  -3.640  -3.640
  810   1HD1  ILE 108          HD12      ILE 108   4.233  -5.515  -5.515
  811   2HD1  ILE 108          HD11      ILE 108   3.537  -7.043  -7.043
  812   3HD1  ILE 108          HD13      ILE 108   5.003  -7.040  -7.040
  813    H    VAL 109           HN       VAL 109   9.246  -5.434  -5.434
  814    HA   VAL 109           HA       VAL 109  10.109  -2.744  -2.744
  815    HB   VAL 109           HB       VAL 109  11.616  -5.339  -5.339
  816   1HG1  VAL 109          HG21      VAL 109  12.655  -2.738  -2.738
  817   2HG1  VAL 109          HG23      VAL 109  12.567  -3.029  -3.029
  818   3HG1  VAL 109          HG22      VAL 109  13.471  -4.134  -4.134
  819   1HG2  VAL 109          HG11      VAL 109   9.969  -3.493  -3.493
  820   2HG2  VAL 109          HG13      VAL 109   9.884  -5.250  -5.250
  821   3HG2  VAL 109          HG12      VAL 109  11.231  -4.492  -4.492
  822    H    ASN 110           HN       ASN 110  11.122  -5.494  -5.494
  823    HA   ASN 110           HA       ASN 110  13.258  -4.286  -4.286
  824   1HB   ASN 110           HB1      ASN 110  11.278  -6.456  -6.456
  825   2HB   ASN 110           HB2      ASN 110  12.091  -5.875  -5.875
  826   1HD2  ASN 110          HD22      ASN 110  14.231  -8.545  -8.545
  827   2HD2  ASN 110          HD21      ASN 110  12.656  -8.485  -8.485
  828    H    TRP 111           HN       TRP 111   9.837  -4.442  -4.442
  829    HA   TRP 111           HA       TRP 111  10.024  -2.786  -2.786
  830   1HB   TRP 111           HB2      TRP 111   8.078  -4.172  -4.172
  831   2HB   TRP 111           HB1      TRP 111   7.761  -2.963  -2.963
  832    HD1  TRP 111           HD1      TRP 111   7.139  -3.732  -3.732
  833    HE1  TRP 111           HE1      TRP 111   5.904  -1.769  -1.769
  834    HE3  TRP 111           HE3      TRP 111   7.610  -0.184  -0.184
  835    HZ2  TRP 111           HZ2      TRP 111   5.208   0.946   0.946
  836    HZ3  TRP 111           HZ3      TRP 111   6.652   2.080   2.080
  837    HH2  TRP 111           HH2      TRP 111   5.454   2.649   2.649
  838    H    LEU 112           HN       LEU 112   9.916  -1.944  -1.944
  839    HA   LEU 112           HA       LEU 112   9.488   0.922   0.922
  840   1HB   LEU 112           HB2      LEU 112  10.035  -0.872  -0.872
  841   2HB   LEU 112           HB1      LEU 112  10.061   0.881   0.881
  842    HG   LEU 112           HG       LEU 112   7.726  -0.264  -0.264
  843   1HD1  LEU 112          HD11      LEU 112   8.369  -0.797  -0.797
  844   2HD1  LEU 112          HD13      LEU 112   6.691  -0.556  -0.556
  845   3HD1  LEU 112          HD12      LEU 112   7.635  -1.871  -1.871
  846   1HD2  LEU 112          HD22      LEU 112   8.215   1.913   1.913
  847   2HD2  LEU 112          HD21      LEU 112   7.791   2.109   2.109
  848   3HD2  LEU 112          HD23      LEU 112   6.602   1.475   1.475
  849    H    LYS 113           HN       LYS 113  12.189  -1.252  -1.252
  850    HA   LYS 113           HA       LYS 113  14.208   0.639   0.639
  851   1HB   LYS 113           HB2      LYS 113  13.964  -2.139  -2.139
  852   2HB   LYS 113           HB1      LYS 113  15.503  -1.358  -1.358
  853   1HG   LYS 113           HG2      LYS 113  16.083  -1.150  -1.150
  854   2HG   LYS 113           HG1      LYS 113  14.406  -1.070  -1.070
  855   1HD   LYS 113           HD2      LYS 113  14.456  -3.270  -3.270
  856   2HD   LYS 113           HD1      LYS 113  14.795  -3.615  -3.615
  857   1HE   LYS 113           HE2      LYS 113  16.922  -4.193  -4.193
  858   2HE   LYS 113           HE1      LYS 113  17.190  -2.627  -2.627
  859   1HZ   LYS 113           HZ1      LYS 113  15.632  -4.813  -4.813
  860   2HZ   LYS 113           HZ3      LYS 113  17.301  -4.633  -4.633
  861   3HZ   LYS 113           HZ2      LYS 113  16.236  -3.404  -3.404
  862    H    LYS 114           HN       LYS 114  12.609  -0.006  -0.006
  863    HA   LYS 114           HA       LYS 114  14.517   0.615   0.615
  864   1HB   LYS 114           HB2      LYS 114  12.572   1.350   1.350
  865   2HB   LYS 114           HB1      LYS 114  12.144  -0.060  -0.060
  866   1HG   LYS 114           HG2      LYS 114  11.139   1.409   1.409
  867   2HG   LYS 114           HG1      LYS 114  11.570   2.824   2.824
  868   1HD   LYS 114           HD2      LYS 114  10.085   0.755   0.755
  869   2HD   LYS 114           HD1      LYS 114   9.170   1.507   1.507
  870   1HE   LYS 114           HE2      LYS 114   8.803   2.860   2.860
  871   2HE   LYS 114           HE1      LYS 114   9.939   3.764   3.764
  872   1HZ   LYS 114           HZ2      LYS 114  10.843   1.821   1.821
  873   2HZ   LYS 114           HZ1      LYS 114  10.613   3.465   3.465
  874   3HZ   LYS 114           HZ3      LYS 114  11.763   3.006   3.006
  875    H    ARG 115           HN       ARG 115  12.808   2.834   2.834
  876    HA   ARG 115           HA       ARG 115  14.442   5.088   5.088
  877   1HB   ARG 115           HB2      ARG 115  11.641   4.716   4.716
  878   2HB   ARG 115           HB1      ARG 115  12.239   6.002   6.002
  879   1HG   ARG 115           HG2      ARG 115  13.480   6.612   6.612
  880   2HG   ARG 115           HG1      ARG 115  11.945   5.955   5.955
  881   1HD   ARG 115           HD2      ARG 115  11.175   8.082   8.082
  882   2HD   ARG 115           HD1      ARG 115  11.120   7.565   7.565
  883    HE   ARG 115           HE       ARG 115  13.689   8.322   8.322
  884   1HH1  ARG 115          HH11      ARG 115  12.540   9.730   9.730
  885   2HH1  ARG 115          HH12      ARG 115  12.437  11.352  11.352
  886   1HH2  ARG 115          HH21      ARG 115  12.838  10.444  10.444
  887   2HH2  ARG 115          HH22      ARG 115  12.606  11.758  11.758
  888    H    THR 116           HN       THR 116  13.659   3.221   3.221
  889    HA   THR 116           HA       THR 116  15.054   5.191   5.191
  890    HB   THR 116           HB       THR 116  14.001   3.760   3.760
  891    HG1  THR 116           HG1      THR 116  13.409   1.877   1.877
  892   1HG2  THR 116          HG23      THR 116  12.923   5.805   5.805
  893   2HG2  THR 116          HG22      THR 116  11.937   4.640   4.640
  894   3HG2  THR 116          HG21      THR 116  11.848   4.713   4.713
  895    H    GLY 117           HN       GLY 117  16.450   3.378   3.378
  896   1HA   GLY 117           HA2      GLY 117  17.674   1.325   1.325
  897   2HA   GLY 117           HA1      GLY 117  18.024   1.580   1.580
  898    HA   PRO 118           HA       PRO 118  21.365   3.502   3.502
  899   1HB   PRO 118           HB2      PRO 118  23.456   2.043   2.043
  900   2HB   PRO 118           HB1      PRO 118  22.499   1.530   1.530
  901   1HG   PRO 118           HG2      PRO 118  22.348   0.634   0.634
  902   2HG   PRO 118           HG1      PRO 118  22.174  -0.306  -0.306
  903   1HD   PRO 118           HD2      PRO 118  20.064   0.510   0.510
  904   2HD   PRO 118           HD1      PRO 118  19.957   0.208   0.208
  905    H    ALA 119           HN       ALA 119  20.335   4.936   4.936
  906    HA   ALA 119           HA       ALA 119  20.793   6.378   6.378
  907   1HB   ALA 119           HB1      ALA 119  23.196   5.939   5.939
  908   2HB   ALA 119           HB3      ALA 119  23.572   6.446   6.446
  909   3HB   ALA 119           HB2      ALA 119  22.534   7.448   7.448
  910    H    ALA 120           HN       ALA 120  20.703   3.392   3.392
  911    HA   ALA 120           HA       ALA 120  21.138   1.902   1.902
  912   1HB   ALA 120           HB2      ALA 120  20.075   3.879   3.879
  913   2HB   ALA 120           HB1      ALA 120  21.682   4.550   4.550
  914   3HB   ALA 120           HB3      ALA 120  21.210   3.042   3.042

  Start of MODEL   21
    1   1H    ASP   1           HT2      ASP   1  -1.351  12.361  12.361
    2   2H    ASP   1           HT1      ASP   1   0.177  12.579  12.579
    3   3H    ASP   1           HT3      ASP   1  -0.982  13.813  13.813
    4    HA   ASP   1           HA       ASP   1  -2.373  12.504  12.504
    5   1HB   ASP   1           HB1      ASP   1   0.524  13.003  13.003
    6   2HB   ASP   1           HB2      ASP   1  -0.352  12.080  12.080
    7    H    ALA   2           HN       ALA   2  -3.151  10.447  10.447
    8    HA   ALA   2           HA       ALA   2  -1.232   8.159   8.159
    9   1HB   ALA   2           HB2      ALA   2  -2.811   8.853   8.853
   10   2HB   ALA   2           HB1      ALA   2  -4.005   7.949   7.949
   11   3HB   ALA   2           HB3      ALA   2  -2.525   7.156   7.156
   12    HA   PRO   3           HA       PRO   3  -3.815   7.701   7.701
   13   1HB   PRO   3           HB2      PRO   3  -1.822   6.716   6.716
   14   2HB   PRO   3           HB1      PRO   3  -2.091   8.450   8.450
   15   1HG   PRO   3           HG2      PRO   3  -0.037   6.659   6.659
   16   2HG   PRO   3           HG1      PRO   3   0.068   8.372   8.372
   17   1HD   PRO   3           HD2      PRO   3  -0.263   7.374   7.374
   18   2HD   PRO   3           HD1      PRO   3  -0.616   9.035   9.035
   19    H    GLU   4           HN       GLU   4  -4.791   5.765   5.765
   20    HA   GLU   4           HA       GLU   4  -4.258   3.356   3.356
   21   1HB   GLU   4           HB1      GLU   4  -6.375   4.523   4.523
   22   2HB   GLU   4           HB2      GLU   4  -5.969   3.112   3.112
   23   1HG   GLU   4           HG1      GLU   4  -7.217   3.247   3.247
   24   2HG   GLU   4           HG2      GLU   4  -7.194   1.920   1.920
   25    H    GLU   5           HN       GLU   5  -3.180   1.498   1.498
   26    HA   GLU   5           HA       GLU   5  -2.446   1.187   1.187
   27   1HB   GLU   5           HB2      GLU   5  -0.006   1.100   1.100
   28   2HB   GLU   5           HB1      GLU   5  -0.730   2.695   2.695
   29   1HG   GLU   5           HG2      GLU   5  -0.407   2.717   2.717
   30   2HG   GLU   5           HG1      GLU   5  -0.999   1.065   1.065
   31    H    GLU   6           HN       GLU   6  -0.772  -0.772  -0.772
   32    HA   GLU   6           HA       GLU   6  -1.759  -2.863  -2.863
   33   1HB   GLU   6           HB1      GLU   6  -1.747  -2.657  -2.657
   34   2HB   GLU   6           HB2      GLU   6  -1.272  -4.225  -4.225
   35   1HG   GLU   6           HG2      GLU   6  -3.527  -3.318  -3.318
   36   2HG   GLU   6           HG1      GLU   6  -3.907  -3.122  -3.122
   37    H    ASP   7           HN       ASP   7  -0.159  -4.955  -4.955
   38    HA   ASP   7           HA       ASP   7   2.322  -4.538  -4.538
   39   1HB   ASP   7           HB2      ASP   7   1.205  -6.514  -6.514
   40   2HB   ASP   7           HB1      ASP   7   2.885  -6.649  -6.649
   41    H    HIS   8           HN       HIS   8   3.549  -2.774  -2.774
   42    HA   HIS   8           HA       HIS   8   4.946  -1.552  -1.552
   43   1HB   HIS   8           HB1      HIS   8   5.180  -4.427  -4.427
   44   2HB   HIS   8           HB2      HIS   8   6.224  -3.144  -3.144
   45    HD1  HIS   8           HD1      HIS   8   8.013  -2.193  -2.193
   46    HD2  HIS   8           HD2      HIS   8   5.599  -5.088  -5.088
   47    HE1  HIS   8           HE1      HIS   8   9.105  -2.776  -2.776
   48    H    VAL   9           HN       VAL   9   2.040  -1.941  -1.941
   49    HA   VAL   9           HA       VAL   9   2.366  -1.113  -1.113
   50    HB   VAL   9           HB       VAL   9   0.662  -3.394  -3.394
   51   1HG1  VAL   9          HG13      VAL   9  -0.552  -1.902  -1.902
   52   2HG1  VAL   9          HG12      VAL   9   0.708  -2.288  -2.288
   53   3HG1  VAL   9          HG11      VAL   9  -0.330  -3.566  -3.566
   54   1HG2  VAL   9          HG23      VAL   9   3.120  -3.114  -3.114
   55   2HG2  VAL   9          HG22      VAL   9   2.668  -4.388  -4.388
   56   3HG2  VAL   9          HG21      VAL   9   1.968  -4.357  -4.357
   57    H    LEU  10           HN       LEU  10   0.622   0.273   0.273
   58    HA   LEU  10           HA       LEU  10  -1.008   1.335   1.335
   59   1HB   LEU  10           HB2      LEU  10   0.420   2.410   2.410
   60   2HB   LEU  10           HB1      LEU  10  -1.238   2.984   2.984
   61    HG   LEU  10           HG       LEU  10   0.281   4.466   4.466
   62   1HD1  LEU  10          HD22      LEU  10  -2.161   4.082   4.082
   63   2HD1  LEU  10          HD21      LEU  10  -1.605   2.967   2.967
   64   3HD1  LEU  10          HD23      LEU  10  -1.158   4.671   4.671
   65   1HD2  LEU  10          HD13      LEU  10   1.285   1.974   1.974
   66   2HD2  LEU  10          HD12      LEU  10   1.843   3.590   3.590
   67   3HD2  LEU  10          HD11      LEU  10   0.592   2.804   2.804
   68    H    VAL  11           HN       VAL  11  -3.040   2.472   2.472
   69    HA   VAL  11           HA       VAL  11  -4.471   0.671   0.671
   70    HB   VAL  11           HB       VAL  11  -5.443   1.487   1.487
   71   1HG1  VAL  11          HG12      VAL  11  -6.651  -0.154  -0.154
   72   2HG1  VAL  11          HG11      VAL  11  -7.224  -0.257  -0.257
   73   3HG1  VAL  11          HG13      VAL  11  -7.331   1.269   1.269
   74   1HG2  VAL  11          HG22      VAL  11  -4.498  -1.187  -1.187
   75   2HG2  VAL  11          HG21      VAL  11  -3.667  -0.201  -0.201
   76   3HG2  VAL  11          HG23      VAL  11  -5.223  -0.935  -0.935
   77    H    LEU  12           HN       LEU  12  -5.915   1.857   1.857
   78    HA   LEU  12           HA       LEU  12  -6.137   4.771   4.771
   79   1HB   LEU  12           HB2      LEU  12  -5.768   3.162   3.162
   80   2HB   LEU  12           HB1      LEU  12  -6.599   4.711   4.711
   81    HG   LEU  12           HG       LEU  12  -4.211   5.040   5.040
   82   1HD1  LEU  12          HD11      LEU  12  -5.724   6.499   6.499
   83   2HD1  LEU  12          HD13      LEU  12  -4.376   6.057   6.057
   84   3HD1  LEU  12          HD12      LEU  12  -4.075   6.930   6.930
   85   1HD2  LEU  12          HD23      LEU  12  -3.659   2.961   2.961
   86   2HD2  LEU  12          HD22      LEU  12  -2.525   4.312   4.312
   87   3HD2  LEU  12          HD21      LEU  12  -3.633   4.119   4.119
   88    H    ARG  13           HN       ARG  13  -8.142   5.811   5.811
   89    HA   ARG  13           HA       ARG  13 -10.476   4.038   4.038
   90   1HB   ARG  13           HB1      ARG  13 -11.606   5.042   5.042
   91   2HB   ARG  13           HB2      ARG  13 -10.161   4.135   4.135
   92   1HG   ARG  13           HG2      ARG  13  -9.048   5.989   5.989
   93   2HG   ARG  13           HG1      ARG  13  -9.671   6.975   6.975
   94   1HD   ARG  13           HD2      ARG  13 -10.870   7.960   7.960
   95   2HD   ARG  13           HD1      ARG  13 -11.959   6.588   6.588
   96    HE   ARG  13           HE       ARG  13 -10.009   6.835   6.835
   97   1HH1  ARG  13          HH21      ARG  13  -9.443   4.168   4.168
   98   2HH1  ARG  13          HH22      ARG  13 -10.783   3.254   3.254
   99   1HH2  ARG  13          HH11      ARG  13 -12.928   5.974   5.974
  100   2HH2  ARG  13          HH12      ARG  13 -12.755   4.276   4.276
  101    H    LYS  14           HN       LYS  14 -12.172   6.455   6.455
  102    HA   LYS  14           HA       LYS  14 -11.976   7.866   7.866
  103   1HB   LYS  14           HB2      LYS  14 -13.973   7.169   7.169
  104   2HB   LYS  14           HB1      LYS  14 -14.048   8.895   8.895
  105   1HG   LYS  14           HG1      LYS  14 -13.835   8.072   8.072
  106   2HG   LYS  14           HG2      LYS  14 -14.466   6.565   6.565
  107   1HD   LYS  14           HD1      LYS  14 -16.372   7.844   7.844
  108   2HD   LYS  14           HD2      LYS  14 -16.318   7.953   7.953
  109   1HE   LYS  14           HE2      LYS  14 -14.696  10.066  10.066
  110   2HE   LYS  14           HE1      LYS  14 -16.270  10.106  10.106
  111   1HZ   LYS  14           HZ2      LYS  14 -17.315   9.823   9.823
  112   2HZ   LYS  14           HZ1      LYS  14 -15.786  10.004  10.004
  113   3HZ   LYS  14           HZ3      LYS  14 -16.469  11.288  11.288
  114    H    SER  15           HN       SER  15 -10.992   8.362   8.362
  115    HA   SER  15           HA       SER  15 -10.633  11.294  11.294
  116   1HB   SER  15           HB1      SER  15 -12.220  10.383  10.383
  117   2HB   SER  15           HB2      SER  15 -10.743   9.962   9.962
  118    HG   SER  15           HG       SER  15 -11.559  12.523  12.523
  119    H    ASN  16           HN       ASN  16  -8.852   8.557   8.557
  120    HA   ASN  16           HA       ASN  16  -6.487   9.820   9.820
  121   1HB   ASN  16           HB2      ASN  16  -7.201   6.921   6.921
  122   2HB   ASN  16           HB1      ASN  16  -5.706   7.462   7.462
  123   1HD2  ASN  16          HD22      ASN  16  -7.841   6.772   6.772
  124   2HD2  ASN  16          HD21      ASN  16  -6.877   5.946   5.946
  125    H    PHE  17           HN       PHE  17  -7.649   8.142   8.142
  126    HA   PHE  17           HA       PHE  17  -5.297   7.656   7.656
  127   1HB   PHE  17           HB1      PHE  17  -7.634   7.133   7.133
  128   2HB   PHE  17           HB2      PHE  17  -7.897   8.840   8.840
  129    HD1  PHE  17           HD2      PHE  17  -6.431   9.979   9.979
  130    HD2  PHE  17           HD1      PHE  17  -6.565   5.718   5.718
  131    HE1  PHE  17           HE2      PHE  17  -5.447   9.672   9.672
  132    HE2  PHE  17           HE1      PHE  17  -5.584   5.411   5.411
  133    HZ   PHE  17           HZ       PHE  17  -5.010   7.414   7.414
  134    H    ALA  18           HN       ALA  18  -7.226  10.655  10.655
  135    HA   ALA  18           HA       ALA  18  -5.344  12.131  12.131
  136   1HB   ALA  18           HB3      ALA  18  -7.748  12.662  12.662
  137   2HB   ALA  18           HB2      ALA  18  -7.372  13.095  13.095
  138   3HB   ALA  18           HB1      ALA  18  -6.710  14.046  14.046
  139    H    GLU  19           HN       GLU  19  -5.219  11.224  11.224
  140    HA   GLU  19           HA       GLU  19  -3.412  13.444  13.444
  141   1HB   GLU  19           HB1      GLU  19  -5.280  12.493  12.493
  142   2HB   GLU  19           HB2      GLU  19  -4.317  11.025  11.025
  143   1HG   GLU  19           HG2      GLU  19  -2.799  12.006  12.006
  144   2HG   GLU  19           HG1      GLU  19  -2.878  13.555  13.555
  145    H    ALA  20           HN       ALA  20  -3.344   9.865   9.865
  146    HA   ALA  20           HA       ALA  20  -0.668   9.414   9.414
  147   1HB   ALA  20           HB3      ALA  20  -2.614   7.805   7.805
  148   2HB   ALA  20           HB2      ALA  20  -2.221   7.932   7.932
  149   3HB   ALA  20           HB1      ALA  20  -1.038   7.270   7.270
  150    H    LEU  21           HN       LEU  21  -2.024   9.971   9.971
  151    HA   LEU  21           HA       LEU  21   0.377   9.748   9.748
  152   1HB   LEU  21           HB1      LEU  21  -2.298  10.944  10.944
  153   2HB   LEU  21           HB2      LEU  21  -1.077  11.685  11.685
  154    HG   LEU  21           HG       LEU  21  -0.466   9.088   9.088
  155   1HD1  LEU  21          HD11      LEU  21  -3.111   9.125   9.125
  156   2HD1  LEU  21          HD13      LEU  21  -3.142   8.389   8.389
  157   3HD1  LEU  21          HD12      LEU  21  -2.067   7.751   7.751
  158   1HD2  LEU  21          HD21      LEU  21  -2.578  10.763  10.763
  159   2HD2  LEU  21          HD23      LEU  21  -0.873  10.621  10.621
  160   3HD2  LEU  21          HD22      LEU  21  -1.958   9.252   9.252
  161    H    ALA  22           HN       ALA  22  -1.135  12.753  12.753
  162    HA   ALA  22           HA       ALA  22   1.163  14.403  14.403
  163   1HB   ALA  22           HB2      ALA  22  -1.463  14.592  14.592
  164   2HB   ALA  22           HB1      ALA  22  -0.254  15.761  15.761
  165   3HB   ALA  22           HB3      ALA  22  -0.726  15.689  15.689
  166    H    ALA  23           HN       ALA  23   0.307  12.320  12.320
  167    HA   ALA  23           HA       ALA  23   1.875  13.492  13.492
  168   1HB   ALA  23           HB2      ALA  23   0.054  11.736  11.736
  169   2HB   ALA  23           HB1      ALA  23   1.210  10.574  10.574
  170   3HB   ALA  23           HB3      ALA  23   1.510  11.332  11.332
  171    H    HIS  24           HN       HIS  24   2.623  10.725  10.725
  172    HA   HIS  24           HA       HIS  24   5.536  11.314  11.314
  173   1HB   HIS  24           HB2      HIS  24   3.921   8.780   8.780
  174   2HB   HIS  24           HB1      HIS  24   5.643   8.765   8.765
  175    HD1  HIS  24           HD1      HIS  24   7.030   8.175   8.175
  176    HD2  HIS  24           HD2      HIS  24   3.566  10.202  10.202
  177    HE1  HIS  24           HE1      HIS  24   7.089   8.339   8.339
  178    H    LYS  25           HN       LYS  25   6.862  11.267  11.267
  179    HA   LYS  25           HA       LYS  25   5.802  12.104  12.104
  180   1HB   LYS  25           HB2      LYS  25   8.203  12.085  12.085
  181   2HB   LYS  25           HB1      LYS  25   8.289  10.415  10.415
  182   1HG   LYS  25           HG2      LYS  25   7.409  11.405  11.405
  183   2HG   LYS  25           HG1      LYS  25   7.991  12.938  12.938
  184   1HD   LYS  25           HD2      LYS  25   9.864  10.657  10.657
  185   2HD   LYS  25           HD1      LYS  25   9.562  11.209  11.209
  186   1HE   LYS  25           HE2      LYS  25  10.138  13.242  13.242
  187   2HE   LYS  25           HE1      LYS  25  11.478  12.361  12.361
  188   1HZ   LYS  25           HZ2      LYS  25   9.305  13.677  13.677
  189   2HZ   LYS  25           HZ1      LYS  25  10.788  14.435  14.435
  190   3HZ   LYS  25           HZ3      LYS  25  10.755  13.029  13.029
  191    H    TYR  26           HN       TYR  26   7.166   8.829   8.829
  192    HA   TYR  26           HA       TYR  26   5.560   7.783   7.783
  193   1HB   TYR  26           HB2      TYR  26   7.496   6.400   6.400
  194   2HB   TYR  26           HB1      TYR  26   6.957   5.810   5.810
  195    HD1  TYR  26           HD2      TYR  26   7.110   8.072   8.072
  196    HD2  TYR  26           HD1      TYR  26   9.747   6.981   6.981
  197    HE1  TYR  26           HE2      TYR  26   8.954   9.318   9.318
  198    HE2  TYR  26           HE1      TYR  26  11.593   8.226   8.226
  199    HH   TYR  26           HH       TYR  26  11.062  10.371  10.371
  200    H    LEU  27           HN       LEU  27   3.515   7.041   7.041
  201    HA   LEU  27           HA       LEU  27   3.016   5.738   5.738
  202   1HB   LEU  27           HB1      LEU  27   2.043   8.152   8.152
  203   2HB   LEU  27           HB2      LEU  27   0.764   7.062   7.062
  204    HG   LEU  27           HG       LEU  27   0.320   7.840   7.840
  205   1HD1  LEU  27          HD22      LEU  27   1.130   4.944   4.944
  206   2HD1  LEU  27          HD21      LEU  27   0.305   5.556   5.556
  207   3HD1  LEU  27          HD23      LEU  27  -0.486   5.637   5.637
  208   1HD2  LEU  27          HD12      LEU  27   2.930   8.005   8.005
  209   2HD2  LEU  27          HD11      LEU  27   1.850   7.691   7.691
  210   3HD2  LEU  27          HD13      LEU  27   2.732   6.360   6.360
  211    H    LEU  28           HN       LEU  28   2.736   3.586   3.586
  212    HA   LEU  28           HA       LEU  28   1.472   2.814   2.814
  213   1HB   LEU  28           HB1      LEU  28   3.583   1.768   1.768
  214   2HB   LEU  28           HB2      LEU  28   2.779   1.216   1.216
  215    HG   LEU  28           HG       LEU  28   1.108   0.030   0.030
  216   1HD1  LEU  28          HD13      LEU  28   2.108   1.501   1.501
  217   2HD1  LEU  28          HD12      LEU  28   3.213   0.132   0.132
  218   3HD1  LEU  28          HD11      LEU  28   1.475  -0.119  -0.119
  219   1HD2  LEU  28          HD22      LEU  28   3.999  -0.674  -0.674
  220   2HD2  LEU  28          HD21      LEU  28   2.572  -1.458  -1.458
  221   3HD2  LEU  28          HD23      LEU  28   2.996  -1.708  -1.708
  222    H    VAL  29           HN       VAL  29  -0.629   2.110   2.110
  223    HA   VAL  29           HA       VAL  29  -2.003   1.567   1.567
  224    HB   VAL  29           HB       VAL  29  -3.113   2.670   2.670
  225   1HG1  VAL  29          HG21      VAL  29  -4.265   2.251   2.251
  226   2HG1  VAL  29          HG23      VAL  29  -5.015   3.310   3.310
  227   3HG1  VAL  29          HG22      VAL  29  -4.853   1.584   1.584
  228   1HG2  VAL  29          HG13      VAL  29  -1.449   4.142   4.142
  229   2HG2  VAL  29          HG12      VAL  29  -3.055   4.836   4.836
  230   3HG2  VAL  29          HG11      VAL  29  -2.603   4.154   4.154
  231    H    GLU  30           HN       GLU  30  -3.332  -0.269  -0.269
  232    HA   GLU  30           HA       GLU  30  -3.372  -2.018  -2.018
  233   1HB   GLU  30           HB1      GLU  30  -1.731  -2.864  -2.864
  234   2HB   GLU  30           HB2      GLU  30  -2.807  -2.622  -2.622
  235   1HG   GLU  30           HG2      GLU  30  -4.348  -4.337  -4.337
  236   2HG   GLU  30           HG1      GLU  30  -3.213  -4.610  -4.610
  237    H    PHE  31           HN       PHE  31  -5.483  -2.330  -2.330
  238    HA   PHE  31           HA       PHE  31  -7.654  -1.965  -1.965
  239   1HB   PHE  31           HB2      PHE  31  -7.478  -2.141  -2.141
  240   2HB   PHE  31           HB1      PHE  31  -9.014  -2.050  -2.050
  241    HD1  PHE  31           HD1      PHE  31  -9.286  -0.094  -0.094
  242    HD2  PHE  31           HD2      PHE  31  -6.325  -0.173  -0.173
  243    HE1  PHE  31           HE1      PHE  31  -9.046   2.369   2.369
  244    HE2  PHE  31           HE2      PHE  31  -6.084   2.289   2.289
  245    HZ   PHE  31           HZ       PHE  31  -7.446   3.560   3.560
  246    H    TYR  32           HN       TYR  32  -8.418  -3.807  -3.807
  247    HA   TYR  32           HA       TYR  32  -8.820  -6.239  -6.239
  248   1HB   TYR  32           HB2      TYR  32  -7.416  -7.609  -7.609
  249   2HB   TYR  32           HB1      TYR  32  -6.479  -6.141  -6.141
  250    HD1  TYR  32           HD2      TYR  32  -6.569  -4.320  -4.320
  251    HD2  TYR  32           HD1      TYR  32  -7.938  -8.340  -8.340
  252    HE1  TYR  32           HE2      TYR  32  -6.401  -3.984  -3.984
  253    HE2  TYR  32           HE1      TYR  32  -7.768  -8.003  -8.003
  254    HH   TYR  32           HH       TYR  32  -6.056  -5.663  -5.663
  255    H    ALA  33           HN       ALA  33 -10.084  -7.920  -7.920
  256    HA   ALA  33           HA       ALA  33 -11.875  -6.526  -6.526
  257   1HB   ALA  33           HB1      ALA  33 -12.844  -7.066  -7.066
  258   2HB   ALA  33           HB3      ALA  33 -12.493  -8.770  -8.770
  259   3HB   ALA  33           HB2      ALA  33 -13.659  -7.922  -7.922
  260    HA   PRO  34           HA       PRO  34 -10.861  -9.698  -9.698
  261   1HB   PRO  34           HB2      PRO  34 -13.248 -10.089 -10.089
  262   2HB   PRO  34           HB1      PRO  34 -12.227  -8.661  -8.661
  263   1HG   PRO  34           HG2      PRO  34 -14.662  -8.978  -8.978
  264   2HG   PRO  34           HG1      PRO  34 -14.177  -7.623  -7.623
  265   1HD   PRO  34           HD2      PRO  34 -13.874  -7.604  -7.604
  266   2HD   PRO  34           HD1      PRO  34 -12.793  -6.728  -6.728
  267    H    TRP  35           HN       TRP  35 -13.246 -10.208 -10.208
  268    HA   TRP  35           HA       TRP  35 -13.261 -13.151 -13.151
  269   1HB   TRP  35           HB1      TRP  35 -15.376 -13.125 -13.125
  270   2HB   TRP  35           HB2      TRP  35 -15.434 -11.957 -11.957
  271    HD1  TRP  35           HD1      TRP  35 -15.408  -9.389  -9.389
  272    HE1  TRP  35           HE1      TRP  35 -15.822  -8.120  -8.120
  273    HE3  TRP  35           HE3      TRP  35 -15.067 -13.255 -13.255
  274    HZ2  TRP  35           HZ2      TRP  35 -15.985  -8.672  -8.672
  275    HZ3  TRP  35           HZ3      TRP  35 -15.356 -12.855 -12.855
  276    HH2  TRP  35           HH2      TRP  35 -15.813 -10.572 -10.572
  277    H    CYS  36           HN       CYS  36 -11.727 -10.906 -10.906
  278    HA   CYS  36           HA       CYS  36 -11.881 -11.843 -11.843
  279   1HB   CYS  36           HB2      CYS  36 -10.627  -9.881  -9.881
  280   2HB   CYS  36           HB1      CYS  36  -9.521 -10.895 -10.895
  281    H    GLY  37           HN       GLY  37 -10.318 -13.305 -13.305
  282   1HA   GLY  37           HA2      GLY  37 -10.136 -15.860 -15.860
  283   2HA   GLY  37           HA1      GLY  37  -9.632 -15.536 -15.536
  284    H    HIS  38           HN       HIS  38  -7.477 -14.628 -14.628
  285    HA   HIS  38           HA       HIS  38  -5.556 -15.664 -15.664
  286   1HB   HIS  38           HB2      HIS  38  -5.658 -14.889 -14.889
  287   2HB   HIS  38           HB1      HIS  38  -4.091 -14.744 -14.744
  288    HD1  HIS  38           HD1      HIS  38  -3.354 -17.011 -17.011
  289    HD2  HIS  38           HD2      HIS  38  -6.231 -17.478 -17.478
  290    HE1  HIS  38           HE1      HIS  38  -3.422 -19.484 -19.484
  291    H    CYS  39           HN       CYS  39  -7.024 -13.014 -13.014
  292    HA   CYS  39           HA       CYS  39  -4.972 -10.947 -10.947
  293   1HB   CYS  39           HB2      CYS  39  -7.663 -11.218 -11.218
  294   2HB   CYS  39           HB1      CYS  39  -6.688  -9.767  -9.767
  295    H    LYS  40           HN       LYS  40  -5.871 -13.344 -13.344
  296    HA   LYS  40           HA       LYS  40  -4.416 -12.022 -12.022
  297   1HB   LYS  40           HB2      LYS  40  -5.220 -13.941 -13.941
  298   2HB   LYS  40           HB1      LYS  40  -6.535 -13.308 -13.308
  299   1HG   LYS  40           HG2      LYS  40  -6.709 -15.592 -15.592
  300   2HG   LYS  40           HG1      LYS  40  -5.673 -15.080 -15.080
  301   1HD   LYS  40           HD2      LYS  40  -3.850 -16.152 -16.152
  302   2HD   LYS  40           HD1      LYS  40  -4.256 -15.762 -15.762
  303   1HE   LYS  40           HE2      LYS  40  -6.261 -17.548 -17.548
  304   2HE   LYS  40           HE1      LYS  40  -4.653 -18.247 -18.247
  305   1HZ   LYS  40           HZ1      LYS  40  -4.152 -17.468 -17.468
  306   2HZ   LYS  40           HZ3      LYS  40  -5.830 -17.314 -17.314
  307   3HZ   LYS  40           HZ2      LYS  40  -5.153 -18.830 -18.830
  308    H    ALA  41           HN       ALA  41  -3.743 -14.301 -14.301
  309    HA   ALA  41           HA       ALA  41  -1.624 -15.795 -15.795
  310   1HB   ALA  41           HB2      ALA  41  -2.979 -15.620 -15.620
  311   2HB   ALA  41           HB1      ALA  41  -1.286 -15.306 -15.306
  312   3HB   ALA  41           HB3      ALA  41  -1.741 -16.799 -16.799
  313    H    LEU  42           HN       LEU  42  -1.784 -12.560 -12.560
  314    HA   LEU  42           HA       LEU  42   1.184 -12.326 -12.326
  315   1HB   LEU  42           HB1      LEU  42  -0.916 -11.376 -11.376
  316   2HB   LEU  42           HB2      LEU  42  -0.427  -9.964  -9.964
  317    HG   LEU  42           HG       LEU  42   2.010 -10.825 -10.825
  318   1HD1  LEU  42          HD11      LEU  42   0.143 -11.953 -11.953
  319   2HD1  LEU  42          HD13      LEU  42   1.843 -11.618 -11.618
  320   3HD1  LEU  42          HD12      LEU  42   1.401 -12.802 -12.802
  321   1HD2  LEU  42          HD22      LEU  42   0.031  -9.061  -9.061
  322   2HD2  LEU  42          HD21      LEU  42   1.637  -8.682  -8.682
  323   3HD2  LEU  42          HD23      LEU  42   1.463  -9.477  -9.477
  324    H    ALA  43           HN       ALA  43  -1.359 -11.833 -11.833
  325    HA   ALA  43           HA       ALA  43  -0.883  -9.402  -9.402
  326   1HB   ALA  43           HB3      ALA  43  -2.216 -11.830 -11.830
  327   2HB   ALA  43           HB2      ALA  43  -1.200 -11.582 -11.582
  328   3HB   ALA  43           HB1      ALA  43  -2.367 -10.347 -10.347
  329    HA   PRO  44           HA       PRO  44   2.641 -11.327 -11.327
  330   1HB   PRO  44           HB2      PRO  44   3.645 -13.766 -13.766
  331   2HB   PRO  44           HB1      PRO  44   2.304 -13.568 -13.568
  332   1HG   PRO  44           HG2      PRO  44   2.261 -14.345 -14.345
  333   2HG   PRO  44           HG1      PRO  44   1.224 -14.878 -14.878
  334   1HD   PRO  44           HD1      PRO  44   0.509 -13.026 -13.026
  335   2HD   PRO  44           HD2      PRO  44  -0.248 -13.174 -13.174
  336    H    GLU  45           HN       GLU  45   2.514 -11.302 -11.302
  337    HA   GLU  45           HA       GLU  45   5.479 -11.143 -11.143
  338   1HB   GLU  45           HB2      GLU  45   3.223 -11.095 -11.095
  339   2HB   GLU  45           HB1      GLU  45   4.942 -11.256 -11.256
  340   1HG   GLU  45           HG2      GLU  45   5.033 -13.374 -13.374
  341   2HG   GLU  45           HG1      GLU  45   3.338 -13.206 -13.206
  342    H    TYR  46           HN       TYR  46   2.494  -9.325  -9.325
  343    HA   TYR  46           HA       TYR  46   3.853  -6.869  -6.869
  344   1HB   TYR  46           HB2      TYR  46   1.731  -7.060  -7.060
  345   2HB   TYR  46           HB1      TYR  46   1.098  -7.927  -7.927
  346    HD1  TYR  46           HD2      TYR  46   2.060  -4.576  -4.576
  347    HD2  TYR  46           HD1      TYR  46  -0.045  -6.771  -6.771
  348    HE1  TYR  46           HE2      TYR  46   1.060  -2.469  -2.469
  349    HE2  TYR  46           HE1      TYR  46  -1.052  -4.665  -4.665
  350    HH   TYR  46           HH       TYR  46  -1.522  -2.447  -2.447
  351    H    ALA  47           HN       ALA  47   3.033  -8.428  -8.428
  352    HA   ALA  47           HA       ALA  47   3.091  -5.933  -5.933
  353   1HB   ALA  47           HB1      ALA  47   2.853  -8.885  -8.885
  354   2HB   ALA  47           HB3      ALA  47   2.813  -7.619  -7.619
  355   3HB   ALA  47           HB2      ALA  47   1.556  -7.690  -7.690
  356    H    LYS  48           HN       LYS  48   5.203  -8.645  -8.645
  357    HA   LYS  48           HA       LYS  48   7.231  -7.965  -7.965
  358   1HB   LYS  48           HB2      LYS  48   6.549 -10.158 -10.158
  359   2HB   LYS  48           HB1      LYS  48   7.949  -9.562  -9.562
  360   1HG   LYS  48           HG2      LYS  48   9.097 -10.794 -10.794
  361   2HG   LYS  48           HG1      LYS  48   8.896  -9.335  -9.335
  362   1HD   LYS  48           HD2      LYS  48   6.534 -11.003 -11.003
  363   2HD   LYS  48           HD1      LYS  48   7.974 -11.919 -11.919
  364   1HE   LYS  48           HE2      LYS  48   8.616 -10.117 -10.117
  365   2HE   LYS  48           HE1      LYS  48   7.130  -9.242  -9.242
  366   1HZ   LYS  48           HZ1      LYS  48   5.898 -11.318 -11.318
  367   2HZ   LYS  48           HZ3      LYS  48   7.341 -11.960 -11.960
  368   3HZ   LYS  48           HZ2      LYS  48   6.650 -10.583 -10.583
  369    H    ALA  49           HN       ALA  49   6.490  -7.015  -7.015
  370    HA   ALA  49           HA       ALA  49   8.986  -6.187  -6.187
  371   1HB   ALA  49           HB2      ALA  49   6.138  -5.274  -5.274
  372   2HB   ALA  49           HB1      ALA  49   7.407  -4.331  -4.331
  373   3HB   ALA  49           HB3      ALA  49   7.175  -6.025  -6.025
  374    H    ALA  50           HN       ALA  50   6.701  -4.285  -4.285
  375    HA   ALA  50           HA       ALA  50   8.374  -1.965  -1.965
  376   1HB   ALA  50           HB1      ALA  50   5.970  -3.160  -3.160
  377   2HB   ALA  50           HB3      ALA  50   6.812  -1.892  -1.892
  378   3HB   ALA  50           HB2      ALA  50   6.175  -1.562  -1.562
  379    H    GLY  51           HN       GLY  51   8.390  -5.079  -5.079
  380   1HA   GLY  51           HA2      GLY  51   9.852  -4.259  -4.259
  381   2HA   GLY  51           HA1      GLY  51   9.682  -5.919  -5.919
  382    H    LYS  52           HN       LYS  52  10.728  -5.267  -5.267
  383    HA   LYS  52           HA       LYS  52  13.488  -5.813  -5.813
  384   1HB   LYS  52           HB2      LYS  52  11.774  -4.692  -4.692
  385   2HB   LYS  52           HB1      LYS  52  13.518  -4.827  -4.827
  386   1HG   LYS  52           HG2      LYS  52  12.789  -7.283  -7.283
  387   2HG   LYS  52           HG1      LYS  52  11.489  -6.921  -6.921
  388   1HD   LYS  52           HD2      LYS  52  13.433  -6.292  -6.292
  389   2HD   LYS  52           HD1      LYS  52  14.432  -7.249  -7.249
  390   1HE   LYS  52           HE2      LYS  52  12.202  -8.866  -8.866
  391   2HE   LYS  52           HE1      LYS  52  12.470  -8.161  -8.161
  392   1HZ   LYS  52           HZ2      LYS  52  14.839  -8.703  -8.703
  393   2HZ   LYS  52           HZ1      LYS  52  14.516  -9.476  -9.476
  394   3HZ   LYS  52           HZ3      LYS  52  13.867 -10.095 -10.095
  395    H    LEU  53           HN       LEU  53  11.722  -2.827  -2.827
  396    HA   LEU  53           HA       LEU  53  14.003  -1.040  -1.040
  397   1HB   LEU  53           HB1      LEU  53  11.440  -0.426  -0.426
  398   2HB   LEU  53           HB2      LEU  53  12.426   0.673   0.673
  399    HG   LEU  53           HG       LEU  53  10.676  -1.569  -1.569
  400   1HD1  LEU  53          HD11      LEU  53  10.022   1.008   1.008
  401   2HD1  LEU  53          HD13      LEU  53  10.449   1.178   1.178
  402   3HD1  LEU  53          HD12      LEU  53   9.183   0.049   0.049
  403   1HD2  LEU  53          HD22      LEU  53  12.894  -1.323  -1.323
  404   2HD2  LEU  53          HD21      LEU  53  11.468  -1.051  -1.051
  405   3HD2  LEU  53          HD23      LEU  53  12.404   0.322   0.322
  406    H    LYS  54           HN       LYS  54  12.187  -2.363  -2.363
  407    HA   LYS  54           HA       LYS  54  12.718  -2.461  -2.461
  408   1HB   LYS  54           HB2      LYS  54  14.546  -3.782  -3.782
  409   2HB   LYS  54           HB1      LYS  54  15.525  -2.316  -2.316
  410   1HG   LYS  54           HG2      LYS  54  15.604  -2.217  -2.217
  411   2HG   LYS  54           HG1      LYS  54  14.348  -3.446  -3.446
  412   1HD   LYS  54           HD2      LYS  54  16.308  -4.674  -4.674
  413   2HD   LYS  54           HD1      LYS  54  17.223  -3.783  -3.783
  414   1HE   LYS  54           HE2      LYS  54  15.878  -4.836  -4.836
  415   2HE   LYS  54           HE1      LYS  54  14.969  -5.744  -5.744
  416   1HZ   LYS  54           HZ3      LYS  54  17.217  -6.485  -6.485
  417   2HZ   LYS  54           HZ2      LYS  54  17.864  -5.896  -5.896
  418   3HZ   LYS  54           HZ1      LYS  54  16.722  -7.154  -7.154
  419    H    ALA  55           HN       ALA  55  12.172   0.131   0.131
  420    HA   ALA  55           HA       ALA  55  12.361   2.405   2.405
  421   1HB   ALA  55           HB3      ALA  55  12.796   0.805   0.805
  422   2HB   ALA  55           HB2      ALA  55  14.131   1.959   1.959
  423   3HB   ALA  55           HB1      ALA  55  12.465   2.538   2.538
  424    H    GLU  56           HN       GLU  56  14.503   0.970   0.970
  425    HA   GLU  56           HA       GLU  56  17.100   1.952   1.952
  426   1HB   GLU  56           HB1      GLU  56  17.451   1.612   1.612
  427   2HB   GLU  56           HB2      GLU  56  16.637   0.251   0.251
  428   1HG   GLU  56           HG2      GLU  56  14.690   0.624   0.624
  429   2HG   GLU  56           HG1      GLU  56  14.839   2.375   2.375
  430    H    GLY  57           HN       GLY  57  14.283   3.606   3.606
  431   1HA   GLY  57           HA2      GLY  57  14.324   6.090   6.090
  432   2HA   GLY  57           HA1      GLY  57  15.957   6.055   6.055
  433    H    SER  58           HN       SER  58  13.604   3.922   3.922
  434    HA   SER  58           HA       SER  58  13.915   5.099   5.099
  435   1HB   SER  58           HB1      SER  58  12.745   2.791   2.791
  436   2HB   SER  58           HB2      SER  58  11.607   3.458   3.458
  437    HG   SER  58           HG       SER  58  13.468   1.906   1.906
  438    H    GLU  59           HN       GLU  59  12.564   6.551   6.551
  439    HA   GLU  59           HA       GLU  59  10.531   7.938   7.938
  440   1HB   GLU  59           HB1      GLU  59  10.669   9.590   9.590
  441   2HB   GLU  59           HB2      GLU  59  12.274   9.178   9.178
  442   1HG   GLU  59           HG2      GLU  59  12.123   9.208   9.208
  443   2HG   GLU  59           HG1      GLU  59  12.640   7.656   7.656
  444    H    ILE  60           HN       ILE  60  10.153   5.177   5.177
  445    HA   ILE  60           HA       ILE  60   7.850   5.871   5.871
  446    HB   ILE  60           HB       ILE  60   9.186   3.194   3.194
  447   1HG1  ILE  60          HG12      ILE  60   9.911   4.315   4.315
  448   2HG1  ILE  60          HG11      ILE  60  10.256   5.523   5.523
  449   1HG2  ILE  60          HG21      ILE  60   7.052   4.226   4.226
  450   2HG2  ILE  60          HG23      ILE  60   8.263   3.244   3.244
  451   3HG2  ILE  60          HG22      ILE  60   7.367   2.577   2.577
  452   1HD1  ILE  60          HD12      ILE  60  11.034   2.740   2.740
  453   2HD1  ILE  60          HD11      ILE  60  11.959   3.500   3.500
  454   3HD1  ILE  60          HD13      ILE  60  11.892   4.251   4.251
  455    H    ARG  61           HN       ARG  61   5.875   4.451   4.451
  456    HA   ARG  61           HA       ARG  61   5.571   3.285   3.285
  457   1HB   ARG  61           HB2      ARG  61   4.553   5.887   5.887
  458   2HB   ARG  61           HB1      ARG  61   3.340   4.874   4.874
  459   1HG   ARG  61           HG1      ARG  61   5.359   4.513   4.513
  460   2HG   ARG  61           HG2      ARG  61   5.797   6.113   6.113
  461   1HD   ARG  61           HD2      ARG  61   3.883   7.110   7.110
  462   2HD   ARG  61           HD1      ARG  61   2.936   5.612   5.612
  463    HE   ARG  61           HE       ARG  61   4.805   4.873   4.873
  464   1HH1  ARG  61          HH11      ARG  61   2.179   6.971   6.971
  465   2HH1  ARG  61          HH12      ARG  61   2.516   7.678   7.678
  466   1HH2  ARG  61          HH21      ARG  61   5.602   6.132   6.132
  467   2HH2  ARG  61          HH22      ARG  61   4.454   7.203   7.203
  468    H    LEU  62           HN       LEU  62   4.412   1.431   1.431
  469    HA   LEU  62           HA       LEU  62   2.863   0.918   0.918
  470   1HB   LEU  62           HB1      LEU  62   3.854  -0.632  -0.632
  471   2HB   LEU  62           HB2      LEU  62   2.609  -1.330  -1.330
  472    HG   LEU  62           HG       LEU  62   4.077  -1.010  -1.010
  473   1HD1  LEU  62          HD11      LEU  62   5.741   0.348   0.348
  474   2HD1  LEU  62          HD13      LEU  62   6.586  -0.560  -0.560
  475   3HD1  LEU  62          HD12      LEU  62   5.507   0.762   0.762
  476   1HD2  LEU  62          HD22      LEU  62   5.069  -2.566  -2.566
  477   2HD2  LEU  62          HD21      LEU  62   4.303  -3.166  -3.166
  478   3HD2  LEU  62          HD23      LEU  62   5.969  -2.588  -2.588
  479    H    ALA  63           HN       ALA  63   0.561   0.242   0.242
  480    HA   ALA  63           HA       ALA  63  -0.828   0.759   0.759
  481   1HB   ALA  63           HB1      ALA  63  -0.391   2.759   2.759
  482   2HB   ALA  63           HB3      ALA  63  -2.111   2.374   2.374
  483   3HB   ALA  63           HB2      ALA  63  -1.315   2.896   2.896
  484    H    LYS  64           HN       LYS  64  -3.261   0.439   0.439
  485    HA   LYS  64           HA       LYS  64  -3.978  -1.165  -1.165
  486   1HB   LYS  64           HB1      LYS  64  -4.884  -2.937  -2.937
  487   2HB   LYS  64           HB2      LYS  64  -3.164  -2.915  -2.915
  488   1HG   LYS  64           HG2      LYS  64  -2.625  -2.141  -2.141
  489   2HG   LYS  64           HG1      LYS  64  -4.127  -1.230  -1.230
  490   1HD   LYS  64           HD2      LYS  64  -5.208  -2.970  -2.970
  491   2HD   LYS  64           HD1      LYS  64  -4.548  -4.129  -4.129
  492   1HE   LYS  64           HE1      LYS  64  -2.296  -3.604  -3.604
  493   2HE   LYS  64           HE2      LYS  64  -3.494  -3.310  -3.310
  494   1HZ   LYS  64           HZ1      LYS  64  -4.541  -5.431  -5.431
  495   2HZ   LYS  64           HZ3      LYS  64  -3.344  -5.718  -5.718
  496   3HZ   LYS  64           HZ2      LYS  64  -2.926  -5.658  -5.658
  497    H    VAL  65           HN       VAL  65  -6.274  -1.648  -1.648
  498    HA   VAL  65           HA       VAL  65  -7.978   0.101   0.101
  499    HB   VAL  65           HB       VAL  65  -7.980  -0.141  -0.141
  500   1HG1  VAL  65          HG11      VAL  65 -10.273   0.038   0.038
  501   2HG1  VAL  65          HG13      VAL  65  -9.790   1.465   1.465
  502   3HG1  VAL  65          HG12      VAL  65  -9.809   1.516   1.516
  503   1HG2  VAL  65          HG22      VAL  65  -6.210   1.296   1.296
  504   2HG2  VAL  65          HG21      VAL  65  -7.267   2.148   2.148
  505   3HG2  VAL  65          HG23      VAL  65  -7.528   2.296   2.296
  506    H    ASP  66           HN       ASP  66 -10.198  -0.623  -0.623
  507    HA   ASP  66           HA       ASP  66 -10.519  -3.532  -3.532
  508   1HB   ASP  66           HB2      ASP  66 -11.371  -1.611  -1.611
  509   2HB   ASP  66           HB1      ASP  66 -12.618  -2.762  -2.762
  510    H    ALA  67           HN       ALA  67 -11.225  -3.447  -3.447
  511    HA   ALA  67           HA       ALA  67 -12.949  -1.655  -1.655
  512   1HB   ALA  67           HB3      ALA  67 -11.731  -4.019  -4.019
  513   2HB   ALA  67           HB2      ALA  67 -13.416  -4.534  -4.534
  514   3HB   ALA  67           HB1      ALA  67 -12.919  -3.254  -3.254
  515    H    THR  68           HN       THR  68 -13.758  -4.111  -4.111
  516    HA   THR  68           HA       THR  68 -16.653  -3.948  -3.948
  517    HB   THR  68           HB       THR  68 -16.529  -5.353  -5.353
  518    HG1  THR  68           HG1      THR  68 -14.597  -5.226  -5.226
  519   1HG2  THR  68          HG22      THR  68 -16.817  -6.216  -6.216
  520   2HG2  THR  68          HG21      THR  68 -15.063  -6.389  -6.389
  521   3HG2  THR  68          HG23      THR  68 -15.988  -7.329  -7.329
  522    H    GLU  69           HN       GLU  69 -14.292  -2.270  -2.270
  523    HA   GLU  69           HA       GLU  69 -16.412  -1.126  -1.126
  524   1HB   GLU  69           HB2      GLU  69 -14.145  -2.236  -2.236
  525   2HB   GLU  69           HB1      GLU  69 -13.447  -0.687  -0.687
  526   1HG   GLU  69           HG1      GLU  69 -14.717   0.501   0.501
  527   2HG   GLU  69           HG2      GLU  69 -15.833  -0.844  -0.844
  528    H    GLU  70           HN       GLU  70 -13.575  -0.077  -0.077
  529    HA   GLU  70           HA       GLU  70 -14.840   2.634   2.634
  530   1HB   GLU  70           HB2      GLU  70 -11.977   1.686   1.686
  531   2HB   GLU  70           HB1      GLU  70 -12.509   3.364   3.364
  532   1HG   GLU  70           HG2      GLU  70 -12.244   3.511   3.511
  533   2HG   GLU  70           HG1      GLU  70 -13.575   2.367   2.367
  534    H    SER  71           HN       SER  71 -15.972   0.841   0.841
  535    HA   SER  71           HA       SER  71 -14.694   0.388   0.388
  536   1HB   SER  71           HB2      SER  71 -16.894  -0.506  -0.506
  537   2HB   SER  71           HB1      SER  71 -17.635   0.956   0.956
  538    HG   SER  71           HG       SER  71 -17.732  -0.125  -0.125
  539    H    ASP  72           HN       ASP  72 -15.959   3.307   3.307
  540    HA   ASP  72           HA       ASP  72 -16.783   4.821   4.821
  541   1HB   ASP  72           HB1      ASP  72 -15.279   5.436   5.436
  542   2HB   ASP  72           HB2      ASP  72 -15.722   6.723   6.723
  543    H    LEU  73           HN       LEU  73 -13.450   4.400   4.400
  544    HA   LEU  73           HA       LEU  73 -12.205   5.994   5.994
  545   1HB   LEU  73           HB2      LEU  73 -11.118   3.697   3.697
  546   2HB   LEU  73           HB1      LEU  73 -10.160   4.953   4.953
  547    HG   LEU  73           HG       LEU  73 -12.220   6.168   6.168
  548   1HD1  LEU  73          HD11      LEU  73 -11.724   3.806   3.806
  549   2HD1  LEU  73          HD13      LEU  73 -10.291   4.649   4.649
  550   3HD1  LEU  73          HD12      LEU  73 -11.896   5.260   5.260
  551   1HD2  LEU  73          HD22      LEU  73  -9.640   6.686   6.686
  552   2HD2  LEU  73          HD21      LEU  73 -10.511   7.603   7.603
  553   3HD2  LEU  73          HD23      LEU  73  -9.419   6.303   6.303
  554    H    ALA  74           HN       ALA  74 -12.759   2.495   2.495
  555    HA   ALA  74           HA       ALA  74 -11.432   1.652   1.652
  556   1HB   ALA  74           HB1      ALA  74 -12.258   0.242   0.242
  557   2HB   ALA  74           HB3      ALA  74 -13.907   0.508   0.508
  558   3HB   ALA  74           HB2      ALA  74 -12.759  -0.375  -0.375
  559    H    GLN  75           HN       GLN  75 -14.836   2.589   2.589
  560    HA   GLN  75           HA       GLN  75 -15.812   2.110   2.110
  561   1HB   GLN  75           HB2      GLN  75 -17.085   2.606   2.606
  562   2HB   GLN  75           HB1      GLN  75 -16.619   4.296   4.296
  563   1HG   GLN  75           HG1      GLN  75 -18.422   4.561   4.561
  564   2HG   GLN  75           HG2      GLN  75 -17.619   3.532   3.532
  565   1HE2  GLN  75          HE22      GLN  75 -20.934   2.168   2.168
  566   2HE2  GLN  75          HE21      GLN  75 -20.474   3.801   3.801
  567    H    GLN  76           HN       GLN  76 -14.212   4.953   4.953
  568    HA   GLN  76           HA       GLN  76 -14.568   6.768   6.768
  569   1HB   GLN  76           HB2      GLN  76 -13.016   6.472   6.472
  570   2HB   GLN  76           HB1      GLN  76 -12.061   7.251   7.251
  571   1HG   GLN  76           HG2      GLN  76 -14.863   8.195   8.195
  572   2HG   GLN  76           HG1      GLN  76 -13.777   8.603   8.603
  573   1HE2  GLN  76          HE22      GLN  76 -12.453  11.276  11.276
  574   2HE2  GLN  76          HE21      GLN  76 -12.984  10.681  10.681
  575    H    TYR  77           HN       TYR  77 -12.089   4.303   4.303
  576    HA   TYR  77           HA       TYR  77 -10.620   4.980   4.980
  577   1HB   TYR  77           HB1      TYR  77 -10.380   3.053   3.053
  578   2HB   TYR  77           HB2      TYR  77  -9.410   2.797   2.797
  579    HD1  TYR  77           HD2      TYR  77  -7.767   4.500   4.500
  580    HD2  TYR  77           HD1      TYR  77  -9.962   4.916   4.916
  581    HE1  TYR  77           HE2      TYR  77  -6.175   6.246   6.246
  582    HE2  TYR  77           HE1      TYR  77  -8.370   6.662   6.662
  583    HH   TYR  77           HH       TYR  77  -6.788   8.231   8.231
  584    H    GLY  78           HN       GLY  78 -13.147   2.806   2.806
  585   1HA   GLY  78           HA1      GLY  78 -14.455   1.340   1.340
  586   2HA   GLY  78           HA2      GLY  78 -13.588   1.911   1.911
  587    H    VAL  79           HN       VAL  79 -12.405   0.298   0.298
  588    HA   VAL  79           HA       VAL  79 -10.502  -1.329  -1.329
  589    HB   VAL  79           HB       VAL  79 -10.379  -2.481  -2.481
  590   1HG1  VAL  79          HG21      VAL  79 -10.399   0.413   0.413
  591   2HG1  VAL  79          HG23      VAL  79 -10.763  -0.052  -0.052
  592   3HG1  VAL  79          HG22      VAL  79  -9.270  -0.599  -0.599
  593   1HG2  VAL  79          HG13      VAL  79 -13.026  -1.088  -1.088
  594   2HG2  VAL  79          HG12      VAL  79 -12.713  -2.825  -2.825
  595   3HG2  VAL  79          HG11      VAL  79 -12.061  -1.809  -1.809
  596    H    ARG  80           HN       ARG  80 -10.603  -3.737  -3.737
  597    HA   ARG  80           HA       ARG  80 -13.264  -4.999  -4.999
  598   1HB   ARG  80           HB2      ARG  80 -13.123  -5.430  -5.430
  599   2HB   ARG  80           HB1      ARG  80 -13.218  -3.706  -3.706
  600   1HG   ARG  80           HG2      ARG  80 -11.002  -3.323  -3.323
  601   2HG   ARG  80           HG1      ARG  80 -10.513  -4.979  -4.979
  602   1HD   ARG  80           HD2      ARG  80 -10.475  -4.982  -4.982
  603   2HD   ARG  80           HD1      ARG  80 -12.118  -5.571  -5.571
  604    HE   ARG  80           HE       ARG  80 -11.917  -2.652  -2.652
  605   1HH1  ARG  80          HH11      ARG  80 -14.449  -3.761  -3.761
  606   2HH1  ARG  80          HH12      ARG  80 -14.408  -3.826  -3.826
  607   1HH2  ARG  80          HH21      ARG  80 -10.958  -3.517  -3.517
  608   2HH2  ARG  80          HH22      ARG  80 -12.430  -3.687  -3.687
  609    H    GLY  81           HN       GLY  81 -10.797  -5.584  -5.584
  610   1HA   GLY  81           HA2      GLY  81 -10.557  -8.365  -8.365
  611   2HA   GLY  81           HA1      GLY  81  -9.261  -7.609  -7.609
  612    H    TYR  82           HN       TYR  82  -9.974  -8.910  -8.910
  613    HA   TYR  82           HA       TYR  82  -8.074  -7.135  -7.135
  614   1HB   TYR  82           HB2      TYR  82 -10.013  -9.278  -9.278
  615   2HB   TYR  82           HB1      TYR  82  -9.092  -8.201  -8.201
  616    HD1  TYR  82           HD2      TYR  82 -11.725  -8.305  -8.305
  617    HD2  TYR  82           HD1      TYR  82  -9.808  -5.967  -5.967
  618    HE1  TYR  82           HE2      TYR  82 -13.499  -6.584  -6.584
  619    HE2  TYR  82           HE1      TYR  82 -11.580  -4.246  -4.246
  620    HH   TYR  82           HH       TYR  82 -13.252  -3.565  -3.565
  621    HA   PRO  83           HA       PRO  83  -7.014  -7.310  -7.310
  622   1HB   PRO  83           HB2      PRO  83  -4.371  -7.172  -7.172
  623   2HB   PRO  83           HB1      PRO  83  -5.519  -8.231  -8.231
  624   1HG   PRO  83           HG2      PRO  83  -3.420  -8.893  -8.893
  625   2HG   PRO  83           HG1      PRO  83  -4.110  -9.880  -9.880
  626   1HD   PRO  83           HD1      PRO  83  -4.716 -10.031 -10.031
  627   2HD   PRO  83           HD2      PRO  83  -5.582 -10.832 -10.832
  628    H    THR  84           HN       THR  84  -6.588  -5.157  -5.157
  629    HA   THR  84           HA       THR  84  -5.053  -4.786  -4.786
  630    HB   THR  84           HB       THR  84  -6.882  -2.741  -2.741
  631    HG1  THR  84           HG1      THR  84  -8.496  -4.050  -4.050
  632   1HG2  THR  84          HG23      THR  84  -5.914  -3.563  -3.563
  633   2HG2  THR  84          HG22      THR  84  -7.492  -2.786  -2.786
  634   3HG2  THR  84          HG21      THR  84  -6.051  -1.949  -1.949
  635    H    ILE  85           HN       ILE  85  -3.033  -3.916  -3.916
  636    HA   ILE  85           HA       ILE  85  -2.629  -2.072  -2.072
  637    HB   ILE  85           HB       ILE  85  -0.679  -3.986  -3.986
  638   1HG1  ILE  85          HG12      ILE  85  -1.067  -4.918  -4.918
  639   2HG1  ILE  85          HG11      ILE  85  -2.674  -4.291  -4.291
  640   1HG2  ILE  85          HG21      ILE  85  -0.188  -1.747  -1.747
  641   2HG2  ILE  85          HG23      ILE  85  -0.159  -3.070  -3.070
  642   3HG2  ILE  85          HG22      ILE  85   0.919  -3.101  -3.101
  643   1HD1  ILE  85          HD12      ILE  85  -1.329  -5.914  -5.914
  644   2HD1  ILE  85          HD11      ILE  85  -1.945  -6.771  -6.771
  645   3HD1  ILE  85          HD13      ILE  85  -3.040  -5.812  -5.812
  646    H    LYS  86           HN       LYS  86  -1.971  -0.044  -0.044
  647    HA   LYS  86           HA       LYS  86  -0.627   0.317   0.317
  648   1HB   LYS  86           HB2      LYS  86  -2.691   2.122   2.122
  649   2HB   LYS  86           HB1      LYS  86  -1.984   2.331   2.331
  650   1HG   LYS  86           HG1      LYS  86  -2.897  -0.088  -0.088
  651   2HG   LYS  86           HG2      LYS  86  -3.952   0.259   0.259
  652   1HD   LYS  86           HD2      LYS  86  -5.062   0.882   0.882
  653   2HD   LYS  86           HD1      LYS  86  -4.726   2.323   2.323
  654   1HE   LYS  86           HE2      LYS  86  -3.177   3.116   3.116
  655   2HE   LYS  86           HE1      LYS  86  -2.590   1.491   1.491
  656   1HZ   LYS  86           HZ3      LYS  86  -4.767   1.098   1.098
  657   2HZ   LYS  86           HZ2      LYS  86  -5.159   2.733   2.733
  658   3HZ   LYS  86           HZ1      LYS  86  -3.854   2.314   2.314
  659    H    PHE  87           HN       PHE  87   0.594   2.458   2.458
  660    HA   PHE  87           HA       PHE  87   1.744   3.041   3.041
  661   1HB   PHE  87           HB1      PHE  87   3.271   1.911   1.911
  662   2HB   PHE  87           HB2      PHE  87   2.950   3.118   3.118
  663    HD1  PHE  87           HD1      PHE  87   3.490   3.568   3.568
  664    HD2  PHE  87           HD2      PHE  87   4.985   4.274   4.274
  665    HE1  PHE  87           HE1      PHE  87   5.274   5.019   5.019
  666    HE2  PHE  87           HE2      PHE  87   6.769   5.724   5.724
  667    HZ   PHE  87           HZ       PHE  87   6.913   6.095   6.095
  668    H    PHE  88           HN       PHE  88   1.498   5.113   5.113
  669    HA   PHE  88           HA       PHE  88   0.640   7.194   7.194
  670   1HB   PHE  88           HB2      PHE  88   0.126   6.638   6.638
  671   2HB   PHE  88           HB1      PHE  88  -0.138   8.252   8.252
  672    HD1  PHE  88           HD2      PHE  88  -1.682   8.519   8.519
  673    HD2  PHE  88           HD1      PHE  88  -1.435   4.893   4.893
  674    HE1  PHE  88           HE2      PHE  88  -3.859   7.785   7.785
  675    HE2  PHE  88           HE1      PHE  88  -3.613   4.159   4.159
  676    HZ   PHE  88           HZ       PHE  88  -4.820   5.595   5.595
  677    H    ARG  89           HN       ARG  89   1.499   9.423   9.423
  678    HA   ARG  89           HA       ARG  89   4.039   9.462   9.462
  679   1HB   ARG  89           HB1      ARG  89   4.433   8.837   8.837
  680   2HB   ARG  89           HB2      ARG  89   3.760  10.401  10.401
  681   1HG   ARG  89           HG2      ARG  89   5.854  10.529  10.529
  682   2HG   ARG  89           HG1      ARG  89   6.414   9.960   9.960
  683   1HD   ARG  89           HD2      ARG  89   4.741  12.122  12.122
  684   2HD   ARG  89           HD1      ARG  89   5.667  12.659  12.659
  685    HE   ARG  89           HE       ARG  89   7.624  11.497  11.497
  686   1HH1  ARG  89          HH11      ARG  89   5.097  12.461  12.461
  687   2HH1  ARG  89          HH12      ARG  89   5.932  13.720  13.720
  688   1HH2  ARG  89          HH21      ARG  89   8.708  13.640  13.640
  689   2HH2  ARG  89          HH22      ARG  89   7.976  14.387  14.387
  690    H    ASN  90           HN       ASN  90   3.402  11.038  11.038
  691    HA   ASN  90           HA       ASN  90   2.708  13.149  13.149
  692   1HB   ASN  90           HB2      ASN  90   4.800  13.670  13.670
  693   2HB   ASN  90           HB1      ASN  90   3.945  13.811  13.811
  694   1HD2  ASN  90          HD22      ASN  90   3.092  16.716  16.716
  695   2HD2  ASN  90          HD21      ASN  90   3.270  15.106  15.106
  696    H    GLY  91           HN       GLY  91   0.399  12.143  12.143
  697   1HA   GLY  91           HA2      GLY  91  -1.750  12.518  12.518
  698   2HA   GLY  91           HA1      GLY  91  -1.277  14.214  14.214
  699    H    ASP  92           HN       ASP  92  -1.549  11.308  11.308
  700    HA   ASP  92           HA       ASP  92  -0.577  12.698  12.698
  701   1HB   ASP  92           HB2      ASP  92  -0.506  10.099  10.099
  702   2HB   ASP  92           HB1      ASP  92  -1.760  10.026  10.026
  703    H    THR  93           HN       THR  93  -3.444  10.672  10.672
  704    HA   THR  93           HA       THR  93  -5.631  10.773  10.773
  705    HB   THR  93           HB       THR  93  -6.144  13.516  13.516
  706    HG1  THR  93           HG1      THR  93  -4.984  14.240  14.240
  707   1HG2  THR  93          HG23      THR  93  -7.215  11.396  11.396
  708   2HG2  THR  93          HG22      THR  93  -6.154  11.760  11.760
  709   3HG2  THR  93          HG21      THR  93  -7.355  12.941  12.941
  710    H    ALA  94           HN       ALA  94  -3.413  11.092  11.092
  711    HA   ALA  94           HA       ALA  94  -5.073  12.130  12.130
  712   1HB   ALA  94           HB1      ALA  94  -3.052  13.675  13.675
  713   2HB   ALA  94           HB3      ALA  94  -2.563  13.403  13.403
  714   3HB   ALA  94           HB2      ALA  94  -4.111  14.172  14.172
  715    H    SER  95           HN       SER  95  -1.863  10.957  10.957
  716    HA   SER  95           HA       SER  95  -1.880   9.143   9.143
  717   1HB   SER  95           HB2      SER  95  -0.622  11.168  11.168
  718   2HB   SER  95           HB1      SER  95   0.343  11.007  11.007
  719    HG   SER  95           HG       SER  95   0.503   9.650   9.650
  720    HA   PRO  96           HA       PRO  96  -0.448   7.233   7.233
  721   1HB   PRO  96           HB1      PRO  96  -2.374   5.293   5.293
  722   2HB   PRO  96           HB2      PRO  96  -2.565   6.901   6.901
  723   1HG   PRO  96           HG2      PRO  96  -3.641   5.825   5.825
  724   2HG   PRO  96           HG1      PRO  96  -4.414   6.888   6.888
  725   1HD   PRO  96           HD2      PRO  96  -3.343   7.786   7.786
  726   2HD   PRO  96           HD1      PRO  96  -3.450   8.776   8.776
  727    H    LYS  97           HN       LYS  97   0.419   4.961   4.961
  728    HA   LYS  97           HA       LYS  97   0.863   3.798   3.798
  729   1HB   LYS  97           HB1      LYS  97   2.497   3.824   3.824
  730   2HB   LYS  97           HB2      LYS  97   2.972   2.984   2.984
  731   1HG   LYS  97           HG2      LYS  97   2.261   5.905   5.905
  732   2HG   LYS  97           HG1      LYS  97   3.875   5.402   5.402
  733   1HD   LYS  97           HD2      LYS  97   4.266   4.274   4.274
  734   2HD   LYS  97           HD1      LYS  97   2.583   4.476   4.476
  735   1HE   LYS  97           HE2      LYS  97   2.866   6.910   6.910
  736   2HE   LYS  97           HE1      LYS  97   4.538   6.758   6.758
  737   1HZ   LYS  97           HZ3      LYS  97   3.473   5.387   5.387
  738   2HZ   LYS  97           HZ2      LYS  97   4.341   6.847   6.847
  739   3HZ   LYS  97           HZ1      LYS  97   5.087   5.430   5.430
  740    H    GLU  98           HN       GLU  98   1.334   1.365   1.365
  741    HA   GLU  98           HA       GLU  98  -0.558   0.079   0.079
  742   1HB   GLU  98           HB2      GLU  98  -1.247   0.013   0.013
  743   2HB   GLU  98           HB1      GLU  98   0.310  -0.683  -0.683
  744   1HG   GLU  98           HG2      GLU  98  -1.375  -2.454  -2.454
  745   2HG   GLU  98           HG1      GLU  98  -0.171  -2.645  -2.645
  746    H    TYR  99           HN       TYR  99   0.097  -2.078  -2.078
  747    HA   TYR  99           HA       TYR  99   3.051  -2.292  -2.292
  748   1HB   TYR  99           HB1      TYR  99   1.641  -2.260  -2.260
  749   2HB   TYR  99           HB2      TYR  99   0.699  -3.617  -3.617
  750    HD1  TYR  99           HD2      TYR  99   4.393  -3.020  -3.020
  751    HD2  TYR  99           HD1      TYR  99   1.158  -5.439  -5.439
  752    HE1  TYR  99           HE2      TYR  99   6.024  -4.601  -4.601
  753    HE2  TYR  99           HE1      TYR  99   2.789  -7.021  -7.021
  754    HH   TYR  99           HH       TYR  99   6.236  -6.313  -6.313
  755    H    THR 100           HN       THR 100   4.181  -3.905  -3.905
  756    HA   THR 100           HA       THR 100   2.625  -5.979  -5.979
  757    HB   THR 100           HB       THR 100   4.634  -6.067  -6.067
  758    HG1  THR 100           HG1      THR 100   6.404  -4.798  -4.798
  759   1HG2  THR 100          HG22      THR 100   2.894  -3.947  -3.947
  760   2HG2  THR 100          HG21      THR 100   4.462  -3.145  -3.145
  761   3HG2  THR 100          HG23      THR 100   4.079  -4.170  -4.170
  762    H    ALA 101           HN       ALA 101   5.052  -7.618  -7.618
  763    HA   ALA 101           HA       ALA 101   6.045  -9.474  -9.474
  764   1HB   ALA 101           HB2      ALA 101   7.163  -7.416  -7.416
  765   2HB   ALA 101           HB1      ALA 101   6.052  -7.575  -7.575
  766   3HB   ALA 101           HB3      ALA 101   7.211  -8.858  -8.858
  767    H    GLY 102           HN       GLY 102   5.785  -9.971  -9.971
  768   1HA   GLY 102           HA2      GLY 102   3.640 -10.190 -10.190
  769   2HA   GLY 102           HA1      GLY 102   2.955 -10.930 -10.930
  770    H    ARG 103           HN       ARG 103   5.344 -11.345 -11.345
  771    HA   ARG 103           HA       ARG 103   5.141 -14.283 -14.283
  772   1HB   ARG 103           HB1      ARG 103   7.026 -13.182 -13.182
  773   2HB   ARG 103           HB2      ARG 103   7.843 -12.950 -12.950
  774   1HG   ARG 103           HG2      ARG 103   7.440 -15.450 -15.450
  775   2HG   ARG 103           HG1      ARG 103   7.014 -15.553 -15.553
  776   1HD   ARG 103           HD2      ARG 103   9.285 -14.370 -14.370
  777   2HD   ARG 103           HD1      ARG 103   9.683 -14.844 -14.844
  778    HE   ARG 103           HE       ARG 103   8.674 -17.172 -17.172
  779   1HH1  ARG 103          HH21      ARG 103  11.571 -15.517 -15.517
  780   2HH1  ARG 103          HH22      ARG 103  12.281 -16.403 -16.403
  781   1HH2  ARG 103          HH11      ARG 103   9.353 -18.066 -18.066
  782   2HH2  ARG 103          HH12      ARG 103  11.028 -17.845 -17.845
  783    H    GLU 104           HN       GLU 104   6.582 -11.576 -11.576
  784    HA   GLU 104           HA       GLU 104   5.682 -12.571 -12.571
  785   1HB   GLU 104           HB2      GLU 104   7.939 -13.238 -13.238
  786   2HB   GLU 104           HB1      GLU 104   7.386 -14.266 -14.266
  787   1HG   GLU 104           HG1      GLU 104   8.656 -12.566 -12.566
  788   2HG   GLU 104           HG2      GLU 104   9.487 -12.111 -12.111
  789    H    ALA 105           HN       ALA 105   6.980 -11.335 -11.335
  790    HA   ALA 105           HA       ALA 105   6.668  -8.594  -8.594
  791   1HB   ALA 105           HB1      ALA 105   7.547 -10.363 -10.363
  792   2HB   ALA 105           HB3      ALA 105   9.064  -9.544  -9.544
  793   3HB   ALA 105           HB2      ALA 105   7.681  -8.616  -8.616
  794    H    ASP 106           HN       ASP 106   9.465 -10.455 -10.455
  795    HA   ASP 106           HA       ASP 106  11.288  -8.322  -8.322
  796   1HB   ASP 106           HB2      ASP 106  10.768 -10.926 -10.926
  797   2HB   ASP 106           HB1      ASP 106  12.190  -9.921  -9.921
  798    H    ASP 107           HN       ASP 107   8.950  -9.772  -9.772
  799    HA   ASP 107           HA       ASP 107   9.379  -8.105  -8.105
  800   1HB   ASP 107           HB2      ASP 107   7.284  -9.844  -9.844
  801   2HB   ASP 107           HB1      ASP 107   6.646  -8.579  -8.579
  802    H    ILE 108           HN       ILE 108   7.718  -7.403  -7.403
  803    HA   ILE 108           HA       ILE 108   6.322  -5.030  -5.030
  804    HB   ILE 108           HB       ILE 108   7.258  -5.878  -5.878
  805   1HG1  ILE 108          HG12      ILE 108   5.913  -7.618  -7.618
  806   2HG1  ILE 108          HG11      ILE 108   5.053  -6.935  -6.935
  807   1HG2  ILE 108          HG21      ILE 108   6.031  -3.506  -3.506
  808   2HG2  ILE 108          HG23      ILE 108   4.729  -4.467  -4.467
  809   3HG2  ILE 108          HG22      ILE 108   6.158  -4.082  -4.082
  810   1HD1  ILE 108          HD12      ILE 108   4.488  -5.323  -5.323
  811   2HD1  ILE 108          HD11      ILE 108   4.213  -7.013  -7.013
  812   3HD1  ILE 108          HD13      ILE 108   3.370  -6.301  -6.301
  813    H    VAL 109           HN       VAL 109   9.278  -5.483  -5.483
  814    HA   VAL 109           HA       VAL 109  10.020  -2.692  -2.692
  815    HB   VAL 109           HB       VAL 109  11.598  -5.251  -5.251
  816   1HG1  VAL 109          HG23      VAL 109  12.782  -2.928  -2.928
  817   2HG1  VAL 109          HG22      VAL 109  12.286  -2.596  -2.596
  818   3HG1  VAL 109          HG21      VAL 109  13.336  -3.970  -3.970
  819   1HG2  VAL 109          HG12      VAL 109   9.793  -3.569  -3.569
  820   2HG2  VAL 109          HG11      VAL 109  10.012  -5.319  -5.319
  821   3HG2  VAL 109          HG13      VAL 109  11.211  -4.284  -4.284
  822    H    ASN 110           HN       ASN 110  10.821  -5.488  -5.488
  823    HA   ASN 110           HA       ASN 110  12.953  -4.451  -4.451
  824   1HB   ASN 110           HB2      ASN 110  11.650  -6.753  -6.753
  825   2HB   ASN 110           HB1      ASN 110  10.747  -6.068  -6.068
  826   1HD2  ASN 110          HD22      ASN 110  14.330  -7.665  -7.665
  827   2HD2  ASN 110          HD21      ASN 110  13.422  -7.949  -7.949
  828    H    TRP 111           HN       TRP 111   9.503  -4.457  -4.457
  829    HA   TRP 111           HA       TRP 111   9.749  -2.739  -2.739
  830   1HB   TRP 111           HB1      TRP 111   7.783  -4.162  -4.162
  831   2HB   TRP 111           HB2      TRP 111   7.418  -2.850  -2.850
  832    HD1  TRP 111           HD1      TRP 111   7.526  -3.671  -3.671
  833    HE1  TRP 111           HE1      TRP 111   6.167  -1.892  -1.892
  834    HE3  TRP 111           HE3      TRP 111   6.537  -0.412  -0.412
  835    HZ2  TRP 111           HZ2      TRP 111   4.835   0.585   0.585
  836    HZ3  TRP 111           HZ3      TRP 111   5.222   1.647   1.647
  837    HH2  TRP 111           HH2      TRP 111   4.371   2.150   2.150
  838    H    LEU 112           HN       LEU 112   9.422  -2.018  -2.018
  839    HA   LEU 112           HA       LEU 112   8.958   0.810   0.810
  840   1HB   LEU 112           HB2      LEU 112   9.987  -1.091  -1.091
  841   2HB   LEU 112           HB1      LEU 112  10.009   0.646   0.646
  842    HG   LEU 112           HG       LEU 112   7.516  -0.753  -0.753
  843   1HD1  LEU 112          HD11      LEU 112   8.377  -0.285  -0.285
  844   2HD1  LEU 112          HD13      LEU 112   6.796  -0.874  -0.874
  845   3HD1  LEU 112          HD12      LEU 112   8.233  -1.857  -1.857
  846   1HD2  LEU 112          HD22      LEU 112   8.089   1.879   1.879
  847   2HD2  LEU 112          HD21      LEU 112   6.468   1.242   1.242
  848   3HD2  LEU 112          HD23      LEU 112   7.518   1.607   1.607
  849    H    LYS 113           HN       LYS 113  11.962  -1.091  -1.091
  850    HA   LYS 113           HA       LYS 113  13.629   1.326   1.326
  851   1HB   LYS 113           HB2      LYS 113  13.863  -1.511  -1.511
  852   2HB   LYS 113           HB1      LYS 113  15.283  -0.872  -0.872
  853   1HG   LYS 113           HG2      LYS 113  15.898   0.054   0.054
  854   2HG   LYS 113           HG1      LYS 113  14.526   1.150   1.150
  855   1HD   LYS 113           HD2      LYS 113  13.352  -1.182  -1.182
  856   2HD   LYS 113           HD1      LYS 113  14.872  -1.117  -1.117
  857   1HE   LYS 113           HE2      LYS 113  13.241   1.396   1.396
  858   2HE   LYS 113           HE1      LYS 113  12.753   0.156   0.156
  859   1HZ   LYS 113           HZ1      LYS 113  15.082   0.096   0.096
  860   2HZ   LYS 113           HZ3      LYS 113  15.439   1.401   1.401
  861   3HZ   LYS 113           HZ2      LYS 113  14.345   1.604   1.604
  862    H    LYS 114           HN       LYS 114  12.227  -0.947  -0.947
  863    HA   LYS 114           HA       LYS 114  14.180  -1.289  -1.289
  864   1HB   LYS 114           HB2      LYS 114  11.972  -2.383  -2.383
  865   2HB   LYS 114           HB1      LYS 114  11.186  -0.837  -0.837
  866   1HG   LYS 114           HG2      LYS 114  12.522  -0.719  -0.719
  867   2HG   LYS 114           HG1      LYS 114  13.009  -2.388  -2.388
  868   1HD   LYS 114           HD2      LYS 114  10.277  -2.497  -2.497
  869   2HD   LYS 114           HD1      LYS 114  10.435  -1.336  -1.336
  870   1HE   LYS 114           HE2      LYS 114  12.243  -3.562  -3.562
  871   2HE   LYS 114           HE1      LYS 114  10.577  -4.140  -4.140
  872   1HZ   LYS 114           HZ3      LYS 114  11.319  -1.835  -1.835
  873   2HZ   LYS 114           HZ2      LYS 114  11.129  -3.418  -3.418
  874   3HZ   LYS 114           HZ1      LYS 114   9.808  -2.601  -2.601
  875    H    ARG 115           HN       ARG 115  12.314   1.561   1.561
  876    HA   ARG 115           HA       ARG 115  13.056   2.972   2.972
  877   1HB   ARG 115           HB2      ARG 115  10.811   3.169   3.169
  878   2HB   ARG 115           HB1      ARG 115  11.559   3.848   3.848
  879   1HG   ARG 115           HG2      ARG 115  12.299   5.791   5.791
  880   2HG   ARG 115           HG1      ARG 115  11.936   5.065   5.065
  881   1HD   ARG 115           HD2      ARG 115   9.614   5.335   5.335
  882   2HD   ARG 115           HD1      ARG 115   9.742   5.471   5.471
  883    HE   ARG 115           HE       ARG 115  10.973   7.554   7.554
  884   1HH1  ARG 115          HH21      ARG 115  11.419   8.540   8.540
  885   2HH1  ARG 115          HH22      ARG 115   9.948   9.259   9.259
  886   1HH2  ARG 115          HH11      ARG 115   7.952   7.617   7.617
  887   2HH2  ARG 115          HH12      ARG 115   7.983   8.736   8.736
  888    H    THR 116           HN       THR 116  13.970   2.847   2.847
  889    HA   THR 116           HA       THR 116  16.374   4.469   4.469
  890    HB   THR 116           HB       THR 116  14.661   6.130   6.130
  891    HG1  THR 116           HG1      THR 116  15.946   7.134   7.134
  892   1HG2  THR 116          HG21      THR 116  13.209   4.457   4.457
  893   2HG2  THR 116          HG23      THR 116  14.265   4.694   4.694
  894   3HG2  THR 116          HG22      THR 116  13.332   6.047   6.047
  895    H    GLY 117           HN       GLY 117  16.744   1.941   1.941
  896   1HA   GLY 117           HA1      GLY 117  17.569   1.874   1.874
  897   2HA   GLY 117           HA2      GLY 117  16.645   0.520   0.520
  898    HA   PRO 118           HA       PRO 118  21.150  -0.270  -0.270
  899   1HB   PRO 118           HB1      PRO 118  21.172  -2.795  -2.795
  900   2HB   PRO 118           HB2      PRO 118  21.446  -1.337  -1.337
  901   1HG   PRO 118           HG2      PRO 118  18.991  -2.999  -2.999
  902   2HG   PRO 118           HG1      PRO 118  19.645  -2.197  -2.197
  903   1HD   PRO 118           HD2      PRO 118  17.554  -1.221  -1.221
  904   2HD   PRO 118           HD1      PRO 118  18.645  -0.204  -0.204
  905    H    ALA 119           HN       ALA 119  18.160  -1.938  -1.938
  906    HA   ALA 119           HA       ALA 119  17.502  -3.324  -3.324
  907   1HB   ALA 119           HB3      ALA 119  19.378  -1.284  -1.284
  908   2HB   ALA 119           HB2      ALA 119  19.467  -2.714  -2.714
  909   3HB   ALA 119           HB1      ALA 119  17.928  -1.882  -1.882
  910    H    ALA 120           HN       ALA 120  19.225  -4.572  -4.572
  911    HA   ALA 120           HA       ALA 120  21.239  -6.107  -6.107
  912   1HB   ALA 120           HB1      ALA 120  20.419  -5.688  -5.688
  913   2HB   ALA 120           HB3      ALA 120  21.297  -7.165  -7.165
  914   3HB   ALA 120           HB2      ALA 120  22.024  -5.594  -5.594

  Start of MODEL   22
    1   1H    ASP   1           HT3      ASP   1 -13.664   6.837   6.837
    2   2H    ASP   1           HT2      ASP   1 -13.734   8.523   8.523
    3   3H    ASP   1           HT1      ASP   1 -14.928   7.530   7.530
    4    HA   ASP   1           HA       ASP   1 -13.448   6.661   6.661
    5   1HB   ASP   1           HB1      ASP   1 -12.460   9.439   9.439
    6   2HB   ASP   1           HB2      ASP   1 -14.198   9.297   9.297
    7    H    ALA   2           HN       ALA   2 -11.329   6.081   6.081
    8    HA   ALA   2           HA       ALA   2  -8.967   7.256   7.256
    9   1HB   ALA   2           HB3      ALA   2 -10.429   5.129   5.129
   10   2HB   ALA   2           HB2      ALA   2  -8.766   4.652   4.652
   11   3HB   ALA   2           HB1      ALA   2  -9.090   6.110   6.110
   12    HA   PRO   3           HA       PRO   3  -7.444   5.162   5.162
   13   1HB   PRO   3           HB2      PRO   3  -4.760   5.447   5.447
   14   2HB   PRO   3           HB1      PRO   3  -5.797   6.779   6.779
   15   1HG   PRO   3           HG2      PRO   3  -4.754   6.171   6.171
   16   2HG   PRO   3           HG1      PRO   3  -4.971   7.734   7.734
   17   1HD   PRO   3           HD1      PRO   3  -6.688   6.736   6.736
   18   2HD   PRO   3           HD2      PRO   3  -7.162   7.893   7.893
   19    H    GLU   4           HN       GLU   4  -5.928   3.280   3.280
   20    HA   GLU   4           HA       GLU   4  -5.383   1.505   1.505
   21   1HB   GLU   4           HB1      GLU   4  -7.704   1.282   1.282
   22   2HB   GLU   4           HB2      GLU   4  -6.718   0.392   0.392
   23   1HG   GLU   4           HG2      GLU   4  -7.521  -0.341  -0.341
   24   2HG   GLU   4           HG1      GLU   4  -7.151  -1.377  -1.377
   25    H    GLU   5           HN       GLU   5  -3.686   0.011   0.011
   26    HA   GLU   5           HA       GLU   5  -2.426   0.091   0.091
   27   1HB   GLU   5           HB2      GLU   5  -1.251   0.772   0.772
   28   2HB   GLU   5           HB1      GLU   5  -0.223   0.276   0.276
   29   1HG   GLU   5           HG2      GLU   5  -1.138   2.102   2.102
   30   2HG   GLU   5           HG1      GLU   5  -2.185   2.591   2.591
   31    H    GLU   6           HN       GLU   6  -1.409  -1.871  -1.871
   32    HA   GLU   6           HA       GLU   6  -1.786  -4.108  -4.108
   33   1HB   GLU   6           HB1      GLU   6  -2.181  -3.698  -3.698
   34   2HB   GLU   6           HB2      GLU   6  -1.388  -5.221  -5.221
   35   1HG   GLU   6           HG2      GLU   6  -3.709  -4.496  -4.496
   36   2HG   GLU   6           HG1      GLU   6  -4.085  -4.891  -4.891
   37    H    ASP   7           HN       ASP   7   0.081  -4.840  -4.840
   38    HA   ASP   7           HA       ASP   7   2.368  -5.324  -5.324
   39   1HB   ASP   7           HB1      ASP   7   1.688  -5.879  -5.879
   40   2HB   ASP   7           HB2      ASP   7   3.361  -6.059  -6.059
   41    H    HIS   8           HN       HIS   8   3.023  -4.128  -4.128
   42    HA   HIS   8           HA       HIS   8   4.237  -1.662  -1.662
   43   1HB   HIS   8           HB2      HIS   8   5.401  -3.661  -3.661
   44   2HB   HIS   8           HB1      HIS   8   6.152  -2.110  -2.110
   45    HD1  HIS   8           HD1      HIS   8   5.243  -5.420  -5.420
   46    HD2  HIS   8           HD2      HIS   8   7.482  -2.018  -2.018
   47    HE1  HIS   8           HE1      HIS   8   6.552  -5.955  -5.955
   48    H    VAL   9           HN       VAL   9   1.759  -2.412  -2.412
   49    HA   VAL   9           HA       VAL   9   2.319  -0.438  -0.438
   50    HB   VAL   9           HB       VAL   9   0.353  -2.748  -2.748
   51   1HG1  VAL   9          HG13      VAL   9   1.457  -0.719  -0.719
   52   2HG1  VAL   9          HG12      VAL   9   1.060  -2.314  -2.314
   53   3HG1  VAL   9          HG11      VAL   9  -0.188  -1.336  -1.336
   54   1HG2  VAL   9          HG21      VAL   9   3.304  -2.725  -2.725
   55   2HG2  VAL   9          HG23      VAL   9   2.240  -4.056  -4.056
   56   3HG2  VAL   9          HG22      VAL   9   2.368  -3.567  -3.567
   57    H    LEU  10           HN       LEU  10   0.175   0.657   0.657
   58    HA   LEU  10           HA       LEU  10  -1.642   0.954   0.954
   59   1HB   LEU  10           HB1      LEU  10  -1.762   3.364   3.364
   60   2HB   LEU  10           HB2      LEU  10  -0.236   2.877   2.877
   61    HG   LEU  10           HG       LEU  10  -0.422   2.397   2.397
   62   1HD1  LEU  10          HD23      LEU  10  -1.581   4.752   4.752
   63   2HD1  LEU  10          HD22      LEU  10   0.099   5.240   5.240
   64   3HD1  LEU  10          HD21      LEU  10  -0.797   4.511   4.511
   65   1HD2  LEU  10          HD13      LEU  10   1.641   2.187   2.187
   66   2HD2  LEU  10          HD12      LEU  10   1.831   3.326   3.326
   67   3HD2  LEU  10          HD11      LEU  10   1.570   3.922   3.922
   68    H    VAL  11           HN       VAL  11  -3.687   2.189   2.189
   69    HA   VAL  11           HA       VAL  11  -4.640   1.027   1.027
   70    HB   VAL  11           HB       VAL  11  -6.186   1.602   1.602
   71   1HG1  VAL  11          HG13      VAL  11  -7.524   1.626   1.626
   72   2HG1  VAL  11          HG12      VAL  11  -6.913   0.020   0.020
   73   3HG1  VAL  11          HG11      VAL  11  -7.937   0.248   0.248
   74   1HG2  VAL  11          HG22      VAL  11  -4.721  -0.819  -0.819
   75   2HG2  VAL  11          HG21      VAL  11  -4.873  -0.199  -0.199
   76   3HG2  VAL  11          HG23      VAL  11  -6.225  -1.047  -1.047
   77    H    LEU  12           HN       LEU  12  -6.196   2.390   2.390
   78    HA   LEU  12           HA       LEU  12  -5.927   5.291   5.291
   79   1HB   LEU  12           HB2      LEU  12  -6.292   3.786   3.786
   80   2HB   LEU  12           HB1      LEU  12  -6.408   5.541   5.541
   81    HG   LEU  12           HG       LEU  12  -4.005   3.870   3.870
   82   1HD1  LEU  12          HD21      LEU  12  -4.815   5.280   5.280
   83   2HD1  LEU  12          HD23      LEU  12  -3.163   5.584   5.584
   84   3HD1  LEU  12          HD22      LEU  12  -3.696   3.934   3.934
   85   1HD2  LEU  12          HD11      LEU  12  -4.725   6.766   6.766
   86   2HD2  LEU  12          HD13      LEU  12  -3.859   5.717   5.717
   87   3HD2  LEU  12          HD12      LEU  12  -3.045   6.337   6.337
   88    H    ARG  13           HN       ARG  13  -7.799   6.497   6.497
   89    HA   ARG  13           HA       ARG  13 -10.392   5.035   5.035
   90   1HB   ARG  13           HB2      ARG  13  -9.226   6.852   6.852
   91   2HB   ARG  13           HB1      ARG  13 -10.956   7.003   7.003
   92   1HG   ARG  13           HG2      ARG  13 -10.439   4.233   4.233
   93   2HG   ARG  13           HG1      ARG  13  -9.532   4.932   4.932
   94   1HD   ARG  13           HD1      ARG  13 -11.645   6.173   6.173
   95   2HD   ARG  13           HD2      ARG  13 -12.506   5.201   5.201
   96    HE   ARG  13           HE       ARG  13 -11.012   3.363   3.363
   97   1HH1  ARG  13          HH11      ARG  13 -11.842   5.657   5.657
   98   2HH1  ARG  13          HH12      ARG  13 -13.206   4.893   4.893
   99   1HH2  ARG  13          HH21      ARG  13 -13.458   2.403   2.403
  100   2HH2  ARG  13          HH22      ARG  13 -14.121   3.051   3.051
  101    H    LYS  14           HN       LYS  14 -12.108   7.202   7.202
  102    HA   LYS  14           HA       LYS  14 -12.279   8.225   8.225
  103   1HB   LYS  14           HB1      LYS  14 -13.955   9.701   9.701
  104   2HB   LYS  14           HB2      LYS  14 -14.042   8.113   8.113
  105   1HG   LYS  14           HG2      LYS  14 -12.531   9.019   9.019
  106   2HG   LYS  14           HG1      LYS  14 -12.840  10.620  10.620
  107   1HD   LYS  14           HD2      LYS  14 -14.652  10.620  10.620
  108   2HD   LYS  14           HD1      LYS  14 -15.377   9.567   9.567
  109   1HE   LYS  14           HE2      LYS  14 -13.622   8.188   8.188
  110   2HE   LYS  14           HE1      LYS  14 -15.124   8.857   8.857
  111   1HZ   LYS  14           HZ2      LYS  14 -14.932   7.185   7.185
  112   2HZ   LYS  14           HZ1      LYS  14 -15.470   6.636   6.636
  113   3HZ   LYS  14           HZ3      LYS  14 -16.360   7.809   7.809
  114    H    SER  15           HN       SER  15 -10.879   9.752   9.752
  115    HA   SER  15           HA       SER  15  -9.890  12.001  12.001
  116   1HB   SER  15           HB2      SER  15 -10.819  11.610  11.610
  117   2HB   SER  15           HB1      SER  15  -9.369  12.609  12.609
  118    HG   SER  15           HG       SER  15 -10.897  14.054  14.054
  119    H    ASN  16           HN       ASN  16  -8.757   9.450   9.450
  120    HA   ASN  16           HA       ASN  16  -6.064  10.298  10.298
  121   1HB   ASN  16           HB1      ASN  16  -7.718   8.035   8.035
  122   2HB   ASN  16           HB2      ASN  16  -6.253   7.442   7.442
  123   1HD2  ASN  16          HD22      ASN  16  -5.493   7.612   7.612
  124   2HD2  ASN  16          HD21      ASN  16  -6.518   6.703   6.703
  125    H    PHE  17           HN       PHE  17  -7.682   8.777   8.777
  126    HA   PHE  17           HA       PHE  17  -5.463   7.743   7.743
  127   1HB   PHE  17           HB1      PHE  17  -7.905   7.436   7.436
  128   2HB   PHE  17           HB2      PHE  17  -7.968   9.096   9.096
  129    HD1  PHE  17           HD2      PHE  17  -6.622   9.764   9.764
  130    HD2  PHE  17           HD1      PHE  17  -6.992   5.672   5.672
  131    HE1  PHE  17           HE2      PHE  17  -5.830   9.010   9.010
  132    HE2  PHE  17           HE1      PHE  17  -6.200   4.918   4.918
  133    HZ   PHE  17           HZ       PHE  17  -5.617   6.581   6.581
  134    H    ALA  18           HN       ALA  18  -7.105  10.858  10.858
  135    HA   ALA  18           HA       ALA  18  -5.153  11.927  11.927
  136   1HB   ALA  18           HB1      ALA  18  -7.591  12.641  12.641
  137   2HB   ALA  18           HB3      ALA  18  -6.509  13.845  13.845
  138   3HB   ALA  18           HB2      ALA  18  -6.617  13.669  13.669
  139    H    GLU  19           HN       GLU  19  -5.034  11.539  11.539
  140    HA   GLU  19           HA       GLU  19  -3.021  13.630  13.630
  141   1HB   GLU  19           HB2      GLU  19  -4.775  12.907  12.907
  142   2HB   GLU  19           HB1      GLU  19  -3.972  11.341  11.341
  143   1HG   GLU  19           HG2      GLU  19  -2.377  12.159  12.159
  144   2HG   GLU  19           HG1      GLU  19  -2.103  13.560  13.560
  145    H    ALA  20           HN       ALA  20  -2.965  10.096  10.096
  146    HA   ALA  20           HA       ALA  20  -0.194   9.753   9.753
  147   1HB   ALA  20           HB3      ALA  20  -2.424   8.189   8.189
  148   2HB   ALA  20           HB2      ALA  20  -1.676   7.685   7.685
  149   3HB   ALA  20           HB1      ALA  20  -0.782   7.543   7.543
  150    H    LEU  21           HN       LEU  21  -2.159   9.822   9.822
  151    HA   LEU  21           HA       LEU  21  -0.139   9.101   9.101
  152   1HB   LEU  21           HB2      LEU  21  -2.813  10.203  10.203
  153   2HB   LEU  21           HB1      LEU  21  -1.861  11.005  11.005
  154    HG   LEU  21           HG       LEU  21  -1.107   8.548   8.548
  155   1HD1  LEU  21          HD13      LEU  21  -2.636   7.904   7.904
  156   2HD1  LEU  21          HD12      LEU  21  -3.862   7.820   7.820
  157   3HD1  LEU  21          HD11      LEU  21  -2.416   6.817   6.817
  158   1HD2  LEU  21          HD23      LEU  21  -3.218  10.286  10.286
  159   2HD2  LEU  21          HD22      LEU  21  -2.288   9.129   9.129
  160   3HD2  LEU  21          HD21      LEU  21  -3.765   8.616   8.616
  161    H    ALA  22           HN       ALA  22  -1.149  12.319  12.319
  162    HA   ALA  22           HA       ALA  22   1.236  13.528  13.528
  163   1HB   ALA  22           HB3      ALA  22  -1.247  14.317  14.317
  164   2HB   ALA  22           HB2      ALA  22  -0.971  14.968  14.968
  165   3HB   ALA  22           HB1      ALA  22   0.001  15.537  15.537
  166    H    ALA  23           HN       ALA  23   1.182  11.888  11.888
  167    HA   ALA  23           HA       ALA  23   2.224  13.991  13.991
  168   1HB   ALA  23           HB2      ALA  23   1.028  11.235  11.235
  169   2HB   ALA  23           HB1      ALA  23   1.788  12.129  12.129
  170   3HB   ALA  23           HB3      ALA  23   0.353  12.778  12.778
  171    H    HIS  24           HN       HIS  24   2.821  10.513  10.513
  172    HA   HIS  24           HA       HIS  24   5.704  10.977  10.977
  173   1HB   HIS  24           HB1      HIS  24   3.734   8.792   8.792
  174   2HB   HIS  24           HB2      HIS  24   5.331   8.272   8.272
  175    HD1  HIS  24           HD1      HIS  24   7.342   9.581   9.581
  176    HD2  HIS  24           HD2      HIS  24   3.627   8.845   8.845
  177    HE1  HIS  24           HE1      HIS  24   7.694   9.683   9.683
  178    H    LYS  25           HN       LYS  25   4.448  11.768  11.768
  179    HA   LYS  25           HA       LYS  25   4.897  11.579  11.579
  180   1HB   LYS  25           HB1      LYS  25   7.341  10.800  10.800
  181   2HB   LYS  25           HB2      LYS  25   7.358  10.540  10.540
  182   1HG   LYS  25           HG1      LYS  25   6.941  12.855  12.855
  183   2HG   LYS  25           HG2      LYS  25   6.539  13.173  13.173
  184   1HD   LYS  25           HD2      LYS  25   8.701  13.753  13.753
  185   2HD   LYS  25           HD1      LYS  25   9.102  12.048  12.048
  186   1HE   LYS  25           HE2      LYS  25   9.835  12.348  12.348
  187   2HE   LYS  25           HE1      LYS  25   8.669  13.648  13.648
  188   1HZ   LYS  25           HZ2      LYS  25   9.915  15.058  15.058
  189   2HZ   LYS  25           HZ1      LYS  25  11.072  13.828  13.828
  190   3HZ   LYS  25           HZ3      LYS  25  10.871  14.580  14.580
  191    H    TYR  26           HN       TYR  26   6.875   8.718   8.718
  192    HA   TYR  26           HA       TYR  26   5.354   7.132   7.132
  193   1HB   TYR  26           HB1      TYR  26   7.433   6.453   6.453
  194   2HB   TYR  26           HB2      TYR  26   6.903   5.346   5.346
  195    HD1  TYR  26           HD2      TYR  26   6.617   7.248   7.248
  196    HD2  TYR  26           HD1      TYR  26   9.680   6.901   6.901
  197    HE1  TYR  26           HE2      TYR  26   8.256   8.265   8.265
  198    HE2  TYR  26           HE1      TYR  26  11.318   7.918   7.918
  199    HH   TYR  26           HH       TYR  26  11.499   8.079   8.079
  200    H    LEU  27           HN       LEU  27   3.450   6.092   6.092
  201    HA   LEU  27           HA       LEU  27   2.975   4.955   4.955
  202   1HB   LEU  27           HB1      LEU  27   2.010   7.440   7.440
  203   2HB   LEU  27           HB2      LEU  27   0.639   6.345   6.345
  204    HG   LEU  27           HG       LEU  27   0.741   7.430   7.430
  205   1HD1  LEU  27          HD23      LEU  27   0.350   4.721   4.721
  206   2HD1  LEU  27          HD22      LEU  27   1.331   4.720   4.720
  207   3HD1  LEU  27          HD21      LEU  27  -0.216   5.568   5.568
  208   1HD2  LEU  27          HD13      LEU  27   3.331   7.398   7.398
  209   2HD2  LEU  27          HD12      LEU  27   2.534   7.077   7.077
  210   3HD2  LEU  27          HD11      LEU  27   3.179   5.741   5.741
  211    H    LEU  28           HN       LEU  28   2.395   2.831   2.831
  212    HA   LEU  28           HA       LEU  28   1.189   2.145   2.145
  213   1HB   LEU  28           HB2      LEU  28   1.903   0.513   0.513
  214   2HB   LEU  28           HB1      LEU  28   1.271  -0.181  -0.181
  215    HG   LEU  28           HG       LEU  28   3.655  -0.425  -0.425
  216   1HD1  LEU  28          HD13      LEU  28   2.525   0.315   0.315
  217   2HD1  LEU  28          HD12      LEU  28   2.955   1.976   1.976
  218   3HD1  LEU  28          HD11      LEU  28   4.220   0.791   0.791
  219   1HD2  LEU  28          HD23      LEU  28   3.863   1.566   1.566
  220   2HD2  LEU  28          HD22      LEU  28   5.194   1.217   1.217
  221   3HD2  LEU  28          HD21      LEU  28   4.073   2.534   2.534
  222    H    VAL  29           HN       VAL  29  -0.945   1.239   1.239
  223    HA   VAL  29           HA       VAL  29  -2.657   1.275   1.275
  224    HB   VAL  29           HB       VAL  29  -3.372   2.807   2.807
  225   1HG1  VAL  29          HG21      VAL  29  -4.593   2.339   2.339
  226   2HG1  VAL  29          HG23      VAL  29  -4.859   3.901   3.901
  227   3HG1  VAL  29          HG22      VAL  29  -5.369   2.416   2.416
  228   1HG2  VAL  29          HG12      VAL  29  -2.130   3.788   3.788
  229   2HG2  VAL  29          HG11      VAL  29  -1.459   3.936   3.936
  230   3HG2  VAL  29          HG13      VAL  29  -2.900   4.849   4.849
  231    H    GLU  30           HN       GLU  30  -3.489  -0.779  -0.779
  232    HA   GLU  30           HA       GLU  30  -4.232  -1.863  -1.863
  233   1HB   GLU  30           HB2      GLU  30  -2.596  -3.154  -3.154
  234   2HB   GLU  30           HB1      GLU  30  -3.602  -3.121  -3.121
  235   1HG   GLU  30           HG1      GLU  30  -5.365  -4.379  -4.379
  236   2HG   GLU  30           HG2      GLU  30  -4.248  -4.506  -4.506
  237    H    PHE  31           HN       PHE  31  -6.374  -2.056  -2.056
  238    HA   PHE  31           HA       PHE  31  -8.372  -1.602  -1.602
  239   1HB   PHE  31           HB2      PHE  31  -8.450  -1.716  -1.716
  240   2HB   PHE  31           HB1      PHE  31  -9.865  -1.407  -1.407
  241    HD1  PHE  31           HD2      PHE  31  -6.585  -0.097  -0.097
  242    HD2  PHE  31           HD1      PHE  31 -10.165   0.707   0.707
  243    HE1  PHE  31           HE2      PHE  31  -5.956   2.297   2.297
  244    HE2  PHE  31           HE1      PHE  31  -9.536   3.101   3.101
  245    HZ   PHE  31           HZ       PHE  31  -7.449   3.902   3.902
  246    H    TYR  32           HN       TYR  32  -8.752  -3.596  -3.596
  247    HA   TYR  32           HA       TYR  32  -9.688  -5.811  -5.811
  248   1HB   TYR  32           HB2      TYR  32  -8.289  -7.382  -7.382
  249   2HB   TYR  32           HB1      TYR  32  -7.260  -6.005  -6.005
  250    HD1  TYR  32           HD2      TYR  32  -7.104  -4.141  -4.141
  251    HD2  TYR  32           HD1      TYR  32  -8.375  -8.175  -8.175
  252    HE1  TYR  32           HE2      TYR  32  -6.561  -3.864  -3.864
  253    HE2  TYR  32           HE1      TYR  32  -7.827  -7.897  -7.897
  254    HH   TYR  32           HH       TYR  32  -6.955  -4.781  -4.781
  255    H    ALA  33           HN       ALA  33 -10.469  -7.661  -7.661
  256    HA   ALA  33           HA       ALA  33 -12.246  -6.229  -6.229
  257   1HB   ALA  33           HB2      ALA  33 -13.088  -7.250  -7.250
  258   2HB   ALA  33           HB1      ALA  33 -13.122  -8.735  -8.735
  259   3HB   ALA  33           HB3      ALA  33 -14.080  -7.342  -7.342
  260    HA   PRO  34           HA       PRO  34 -10.841  -9.173  -9.173
  261   1HB   PRO  34           HB2      PRO  34 -13.098  -9.633  -9.633
  262   2HB   PRO  34           HB1      PRO  34 -12.159  -8.132  -8.132
  263   1HG   PRO  34           HG2      PRO  34 -14.681  -8.705  -8.705
  264   2HG   PRO  34           HG1      PRO  34 -14.219  -7.263  -7.263
  265   1HD   PRO  34           HD1      PRO  34 -14.107  -7.380  -7.380
  266   2HD   PRO  34           HD2      PRO  34 -13.012  -6.375  -6.375
  267    H    TRP  35           HN       TRP  35 -13.204 -10.002 -10.002
  268    HA   TRP  35           HA       TRP  35 -12.960 -12.901 -12.901
  269   1HB   TRP  35           HB2      TRP  35 -15.225 -13.102 -13.102
  270   2HB   TRP  35           HB1      TRP  35 -15.216 -12.028 -12.028
  271    HD1  TRP  35           HD1      TRP  35 -15.693  -9.494  -9.494
  272    HE1  TRP  35           HE1      TRP  35 -16.474  -8.127  -8.127
  273    HE3  TRP  35           HE3      TRP  35 -15.050 -12.968 -12.968
  274    HZ2  TRP  35           HZ2      TRP  35 -16.786  -8.461  -8.461
  275    HZ3  TRP  35           HZ3      TRP  35 -15.597 -12.416 -12.416
  276    HH2  TRP  35           HH2      TRP  35 -16.463 -10.170 -10.170
  277    H    CYS  36           HN       CYS  36 -11.873 -10.656 -10.656
  278    HA   CYS  36           HA       CYS  36 -12.365 -11.731 -11.731
  279   1HB   CYS  36           HB2      CYS  36 -10.287 -10.529 -10.529
  280   2HB   CYS  36           HB1      CYS  36 -11.267  -9.572  -9.572
  281    H    GLY  37           HN       GLY  37 -10.881 -13.072 -13.072
  282   1HA   GLY  37           HA2      GLY  37  -9.615 -15.217 -15.217
  283   2HA   GLY  37           HA1      GLY  37 -10.218 -15.436 -15.436
  284    H    HIS  38           HN       HIS  38  -7.648 -16.241 -16.241
  285    HA   HIS  38           HA       HIS  38  -5.416 -15.947 -15.947
  286   1HB   HIS  38           HB2      HIS  38  -6.997 -14.090 -14.090
  287   2HB   HIS  38           HB1      HIS  38  -5.317 -14.527 -14.527
  288    HD1  HIS  38           HD1      HIS  38  -6.158 -17.539 -17.539
  289    HD2  HIS  38           HD2      HIS  38  -7.547 -15.613 -15.613
  290    HE1  HIS  38           HE1      HIS  38  -7.058 -19.350 -19.350
  291    H    CYS  39           HN       CYS  39  -6.668 -14.000 -14.000
  292    HA   CYS  39           HA       CYS  39  -5.043 -11.558 -11.558
  293   1HB   CYS  39           HB2      CYS  39  -7.119 -12.525 -12.525
  294   2HB   CYS  39           HB1      CYS  39  -6.198 -11.053 -11.053
  295    H    LYS  40           HN       LYS  40  -5.256 -14.352 -14.352
  296    HA   LYS  40           HA       LYS  40  -3.222 -13.626 -13.626
  297   1HB   LYS  40           HB2      LYS  40  -3.224 -16.090 -16.090
  298   2HB   LYS  40           HB1      LYS  40  -4.856 -15.428 -15.428
  299   1HG   LYS  40           HG2      LYS  40  -4.418 -16.040 -16.040
  300   2HG   LYS  40           HG1      LYS  40  -3.452 -17.286 -17.286
  301   1HD   LYS  40           HD2      LYS  40  -6.214 -16.757 -16.757
  302   2HD   LYS  40           HD1      LYS  40  -6.030 -17.681 -17.681
  303   1HE   LYS  40           HE2      LYS  40  -4.166 -18.562 -18.562
  304   2HE   LYS  40           HE1      LYS  40  -5.868 -18.748 -18.748
  305   1HZ   LYS  40           HZ3      LYS  40  -4.691 -19.630 -19.630
  306   2HZ   LYS  40           HZ2      LYS  40  -5.102 -20.655 -20.655
  307   3HZ   LYS  40           HZ1      LYS  40  -6.313 -19.802 -19.802
  308    H    ALA  41           HN       ALA  41  -3.053 -14.880 -14.880
  309    HA   ALA  41           HA       ALA  41  -0.496 -16.063 -16.063
  310   1HB   ALA  41           HB3      ALA  41  -2.178 -14.484 -14.484
  311   2HB   ALA  41           HB2      ALA  41  -0.593 -15.085 -15.085
  312   3HB   ALA  41           HB1      ALA  41  -1.848 -16.217 -16.217
  313    H    LEU  42           HN       LEU  42  -1.352 -12.699 -12.699
  314    HA   LEU  42           HA       LEU  42   1.564 -12.012 -12.012
  315   1HB   LEU  42           HB2      LEU  42   0.123 -11.400 -11.400
  316   2HB   LEU  42           HB1      LEU  42  -0.584 -10.167 -10.167
  317    HG   LEU  42           HG       LEU  42   1.845  -9.478  -9.478
  318   1HD1  LEU  42          HD12      LEU  42   2.241 -11.225 -11.225
  319   2HD1  LEU  42          HD11      LEU  42   3.423 -10.040 -10.040
  320   3HD1  LEU  42          HD13      LEU  42   3.004 -11.413 -11.413
  321   1HD2  LEU  42          HD23      LEU  42   0.103  -8.881  -8.881
  322   2HD2  LEU  42          HD22      LEU  42   1.175  -7.797  -7.797
  323   3HD2  LEU  42          HD21      LEU  42   1.788  -8.708  -8.708
  324    H    ALA  43           HN       ALA  43  -0.649 -12.488 -12.488
  325    HA   ALA  43           HA       ALA  43  -1.153  -9.900  -9.900
  326   1HB   ALA  43           HB1      ALA  43  -1.683 -12.767 -12.767
  327   2HB   ALA  43           HB3      ALA  43  -1.536 -11.817 -11.817
  328   3HB   ALA  43           HB2      ALA  43  -2.735 -11.376 -11.376
  329    HA   PRO  44           HA       PRO  44   2.235 -11.242 -11.242
  330   1HB   PRO  44           HB1      PRO  44   3.683 -13.504 -13.504
  331   2HB   PRO  44           HB2      PRO  44   2.179 -13.511 -13.511
  332   1HG   PRO  44           HG2      PRO  44   2.654 -14.253 -14.253
  333   2HG   PRO  44           HG1      PRO  44   1.567 -14.983 -14.983
  334   1HD   PRO  44           HD1      PRO  44   0.750 -13.277 -13.277
  335   2HD   PRO  44           HD2      PRO  44  -0.116 -13.512 -13.512
  336    H    GLU  45           HN       GLU  45   2.544 -11.136 -11.136
  337    HA   GLU  45           HA       GLU  45   5.487 -10.700 -10.700
  338   1HB   GLU  45           HB2      GLU  45   3.479 -10.690 -10.690
  339   2HB   GLU  45           HB1      GLU  45   5.233 -10.776 -10.776
  340   1HG   GLU  45           HG2      GLU  45   5.021 -13.023 -13.023
  341   2HG   GLU  45           HG1      GLU  45   4.592 -12.863 -12.863
  342    H    TYR  46           HN       TYR  46   2.436  -9.025  -9.025
  343    HA   TYR  46           HA       TYR  46   3.661  -6.490  -6.490
  344   1HB   TYR  46           HB2      TYR  46   1.562  -6.626  -6.626
  345   2HB   TYR  46           HB1      TYR  46   1.008  -7.759  -7.759
  346    HD1  TYR  46           HD2      TYR  46   1.755  -4.149  -4.149
  347    HD2  TYR  46           HD1      TYR  46  -0.433  -7.037  -7.037
  348    HE1  TYR  46           HE2      TYR  46   0.501  -2.320  -2.320
  349    HE2  TYR  46           HE1      TYR  46  -1.680  -5.210  -5.210
  350    HH   TYR  46           HH       TYR  46  -1.608  -1.986  -1.986
  351    H    ALA  47           HN       ALA  47   2.846  -8.122  -8.122
  352    HA   ALA  47           HA       ALA  47   2.941  -5.610  -5.610
  353   1HB   ALA  47           HB3      ALA  47   2.146  -8.472  -8.472
  354   2HB   ALA  47           HB2      ALA  47   2.575  -7.522  -7.522
  355   3HB   ALA  47           HB1      ALA  47   1.249  -7.003  -7.003
  356    H    LYS  48           HN       LYS  48   5.085  -8.083  -8.083
  357    HA   LYS  48           HA       LYS  48   6.889  -7.826  -7.826
  358   1HB   LYS  48           HB2      LYS  48   6.351  -9.680  -9.680
  359   2HB   LYS  48           HB1      LYS  48   8.076  -9.319  -9.319
  360   1HG   LYS  48           HG2      LYS  48   7.784 -11.134 -11.134
  361   2HG   LYS  48           HG1      LYS  48   7.832  -9.716  -9.716
  362   1HD   LYS  48           HD2      LYS  48   5.823 -10.323 -10.323
  363   2HD   LYS  48           HD1      LYS  48   5.136  -9.993  -9.993
  364   1HE   LYS  48           HE2      LYS  48   4.743 -12.202 -12.202
  365   2HE   LYS  48           HE1      LYS  48   6.468 -12.552 -12.552
  366   1HZ   LYS  48           HZ3      LYS  48   5.995 -12.162 -12.162
  367   2HZ   LYS  48           HZ2      LYS  48   4.351 -12.321 -12.321
  368   3HZ   LYS  48           HZ1      LYS  48   5.422 -13.612 -13.612
  369    H    ALA  49           HN       ALA  49   6.590  -6.668  -6.668
  370    HA   ALA  49           HA       ALA  49   9.296  -5.856  -5.856
  371   1HB   ALA  49           HB3      ALA  49   6.898  -5.887  -5.887
  372   2HB   ALA  49           HB2      ALA  49   7.155  -4.161  -4.161
  373   3HB   ALA  49           HB1      ALA  49   8.372  -5.119  -5.119
  374    H    ALA  50           HN       ALA  50   6.624  -4.333  -4.333
  375    HA   ALA  50           HA       ALA  50   7.792  -1.703  -1.703
  376   1HB   ALA  50           HB1      ALA  50   5.377  -2.447  -2.447
  377   2HB   ALA  50           HB3      ALA  50   5.854  -3.094  -3.094
  378   3HB   ALA  50           HB2      ALA  50   5.982  -1.363  -1.363
  379    H    GLY  51           HN       GLY  51   8.434  -4.713  -4.713
  380   1HA   GLY  51           HA2      GLY  51   9.648  -3.392  -3.392
  381   2HA   GLY  51           HA1      GLY  51   9.495  -5.131  -5.131
  382    H    LYS  52           HN       LYS  52  10.587  -4.722  -4.722
  383    HA   LYS  52           HA       LYS  52  13.386  -5.169  -5.169
  384   1HB   LYS  52           HB2      LYS  52  11.837  -4.881  -4.881
  385   2HB   LYS  52           HB1      LYS  52  13.534  -5.359  -5.359
  386   1HG   LYS  52           HG2      LYS  52  11.301  -6.815  -6.815
  387   2HG   LYS  52           HG1      LYS  52  11.945  -7.304  -7.304
  388   1HD   LYS  52           HD2      LYS  52  14.228  -6.965  -6.965
  389   2HD   LYS  52           HD1      LYS  52  13.080  -7.671  -7.671
  390   1HE   LYS  52           HE2      LYS  52  12.984  -9.673  -9.673
  391   2HE   LYS  52           HE1      LYS  52  13.187  -8.901  -8.901
  392   1HZ   LYS  52           HZ1      LYS  52  15.303  -9.123  -9.123
  393   2HZ   LYS  52           HZ3      LYS  52  15.198 -10.098 -10.098
  394   3HZ   LYS  52           HZ2      LYS  52  15.481  -8.430  -8.430
  395    H    LEU  53           HN       LEU  53  11.493  -2.466  -2.466
  396    HA   LEU  53           HA       LEU  53  13.960  -0.898  -0.898
  397   1HB   LEU  53           HB1      LEU  53  12.405   0.647   0.647
  398   2HB   LEU  53           HB2      LEU  53  12.026  -0.993  -0.993
  399    HG   LEU  53           HG       LEU  53  10.436  -0.845  -0.845
  400   1HD1  LEU  53          HD13      LEU  53  11.268   1.874   1.874
  401   2HD1  LEU  53          HD12      LEU  53   9.523   1.702   1.702
  402   3HD1  LEU  53          HD11      LEU  53  10.288   1.269   1.269
  403   1HD2  LEU  53          HD22      LEU  53  10.134  -0.498  -0.498
  404   2HD2  LEU  53          HD21      LEU  53   9.103  -1.370  -1.370
  405   3HD2  LEU  53          HD23      LEU  53   8.880   0.363   0.363
  406    H    LYS  54           HN       LYS  54  11.787  -1.418  -1.418
  407    HA   LYS  54           HA       LYS  54  11.625   1.221   1.221
  408   1HB   LYS  54           HB2      LYS  54  10.208  -0.734  -0.734
  409   2HB   LYS  54           HB1      LYS  54  11.613  -1.519  -1.519
  410   1HG   LYS  54           HG2      LYS  54  11.836   0.340   0.340
  411   2HG   LYS  54           HG1      LYS  54  10.436   1.134   1.134
  412   1HD   LYS  54           HD2      LYS  54   8.966  -0.629  -0.629
  413   2HD   LYS  54           HD1      LYS  54  10.320  -1.663  -1.663
  414   1HE   LYS  54           HE2      LYS  54  10.008  -0.837  -0.837
  415   2HE   LYS  54           HE1      LYS  54  10.753   0.653   0.653
  416   1HZ   LYS  54           HZ1      LYS  54   7.894   0.074   0.074
  417   2HZ   LYS  54           HZ3      LYS  54   8.401   0.811   0.811
  418   3HZ   LYS  54           HZ2      LYS  54   8.697   1.570   1.570
  419    H    ALA  55           HN       ALA  55  14.073  -1.326  -1.326
  420    HA   ALA  55           HA       ALA  55  15.584  -0.405  -0.405
  421   1HB   ALA  55           HB1      ALA  55  15.718  -2.522  -2.522
  422   2HB   ALA  55           HB3      ALA  55  16.806  -1.540  -1.540
  423   3HB   ALA  55           HB2      ALA  55  17.208  -1.894  -1.894
  424    H    GLU  56           HN       GLU  56  15.639   0.600   0.600
  425    HA   GLU  56           HA       GLU  56  17.756   2.606   2.606
  426   1HB   GLU  56           HB1      GLU  56  17.842   2.786   2.786
  427   2HB   GLU  56           HB2      GLU  56  17.962   1.102   1.102
  428   1HG   GLU  56           HG2      GLU  56  15.705   0.651   0.651
  429   2HG   GLU  56           HG1      GLU  56  15.313   2.367   2.367
  430    H    GLY  57           HN       GLY  57  14.338   2.400   2.400
  431   1HA   GLY  57           HA1      GLY  57  12.711   4.091   4.091
  432   2HA   GLY  57           HA2      GLY  57  14.021   5.235   5.235
  433    H    SER  58           HN       SER  58  13.517   3.113   3.113
  434    HA   SER  58           HA       SER  58  14.273   4.923   4.923
  435   1HB   SER  58           HB2      SER  58  13.717   2.446   2.446
  436   2HB   SER  58           HB1      SER  58  12.017   2.910   2.910
  437    HG   SER  58           HG       SER  58  12.681   2.773   2.773
  438    H    GLU  59           HN       GLU  59  12.675   5.868   5.868
  439    HA   GLU  59           HA       GLU  59  10.678   7.523   7.523
  440   1HB   GLU  59           HB1      GLU  59  10.868   8.962   8.962
  441   2HB   GLU  59           HB2      GLU  59  12.475   8.560   8.560
  442   1HG   GLU  59           HG2      GLU  59  12.140   8.355   8.355
  443   2HG   GLU  59           HG1      GLU  59  12.823   6.945   6.945
  444    H    ILE  60           HN       ILE  60  10.212   4.659   4.659
  445    HA   ILE  60           HA       ILE  60   7.926   5.086   5.086
  446    HB   ILE  60           HB       ILE  60   8.300   2.735   2.735
  447   1HG1  ILE  60          HG11      ILE  60  10.525   2.848   2.848
  448   2HG1  ILE  60          HG12      ILE  60   9.034   1.919   1.919
  449   1HG2  ILE  60          HG23      ILE  60  10.741   4.522   4.522
  450   2HG2  ILE  60          HG22      ILE  60  10.696   2.992   2.992
  451   3HG2  ILE  60          HG21      ILE  60   9.588   4.293   4.293
  452   1HD1  ILE  60          HD12      ILE  60  10.932   1.559   1.559
  453   2HD1  ILE  60          HD11      ILE  60  11.115   0.656   0.656
  454   3HD1  ILE  60          HD13      ILE  60   9.650   0.473   0.473
  455    H    ARG  61           HN       ARG  61   5.885   4.400   4.400
  456    HA   ARG  61           HA       ARG  61   5.725   2.943   2.943
  457   1HB   ARG  61           HB2      ARG  61   4.807   5.639   5.639
  458   2HB   ARG  61           HB1      ARG  61   3.605   4.675   4.675
  459   1HG   ARG  61           HG1      ARG  61   6.412   4.754   4.754
  460   2HG   ARG  61           HG2      ARG  61   5.360   6.140   6.140
  461   1HD   ARG  61           HD2      ARG  61   3.673   4.650   4.650
  462   2HD   ARG  61           HD1      ARG  61   4.733   3.256   3.256
  463    HE   ARG  61           HE       ARG  61   6.370   4.261   4.261
  464   1HH1  ARG  61          HH11      ARG  61   4.229   6.732   6.732
  465   2HH1  ARG  61          HH12      ARG  61   3.967   7.164   7.164
  466   1HH2  ARG  61          HH21      ARG  61   5.636   4.400   4.400
  467   2HH2  ARG  61          HH22      ARG  61   4.763   5.845   5.845
  468    H    LEU  62           HN       LEU  62   4.206   1.322   1.322
  469    HA   LEU  62           HA       LEU  62   2.690   0.870   0.870
  470   1HB   LEU  62           HB1      LEU  62   3.144  -0.807  -0.807
  471   2HB   LEU  62           HB2      LEU  62   2.331  -1.374  -1.374
  472    HG   LEU  62           HG       LEU  62   4.552  -2.178  -2.178
  473   1HD1  LEU  62          HD12      LEU  62   3.565  -0.493  -0.493
  474   2HD1  LEU  62          HD11      LEU  62   5.118   0.266   0.266
  475   3HD1  LEU  62          HD13      LEU  62   5.057  -1.415  -1.415
  476   1HD2  LEU  62          HD21      LEU  62   5.261  -0.331  -0.331
  477   2HD2  LEU  62          HD23      LEU  62   6.447  -1.121  -1.121
  478   3HD2  LEU  62          HD22      LEU  62   5.844   0.484   0.484
  479    H    ALA  63           HN       ALA  63   0.399   0.754   0.754
  480    HA   ALA  63           HA       ALA  63  -1.067   1.152   1.152
  481   1HB   ALA  63           HB1      ALA  63  -0.484   3.165   3.165
  482   2HB   ALA  63           HB3      ALA  63  -2.204   2.807   2.807
  483   3HB   ALA  63           HB2      ALA  63  -1.537   3.302   3.302
  484    H    LYS  64           HN       LYS  64  -3.314   0.457   0.457
  485    HA   LYS  64           HA       LYS  64  -4.008  -0.998  -0.998
  486   1HB   LYS  64           HB1      LYS  64  -5.051  -2.705  -2.705
  487   2HB   LYS  64           HB2      LYS  64  -3.299  -2.675  -2.675
  488   1HG   LYS  64           HG2      LYS  64  -3.088  -1.768  -1.768
  489   2HG   LYS  64           HG1      LYS  64  -4.625  -0.912  -0.912
  490   1HD   LYS  64           HD2      LYS  64  -5.379  -2.567  -2.567
  491   2HD   LYS  64           HD1      LYS  64  -5.465  -3.509  -3.509
  492   1HE   LYS  64           HE1      LYS  64  -3.256  -4.455  -4.455
  493   2HE   LYS  64           HE2      LYS  64  -3.032  -3.409  -3.409
  494   1HZ   LYS  64           HZ3      LYS  64  -5.057  -4.394  -4.394
  495   2HZ   LYS  64           HZ2      LYS  64  -5.170  -5.448  -5.448
  496   3HZ   LYS  64           HZ1      LYS  64  -3.855  -5.563  -5.563
  497    H    VAL  65           HN       VAL  65  -6.406  -1.636  -1.636
  498    HA   VAL  65           HA       VAL  65  -8.103   0.342   0.342
  499    HB   VAL  65           HB       VAL  65  -7.968  -0.079  -0.079
  500   1HG1  VAL  65          HG13      VAL  65  -9.838   1.646   1.646
  501   2HG1  VAL  65          HG12      VAL  65  -9.757   1.627   1.627
  502   3HG1  VAL  65          HG11      VAL  65 -10.297   0.193   0.193
  503   1HG2  VAL  65          HG21      VAL  65  -7.157   2.120   2.120
  504   2HG2  VAL  65          HG23      VAL  65  -6.244   1.414   1.414
  505   3HG2  VAL  65          HG22      VAL  65  -7.594   2.499   2.499
  506    H    ASP  66           HN       ASP  66 -10.246  -0.406  -0.406
  507    HA   ASP  66           HA       ASP  66 -10.674  -3.288  -3.288
  508   1HB   ASP  66           HB1      ASP  66 -10.819  -1.903  -1.903
  509   2HB   ASP  66           HB2      ASP  66 -12.500  -1.824  -1.824
  510    H    ALA  67           HN       ALA  67 -11.584  -3.208  -3.208
  511    HA   ALA  67           HA       ALA  67 -13.283  -1.330  -1.330
  512   1HB   ALA  67           HB2      ALA  67 -12.239  -3.707  -3.707
  513   2HB   ALA  67           HB1      ALA  67 -13.898  -4.224  -4.224
  514   3HB   ALA  67           HB3      ALA  67 -13.570  -2.976  -2.976
  515    H    THR  68           HN       THR  68 -14.062  -3.657  -3.657
  516    HA   THR  68           HA       THR  68 -16.974  -3.288  -3.288
  517    HB   THR  68           HB       THR  68 -17.008  -4.872  -4.872
  518    HG1  THR  68           HG1      THR  68 -15.318  -4.537  -4.537
  519   1HG2  THR  68          HG22      THR  68 -16.644  -5.616  -5.616
  520   2HG2  THR  68          HG21      THR  68 -14.926  -5.727  -5.727
  521   3HG2  THR  68          HG23      THR  68 -16.085  -6.748  -6.748
  522    H    GLU  69           HN       GLU  69 -14.368  -1.782  -1.782
  523    HA   GLU  69           HA       GLU  69 -16.312  -0.475  -0.475
  524   1HB   GLU  69           HB2      GLU  69 -14.039  -1.894  -1.894
  525   2HB   GLU  69           HB1      GLU  69 -13.394  -0.255  -0.255
  526   1HG   GLU  69           HG2      GLU  69 -15.905  -0.753  -0.753
  527   2HG   GLU  69           HG1      GLU  69 -14.354  -1.197  -1.197
  528    H    GLU  70           HN       GLU  70 -13.275   0.241   0.241
  529    HA   GLU  70           HA       GLU  70 -14.134   3.101   3.101
  530   1HB   GLU  70           HB2      GLU  70 -11.463   1.738   1.738
  531   2HB   GLU  70           HB1      GLU  70 -11.734   3.481   3.481
  532   1HG   GLU  70           HG2      GLU  70 -11.494   3.457   3.457
  533   2HG   GLU  70           HG1      GLU  70 -12.871   2.364   2.364
  534    H    SER  71           HN       SER  71 -15.541   1.485   1.485
  535    HA   SER  71           HA       SER  71 -14.272   1.142   1.142
  536   1HB   SER  71           HB2      SER  71 -16.631   0.432   0.432
  537   2HB   SER  71           HB1      SER  71 -17.176   1.571   1.571
  538    HG   SER  71           HG       SER  71 -15.941   0.313   0.313
  539    H    ASP  72           HN       ASP  72 -15.651   3.883   3.883
  540    HA   ASP  72           HA       ASP  72 -16.550   5.513   5.513
  541   1HB   ASP  72           HB2      ASP  72 -15.572   5.767   5.767
  542   2HB   ASP  72           HB1      ASP  72 -15.220   7.198   7.198
  543    H    LEU  73           HN       LEU  73 -13.301   4.508   4.508
  544    HA   LEU  73           HA       LEU  73 -12.112   6.580   6.580
  545   1HB   LEU  73           HB1      LEU  73 -10.881   4.409   4.409
  546   2HB   LEU  73           HB2      LEU  73 -10.001   5.717   5.717
  547    HG   LEU  73           HG       LEU  73 -12.263   6.641   6.641
  548   1HD1  LEU  73          HD11      LEU  73 -11.178   4.558   4.558
  549   2HD1  LEU  73          HD13      LEU  73  -9.864   5.684   5.684
  550   3HD1  LEU  73          HD12      LEU  73 -11.492   6.030   6.030
  551   1HD2  LEU  73          HD23      LEU  73  -9.313   7.297   7.297
  552   2HD2  LEU  73          HD22      LEU  73 -10.664   8.207   8.207
  553   3HD2  LEU  73          HD21      LEU  73 -10.419   8.157   8.157
  554    H    ALA  74           HN       ALA  74 -12.945   3.200   3.200
  555    HA   ALA  74           HA       ALA  74 -11.242   2.294   2.294
  556   1HB   ALA  74           HB3      ALA  74 -13.215   1.309   1.309
  557   2HB   ALA  74           HB2      ALA  74 -13.556   0.678   0.678
  558   3HB   ALA  74           HB1      ALA  74 -11.979   0.402   0.402
  559    H    GLN  75           HN       GLN  75 -14.646   3.342   3.342
  560    HA   GLN  75           HA       GLN  75 -15.416   2.849   2.849
  561   1HB   GLN  75           HB2      GLN  75 -16.283   4.446   4.446
  562   2HB   GLN  75           HB1      GLN  75 -16.845   5.059   5.059
  563   1HG   GLN  75           HG1      GLN  75 -17.172   2.250   2.250
  564   2HG   GLN  75           HG2      GLN  75 -17.784   2.771   2.771
  565   1HE2  GLN  75          HE22      GLN  75 -20.717   4.118   4.118
  566   2HE2  GLN  75          HE21      GLN  75 -19.908   3.528   3.528
  567    H    GLN  76           HN       GLN  76 -13.659   5.524   5.524
  568    HA   GLN  76           HA       GLN  76 -13.794   7.437   7.437
  569   1HB   GLN  76           HB1      GLN  76 -12.029   6.748   6.748
  570   2HB   GLN  76           HB2      GLN  76 -11.338   7.823   7.823
  571   1HG   GLN  76           HG2      GLN  76 -14.038   8.272   8.272
  572   2HG   GLN  76           HG1      GLN  76 -12.544   9.022   9.022
  573   1HE2  GLN  76          HE22      GLN  76 -12.347  11.304  11.304
  574   2HE2  GLN  76          HE21      GLN  76 -11.470  10.568  10.568
  575    H    TYR  77           HN       TYR  77 -11.690   4.619   4.619
  576    HA   TYR  77           HA       TYR  77 -10.223   5.232   5.232
  577   1HB   TYR  77           HB2      TYR  77  -9.999   3.132   3.132
  578   2HB   TYR  77           HB1      TYR  77  -8.921   3.209   3.209
  579    HD1  TYR  77           HD2      TYR  77  -8.309   5.945   5.945
  580    HD2  TYR  77           HD1      TYR  77  -8.951   3.946   3.946
  581    HE1  TYR  77           HE2      TYR  77  -6.943   7.665   7.665
  582    HE2  TYR  77           HE1      TYR  77  -7.585   5.666   5.666
  583    HH   TYR  77           HH       TYR  77  -5.543   7.735   7.735
  584    H    GLY  78           HN       GLY  78 -12.145   2.574   2.574
  585   1HA   GLY  78           HA1      GLY  78 -13.947   1.736   1.736
  586   2HA   GLY  78           HA2      GLY  78 -12.605   1.558   1.558
  587    H    VAL  79           HN       VAL  79 -10.631   0.410   0.410
  588    HA   VAL  79           HA       VAL  79  -9.878  -1.675  -1.675
  589    HB   VAL  79           HB       VAL  79 -12.425  -1.421  -1.421
  590   1HG1  VAL  79          HG12      VAL  79  -9.777  -2.822  -2.822
  591   2HG1  VAL  79          HG11      VAL  79 -10.964  -2.568  -2.568
  592   3HG1  VAL  79          HG13      VAL  79 -11.373  -3.564  -3.564
  593   1HG2  VAL  79          HG21      VAL  79  -9.958   0.181   0.181
  594   2HG2  VAL  79          HG23      VAL  79 -11.519   0.548   0.548
  595   3HG2  VAL  79          HG22      VAL  79 -10.352  -0.453  -0.453
  596    H    ARG  80           HN       ARG  80 -10.109  -3.138  -3.138
  597    HA   ARG  80           HA       ARG  80 -12.745  -4.207  -4.207
  598   1HB   ARG  80           HB2      ARG  80 -11.195  -3.605  -3.605
  599   2HB   ARG  80           HB1      ARG  80  -9.887  -4.498  -4.498
  600   1HG   ARG  80           HG2      ARG  80 -10.531  -6.438  -6.438
  601   2HG   ARG  80           HG1      ARG  80 -12.224  -6.156  -6.156
  602   1HD   ARG  80           HD2      ARG  80 -12.488  -4.715  -4.715
  603   2HD   ARG  80           HD1      ARG  80 -10.761  -4.883  -4.883
  604    HE   ARG  80           HE       ARG  80 -12.243  -7.417  -7.417
  605   1HH1  ARG  80          HH21      ARG  80 -10.177  -8.116  -8.116
  606   2HH1  ARG  80          HH22      ARG  80 -10.534  -7.692  -7.692
  607   1HH2  ARG  80          HH11      ARG  80 -13.072  -5.485  -5.485
  608   2HH2  ARG  80          HH12      ARG  80 -12.173  -6.202  -6.202
  609    H    GLY  81           HN       GLY  81 -12.530  -4.997  -4.997
  610   1HA   GLY  81           HA2      GLY  81 -12.903  -7.188  -7.188
  611   2HA   GLY  81           HA1      GLY  81 -11.784  -7.871  -7.871
  612    H    TYR  82           HN       TYR  82 -11.338  -8.582  -8.582
  613    HA   TYR  82           HA       TYR  82  -9.071  -6.830  -6.830
  614   1HB   TYR  82           HB2      TYR  82 -10.655  -8.834  -8.834
  615   2HB   TYR  82           HB1      TYR  82  -9.593  -7.563  -7.563
  616    HD1  TYR  82           HD1      TYR  82 -10.447  -5.307  -5.307
  617    HD2  TYR  82           HD2      TYR  82 -12.758  -8.238  -8.238
  618    HE1  TYR  82           HE1      TYR  82 -12.360  -3.733  -3.733
  619    HE2  TYR  82           HE2      TYR  82 -14.673  -6.663  -6.663
  620    HH   TYR  82           HH       TYR  82 -14.509  -3.553  -3.553
  621    HA   PRO  83           HA       PRO  83  -7.755  -7.094  -7.094
  622   1HB   PRO  83           HB2      PRO  83  -5.092  -7.409  -7.409
  623   2HB   PRO  83           HB1      PRO  83  -6.355  -8.274  -8.274
  624   1HG   PRO  83           HG2      PRO  83  -4.433  -9.285  -9.285
  625   2HG   PRO  83           HG1      PRO  83  -5.414 -10.169 -10.169
  626   1HD   PRO  83           HD1      PRO  83  -5.875  -9.801  -9.801
  627   2HD   PRO  83           HD2      PRO  83  -6.778 -10.808 -10.808
  628    H    THR  84           HN       THR  84  -7.282  -5.064  -5.064
  629    HA   THR  84           HA       THR  84  -5.588  -4.972  -4.972
  630    HB   THR  84           HB       THR  84  -7.673  -3.079  -3.079
  631    HG1  THR  84           HG1      THR  84  -8.743  -3.899  -3.899
  632   1HG2  THR  84          HG21      THR  84  -5.957  -1.942  -1.942
  633   2HG2  THR  84          HG23      THR  84  -6.274  -3.078  -3.078
  634   3HG2  THR  84          HG22      THR  84  -7.531  -1.953  -1.953
  635    H    ILE  85           HN       ILE  85  -3.495  -4.678  -4.678
  636    HA   ILE  85           HA       ILE  85  -3.010  -2.749  -2.749
  637    HB   ILE  85           HB       ILE  85  -1.170  -4.311  -4.311
  638   1HG1  ILE  85          HG11      ILE  85  -1.406  -5.123  -5.123
  639   2HG1  ILE  85          HG12      ILE  85  -2.925  -5.267  -5.267
  640   1HG2  ILE  85          HG23      ILE  85  -0.555  -2.189  -2.189
  641   2HG2  ILE  85          HG22      ILE  85  -0.185  -3.623  -3.623
  642   3HG2  ILE  85          HG21      ILE  85   0.582  -3.389  -3.389
  643   1HD1  ILE  85          HD12      ILE  85  -0.261  -6.419  -6.419
  644   2HD1  ILE  85          HD11      ILE  85  -1.588  -7.341  -7.341
  645   3HD1  ILE  85          HD13      ILE  85  -1.788  -6.575  -6.575
  646    H    LYS  86           HN       LYS  86  -2.157  -0.668  -0.668
  647    HA   LYS  86           HA       LYS  86  -1.435   0.218   0.218
  648   1HB   LYS  86           HB2      LYS  86  -3.867   0.739   0.739
  649   2HB   LYS  86           HB1      LYS  86  -2.960   2.250   2.250
  650   1HG   LYS  86           HG2      LYS  86  -2.868   2.249   2.249
  651   2HG   LYS  86           HG1      LYS  86  -3.267   0.534   0.534
  652   1HD   LYS  86           HD2      LYS  86  -5.241   2.385   2.385
  653   2HD   LYS  86           HD1      LYS  86  -5.113   2.382   2.382
  654   1HE   LYS  86           HE2      LYS  86  -5.386  -0.140  -0.140
  655   2HE   LYS  86           HE1      LYS  86  -5.764   0.025   0.025
  656   1HZ   LYS  86           HZ1      LYS  86  -7.128   1.496   1.496
  657   2HZ   LYS  86           HZ3      LYS  86  -7.766   0.137   0.137
  658   3HZ   LYS  86           HZ2      LYS  86  -7.514   1.578   1.578
  659    H    PHE  87           HN       PHE  87   0.022   2.009   2.009
  660    HA   PHE  87           HA       PHE  87   1.177   2.719   2.719
  661   1HB   PHE  87           HB2      PHE  87   2.675   1.347   1.347
  662   2HB   PHE  87           HB1      PHE  87   2.400   2.327   2.327
  663    HD1  PHE  87           HD1      PHE  87   2.838   3.764   3.764
  664    HD2  PHE  87           HD2      PHE  87   4.709   2.925   2.925
  665    HE1  PHE  87           HE1      PHE  87   4.750   5.213   5.213
  666    HE2  PHE  87           HE2      PHE  87   6.616   4.380   4.380
  667    HZ   PHE  87           HZ       PHE  87   6.638   5.523   5.523
  668    H    PHE  88           HN       PHE  88   0.927   4.860   4.860
  669    HA   PHE  88           HA       PHE  88   0.401   6.790   6.790
  670   1HB   PHE  88           HB1      PHE  88  -0.409   6.553   6.553
  671   2HB   PHE  88           HB2      PHE  88  -0.528   8.096   8.096
  672    HD1  PHE  88           HD2      PHE  88  -1.949   8.294   8.294
  673    HD2  PHE  88           HD1      PHE  88  -1.943   4.768   4.768
  674    HE1  PHE  88           HE2      PHE  88  -4.072   7.558   7.558
  675    HE2  PHE  88           HE1      PHE  88  -4.065   4.033   4.033
  676    HZ   PHE  88           HZ       PHE  88  -5.129   5.427   5.427
  677    H    ARG  89           HN       ARG  89   1.728   8.609   8.609
  678    HA   ARG  89           HA       ARG  89   3.994   8.800   8.800
  679   1HB   ARG  89           HB1      ARG  89   4.652   8.081   8.081
  680   2HB   ARG  89           HB2      ARG  89   3.794   9.446   9.446
  681   1HG   ARG  89           HG2      ARG  89   5.294  10.998  10.998
  682   2HG   ARG  89           HG1      ARG  89   6.193   9.602   9.602
  683   1HD   ARG  89           HD2      ARG  89   7.370  10.459  10.459
  684   2HD   ARG  89           HD1      ARG  89   6.577   8.947   8.947
  685    HE   ARG  89           HE       ARG  89   5.039  10.212  10.212
  686   1HH1  ARG  89          HH21      ARG  89   7.617  12.126  12.126
  687   2HH1  ARG  89          HH22      ARG  89   6.783  13.640  13.640
  688   1HH2  ARG  89          HH11      ARG  89   3.637  12.198  12.198
  689   2HH2  ARG  89          HH12      ARG  89   4.530  13.681  13.681
  690    H    ASN  90           HN       ASN  90   3.939  10.650  10.650
  691    HA   ASN  90           HA       ASN  90   3.374  12.845  12.845
  692   1HB   ASN  90           HB2      ASN  90   4.975  13.212  13.212
  693   2HB   ASN  90           HB1      ASN  90   3.634  13.207  13.207
  694   1HD2  ASN  90          HD22      ASN  90   3.566  16.319  16.319
  695   2HD2  ASN  90          HD21      ASN  90   3.884  14.747  14.747
  696    H    GLY  91           HN       GLY  91   1.141  10.985  10.985
  697   1HA   GLY  91           HA1      GLY  91  -1.197  11.143  11.143
  698   2HA   GLY  91           HA2      GLY  91  -1.019  12.879  12.879
  699    H    ASP  92           HN       ASP  92  -1.181  10.339  10.339
  700    HA   ASP  92           HA       ASP  92  -1.055  12.337  12.337
  701   1HB   ASP  92           HB2      ASP  92   0.064   9.923   9.923
  702   2HB   ASP  92           HB1      ASP  92  -1.486   9.404   9.404
  703    H    THR  93           HN       THR  93  -3.222   9.832   9.832
  704    HA   THR  93           HA       THR  93  -5.519   9.413   9.413
  705    HB   THR  93           HB       THR  93  -6.838  11.420  11.420
  706    HG1  THR  93           HG1      THR  93  -6.064  13.400  13.400
  707   1HG2  THR  93          HG23      THR  93  -4.617  10.613  10.613
  708   2HG2  THR  93          HG22      THR  93  -4.657  12.376  12.376
  709   3HG2  THR  93          HG21      THR  93  -6.072  11.447  11.447
  710    H    ALA  94           HN       ALA  94  -4.076   9.213   9.213
  711    HA   ALA  94           HA       ALA  94  -6.186   9.813   9.813
  712   1HB   ALA  94           HB2      ALA  94  -3.854  11.541  11.541
  713   2HB   ALA  94           HB1      ALA  94  -4.022  11.024  11.024
  714   3HB   ALA  94           HB3      ALA  94  -5.345  11.876  11.876
  715    H    SER  95           HN       SER  95  -2.692   9.587   9.587
  716    HA   SER  95           HA       SER  95  -3.156   6.974   6.974
  717   1HB   SER  95           HB1      SER  95  -2.391   8.655   8.655
  718   2HB   SER  95           HB2      SER  95  -1.214   9.267   9.267
  719    HG   SER  95           HG       SER  95   0.010   8.028   8.028
  720    HA   PRO  96           HA       PRO  96  -0.500   6.097   6.097
  721   1HB   PRO  96           HB1      PRO  96  -1.829   3.836   3.836
  722   2HB   PRO  96           HB2      PRO  96  -2.295   5.463   5.463
  723   1HG   PRO  96           HG2      PRO  96  -3.485   3.734   3.734
  724   2HG   PRO  96           HG1      PRO  96  -4.280   4.824   4.824
  725   1HD   PRO  96           HD1      PRO  96  -3.827   5.438   5.438
  726   2HD   PRO  96           HD2      PRO  96  -3.996   6.648   6.648
  727    H    LYS  97           HN       LYS  97   1.103   4.408   4.408
  728    HA   LYS  97           HA       LYS  97   1.439   2.895   2.895
  729   1HB   LYS  97           HB1      LYS  97   3.160   3.503   3.503
  730   2HB   LYS  97           HB2      LYS  97   3.709   2.497   2.497
  731   1HG   LYS  97           HG2      LYS  97   2.527   4.937   4.937
  732   2HG   LYS  97           HG1      LYS  97   3.798   5.312   5.312
  733   1HD   LYS  97           HD2      LYS  97   5.264   3.644   3.644
  734   2HD   LYS  97           HD1      LYS  97   4.028   3.638   3.638
  735   1HE   LYS  97           HE2      LYS  97   5.299   6.200   6.200
  736   2HE   LYS  97           HE1      LYS  97   5.928   5.296   5.296
  737   1HZ   LYS  97           HZ1      LYS  97   3.734   5.375   5.375
  738   2HZ   LYS  97           HZ3      LYS  97   3.131   6.250   6.250
  739   3HZ   LYS  97           HZ2      LYS  97   4.298   6.949   6.949
  740    H    GLU  98           HN       GLU  98   0.299   0.965   0.965
  741    HA   GLU  98           HA       GLU  98  -0.450  -0.540  -0.540
  742   1HB   GLU  98           HB2      GLU  98  -0.738  -2.348  -2.348
  743   2HB   GLU  98           HB1      GLU  98  -1.302  -0.804  -0.804
  744   1HG   GLU  98           HG1      GLU  98   1.410  -0.858  -0.858
  745   2HG   GLU  98           HG2      GLU  98   0.864  -2.509  -2.509
  746    H    TYR  99           HN       TYR  99   0.463  -2.642  -2.642
  747    HA   TYR  99           HA       TYR  99   3.447  -2.563  -2.563
  748   1HB   TYR  99           HB2      TYR  99   2.323  -2.464  -2.464
  749   2HB   TYR  99           HB1      TYR  99   1.332  -3.865  -3.865
  750    HD1  TYR  99           HD1      TYR  99   4.992  -3.027  -3.027
  751    HD2  TYR  99           HD2      TYR  99   1.973  -5.804  -5.804
  752    HE1  TYR  99           HE1      TYR  99   6.751  -4.520  -4.520
  753    HE2  TYR  99           HE2      TYR  99   3.734  -7.301  -7.301
  754    HH   TYR  99           HH       TYR  99   7.176  -6.582  -6.582
  755    H    THR 100           HN       THR 100   4.613  -4.231  -4.231
  756    HA   THR 100           HA       THR 100   3.304  -6.822  -6.822
  757    HB   THR 100           HB       THR 100   3.914  -6.570  -6.570
  758    HG1  THR 100           HG1      THR 100   5.219  -5.002  -5.002
  759   1HG2  THR 100          HG23      THR 100   1.647  -5.916  -5.916
  760   2HG2  THR 100          HG22      THR 100   2.193  -4.247  -4.247
  761   3HG2  THR 100          HG21      THR 100   2.017  -5.267  -5.267
  762    H    ALA 101           HN       ALA 101   4.929  -7.791  -7.791
  763    HA   ALA 101           HA       ALA 101   7.687  -7.724  -7.724
  764   1HB   ALA 101           HB1      ALA 101   6.704  -7.375  -7.375
  765   2HB   ALA 101           HB3      ALA 101   8.330  -7.987  -7.987
  766   3HB   ALA 101           HB2      ALA 101   7.865  -6.393  -6.393
  767    H    GLY 102           HN       GLY 102   6.510  -9.481  -9.481
  768   1HA   GLY 102           HA2      GLY 102   6.475 -12.013 -12.013
  769   2HA   GLY 102           HA1      GLY 102   7.600 -11.893 -11.893
  770    H    ARG 103           HN       ARG 103   6.804 -12.101 -12.101
  771    HA   ARG 103           HA       ARG 103   4.001 -11.824 -11.824
  772   1HB   ARG 103           HB2      ARG 103   4.429 -14.008 -14.008
  773   2HB   ARG 103           HB1      ARG 103   4.925 -14.671 -14.671
  774   1HG   ARG 103           HG2      ARG 103   2.708 -15.079 -15.079
  775   2HG   ARG 103           HG1      ARG 103   2.604 -13.357 -13.357
  776   1HD   ARG 103           HD2      ARG 103   1.714 -12.828 -12.828
  777   2HD   ARG 103           HD1      ARG 103   2.472 -14.225 -14.225
  778    HE   ARG 103           HE       ARG 103   0.743 -15.325 -15.325
  779   1HH1  ARG 103          HH11      ARG 103   0.613 -15.315 -15.315
  780   2HH1  ARG 103          HH12      ARG 103  -1.038 -14.837 -14.837
  781   1HH2  ARG 103          HH21      ARG 103  -1.441 -13.782 -13.782
  782   2HH2  ARG 103          HH22      ARG 103  -2.201 -13.969 -13.969
  783    H    GLU 104           HN       GLU 104   6.589 -11.023 -11.023
  784    HA   GLU 104           HA       GLU 104   6.276 -12.134 -12.134
  785   1HB   GLU 104           HB2      GLU 104   8.736 -12.558 -12.558
  786   2HB   GLU 104           HB1      GLU 104   7.930 -13.553 -13.553
  787   1HG   GLU 104           HG2      GLU 104   8.506 -11.510 -11.510
  788   2HG   GLU 104           HG1      GLU 104   9.752 -11.202 -11.202
  789    H    ALA 105           HN       ALA 105   7.214 -10.712 -10.712
  790    HA   ALA 105           HA       ALA 105   6.895  -7.955  -7.955
  791   1HB   ALA 105           HB3      ALA 105   7.492  -9.664  -9.664
  792   2HB   ALA 105           HB2      ALA 105   9.042  -8.843  -8.843
  793   3HB   ALA 105           HB1      ALA 105   7.585  -7.911  -7.911
  794    H    ASP 106           HN       ASP 106   9.831  -9.903  -9.903
  795    HA   ASP 106           HA       ASP 106  11.661  -7.741  -7.741
  796   1HB   ASP 106           HB1      ASP 106  12.207 -10.079 -10.079
  797   2HB   ASP 106           HB2      ASP 106  11.614 -10.557 -10.557
  798    H    ASP 107           HN       ASP 107   9.254  -9.179  -9.179
  799    HA   ASP 107           HA       ASP 107  10.348  -8.101  -8.101
  800   1HB   ASP 107           HB2      ASP 107   8.029  -9.627  -9.627
  801   2HB   ASP 107           HB1      ASP 107   7.642  -8.551  -8.551
  802    H    ILE 108           HN       ILE 108   8.064  -6.989  -6.989
  803    HA   ILE 108           HA       ILE 108   7.034  -4.738  -4.738
  804    HB   ILE 108           HB       ILE 108   7.240  -5.352  -5.352
  805   1HG1  ILE 108          HG12      ILE 108   5.008  -5.731  -5.731
  806   2HG1  ILE 108          HG11      ILE 108   5.957  -7.015  -7.015
  807   1HG2  ILE 108          HG23      ILE 108   6.355  -2.985  -2.985
  808   2HG2  ILE 108          HG22      ILE 108   5.012  -3.717  -3.717
  809   3HG2  ILE 108          HG21      ILE 108   6.482  -3.254  -3.254
  810   1HD1  ILE 108          HD13      ILE 108   5.149  -6.129  -6.129
  811   2HD1  ILE 108          HD12      ILE 108   4.007  -5.133  -5.133
  812   3HD1  ILE 108          HD11      ILE 108   3.916  -6.892  -6.892
  813    H    VAL 109           HN       VAL 109   9.632  -5.107  -5.107
  814    HA   VAL 109           HA       VAL 109  10.365  -2.328  -2.328
  815    HB   VAL 109           HB       VAL 109  11.956  -4.864  -4.864
  816   1HG1  VAL 109          HG22      VAL 109  13.164  -2.573  -2.573
  817   2HG1  VAL 109          HG21      VAL 109  12.380  -2.177  -2.177
  818   3HG1  VAL 109          HG23      VAL 109  13.491  -3.543  -3.543
  819   1HG2  VAL 109          HG11      VAL 109   9.674  -4.341  -4.341
  820   2HG2  VAL 109          HG13      VAL 109  11.065  -4.893  -4.893
  821   3HG2  VAL 109          HG12      VAL 109  10.654  -3.179  -3.179
  822    H    ASN 110           HN       ASN 110  11.467  -5.064  -5.064
  823    HA   ASN 110           HA       ASN 110  13.647  -3.749  -3.749
  824   1HB   ASN 110           HB1      ASN 110  12.040  -6.170  -6.170
  825   2HB   ASN 110           HB2      ASN 110  12.519  -5.567  -5.567
  826   1HD2  ASN 110          HD22      ASN 110  15.230  -7.551  -7.551
  827   2HD2  ASN 110          HD21      ASN 110  13.551  -7.673  -7.673
  828    H    TRP 111           HN       TRP 111  10.268  -4.192  -4.192
  829    HA   TRP 111           HA       TRP 111  10.484  -2.665  -2.665
  830   1HB   TRP 111           HB1      TRP 111   8.665  -4.279  -4.279
  831   2HB   TRP 111           HB2      TRP 111   8.031  -2.885  -2.885
  832    HD1  TRP 111           HD1      TRP 111   8.044  -4.499  -4.499
  833    HE1  TRP 111           HE1      TRP 111   6.817  -3.011  -3.011
  834    HE3  TRP 111           HE3      TRP 111   7.625  -0.194  -0.194
  835    HZ2  TRP 111           HZ2      TRP 111   5.794  -0.347  -0.347
  836    HZ3  TRP 111           HZ3      TRP 111   6.521   1.802   1.802
  837    HH2  TRP 111           HH2      TRP 111   5.605   1.731   1.731
  838    H    LEU 112           HN       LEU 112  10.120  -1.713  -1.713
  839    HA   LEU 112           HA       LEU 112   9.352   1.056   1.056
  840   1HB   LEU 112           HB1      LEU 112   9.442  -0.732  -0.732
  841   2HB   LEU 112           HB2      LEU 112   9.933   0.919   0.919
  842    HG   LEU 112           HG       LEU 112   7.547   0.683   0.683
  843   1HD1  LEU 112          HD11      LEU 112   7.644  -0.393  -0.393
  844   2HD1  LEU 112          HD13      LEU 112   6.162   0.311   0.311
  845   3HD1  LEU 112          HD12      LEU 112   6.880  -1.099  -1.099
  846   1HD2  LEU 112          HD23      LEU 112   8.797   2.614   2.614
  847   2HD2  LEU 112          HD22      LEU 112   7.212   2.759   2.759
  848   3HD2  LEU 112          HD21      LEU 112   7.343   2.189   2.189
  849    H    LYS 113           HN       LYS 113  12.150  -0.640  -0.640
  850    HA   LYS 113           HA       LYS 113  13.720   1.863   1.863
  851   1HB   LYS 113           HB2      LYS 113  13.738  -0.761  -0.761
  852   2HB   LYS 113           HB1      LYS 113  15.339  -0.335  -0.335
  853   1HG   LYS 113           HG2      LYS 113  15.561   1.446   1.446
  854   2HG   LYS 113           HG1      LYS 113  13.832   1.793   1.793
  855   1HD   LYS 113           HD2      LYS 113  13.369   0.075   0.075
  856   2HD   LYS 113           HD1      LYS 113  14.925  -0.709  -0.709
  857   1HE   LYS 113           HE2      LYS 113  14.806   2.102   2.102
  858   2HE   LYS 113           HE1      LYS 113  14.672   0.696   0.696
  859   1HZ   LYS 113           HZ2      LYS 113  16.829   1.127   1.127
  860   2HZ   LYS 113           HZ1      LYS 113  16.994   1.360   1.360
  861   3HZ   LYS 113           HZ3      LYS 113  16.700  -0.193  -0.193
  862    H    LYS 114           HN       LYS 114  12.894  -0.164  -0.164
  863    HA   LYS 114           HA       LYS 114  15.284  -1.015  -1.015
  864   1HB   LYS 114           HB2      LYS 114  12.557  -0.888  -0.888
  865   2HB   LYS 114           HB1      LYS 114  13.270   0.113   0.113
  866   1HG   LYS 114           HG2      LYS 114  14.293  -1.659  -1.659
  867   2HG   LYS 114           HG1      LYS 114  14.696  -2.421  -2.421
  868   1HD   LYS 114           HD2      LYS 114  12.455  -3.280  -3.280
  869   2HD   LYS 114           HD1      LYS 114  11.893  -2.353  -2.353
  870   1HE   LYS 114           HE2      LYS 114  13.269  -3.677  -3.677
  871   2HE   LYS 114           HE1      LYS 114  14.012  -4.529  -4.529
  872   1HZ   LYS 114           HZ3      LYS 114  11.107  -4.492  -4.492
  873   2HZ   LYS 114           HZ2      LYS 114  12.156  -5.794  -5.794
  874   3HZ   LYS 114           HZ1      LYS 114  11.832  -5.312  -5.312
  875    H    ARG 115           HN       ARG 115  13.806   2.181   2.181
  876    HA   ARG 115           HA       ARG 115  16.312   3.420   3.420
  877   1HB   ARG 115           HB2      ARG 115  14.286   2.741   2.741
  878   2HB   ARG 115           HB1      ARG 115  14.031   4.460   4.460
  879   1HG   ARG 115           HG2      ARG 115  15.963   5.057   5.057
  880   2HG   ARG 115           HG1      ARG 115  16.856   3.690   3.690
  881   1HD   ARG 115           HD2      ARG 115  16.379   2.336   2.336
  882   2HD   ARG 115           HD1      ARG 115  14.763   3.035   3.035
  883    HE   ARG 115           HE       ARG 115  17.223   4.592   4.592
  884   1HH1  ARG 115          HH11      ARG 115  15.392   6.398   6.398
  885   2HH1  ARG 115          HH12      ARG 115  14.653   5.905   5.905
  886   1HH2  ARG 115          HH21      ARG 115  15.713   2.613   2.613
  887   2HH2  ARG 115          HH22      ARG 115  14.835   3.762   3.762
  888    H    THR 116           HN       THR 116  14.648   3.438   3.438
  889    HA   THR 116           HA       THR 116  13.738   4.983   4.983
  890    HB   THR 116           HB       THR 116  15.000   7.279   7.279
  891    HG1  THR 116           HG1      THR 116  16.915   6.447   6.447
  892   1HG2  THR 116          HG23      THR 116  15.473   5.864   5.864
  893   2HG2  THR 116          HG22      THR 116  16.126   7.440   7.440
  894   3HG2  THR 116          HG21      THR 116  14.386   7.228   7.228
  895    H    GLY 117           HN       GLY 117  11.668   4.508   4.508
  896   1HA   GLY 117           HA2      GLY 117   9.659   5.402   5.402
  897   2HA   GLY 117           HA1      GLY 117  10.260   6.988   6.988
  898    HA   PRO 118           HA       PRO 118  10.442   6.416   6.416
  899   1HB   PRO 118           HB2      PRO 118   8.336   8.016   8.016
  900   2HB   PRO 118           HB1      PRO 118   8.192   6.270   6.270
  901   1HG   PRO 118           HG2      PRO 118   7.399   8.530   8.530
  902   2HG   PRO 118           HG1      PRO 118   6.665   6.937   6.937
  903   1HD   PRO 118           HD2      PRO 118   8.288   7.686   7.686
  904   2HD   PRO 118           HD1      PRO 118   7.956   6.012   6.012
  905    H    ALA 119           HN       ALA 119   8.934   9.525   9.525
  906    HA   ALA 119           HA       ALA 119   9.747  11.726  11.726
  907   1HB   ALA 119           HB2      ALA 119  11.974  10.032  10.032
  908   2HB   ALA 119           HB1      ALA 119  12.361  11.686  11.686
  909   3HB   ALA 119           HB3      ALA 119  11.141  11.387  11.387
  910    H    ALA 120           HN       ALA 120  12.828  10.338  10.338
  911    HA   ALA 120           HA       ALA 120  12.493  11.730  11.730
  912   1HB   ALA 120           HB3      ALA 120  14.839  10.471  10.471
  913   2HB   ALA 120           HB2      ALA 120  14.968  11.286  11.286
  914   3HB   ALA 120           HB1      ALA 120  14.481  12.194  12.194

  Start of MODEL   23
    1   1H    ASP   1           HT1      ASP   1  -8.396  12.994  12.994
    2   2H    ASP   1           HT3      ASP   1 -10.086  12.964  12.964
    3   3H    ASP   1           HT2      ASP   1  -9.313  12.051  12.051
    4    HA   ASP   1           HA       ASP   1 -10.018  10.608  10.608
    5   1HB   ASP   1           HB1      ASP   1  -9.080  11.079  11.079
    6   2HB   ASP   1           HB2      ASP   1 -10.005  12.459  12.459
    7    H    ALA   2           HN       ALA   2  -8.754   8.725   8.725
    8    HA   ALA   2           HA       ALA   2  -5.830   8.947   8.947
    9   1HB   ALA   2           HB3      ALA   2  -7.406   8.354   8.354
   10   2HB   ALA   2           HB2      ALA   2  -7.632   6.810   6.810
   11   3HB   ALA   2           HB1      ALA   2  -6.026   7.292   7.292
   12    HA   PRO   3           HA       PRO   3  -6.119   6.307   6.307
   13   1HB   PRO   3           HB1      PRO   3  -3.439   6.291   6.291
   14   2HB   PRO   3           HB2      PRO   3  -4.510   7.632   7.632
   15   1HG   PRO   3           HG2      PRO   3  -2.621   7.385   7.385
   16   2HG   PRO   3           HG1      PRO   3  -2.984   8.791   8.791
   17   1HD   PRO   3           HD2      PRO   3  -4.005   8.437   8.437
   18   2HD   PRO   3           HD1      PRO   3  -4.818   9.372   9.372
   19    H    GLU   4           HN       GLU   4  -6.607   4.272   4.272
   20    HA   GLU   4           HA       GLU   4  -5.039   2.837   2.837
   21   1HB   GLU   4           HB2      GLU   4  -6.457   0.951   0.951
   22   2HB   GLU   4           HB1      GLU   4  -7.412   2.422   2.422
   23   1HG   GLU   4           HG2      GLU   4  -7.438   2.793   2.793
   24   2HG   GLU   4           HG1      GLU   4  -6.192   1.574   1.574
   25    H    GLU   5           HN       GLU   5  -4.036   0.614   0.614
   26    HA   GLU   5           HA       GLU   5  -2.768   0.513   0.513
   27   1HB   GLU   5           HB1      GLU   5  -0.499   0.635   0.635
   28   2HB   GLU   5           HB2      GLU   5  -1.408   2.098   2.098
   29   1HG   GLU   5           HG2      GLU   5  -0.545   1.586   1.586
   30   2HG   GLU   5           HG1      GLU   5  -2.081   0.722   0.722
   31    H    GLU   6           HN       GLU   6  -1.541  -1.534  -1.534
   32    HA   GLU   6           HA       GLU   6  -2.238  -3.629  -3.629
   33   1HB   GLU   6           HB1      GLU   6  -2.875  -3.339  -3.339
   34   2HB   GLU   6           HB2      GLU   6  -2.336  -4.942  -4.942
   35   1HG   GLU   6           HG2      GLU   6  -4.444  -3.471  -3.471
   36   2HG   GLU   6           HG1      GLU   6  -4.876  -4.407  -4.407
   37    H    ASP   7           HN       ASP   7  -0.362  -4.633  -4.633
   38    HA   ASP   7           HA       ASP   7   1.890  -5.369  -5.369
   39   1HB   ASP   7           HB2      ASP   7   1.231  -5.562  -5.562
   40   2HB   ASP   7           HB1      ASP   7   2.498  -6.454  -6.454
   41    H    HIS   8           HN       HIS   8   3.567  -4.880  -4.880
   42    HA   HIS   8           HA       HIS   8   4.389  -2.130  -2.130
   43   1HB   HIS   8           HB1      HIS   8   5.546  -4.232  -4.232
   44   2HB   HIS   8           HB2      HIS   8   6.351  -2.733  -2.733
   45    HD1  HIS   8           HD1      HIS   8   5.648  -2.696  -2.696
   46    HD2  HIS   8           HD2      HIS   8   7.044  -6.073  -6.073
   47    HE1  HIS   8           HE1      HIS   8   6.656  -4.211  -4.211
   48    H    VAL   9           HN       VAL   9   1.860  -2.384  -2.384
   49    HA   VAL   9           HA       VAL   9   2.587  -0.873  -0.873
   50    HB   VAL   9           HB       VAL   9   0.534  -3.102  -3.102
   51   1HG1  VAL   9          HG13      VAL   9   1.265  -1.129  -1.129
   52   2HG1  VAL   9          HG12      VAL   9   1.009  -2.787  -2.787
   53   3HG1  VAL   9          HG11      VAL   9  -0.278  -1.929  -1.929
   54   1HG2  VAL   9          HG22      VAL   9   3.413  -3.052  -3.052
   55   2HG2  VAL   9          HG21      VAL   9   2.433  -4.374  -4.374
   56   3HG2  VAL   9          HG23      VAL   9   2.373  -3.975  -3.975
   57    H    LEU  10           HN       LEU  10   0.601   0.358   0.358
   58    HA   LEU  10           HA       LEU  10  -0.990   1.292   1.292
   59   1HB   LEU  10           HB2      LEU  10   0.517   2.539   2.539
   60   2HB   LEU  10           HB1      LEU  10  -1.163   2.953   2.953
   61    HG   LEU  10           HG       LEU  10  -0.669   3.133   3.133
   62   1HD1  LEU  10          HD12      LEU  10   1.689   3.577   3.577
   63   2HD1  LEU  10          HD11      LEU  10   1.012   5.202   5.202
   64   3HD1  LEU  10          HD13      LEU  10   1.293   4.252   4.252
   65   1HD2  LEU  10          HD23      LEU  10  -2.267   4.346   4.346
   66   2HD2  LEU  10          HD22      LEU  10  -1.728   5.188   5.188
   67   3HD2  LEU  10          HD21      LEU  10  -0.942   5.505   5.505
   68    H    VAL  11           HN       VAL  11  -3.000   2.515   2.515
   69    HA   VAL  11           HA       VAL  11  -4.439   0.735   0.735
   70    HB   VAL  11           HB       VAL  11  -5.279   1.486   1.486
   71   1HG1  VAL  11          HG12      VAL  11  -6.852   0.745   0.745
   72   2HG1  VAL  11          HG11      VAL  11  -7.182  -0.254  -0.254
   73   3HG1  VAL  11          HG13      VAL  11  -7.377   1.497   1.497
   74   1HG2  VAL  11          HG21      VAL  11  -4.288  -0.971  -0.971
   75   2HG2  VAL  11          HG23      VAL  11  -4.065  -0.439  -0.439
   76   3HG2  VAL  11          HG22      VAL  11  -5.586  -1.185  -1.185
   77    H    LEU  12           HN       LEU  12  -6.091   1.893   1.893
   78    HA   LEU  12           HA       LEU  12  -6.164   4.842   4.842
   79   1HB   LEU  12           HB2      LEU  12  -6.220   3.319   3.319
   80   2HB   LEU  12           HB1      LEU  12  -6.315   5.074   5.074
   81    HG   LEU  12           HG       LEU  12  -4.014   3.340   3.340
   82   1HD1  LEU  12          HD22      LEU  12  -4.449   5.085   5.085
   83   2HD1  LEU  12          HD21      LEU  12  -2.826   4.800   4.800
   84   3HD1  LEU  12          HD23      LEU  12  -3.808   3.445   3.445
   85   1HD2  LEU  12          HD12      LEU  12  -4.861   6.048   6.048
   86   2HD2  LEU  12          HD11      LEU  12  -3.557   5.097   5.097
   87   3HD2  LEU  12          HD13      LEU  12  -3.267   6.037   6.037
   88    H    ARG  13           HN       ARG  13  -8.148   5.821   5.821
   89    HA   ARG  13           HA       ARG  13 -10.486   4.108   4.108
   90   1HB   ARG  13           HB1      ARG  13 -11.524   4.508   4.508
   91   2HB   ARG  13           HB2      ARG  13  -9.841   4.539   4.539
   92   1HG   ARG  13           HG2      ARG  13  -9.942   7.077   7.077
   93   2HG   ARG  13           HG1      ARG  13 -11.688   6.878   6.878
   94   1HD   ARG  13           HD1      ARG  13 -11.772   6.002   6.002
   95   2HD   ARG  13           HD2      ARG  13 -10.003   5.905   5.905
   96    HE   ARG  13           HE       ARG  13 -10.060   8.451   8.451
   97   1HH1  ARG  13          HH11      ARG  13 -13.225   7.552   7.552
   98   2HH1  ARG  13          HH12      ARG  13 -13.656   8.501   8.501
   99   1HH2  ARG  13          HH21      ARG  13 -10.379   9.312   9.312
  100   2HH2  ARG  13          HH22      ARG  13 -12.044   9.498   9.498
  101    H    LYS  14           HN       LYS  14 -12.502   5.975   5.975
  102    HA   LYS  14           HA       LYS  14 -12.306   7.514   7.514
  103   1HB   LYS  14           HB2      LYS  14 -14.096   7.186   7.186
  104   2HB   LYS  14           HB1      LYS  14 -14.232   8.755   8.755
  105   1HG   LYS  14           HG1      LYS  14 -14.417   7.513   7.513
  106   2HG   LYS  14           HG2      LYS  14 -14.529   6.019   6.019
  107   1HD   LYS  14           HD2      LYS  14 -16.342   8.210   8.210
  108   2HD   LYS  14           HD1      LYS  14 -16.696   7.484   7.484
  109   1HE   LYS  14           HE2      LYS  14 -16.585   5.212   5.212
  110   2HE   LYS  14           HE1      LYS  14 -16.494   6.063   6.063
  111   1HZ   LYS  14           HZ1      LYS  14 -18.565   6.746   6.746
  112   2HZ   LYS  14           HZ3      LYS  14 -18.806   5.473   5.473
  113   3HZ   LYS  14           HZ2      LYS  14 -18.557   7.051   7.051
  114    H    SER  15           HN       SER  15 -11.962   8.612   8.612
  115    HA   SER  15           HA       SER  15 -11.050  11.269  11.269
  116   1HB   SER  15           HB1      SER  15 -12.861  10.848  10.848
  117   2HB   SER  15           HB2      SER  15 -11.546  10.362  10.362
  118    HG   SER  15           HG       SER  15 -11.781  12.499  12.499
  119    H    ASN  16           HN       ASN  16  -9.505   8.445   8.445
  120    HA   ASN  16           HA       ASN  16  -7.171   9.717   9.717
  121   1HB   ASN  16           HB2      ASN  16  -8.211   7.828   7.828
  122   2HB   ASN  16           HB1      ASN  16  -8.059   6.830   6.830
  123   1HD2  ASN  16          HD22      ASN  16  -5.140   5.810   5.810
  124   2HD2  ASN  16          HD21      ASN  16  -6.804   5.504   5.504
  125    H    PHE  17           HN       PHE  17  -8.308   8.297   8.297
  126    HA   PHE  17           HA       PHE  17  -5.847   7.329   7.329
  127   1HB   PHE  17           HB2      PHE  17  -8.108   6.826   6.826
  128   2HB   PHE  17           HB1      PHE  17  -8.341   8.516   8.516
  129    HD1  PHE  17           HD2      PHE  17  -6.947   9.564   9.564
  130    HD2  PHE  17           HD1      PHE  17  -6.821   5.348   5.348
  131    HE1  PHE  17           HE2      PHE  17  -5.864   9.175   9.175
  132    HE2  PHE  17           HE1      PHE  17  -5.737   4.958   4.958
  133    HZ   PHE  17           HZ       PHE  17  -5.259   6.872   6.872
  134    H    ALA  18           HN       ALA  18  -7.586  10.379  10.379
  135    HA   ALA  18           HA       ALA  18  -5.555  11.632  11.632
  136   1HB   ALA  18           HB2      ALA  18  -8.020  12.345  12.345
  137   2HB   ALA  18           HB1      ALA  18  -6.902  13.686  13.686
  138   3HB   ALA  18           HB3      ALA  18  -7.513  12.786  12.786
  139    H    GLU  19           HN       GLU  19  -5.669  11.038  11.038
  140    HA   GLU  19           HA       GLU  19  -3.934  13.262  13.262
  141   1HB   GLU  19           HB1      GLU  19  -5.685  12.119  12.119
  142   2HB   GLU  19           HB2      GLU  19  -4.650  10.694  10.694
  143   1HG   GLU  19           HG2      GLU  19  -3.992  11.780  11.780
  144   2HG   GLU  19           HG1      GLU  19  -2.812  12.402  12.402
  145    H    ALA  20           HN       ALA  20  -3.525   9.702   9.702
  146    HA   ALA  20           HA       ALA  20  -0.754   9.596   9.596
  147   1HB   ALA  20           HB3      ALA  20  -2.767   7.895   7.895
  148   2HB   ALA  20           HB2      ALA  20  -1.068   7.419   7.419
  149   3HB   ALA  20           HB1      ALA  20  -1.949   7.579   7.579
  150    H    LEU  21           HN       LEU  21  -2.461   9.735   9.735
  151    HA   LEU  21           HA       LEU  21  -0.162   9.720   9.720
  152   1HB   LEU  21           HB2      LEU  21  -3.026  10.387  10.387
  153   2HB   LEU  21           HB1      LEU  21  -2.043  11.272  11.272
  154    HG   LEU  21           HG       LEU  21  -0.962   8.879   8.879
  155   1HD1  LEU  21          HD12      LEU  21  -3.010   8.281   8.281
  156   2HD1  LEU  21          HD11      LEU  21  -3.601   7.715   7.715
  157   3HD1  LEU  21          HD13      LEU  21  -2.060   7.129   7.129
  158   1HD2  LEU  21          HD21      LEU  21  -3.181  10.353  10.353
  159   2HD2  LEU  21          HD23      LEU  21  -1.893   9.454   9.454
  160   3HD2  LEU  21          HD22      LEU  21  -3.350   8.617   8.617
  161    H    ALA  22           HN       ALA  22  -1.955  12.428  12.428
  162    HA   ALA  22           HA       ALA  22   0.098  14.349  14.349
  163   1HB   ALA  22           HB2      ALA  22  -2.362  14.789  14.789
  164   2HB   ALA  22           HB1      ALA  22  -2.456  14.731  14.731
  165   3HB   ALA  22           HB3      ALA  22  -1.524  16.002  16.002
  166    H    ALA  23           HN       ALA  23   0.400  12.219  12.219
  167    HA   ALA  23           HA       ALA  23   1.075  14.063  14.063
  168   1HB   ALA  23           HB3      ALA  23   0.455  11.115  11.115
  169   2HB   ALA  23           HB2      ALA  23   1.155  11.779  11.779
  170   3HB   ALA  23           HB1      ALA  23  -0.428  12.330  12.330
  171    H    HIS  24           HN       HIS  24   2.374  11.463  11.463
  172    HA   HIS  24           HA       HIS  24   5.129  12.328  12.328
  173   1HB   HIS  24           HB1      HIS  24   3.793   9.904   9.904
  174   2HB   HIS  24           HB2      HIS  24   4.964   9.520   9.520
  175    HD1  HIS  24           HD1      HIS  24   4.932   9.187   9.187
  176    HD2  HIS  24           HD2      HIS  24   7.474  11.397  11.397
  177    HE1  HIS  24           HE1      HIS  24   7.061   9.558   9.558
  178    H    LYS  25           HN       LYS  25   6.658  10.911  10.911
  179    HA   LYS  25           HA       LYS  25   5.936  11.994  11.994
  180   1HB   LYS  25           HB1      LYS  25   8.253  11.567  11.567
  181   2HB   LYS  25           HB2      LYS  25   8.302  10.263  10.263
  182   1HG   LYS  25           HG1      LYS  25   8.507  11.703  11.703
  183   2HG   LYS  25           HG2      LYS  25   7.538  12.958  12.958
  184   1HD   LYS  25           HD2      LYS  25   9.748  13.827  13.827
  185   2HD   LYS  25           HD1      LYS  25   9.510  13.225  13.225
  186   1HE   LYS  25           HE2      LYS  25  11.447  12.067  12.067
  187   2HE   LYS  25           HE1      LYS  25  10.458  10.987  10.987
  188   1HZ   LYS  25           HZ3      LYS  25  11.518  13.523  13.523
  189   2HZ   LYS  25           HZ2      LYS  25  12.467  12.113  12.113
  190   3HZ   LYS  25           HZ1      LYS  25  10.986  12.152  12.152
  191    H    TYR  26           HN       TYR  26   7.232   8.770   8.770
  192    HA   TYR  26           HA       TYR  26   5.731   7.570   7.570
  193   1HB   TYR  26           HB2      TYR  26   7.663   6.429   6.429
  194   2HB   TYR  26           HB1      TYR  26   7.106   5.602   5.602
  195    HD1  TYR  26           HD2      TYR  26   7.133   7.711   7.711
  196    HD2  TYR  26           HD1      TYR  26   9.934   6.902   6.902
  197    HE1  TYR  26           HE2      TYR  26   8.925   8.815   8.815
  198    HE2  TYR  26           HE1      TYR  26  11.728   8.006   8.006
  199    HH   TYR  26           HH       TYR  26  11.773   8.461   8.461
  200    H    LEU  27           HN       LEU  27   3.697   6.790   6.790
  201    HA   LEU  27           HA       LEU  27   3.092   5.618   5.618
  202   1HB   LEU  27           HB1      LEU  27   2.100   7.993   7.993
  203   2HB   LEU  27           HB2      LEU  27   0.788   6.819   6.819
  204    HG   LEU  27           HG       LEU  27   0.775   8.117   8.117
  205   1HD1  LEU  27          HD21      LEU  27   1.401   5.159   5.159
  206   2HD1  LEU  27          HD23      LEU  27   0.667   6.121   6.121
  207   3HD1  LEU  27          HD22      LEU  27  -0.190   5.881   5.881
  208   1HD2  LEU  27          HD13      LEU  27   3.378   8.187   8.187
  209   2HD2  LEU  27          HD12      LEU  27   2.551   8.015   8.015
  210   3HD2  LEU  27          HD11      LEU  27   3.266   6.604   6.604
  211    H    LEU  28           HN       LEU  28   2.718   3.489   3.489
  212    HA   LEU  28           HA       LEU  28   1.602   2.602   2.602
  213   1HB   LEU  28           HB2      LEU  28   3.691   1.670   1.670
  214   2HB   LEU  28           HB1      LEU  28   2.572   0.929   0.929
  215    HG   LEU  28           HG       LEU  28   3.257  -0.604  -0.604
  216   1HD1  LEU  28          HD22      LEU  28   0.934  -0.533  -0.533
  217   2HD1  LEU  28          HD21      LEU  28   0.332  -0.012  -0.012
  218   3HD1  LEU  28          HD23      LEU  28   1.142  -1.570  -1.570
  219   1HD2  LEU  28          HD12      LEU  28   2.865   1.644   1.644
  220   2HD2  LEU  28          HD11      LEU  28   3.104  -0.001  -0.001
  221   3HD2  LEU  28          HD13      LEU  28   1.472   0.629   0.629
  222    H    VAL  29           HN       VAL  29  -0.546   2.148   2.148
  223    HA   VAL  29           HA       VAL  29  -2.026   1.442   1.442
  224    HB   VAL  29           HB       VAL  29  -2.929   3.041   3.041
  225   1HG1  VAL  29          HG21      VAL  29  -4.289   2.050   2.050
  226   2HG1  VAL  29          HG23      VAL  29  -4.828   3.548   3.548
  227   3HG1  VAL  29          HG22      VAL  29  -4.875   2.033   2.033
  228   1HG2  VAL  29          HG12      VAL  29  -1.881   3.763   3.763
  229   2HG2  VAL  29          HG11      VAL  29  -1.568   4.532   4.532
  230   3HG2  VAL  29          HG13      VAL  29  -3.109   4.790   4.790
  231    H    GLU  30           HN       GLU  30  -3.507  -0.288  -0.288
  232    HA   GLU  30           HA       GLU  30  -3.849  -1.508  -1.508
  233   1HB   GLU  30           HB2      GLU  30  -1.967  -2.629  -2.629
  234   2HB   GLU  30           HB1      GLU  30  -2.843  -2.813  -2.813
  235   1HG   GLU  30           HG2      GLU  30  -4.448  -4.319  -4.319
  236   2HG   GLU  30           HG1      GLU  30  -3.668  -4.074  -4.074
  237    H    PHE  31           HN       PHE  31  -5.922  -2.261  -2.261
  238    HA   PHE  31           HA       PHE  31  -7.847  -1.962  -1.962
  239   1HB   PHE  31           HB2      PHE  31  -8.092  -2.294  -2.294
  240   2HB   PHE  31           HB1      PHE  31  -9.465  -2.095  -2.095
  241    HD1  PHE  31           HD2      PHE  31  -6.247  -0.478  -0.478
  242    HD2  PHE  31           HD1      PHE  31 -10.179   0.052   0.052
  243    HE1  PHE  31           HE2      PHE  31  -5.936   1.981   1.981
  244    HE2  PHE  31           HE1      PHE  31  -9.868   2.512   2.512
  245    HZ   PHE  31           HZ       PHE  31  -7.747   3.476   3.476
  246    H    TYR  32           HN       TYR  32  -8.499  -3.782  -3.782
  247    HA   TYR  32           HA       TYR  32  -8.785  -6.319  -6.319
  248   1HB   TYR  32           HB2      TYR  32  -7.406  -7.527  -7.527
  249   2HB   TYR  32           HB1      TYR  32  -6.501  -6.072  -6.072
  250    HD1  TYR  32           HD2      TYR  32  -6.435  -4.154  -4.154
  251    HD2  TYR  32           HD1      TYR  32  -8.204  -7.924  -7.924
  252    HE1  TYR  32           HE2      TYR  32  -6.338  -3.532  -3.532
  253    HE2  TYR  32           HE1      TYR  32  -8.104  -7.301  -7.301
  254    HH   TYR  32           HH       TYR  32  -6.863  -5.794  -5.794
  255    H    ALA  33           HN       ALA  33 -10.014  -7.969  -7.969
  256    HA   ALA  33           HA       ALA  33 -11.811  -6.629  -6.629
  257   1HB   ALA  33           HB3      ALA  33 -12.496  -7.099  -7.099
  258   2HB   ALA  33           HB2      ALA  33 -12.977  -8.631  -8.631
  259   3HB   ALA  33           HB1      ALA  33 -13.662  -7.117  -7.117
  260    HA   PRO  34           HA       PRO  34 -11.286 -10.303 -10.303
  261   1HB   PRO  34           HB2      PRO  34 -13.803 -10.758 -10.758
  262   2HB   PRO  34           HB1      PRO  34 -12.751  -9.455  -9.455
  263   1HG   PRO  34           HG2      PRO  34 -15.003  -9.341  -9.341
  264   2HG   PRO  34           HG1      PRO  34 -14.598  -8.222  -8.222
  265   1HD   PRO  34           HD2      PRO  34 -13.984  -7.699  -7.699
  266   2HD   PRO  34           HD1      PRO  34 -12.966  -7.159  -7.159
  267    H    TRP  35           HN       TRP  35 -13.751 -10.237 -10.237
  268    HA   TRP  35           HA       TRP  35 -13.857 -13.217 -13.217
  269   1HB   TRP  35           HB2      TRP  35 -15.784 -12.768 -12.768
  270   2HB   TRP  35           HB1      TRP  35 -15.977 -12.005 -12.005
  271    HD1  TRP  35           HD1      TRP  35 -16.061  -9.416  -9.416
  272    HE1  TRP  35           HE1      TRP  35 -16.090  -7.553  -7.553
  273    HE3  TRP  35           HE3      TRP  35 -14.831 -12.136 -12.136
  274    HZ2  TRP  35           HZ2      TRP  35 -15.652  -7.255  -7.255
  275    HZ3  TRP  35           HZ3      TRP  35 -14.646 -11.037 -11.037
  276    HH2  TRP  35           HH2      TRP  35 -15.054  -8.602  -8.602
  277    H    CYS  36           HN       CYS  36 -11.890 -10.902 -10.902
  278    HA   CYS  36           HA       CYS  36 -11.821 -11.235 -11.235
  279   1HB   CYS  36           HB1      CYS  36 -10.458  -9.657  -9.657
  280   2HB   CYS  36           HB2      CYS  36  -9.574 -10.993 -10.993
  281    H    GLY  37           HN       GLY  37  -9.797 -13.065 -13.065
  282   1HA   GLY  37           HA1      GLY  37  -9.479 -15.453 -15.453
  283   2HA   GLY  37           HA2      GLY  37 -10.170 -15.498 -15.498
  284    H    HIS  38           HN       HIS  38  -8.644 -13.595 -13.595
  285    HA   HIS  38           HA       HIS  38  -5.994 -14.954 -14.954
  286   1HB   HIS  38           HB2      HIS  38  -7.576 -14.666 -14.666
  287   2HB   HIS  38           HB1      HIS  38  -7.167 -12.951 -12.951
  288    HD1  HIS  38           HD1      HIS  38  -5.066 -12.273 -12.273
  289    HD2  HIS  38           HD2      HIS  38  -5.144 -16.365 -16.365
  290    HE1  HIS  38           HE1      HIS  38  -3.016 -13.256 -13.256
  291    H    CYS  39           HN       CYS  39  -7.137 -12.437 -12.437
  292    HA   CYS  39           HA       CYS  39  -5.025 -10.472 -10.472
  293   1HB   CYS  39           HB2      CYS  39  -7.373 -10.603 -10.603
  294   2HB   CYS  39           HB1      CYS  39  -6.238  -9.253  -9.253
  295    H    LYS  40           HN       LYS  40  -5.914 -12.788 -12.788
  296    HA   LYS  40           HA       LYS  40  -3.845 -12.020 -12.020
  297   1HB   LYS  40           HB2      LYS  40  -4.578 -14.062 -14.062
  298   2HB   LYS  40           HB1      LYS  40  -5.987 -13.196 -13.196
  299   1HG   LYS  40           HG2      LYS  40  -5.920 -14.675 -14.675
  300   2HG   LYS  40           HG1      LYS  40  -4.651 -15.610 -15.610
  301   1HD   LYS  40           HD2      LYS  40  -6.349 -15.733 -15.733
  302   2HD   LYS  40           HD1      LYS  40  -7.546 -15.334 -15.334
  303   1HE   LYS  40           HE2      LYS  40  -5.598 -17.503 -17.503
  304   2HE   LYS  40           HE1      LYS  40  -6.884 -17.880 -17.880
  305   1HZ   LYS  40           HZ1      LYS  40  -7.411 -16.473 -16.473
  306   2HZ   LYS  40           HZ3      LYS  40  -7.482 -18.163 -18.163
  307   3HZ   LYS  40           HZ2      LYS  40  -8.537 -17.197 -17.197
  308    H    ALA  41           HN       ALA  41  -3.764 -13.725 -13.725
  309    HA   ALA  41           HA       ALA  41  -1.912 -15.786 -15.786
  310   1HB   ALA  41           HB2      ALA  41  -3.093 -15.028 -15.028
  311   2HB   ALA  41           HB1      ALA  41  -1.961 -13.680 -13.680
  312   3HB   ALA  41           HB3      ALA  41  -1.376 -15.337 -15.337
  313    H    LEU  42           HN       LEU  42  -1.326 -12.311 -12.311
  314    HA   LEU  42           HA       LEU  42   1.539 -12.917 -12.917
  315   1HB   LEU  42           HB2      LEU  42   2.146 -10.899 -10.899
  316   2HB   LEU  42           HB1      LEU  42   1.190 -11.953 -11.953
  317    HG   LEU  42           HG       LEU  42  -0.199  -9.833  -9.833
  318   1HD1  LEU  42          HD12      LEU  42   1.658  -9.436  -9.436
  319   2HD1  LEU  42          HD11      LEU  42   0.116  -8.585  -8.585
  320   3HD1  LEU  42          HD13      LEU  42   1.194  -8.317  -8.317
  321   1HD2  LEU  42          HD23      LEU  42  -0.877 -11.762 -11.762
  322   2HD2  LEU  42          HD22      LEU  42  -1.940 -10.598 -10.598
  323   3HD2  LEU  42          HD21      LEU  42  -1.102 -10.157 -10.157
  324    H    ALA  43           HN       ALA  43  -1.036 -12.313 -12.313
  325    HA   ALA  43           HA       ALA  43  -1.060  -9.800  -9.800
  326   1HB   ALA  43           HB1      ALA  43  -1.976 -12.476 -12.476
  327   2HB   ALA  43           HB3      ALA  43  -1.390 -11.796 -11.796
  328   3HB   ALA  43           HB2      ALA  43  -2.651 -10.963 -10.963
  329    HA   PRO  44           HA       PRO  44   2.323 -11.143 -11.143
  330   1HB   PRO  44           HB2      PRO  44   3.658 -13.491 -13.491
  331   2HB   PRO  44           HB1      PRO  44   2.182 -13.382 -13.382
  332   1HG   PRO  44           HG2      PRO  44   2.547 -14.300 -14.300
  333   2HG   PRO  44           HG1      PRO  44   1.454 -14.906 -14.906
  334   1HD   PRO  44           HD1      PRO  44   0.682 -13.271 -13.271
  335   2HD   PRO  44           HD2      PRO  44  -0.170 -13.389 -13.389
  336    H    GLU  45           HN       GLU  45   2.525 -11.169 -11.169
  337    HA   GLU  45           HA       GLU  45   5.475 -10.903 -10.903
  338   1HB   GLU  45           HB2      GLU  45   3.251 -10.863 -10.863
  339   2HB   GLU  45           HB1      GLU  45   4.969 -10.871 -10.871
  340   1HG   GLU  45           HG1      GLU  45   4.981 -13.115 -13.115
  341   2HG   GLU  45           HG2      GLU  45   4.490 -13.002 -13.002
  342    H    TYR  46           HN       TYR  46   2.526  -9.147  -9.147
  343    HA   TYR  46           HA       TYR  46   3.847  -6.614  -6.614
  344   1HB   TYR  46           HB2      TYR  46   1.819  -6.901  -6.901
  345   2HB   TYR  46           HB1      TYR  46   1.086  -7.767  -7.767
  346    HD1  TYR  46           HD1      TYR  46   0.335  -6.510  -6.510
  347    HD2  TYR  46           HD2      TYR  46   1.541  -4.516  -4.516
  348    HE1  TYR  46           HE1      TYR  46  -0.823  -4.448  -4.448
  349    HE2  TYR  46           HE2      TYR  46   0.386  -2.457  -2.457
  350    HH   TYR  46           HH       TYR  46  -0.288  -1.470  -1.470
  351    H    ALA  47           HN       ALA  47   2.942  -8.339  -8.339
  352    HA   ALA  47           HA       ALA  47   2.623  -5.924  -5.924
  353   1HB   ALA  47           HB1      ALA  47   2.586  -8.912  -8.912
  354   2HB   ALA  47           HB3      ALA  47   2.301  -7.708  -7.708
  355   3HB   ALA  47           HB2      ALA  47   1.194  -7.836  -7.836
  356    H    LYS  48           HN       LYS  48   5.121  -8.216  -8.216
  357    HA   LYS  48           HA       LYS  48   6.841  -7.300  -7.300
  358   1HB   LYS  48           HB2      LYS  48   6.355  -9.746  -9.746
  359   2HB   LYS  48           HB1      LYS  48   7.970  -9.269  -9.269
  360   1HG   LYS  48           HG2      LYS  48   8.569 -10.270 -10.270
  361   2HG   LYS  48           HG1      LYS  48   8.181  -8.674  -8.674
  362   1HD   LYS  48           HD2      LYS  48   5.714  -9.783  -9.783
  363   2HD   LYS  48           HD1      LYS  48   6.692 -11.231 -11.231
  364   1HE   LYS  48           HE2      LYS  48   7.758  -9.145  -9.145
  365   2HE   LYS  48           HE1      LYS  48   6.013  -9.274  -9.274
  366   1HZ   LYS  48           HZ3      LYS  48   6.345 -11.738 -11.738
  367   2HZ   LYS  48           HZ2      LYS  48   8.021 -11.460 -11.460
  368   3HZ   LYS  48           HZ1      LYS  48   7.053 -10.913 -10.913
  369    H    ALA  49           HN       ALA  49   6.393  -6.897  -6.897
  370    HA   ALA  49           HA       ALA  49   9.066  -6.212  -6.212
  371   1HB   ALA  49           HB1      ALA  49   7.007  -6.751  -6.751
  372   2HB   ALA  49           HB3      ALA  49   6.473  -5.100  -5.100
  373   3HB   ALA  49           HB2      ALA  49   7.977  -5.389  -5.389
  374    H    ALA  50           HN       ALA  50   6.729  -4.507  -4.507
  375    HA   ALA  50           HA       ALA  50   7.726  -1.819  -1.819
  376   1HB   ALA  50           HB3      ALA  50   5.411  -2.734  -2.734
  377   2HB   ALA  50           HB2      ALA  50   6.190  -2.603  -2.603
  378   3HB   ALA  50           HB1      ALA  50   6.007  -1.172  -1.172
  379    H    GLY  51           HN       GLY  51   8.514  -4.380  -4.380
  380   1HA   GLY  51           HA2      GLY  51  10.022  -2.601  -2.601
  381   2HA   GLY  51           HA1      GLY  51   9.921  -4.356  -4.356
  382    H    LYS  52           HN       LYS  52  10.643  -4.640  -4.640
  383    HA   LYS  52           HA       LYS  52  13.410  -5.112  -5.112
  384   1HB   LYS  52           HB2      LYS  52  11.439  -4.665  -4.665
  385   2HB   LYS  52           HB1      LYS  52  13.152  -4.786  -4.786
  386   1HG   LYS  52           HG1      LYS  52  12.851  -6.884  -6.884
  387   2HG   LYS  52           HG2      LYS  52  11.290  -6.877  -6.877
  388   1HD   LYS  52           HD2      LYS  52  12.219  -7.764  -7.764
  389   2HD   LYS  52           HD1      LYS  52  13.393  -6.449  -6.449
  390   1HE   LYS  52           HE2      LYS  52  14.918  -8.116  -8.116
  391   2HE   LYS  52           HE1      LYS  52  14.383  -7.952  -7.952
  392   1HZ   LYS  52           HZ2      LYS  52  12.606  -9.546  -9.546
  393   2HZ   LYS  52           HZ1      LYS  52  13.195  -9.751  -9.751
  394   3HZ   LYS  52           HZ3      LYS  52  14.137 -10.237 -10.237
  395    H    LEU  53           HN       LEU  53  11.813  -2.292  -2.292
  396    HA   LEU  53           HA       LEU  53  14.274  -0.868  -0.868
  397   1HB   LEU  53           HB1      LEU  53  12.729   0.964   0.964
  398   2HB   LEU  53           HB2      LEU  53  12.113  -0.551  -0.551
  399    HG   LEU  53           HG       LEU  53  11.003  -0.546  -0.546
  400   1HD1  LEU  53          HD13      LEU  53  11.658   2.228   2.228
  401   2HD1  LEU  53          HD12      LEU  53   9.978   1.975   1.975
  402   3HD1  LEU  53          HD11      LEU  53  11.282   1.564   1.564
  403   1HD2  LEU  53          HD22      LEU  53  10.013  -0.888  -0.888
  404   2HD2  LEU  53          HD21      LEU  53   8.948  -0.226  -0.226
  405   3HD2  LEU  53          HD23      LEU  53   9.675   0.842   0.842
  406    H    LYS  54           HN       LYS  54  12.228  -1.220  -1.220
  407    HA   LYS  54           HA       LYS  54  12.760   1.171   1.171
  408   1HB   LYS  54           HB2      LYS  54  11.309  -1.011  -1.011
  409   2HB   LYS  54           HB1      LYS  54  12.727  -1.495  -1.495
  410   1HG   LYS  54           HG2      LYS  54  11.794  -0.300  -0.300
  411   2HG   LYS  54           HG1      LYS  54  12.374   1.114   1.114
  412   1HD   LYS  54           HD2      LYS  54  10.279   1.546   1.546
  413   2HD   LYS  54           HD1      LYS  54   9.723  -0.112  -0.112
  414   1HE   LYS  54           HE2      LYS  54   9.381   0.214   0.214
  415   2HE   LYS  54           HE1      LYS  54  10.336   1.709   1.709
  416   1HZ   LYS  54           HZ1      LYS  54   7.871   1.339   1.339
  417   2HZ   LYS  54           HZ3      LYS  54   7.885   2.074   2.074
  418   3HZ   LYS  54           HZ2      LYS  54   8.735   2.781   2.781
  419    H    ALA  55           HN       ALA  55  14.799  -1.640  -1.640
  420    HA   ALA  55           HA       ALA  55  16.796  -0.952  -0.952
  421   1HB   ALA  55           HB2      ALA  55  16.094  -3.164  -3.164
  422   2HB   ALA  55           HB1      ALA  55  17.546  -2.629  -2.629
  423   3HB   ALA  55           HB3      ALA  55  17.617  -3.000  -3.000
  424    H    GLU  56           HN       GLU  56  16.194  -0.125  -0.125
  425    HA   GLU  56           HA       GLU  56  18.911   1.020   1.020
  426   1HB   GLU  56           HB1      GLU  56  16.479   0.685   0.685
  427   2HB   GLU  56           HB2      GLU  56  17.982   1.435   1.435
  428   1HG   GLU  56           HG2      GLU  56  17.343  -1.370  -1.370
  429   2HG   GLU  56           HG1      GLU  56  18.786  -0.620  -0.620
  430    H    GLY  57           HN       GLY  57  15.559   2.016   2.016
  431   1HA   GLY  57           HA1      GLY  57  14.920   4.131   4.131
  432   2HA   GLY  57           HA2      GLY  57  16.502   4.776   4.776
  433    H    SER  58           HN       SER  58  14.517   2.951   2.951
  434    HA   SER  58           HA       SER  58  14.662   5.027   5.027
  435   1HB   SER  58           HB2      SER  58  14.390   2.445   2.445
  436   2HB   SER  58           HB1      SER  58  12.673   2.759   2.759
  437    HG   SER  58           HG       SER  58  14.328   3.417   3.417
  438    H    GLU  59           HN       GLU  59  12.867   6.284   6.284
  439    HA   GLU  59           HA       GLU  59  10.943   7.104   7.104
  440   1HB   GLU  59           HB2      GLU  59  10.603   8.985   8.985
  441   2HB   GLU  59           HB1      GLU  59  12.314   8.741   8.741
  442   1HG   GLU  59           HG2      GLU  59  12.005   9.043   9.043
  443   2HG   GLU  59           HG1      GLU  59  12.476   7.372   7.372
  444    H    ILE  60           HN       ILE  60  10.448   4.506   4.506
  445    HA   ILE  60           HA       ILE  60   8.141   5.019   5.019
  446    HB   ILE  60           HB       ILE  60   8.898   2.224   2.224
  447   1HG1  ILE  60          HG12      ILE  60  11.167   3.132   3.132
  448   2HG1  ILE  60          HG11      ILE  60  10.930   2.281   2.281
  449   1HG2  ILE  60          HG23      ILE  60   8.475   3.870   3.870
  450   2HG2  ILE  60          HG22      ILE  60   8.845   2.146   2.146
  451   3HG2  ILE  60          HG21      ILE  60   7.355   2.720   2.720
  452   1HD1  ILE  60          HD13      ILE  60  10.123   5.061   5.061
  453   2HD1  ILE  60          HD12      ILE  60  11.795   4.929   4.929
  454   3HD1  ILE  60          HD11      ILE  60  11.300   4.161   4.161
  455    H    ARG  61           HN       ARG  61   6.053   4.262   4.262
  456    HA   ARG  61           HA       ARG  61   5.756   3.092   3.092
  457   1HB   ARG  61           HB2      ARG  61   5.400   5.707   5.707
  458   2HB   ARG  61           HB1      ARG  61   3.811   5.137   5.137
  459   1HG   ARG  61           HG1      ARG  61   3.197   5.023   5.023
  460   2HG   ARG  61           HG2      ARG  61   4.414   3.770   3.770
  461   1HD   ARG  61           HD2      ARG  61   5.206   5.338   5.338
  462   2HD   ARG  61           HD1      ARG  61   6.017   5.951   5.951
  463    HE   ARG  61           HE       ARG  61   3.910   7.397   7.397
  464   1HH1  ARG  61          HH21      ARG  61   5.733   7.004   7.004
  465   2HH1  ARG  61          HH22      ARG  61   4.669   7.911   7.911
  466   1HH2  ARG  61          HH11      ARG  61   2.196   8.233   8.233
  467   2HH2  ARG  61          HH12      ARG  61   2.668   8.606   8.606
  468    H    LEU  62           HN       LEU  62   4.359   1.371   1.371
  469    HA   LEU  62           HA       LEU  62   2.851   0.764   0.764
  470   1HB   LEU  62           HB1      LEU  62   3.971  -0.669  -0.669
  471   2HB   LEU  62           HB2      LEU  62   2.492  -1.348  -1.348
  472    HG   LEU  62           HG       LEU  62   3.584  -1.289  -1.289
  473   1HD1  LEU  62          HD11      LEU  62   5.246   0.466   0.466
  474   2HD1  LEU  62          HD13      LEU  62   6.043  -0.619  -0.619
  475   3HD1  LEU  62          HD12      LEU  62   6.036  -0.998  -0.998
  476   1HD2  LEU  62          HD23      LEU  62   4.429  -2.955  -2.955
  477   2HD2  LEU  62          HD22      LEU  62   3.752  -3.443  -3.443
  478   3HD2  LEU  62          HD21      LEU  62   5.465  -3.045  -3.045
  479    H    ALA  63           HN       ALA  63   0.535   0.316   0.316
  480    HA   ALA  63           HA       ALA  63  -0.919   0.764   0.764
  481   1HB   ALA  63           HB1      ALA  63  -0.683   2.790   2.790
  482   2HB   ALA  63           HB3      ALA  63  -2.165   2.717   2.717
  483   3HB   ALA  63           HB2      ALA  63  -0.623   3.039   3.039
  484    H    LYS  64           HN       LYS  64  -3.155   0.145   0.145
  485    HA   LYS  64           HA       LYS  64  -4.046  -0.788  -0.788
  486   1HB   LYS  64           HB1      LYS  64  -4.810  -2.922  -2.922
  487   2HB   LYS  64           HB2      LYS  64  -3.081  -2.745  -2.745
  488   1HG   LYS  64           HG2      LYS  64  -2.740  -2.109  -2.109
  489   2HG   LYS  64           HG1      LYS  64  -4.473  -1.906  -1.906
  490   1HD   LYS  64           HD2      LYS  64  -4.875  -4.238  -4.238
  491   2HD   LYS  64           HD1      LYS  64  -3.310  -4.567  -4.567
  492   1HE   LYS  64           HE1      LYS  64  -2.136  -4.216  -4.216
  493   2HE   LYS  64           HE2      LYS  64  -3.489  -3.330  -3.330
  494   1HZ   LYS  64           HZ1      LYS  64  -3.652  -6.167  -6.167
  495   2HZ   LYS  64           HZ3      LYS  64  -3.297  -5.706  -5.706
  496   3HZ   LYS  64           HZ2      LYS  64  -4.799  -5.303  -5.303
  497    H    VAL  65           HN       VAL  65  -6.366  -1.457  -1.457
  498    HA   VAL  65           HA       VAL  65  -7.949  -0.057  -0.057
  499    HB   VAL  65           HB       VAL  65  -7.715   1.516   1.516
  500   1HG1  VAL  65          HG22      VAL  65  -7.072  -0.268  -0.268
  501   2HG1  VAL  65          HG21      VAL  65  -8.787  -0.642  -0.642
  502   3HG1  VAL  65          HG23      VAL  65  -8.185   0.950   0.950
  503   1HG2  VAL  65          HG13      VAL  65 -10.396   0.097   0.097
  504   2HG2  VAL  65          HG12      VAL  65  -9.973   1.348   1.348
  505   3HG2  VAL  65          HG11      VAL  65 -10.072   1.744   1.744
  506    H    ASP  66           HN       ASP  66 -10.193  -0.816  -0.816
  507    HA   ASP  66           HA       ASP  66 -10.450  -3.651  -3.651
  508   1HB   ASP  66           HB2      ASP  66 -11.381  -1.901  -1.901
  509   2HB   ASP  66           HB1      ASP  66 -12.660  -2.928  -2.928
  510    H    ALA  67           HN       ALA  67 -11.011  -3.398  -3.398
  511    HA   ALA  67           HA       ALA  67 -12.721  -1.574  -1.574
  512   1HB   ALA  67           HB3      ALA  67 -11.348  -3.695  -3.695
  513   2HB   ALA  67           HB2      ALA  67 -12.916  -4.492  -4.492
  514   3HB   ALA  67           HB1      ALA  67 -12.715  -3.114  -3.114
  515    H    THR  68           HN       THR  68 -13.590  -4.219  -4.219
  516    HA   THR  68           HA       THR  68 -16.435  -4.192  -4.192
  517    HB   THR  68           HB       THR  68 -15.287  -6.195  -6.195
  518    HG1  THR  68           HG1      THR  68 -16.949  -6.751  -6.751
  519   1HG2  THR  68          HG21      THR  68 -14.551  -4.331  -4.331
  520   2HG2  THR  68          HG23      THR  68 -14.719  -6.053  -6.053
  521   3HG2  THR  68          HG22      THR  68 -13.547  -5.505  -5.505
  522    H    GLU  69           HN       GLU  69 -14.348  -2.398  -2.398
  523    HA   GLU  69           HA       GLU  69 -16.721  -1.315  -1.315
  524   1HB   GLU  69           HB1      GLU  69 -14.580  -2.429  -2.429
  525   2HB   GLU  69           HB2      GLU  69 -13.836  -0.865  -0.865
  526   1HG   GLU  69           HG1      GLU  69 -15.627   0.259   0.259
  527   2HG   GLU  69           HG2      GLU  69 -16.371  -1.305  -1.305
  528    H    GLU  70           HN       GLU  70 -14.105  -0.528  -0.528
  529    HA   GLU  70           HA       GLU  70 -14.962   2.349   2.349
  530   1HB   GLU  70           HB2      GLU  70 -12.247   1.136   1.136
  531   2HB   GLU  70           HB1      GLU  70 -12.615   2.858   2.858
  532   1HG   GLU  70           HG2      GLU  70 -11.949   2.647   2.647
  533   2HG   GLU  70           HG1      GLU  70 -13.560   1.981   1.981
  534    H    SER  71           HN       SER  71 -15.981   0.092   0.092
  535    HA   SER  71           HA       SER  71 -14.976  -0.069  -0.069
  536   1HB   SER  71           HB2      SER  71 -17.583  -0.163  -0.163
  537   2HB   SER  71           HB1      SER  71 -16.809  -1.421  -1.421
  538    HG   SER  71           HG       SER  71 -18.354   0.788   0.788
  539    H    ASP  72           HN       ASP  72 -16.870   2.558   2.558
  540    HA   ASP  72           HA       ASP  72 -17.466   4.031   4.031
  541   1HB   ASP  72           HB2      ASP  72 -16.791   5.684   5.684
  542   2HB   ASP  72           HB1      ASP  72 -17.723   4.268   4.268
  543    H    LEU  73           HN       LEU  73 -14.510   3.752   3.752
  544    HA   LEU  73           HA       LEU  73 -13.168   5.997   5.997
  545   1HB   LEU  73           HB2      LEU  73 -12.763   5.139   5.139
  546   2HB   LEU  73           HB1      LEU  73 -12.055   3.691   3.691
  547    HG   LEU  73           HG       LEU  73 -10.510   5.302   5.302
  548   1HD1  LEU  73          HD23      LEU  73 -12.166   7.177   7.177
  549   2HD1  LEU  73          HD22      LEU  73 -10.573   7.297   7.297
  550   3HD1  LEU  73          HD21      LEU  73 -10.748   7.515   7.515
  551   1HD2  LEU  73          HD13      LEU  73  -9.870   3.873   3.873
  552   2HD2  LEU  73          HD12      LEU  73  -8.931   5.360   5.360
  553   3HD2  LEU  73          HD11      LEU  73 -10.236   5.250   5.250
  554    H    ALA  74           HN       ALA  74 -13.230   2.468   2.468
  555    HA   ALA  74           HA       ALA  74 -11.109   2.305   2.305
  556   1HB   ALA  74           HB1      ALA  74 -12.126   0.503   0.503
  557   2HB   ALA  74           HB3      ALA  74 -13.438   0.405   0.405
  558   3HB   ALA  74           HB2      ALA  74 -11.790   0.016   0.016
  559    H    GLN  75           HN       GLN  75 -14.668   2.484   2.484
  560    HA   GLN  75           HA       GLN  75 -14.915   2.203   2.203
  561   1HB   GLN  75           HB2      GLN  75 -16.556   2.531   2.531
  562   2HB   GLN  75           HB1      GLN  75 -16.743   4.082   4.082
  563   1HG   GLN  75           HG2      GLN  75 -17.805   3.156   3.156
  564   2HG   GLN  75           HG1      GLN  75 -16.811   1.699   1.699
  565   1HE2  GLN  75          HE22      GLN  75 -20.438   1.667   1.667
  566   2HE2  GLN  75          HE21      GLN  75 -19.891   2.985   2.985
  567    H    GLN  76           HN       GLN  76 -13.911   4.889   4.889
  568    HA   GLN  76           HA       GLN  76 -14.329   7.061   7.061
  569   1HB   GLN  76           HB2      GLN  76 -13.417   6.726   6.726
  570   2HB   GLN  76           HB1      GLN  76 -11.881   6.966   6.966
  571   1HG   GLN  76           HG1      GLN  76 -12.416   9.174   9.174
  572   2HG   GLN  76           HG2      GLN  76 -13.258   8.967   8.967
  573   1HE2  GLN  76          HE22      GLN  76 -15.422   9.296   9.296
  574   2HE2  GLN  76          HE21      GLN  76 -13.749   9.017   9.017
  575    H    TYR  77           HN       TYR  77 -11.710   4.690   4.690
  576    HA   TYR  77           HA       TYR  77 -10.187   5.988   5.988
  577   1HB   TYR  77           HB1      TYR  77  -9.810   3.772   3.772
  578   2HB   TYR  77           HB2      TYR  77  -8.785   3.803   3.803
  579    HD1  TYR  77           HD1      TYR  77  -9.807   5.691   5.691
  580    HD2  TYR  77           HD2      TYR  77  -7.084   5.481   5.481
  581    HE1  TYR  77           HE1      TYR  77  -8.404   7.450   7.450
  582    HE2  TYR  77           HE2      TYR  77  -5.681   7.240   7.240
  583    HH   TYR  77           HH       TYR  77  -6.634   9.273   9.273
  584    H    GLY  78           HN       GLY  78 -11.666   2.802   2.802
  585   1HA   GLY  78           HA1      GLY  78 -13.155   2.071   2.071
  586   2HA   GLY  78           HA2      GLY  78 -11.689   2.318   2.318
  587    H    VAL  79           HN       VAL  79 -12.039   0.908   0.908
  588    HA   VAL  79           HA       VAL  79 -10.307  -1.333  -1.333
  589    HB   VAL  79           HB       VAL  79 -11.976  -0.772  -0.772
  590   1HG1  VAL  79          HG13      VAL  79 -10.952  -3.112  -3.112
  591   2HG1  VAL  79          HG12      VAL  79  -9.397  -2.323  -2.323
  592   3HG1  VAL  79          HG11      VAL  79 -10.601  -2.335  -2.335
  593   1HG2  VAL  79          HG21      VAL  79  -9.298   0.212   0.212
  594   2HG2  VAL  79          HG23      VAL  79 -10.593   1.107   1.107
  595   3HG2  VAL  79          HG22      VAL  79  -9.586  -0.001  -0.001
  596    H    ARG  80           HN       ARG  80 -11.029  -3.236  -3.236
  597    HA   ARG  80           HA       ARG  80 -13.805  -4.147  -4.147
  598   1HB   ARG  80           HB1      ARG  80 -12.552  -3.459  -3.459
  599   2HB   ARG  80           HB2      ARG  80 -13.744  -4.756  -4.756
  600   1HG   ARG  80           HG2      ARG  80 -14.698  -2.527  -2.527
  601   2HG   ARG  80           HG1      ARG  80 -14.229  -1.958  -1.958
  602   1HD   ARG  80           HD2      ARG  80 -15.647  -4.475  -4.475
  603   2HD   ARG  80           HD1      ARG  80 -16.622  -3.293  -3.293
  604    HE   ARG  80           HE       ARG  80 -15.275  -2.344  -2.344
  605   1HH1  ARG  80          HH21      ARG  80 -18.002  -4.110  -4.110
  606   2HH1  ARG  80          HH22      ARG  80 -19.143  -3.079  -3.079
  607   1HH2  ARG  80          HH11      ARG  80 -16.792  -0.661  -0.661
  608   2HH2  ARG  80          HH12      ARG  80 -18.457  -1.126  -1.126
  609    H    GLY  81           HN       GLY  81 -11.254  -5.117  -5.117
  610   1HA   GLY  81           HA2      GLY  81 -11.528  -7.886  -7.886
  611   2HA   GLY  81           HA1      GLY  81 -10.404  -7.429  -7.429
  612    H    TYR  82           HN       TYR  82 -10.806  -7.845  -7.845
  613    HA   TYR  82           HA       TYR  82  -8.333  -6.505  -6.505
  614   1HB   TYR  82           HB2      TYR  82  -9.894  -8.646  -8.646
  615   2HB   TYR  82           HB1      TYR  82  -8.884  -7.387  -7.387
  616    HD1  TYR  82           HD1      TYR  82  -9.980  -5.195  -5.195
  617    HD2  TYR  82           HD2      TYR  82 -11.839  -8.014  -8.014
  618    HE1  TYR  82           HE1      TYR  82 -11.966  -3.720  -3.720
  619    HE2  TYR  82           HE2      TYR  82 -13.820  -6.536  -6.536
  620    HH   TYR  82           HH       TYR  82 -14.889  -4.764  -4.764
  621    HA   PRO  83           HA       PRO  83  -6.981  -6.823  -6.823
  622   1HB   PRO  83           HB2      PRO  83  -4.271  -6.943  -6.943
  623   2HB   PRO  83           HB1      PRO  83  -5.393  -7.957  -7.957
  624   1HG   PRO  83           HG1      PRO  83  -3.588  -8.677  -8.677
  625   2HG   PRO  83           HG2      PRO  83  -4.294  -9.695  -9.695
  626   1HD   PRO  83           HD1      PRO  83  -5.131  -9.432  -9.432
  627   2HD   PRO  83           HD2      PRO  83  -5.881 -10.404 -10.404
  628    H    THR  84           HN       THR  84  -7.020  -4.826  -4.826
  629    HA   THR  84           HA       THR  84  -5.464  -4.393  -4.393
  630    HB   THR  84           HB       THR  84  -7.514  -2.741  -2.741
  631    HG1  THR  84           HG1      THR  84  -8.549  -4.443  -4.443
  632   1HG2  THR  84          HG21      THR  84  -5.683  -1.917  -1.917
  633   2HG2  THR  84          HG23      THR  84  -7.197  -2.162  -2.162
  634   3HG2  THR  84          HG22      THR  84  -7.140  -1.061  -1.061
  635    H    ILE  85           HN       ILE  85  -3.318  -4.286  -4.286
  636    HA   ILE  85           HA       ILE  85  -2.765  -2.316  -2.316
  637    HB   ILE  85           HB       ILE  85  -1.551  -4.478  -4.478
  638   1HG1  ILE  85          HG12      ILE  85   0.479  -2.313  -2.313
  639   2HG1  ILE  85          HG11      ILE  85  -0.590  -2.217  -2.217
  640   1HG2  ILE  85          HG23      ILE  85  -0.524  -2.979  -2.979
  641   2HG2  ILE  85          HG22      ILE  85   0.159  -4.489  -4.489
  642   3HG2  ILE  85          HG21      ILE  85  -1.493  -4.453  -4.453
  643   1HD1  ILE  85          HD12      ILE  85   0.840  -4.785  -4.785
  644   2HD1  ILE  85          HD11      ILE  85   1.649  -3.519  -3.519
  645   3HD1  ILE  85          HD13      ILE  85   0.178  -4.263  -4.263
  646    H    LYS  86           HN       LYS  86  -1.524  -0.365  -0.365
  647    HA   LYS  86           HA       LYS  86  -0.968   0.583   0.583
  648   1HB   LYS  86           HB2      LYS  86  -3.460   1.012   1.012
  649   2HB   LYS  86           HB1      LYS  86  -2.596   2.529   2.529
  650   1HG   LYS  86           HG1      LYS  86  -3.095   3.057   3.057
  651   2HG   LYS  86           HG2      LYS  86  -1.971   1.791   1.791
  652   1HD   LYS  86           HD2      LYS  86  -3.695   0.189   0.189
  653   2HD   LYS  86           HD1      LYS  86  -4.827   1.145   1.145
  654   1HE   LYS  86           HE1      LYS  86  -4.242   2.894   2.894
  655   2HE   LYS  86           HE2      LYS  86  -4.196   1.331   1.331
  656   1HZ   LYS  86           HZ1      LYS  86  -6.309   0.771   0.771
  657   2HZ   LYS  86           HZ3      LYS  86  -6.369   2.339   2.339
  658   3HZ   LYS  86           HZ2      LYS  86  -6.462   2.109   2.109
  659    H    PHE  87           HN       PHE  87   0.597   2.221   2.221
  660    HA   PHE  87           HA       PHE  87   1.689   2.969   2.969
  661   1HB   PHE  87           HB1      PHE  87   3.186   1.690   1.690
  662   2HB   PHE  87           HB2      PHE  87   2.891   2.786   2.786
  663    HD1  PHE  87           HD1      PHE  87   3.462   3.598   3.598
  664    HD2  PHE  87           HD2      PHE  87   4.998   3.790   3.790
  665    HE1  PHE  87           HE1      PHE  87   5.315   5.048   5.048
  666    HE2  PHE  87           HE2      PHE  87   6.853   5.240   5.240
  667    HZ   PHE  87           HZ       PHE  87   7.015   5.877   5.877
  668    H    PHE  88           HN       PHE  88   1.486   5.090   5.090
  669    HA   PHE  88           HA       PHE  88   0.774   7.093   7.093
  670   1HB   PHE  88           HB1      PHE  88   0.202   6.763   6.763
  671   2HB   PHE  88           HB2      PHE  88  -0.053   8.304   8.304
  672    HD1  PHE  88           HD2      PHE  88  -1.531   8.330   8.330
  673    HD2  PHE  88           HD1      PHE  88  -1.393   5.031   5.031
  674    HE1  PHE  88           HE2      PHE  88  -3.698   7.507   7.507
  675    HE2  PHE  88           HE1      PHE  88  -3.560   4.209   4.209
  676    HZ   PHE  88           HZ       PHE  88  -4.698   5.433   5.433
  677    H    ARG  89           HN       ARG  89   1.849   9.180   9.180
  678    HA   ARG  89           HA       ARG  89   4.345   9.199   9.199
  679   1HB   ARG  89           HB2      ARG  89   4.542   8.634   8.634
  680   2HB   ARG  89           HB1      ARG  89   4.074  10.307  10.307
  681   1HG   ARG  89           HG2      ARG  89   5.987  10.843  10.843
  682   2HG   ARG  89           HG1      ARG  89   6.569   9.240   9.240
  683   1HD   ARG  89           HD2      ARG  89   7.641  10.795  10.795
  684   2HD   ARG  89           HD1      ARG  89   6.359  10.011  10.011
  685    HE   ARG  89           HE       ARG  89   5.053  12.157  12.157
  686   1HH1  ARG  89          HH21      ARG  89   6.974  14.072  14.072
  687   2HH1  ARG  89          HH22      ARG  89   7.371  14.634  14.634
  688   1HH2  ARG  89          HH11      ARG  89   5.999  11.884  11.884
  689   2HH2  ARG  89          HH12      ARG  89   6.821  13.395  13.395
  690    H    ASN  90           HN       ASN  90   3.953  10.809  10.809
  691    HA   ASN  90           HA       ASN  90   3.325  12.913  12.913
  692   1HB   ASN  90           HB2      ASN  90   5.308  13.261  13.261
  693   2HB   ASN  90           HB1      ASN  90   4.154  13.784  13.784
  694   1HD2  ASN  90          HD22      ASN  90   5.436  16.610  16.610
  695   2HD2  ASN  90          HD21      ASN  90   6.292  15.279  15.279
  696    H    GLY  91           HN       GLY  91   1.035  11.599  11.599
  697   1HA   GLY  91           HA2      GLY  91  -1.206  12.088  12.088
  698   2HA   GLY  91           HA1      GLY  91  -0.750  13.791  13.791
  699    H    ASP  92           HN       ASP  92  -1.410  10.979  10.979
  700    HA   ASP  92           HA       ASP  92  -0.636  12.434  12.434
  701   1HB   ASP  92           HB1      ASP  92  -0.169   9.832   9.832
  702   2HB   ASP  92           HB2      ASP  92  -1.371   9.643   9.643
  703    H    THR  93           HN       THR  93  -3.100  10.039  10.039
  704    HA   THR  93           HA       THR  93  -5.348   9.779   9.779
  705    HB   THR  93           HB       THR  93  -6.637  11.785  11.785
  706    HG1  THR  93           HG1      THR  93  -5.305  13.716  13.716
  707   1HG2  THR  93          HG21      THR  93  -4.923  10.524  10.524
  708   2HG2  THR  93          HG23      THR  93  -4.421  12.204  12.204
  709   3HG2  THR  93          HG22      THR  93  -6.096  11.746  11.746
  710    H    ALA  94           HN       ALA  94  -3.568   9.938   9.938
  711    HA   ALA  94           HA       ALA  94  -5.454  10.778  10.778
  712   1HB   ALA  94           HB1      ALA  94  -3.377  12.535  12.535
  713   2HB   ALA  94           HB3      ALA  94  -3.127  12.198  12.198
  714   3HB   ALA  94           HB2      ALA  94  -4.653  12.889  12.889
  715    H    SER  95           HN       SER  95  -1.908  10.475  10.475
  716    HA   SER  95           HA       SER  95  -2.068   8.179   8.179
  717   1HB   SER  95           HB1      SER  95  -1.215  10.125  10.125
  718   2HB   SER  95           HB2      SER  95  -0.165  10.524  10.524
  719    HG   SER  95           HG       SER  95   0.030   8.144   8.144
  720    HA   PRO  96           HA       PRO  96   0.170   7.010   7.010
  721   1HB   PRO  96           HB1      PRO  96  -1.257   4.723   4.723
  722   2HB   PRO  96           HB2      PRO  96  -1.743   6.316   6.316
  723   1HG   PRO  96           HG2      PRO  96  -2.752   4.792   4.792
  724   2HG   PRO  96           HG1      PRO  96  -3.645   5.773   5.773
  725   1HD   PRO  96           HD2      PRO  96  -2.991   6.652   6.652
  726   2HD   PRO  96           HD1      PRO  96  -3.196   7.731   7.731
  727    H    LYS  97           HN       LYS  97   1.386   4.880   4.880
  728    HA   LYS  97           HA       LYS  97   2.058   3.697   3.697
  729   1HB   LYS  97           HB1      LYS  97   3.544   4.321   4.321
  730   2HB   LYS  97           HB2      LYS  97   4.175   3.095   3.095
  731   1HG   LYS  97           HG2      LYS  97   4.718   4.629   4.629
  732   2HG   LYS  97           HG1      LYS  97   3.317   5.641   5.641
  733   1HD   LYS  97           HD2      LYS  97   4.798   7.036   7.036
  734   2HD   LYS  97           HD1      LYS  97   4.794   5.866   5.866
  735   1HE   LYS  97           HE2      LYS  97   7.054   5.796   5.796
  736   2HE   LYS  97           HE1      LYS  97   6.586   4.709   4.709
  737   1HZ   LYS  97           HZ2      LYS  97   6.672   7.669   7.669
  738   2HZ   LYS  97           HZ1      LYS  97   7.938   6.648   6.648
  739   3HZ   LYS  97           HZ3      LYS  97   6.423   6.547   6.547
  740    H    GLU  98           HN       GLU  98   1.059   1.719   1.719
  741    HA   GLU  98           HA       GLU  98  -0.001   0.122   0.122
  742   1HB   GLU  98           HB2      GLU  98  -0.005  -1.633  -1.633
  743   2HB   GLU  98           HB1      GLU  98  -0.646  -0.083  -0.083
  744   1HG   GLU  98           HG1      GLU  98   1.061   0.242   0.242
  745   2HG   GLU  98           HG2      GLU  98   2.269  -0.356  -0.356
  746    H    TYR  99           HN       TYR  99   0.814  -2.024  -2.024
  747    HA   TYR  99           HA       TYR  99   3.779  -1.976  -1.976
  748   1HB   TYR  99           HB2      TYR  99   2.510  -1.915  -1.915
  749   2HB   TYR  99           HB1      TYR  99   1.444  -3.205  -3.205
  750    HD1  TYR  99           HD1      TYR  99   4.983  -2.463  -2.463
  751    HD2  TYR  99           HD2      TYR  99   1.973  -5.477  -5.477
  752    HE1  TYR  99           HE1      TYR  99   6.494  -4.158  -4.158
  753    HE2  TYR  99           HE2      TYR  99   3.484  -7.170  -7.170
  754    HH   TYR  99           HH       TYR  99   5.899  -6.623  -6.623
  755    H    THR 100           HN       THR 100   4.995  -3.564  -3.564
  756    HA   THR 100           HA       THR 100   3.617  -5.691  -5.691
  757    HB   THR 100           HB       THR 100   5.966  -6.026  -6.026
  758    HG1  THR 100           HG1      THR 100   7.491  -5.239  -5.239
  759   1HG2  THR 100          HG21      THR 100   4.530  -3.404  -3.404
  760   2HG2  THR 100          HG23      THR 100   6.125  -3.512  -3.512
  761   3HG2  THR 100          HG22      THR 100   4.821  -4.564  -4.564
  762    H    ALA 101           HN       ALA 101   5.401  -7.778  -7.778
  763    HA   ALA 101           HA       ALA 101   5.923  -9.666  -9.666
  764   1HB   ALA 101           HB2      ALA 101   7.417  -7.588  -7.588
  765   2HB   ALA 101           HB1      ALA 101   6.502  -7.761  -7.761
  766   3HB   ALA 101           HB3      ALA 101   7.474  -9.104  -9.104
  767    H    GLY 102           HN       GLY 102   5.656  -9.550  -9.550
  768   1HA   GLY 102           HA2      GLY 102   3.667  -9.114  -9.114
  769   2HA   GLY 102           HA1      GLY 102   2.665  -9.615  -9.615
  770    H    ARG 103           HN       ARG 103   5.339 -10.860 -10.860
  771    HA   ARG 103           HA       ARG 103   3.923 -13.490 -13.490
  772   1HB   ARG 103           HB1      ARG 103   5.714 -13.417 -13.417
  773   2HB   ARG 103           HB2      ARG 103   6.885 -13.043 -13.043
  774   1HG   ARG 103           HG2      ARG 103   6.873 -15.462 -15.462
  775   2HG   ARG 103           HG1      ARG 103   6.344 -15.164 -15.164
  776   1HD   ARG 103           HD2      ARG 103   4.142 -15.753 -15.753
  777   2HD   ARG 103           HD1      ARG 103   4.258 -15.273 -15.273
  778    HE   ARG 103           HE       ARG 103   5.600 -17.309 -17.309
  779   1HH1  ARG 103          HH21      ARG 103   5.722 -17.233 -17.233
  780   2HH1  ARG 103          HH22      ARG 103   5.061 -18.808 -18.808
  781   1HH2  ARG 103          HH11      ARG 103   4.020 -19.252 -19.252
  782   2HH2  ARG 103          HH12      ARG 103   4.098 -19.951 -19.951
  783    H    GLU 104           HN       GLU 104   6.504 -11.458 -11.458
  784    HA   GLU 104           HA       GLU 104   5.785 -12.453 -12.453
  785   1HB   GLU 104           HB2      GLU 104   8.401 -12.688 -12.688
  786   2HB   GLU 104           HB1      GLU 104   8.375 -12.597 -12.597
  787   1HG   GLU 104           HG2      GLU 104   7.040 -14.584 -14.584
  788   2HG   GLU 104           HG1      GLU 104   6.701 -14.580 -14.580
  789    H    ALA 105           HN       ALA 105   7.177 -11.177 -11.177
  790    HA   ALA 105           HA       ALA 105   6.688  -8.382  -8.382
  791   1HB   ALA 105           HB1      ALA 105   7.158  -9.925  -9.925
  792   2HB   ALA 105           HB3      ALA 105   8.861  -9.628  -9.628
  793   3HB   ALA 105           HB2      ALA 105   7.796  -8.282  -8.282
  794    H    ASP 106           HN       ASP 106   9.569 -10.345 -10.345
  795    HA   ASP 106           HA       ASP 106  11.448  -8.271  -8.271
  796   1HB   ASP 106           HB1      ASP 106  12.454 -10.077 -10.077
  797   2HB   ASP 106           HB2      ASP 106  11.028 -11.045 -11.045
  798    H    ASP 107           HN       ASP 107   8.992  -9.718  -9.718
  799    HA   ASP 107           HA       ASP 107   9.765  -8.375  -8.375
  800   1HB   ASP 107           HB2      ASP 107   7.310  -9.697  -9.697
  801   2HB   ASP 107           HB1      ASP 107   7.172  -8.784  -8.784
  802    H    ILE 108           HN       ILE 108   7.855  -7.405  -7.405
  803    HA   ILE 108           HA       ILE 108   6.637  -5.056  -5.056
  804    HB   ILE 108           HB       ILE 108   7.362  -5.771  -5.771
  805   1HG1  ILE 108          HG12      ILE 108   5.986  -7.489  -7.489
  806   2HG1  ILE 108          HG11      ILE 108   5.098  -6.696  -6.696
  807   1HG2  ILE 108          HG22      ILE 108   5.445  -3.757  -3.757
  808   2HG2  ILE 108          HG21      ILE 108   5.359  -4.283  -4.283
  809   3HG2  ILE 108          HG23      ILE 108   6.794  -3.443  -3.443
  810   1HD1  ILE 108          HD12      ILE 108   4.772  -5.193  -5.193
  811   2HD1  ILE 108          HD11      ILE 108   4.352  -6.882  -6.882
  812   3HD1  ILE 108          HD13      ILE 108   3.537  -5.975  -5.975
  813    H    VAL 109           HN       VAL 109   9.493  -5.479  -5.479
  814    HA   VAL 109           HA       VAL 109  10.288  -2.714  -2.714
  815    HB   VAL 109           HB       VAL 109  11.781  -5.307  -5.307
  816   1HG1  VAL 109          HG23      VAL 109  12.825  -2.706  -2.706
  817   2HG1  VAL 109          HG22      VAL 109  12.798  -2.988  -2.988
  818   3HG1  VAL 109          HG21      VAL 109  13.657  -4.106  -4.106
  819   1HG2  VAL 109          HG12      VAL 109   9.878  -3.682  -3.682
  820   2HG2  VAL 109          HG11      VAL 109  10.454  -5.319  -5.319
  821   3HG2  VAL 109          HG13      VAL 109  11.391  -3.930  -3.930
  822    H    ASN 110           HN       ASN 110  11.283  -5.544  -5.544
  823    HA   ASN 110           HA       ASN 110  13.398  -4.430  -4.430
  824   1HB   ASN 110           HB1      ASN 110  11.332  -6.532  -6.532
  825   2HB   ASN 110           HB2      ASN 110  12.158  -6.015  -6.015
  826   1HD2  ASN 110          HD22      ASN 110  14.080  -8.450  -8.450
  827   2HD2  ASN 110          HD21      ASN 110  12.413  -8.137  -8.137
  828    H    TRP 111           HN       TRP 111   9.934  -4.408  -4.408
  829    HA   TRP 111           HA       TRP 111  10.179  -2.821  -2.821
  830   1HB   TRP 111           HB1      TRP 111   8.213  -4.183  -4.183
  831   2HB   TRP 111           HB2      TRP 111   7.893  -2.888  -2.888
  832    HD1  TRP 111           HD1      TRP 111   8.092  -3.498  -3.498
  833    HE1  TRP 111           HE1      TRP 111   6.627  -1.736  -1.736
  834    HE3  TRP 111           HE3      TRP 111   6.738  -0.646  -0.646
  835    HZ2  TRP 111           HZ2      TRP 111   5.084   0.577   0.577
  836    HZ3  TRP 111           HZ3      TRP 111   5.270   1.329   1.329
  837    HH2  TRP 111           HH2      TRP 111   4.443   1.943   1.943
  838    H    LEU 112           HN       LEU 112   9.688  -1.913  -1.913
  839    HA   LEU 112           HA       LEU 112   9.373   0.914   0.914
  840   1HB   LEU 112           HB2      LEU 112  10.169  -0.848  -0.848
  841   2HB   LEU 112           HB1      LEU 112  10.058   0.904   0.904
  842    HG   LEU 112           HG       LEU 112   7.809  -0.844  -0.844
  843   1HD1  LEU 112          HD11      LEU 112   8.762  -0.504  -0.504
  844   2HD1  LEU 112          HD13      LEU 112   7.244   0.384   0.384
  845   3HD1  LEU 112          HD12      LEU 112   7.300  -1.335  -1.335
  846   1HD2  LEU 112          HD22      LEU 112   8.267   2.054   2.054
  847   2HD2  LEU 112          HD21      LEU 112   7.133   1.204   1.204
  848   3HD2  LEU 112          HD23      LEU 112   6.729   1.482   1.482
  849    H    LYS 113           HN       LYS 113  12.195  -1.153  -1.153
  850    HA   LYS 113           HA       LYS 113  14.001   1.207   1.207
  851   1HB   LYS 113           HB2      LYS 113  13.956  -1.465  -1.465
  852   2HB   LYS 113           HB1      LYS 113  15.471  -1.154  -1.154
  853   1HG   LYS 113           HG2      LYS 113  16.057   0.599   0.599
  854   2HG   LYS 113           HG1      LYS 113  14.381   0.988   0.988
  855   1HD   LYS 113           HD2      LYS 113  14.206  -1.043  -1.043
  856   2HD   LYS 113           HD1      LYS 113  15.868  -1.473  -1.473
  857   1HE   LYS 113           HE2      LYS 113  15.252   1.204   1.204
  858   2HE   LYS 113           HE1      LYS 113  15.475  -0.242  -0.242
  859   1HZ   LYS 113           HZ1      LYS 113  17.534  -0.650  -0.650
  860   2HZ   LYS 113           HZ3      LYS 113  17.375   0.947   0.947
  861   3HZ   LYS 113           HZ2      LYS 113  17.620   0.640   0.640
  862    H    LYS 114           HN       LYS 114  12.495  -0.168  -0.168
  863    HA   LYS 114           HA       LYS 114  14.579  -1.373  -1.373
  864   1HB   LYS 114           HB2      LYS 114  12.027  -1.706  -1.706
  865   2HB   LYS 114           HB1      LYS 114  11.954  -0.164  -0.164
  866   1HG   LYS 114           HG2      LYS 114  12.934  -1.011  -1.011
  867   2HG   LYS 114           HG1      LYS 114  13.899  -2.186  -2.186
  868   1HD   LYS 114           HD2      LYS 114  11.128  -2.810  -2.810
  869   2HD   LYS 114           HD1      LYS 114  11.424  -2.622  -2.622
  870   1HE   LYS 114           HE2      LYS 114  11.942  -4.904  -4.904
  871   2HE   LYS 114           HE1      LYS 114  13.532  -4.113  -4.113
  872   1HZ   LYS 114           HZ3      LYS 114  13.223  -3.798  -3.798
  873   2HZ   LYS 114           HZ2      LYS 114  11.808  -4.733  -4.733
  874   3HZ   LYS 114           HZ1      LYS 114  13.312  -5.431  -5.431
  875    H    ARG 115           HN       ARG 115  13.117   1.854   1.854
  876    HA   ARG 115           HA       ARG 115  15.414   2.975   2.975
  877   1HB   ARG 115           HB2      ARG 115  12.578   2.773   2.773
  878   2HB   ARG 115           HB1      ARG 115  13.360   4.327   4.327
  879   1HG   ARG 115           HG2      ARG 115  15.173   2.208   2.208
  880   2HG   ARG 115           HG1      ARG 115  13.630   1.952   1.952
  881   1HD   ARG 115           HD2      ARG 115  13.954   3.735   3.735
  882   2HD   ARG 115           HD1      ARG 115  14.499   4.764   4.764
  883    HE   ARG 115           HE       ARG 115  16.601   3.037   3.037
  884   1HH1  ARG 115          HH21      ARG 115  16.569   2.263   2.263
  885   2HH1  ARG 115          HH22      ARG 115  17.087   3.616   3.616
  886   1HH2  ARG 115          HH11      ARG 115  16.500   5.935   5.935
  887   2HH2  ARG 115          HH12      ARG 115  17.048   5.696   5.696
  888    H    THR 116           HN       THR 116  14.487   3.102   3.102
  889    HA   THR 116           HA       THR 116  13.580   5.925   5.925
  890    HB   THR 116           HB       THR 116  13.750   3.525   3.525
  891    HG1  THR 116           HG1      THR 116  11.532   3.647   3.647
  892   1HG2  THR 116          HG22      THR 116  14.233   5.626   5.626
  893   2HG2  THR 116          HG21      THR 116  12.716   6.298   6.298
  894   3HG2  THR 116          HG23      THR 116  12.700   4.905   4.905
  895    H    GLY 117           HN       GLY 117  15.778   3.851   3.851
  896   1HA   GLY 117           HA2      GLY 117  17.375   5.938   5.938
  897   2HA   GLY 117           HA1      GLY 117  17.934   4.275   4.275
  898    HA   PRO 118           HA       PRO 118  19.913   7.208   7.208
  899   1HB   PRO 118           HB1      PRO 118  22.354   7.576   7.576
  900   2HB   PRO 118           HB2      PRO 118  20.980   8.665   8.665
  901   1HG   PRO 118           HG2      PRO 118  22.043   6.488   6.488
  902   2HG   PRO 118           HG1      PRO 118  21.379   8.065   8.065
  903   1HD   PRO 118           HD2      PRO 118  19.987   5.718   5.718
  904   2HD   PRO 118           HD1      PRO 118  19.224   7.309   7.309
  905    H    ALA 119           HN       ALA 119  20.950   4.435   4.435
  906    HA   ALA 119           HA       ALA 119  21.916   3.090   3.090
  907   1HB   ALA 119           HB3      ALA 119  23.697   4.730   4.730
  908   2HB   ALA 119           HB2      ALA 119  23.947   3.311   3.311
  909   3HB   ALA 119           HB1      ALA 119  24.184   3.199   3.199
  910    H    ALA 120           HN       ALA 120  21.989   3.046   3.046
  911    HA   ALA 120           HA       ALA 120  20.669   0.423   0.423
  912   1HB   ALA 120           HB1      ALA 120  23.566   0.813   0.813
  913   2HB   ALA 120           HB3      ALA 120  22.625  -0.636  -0.636
  914   3HB   ALA 120           HB2      ALA 120  22.973  -0.198  -0.198

  Start of MODEL   24
    1   1H    ASP   1           HT2      ASP   1 -10.293   9.282   9.282
    2   2H    ASP   1           HT1      ASP   1 -10.301  10.971  10.971
    3   3H    ASP   1           HT3      ASP   1  -9.069  10.052  10.052
    4    HA   ASP   1           HA       ASP   1  -8.086  10.983  10.983
    5   1HB   ASP   1           HB1      ASP   1 -10.583  11.423  11.423
    6   2HB   ASP   1           HB2      ASP   1 -10.351   9.937   9.937
    7    H    ALA   2           HN       ALA   2  -6.601   9.726   9.726
    8    HA   ALA   2           HA       ALA   2  -5.463   7.750   7.750
    9   1HB   ALA   2           HB2      ALA   2  -8.150   7.797   7.797
   10   2HB   ALA   2           HB1      ALA   2  -7.715   6.128   6.128
   11   3HB   ALA   2           HB3      ALA   2  -6.716   7.076   7.076
   12    HA   PRO   3           HA       PRO   3  -6.364   5.647   5.647
   13   1HB   PRO   3           HB1      PRO   3  -3.752   5.379   5.379
   14   2HB   PRO   3           HB2      PRO   3  -4.701   6.845   6.845
   15   1HG   PRO   3           HG2      PRO   3  -2.631   6.312   6.312
   16   2HG   PRO   3           HG1      PRO   3  -3.020   7.814   7.814
   17   1HD   PRO   3           HD1      PRO   3  -3.777   7.210   7.210
   18   2HD   PRO   3           HD2      PRO   3  -4.538   8.439   8.439
   19    H    GLU   4           HN       GLU   4  -6.196   3.398   3.398
   20    HA   GLU   4           HA       GLU   4  -5.097   1.765   1.765
   21   1HB   GLU   4           HB1      GLU   4  -7.492   1.681   1.681
   22   2HB   GLU   4           HB2      GLU   4  -6.736   0.821   0.821
   23   1HG   GLU   4           HG1      GLU   4  -7.218  -0.069  -0.069
   24   2HG   GLU   4           HG2      GLU   4  -7.158  -1.013  -1.013
   25    H    GLU   5           HN       GLU   5  -4.012  -0.344  -0.344
   26    HA   GLU   5           HA       GLU   5  -2.664  -0.228  -0.228
   27   1HB   GLU   5           HB2      GLU   5  -0.437  -0.457  -0.457
   28   2HB   GLU   5           HB1      GLU   5  -1.209   1.115   1.115
   29   1HG   GLU   5           HG2      GLU   5  -2.197   0.300   0.300
   30   2HG   GLU   5           HG1      GLU   5  -1.167  -1.123  -1.123
   31    H    GLU   6           HN       GLU   6  -1.034  -2.179  -2.179
   32    HA   GLU   6           HA       GLU   6  -2.338  -4.539  -4.539
   33   1HB   GLU   6           HB1      GLU   6  -1.670  -3.876  -3.876
   34   2HB   GLU   6           HB2      GLU   6  -1.390  -5.542  -5.542
   35   1HG   GLU   6           HG2      GLU   6  -3.982  -4.240  -4.240
   36   2HG   GLU   6           HG1      GLU   6  -3.765  -4.789  -4.789
   37    H    ASP   7           HN       ASP   7   0.477  -4.472  -4.472
   38    HA   ASP   7           HA       ASP   7   2.257  -5.087  -5.087
   39   1HB   ASP   7           HB1      ASP   7   1.182  -6.979  -6.979
   40   2HB   ASP   7           HB2      ASP   7   2.707  -6.623  -6.623
   41    H    HIS   8           HN       HIS   8   3.675  -3.365  -3.365
   42    HA   HIS   8           HA       HIS   8   5.236  -1.841  -1.841
   43   1HB   HIS   8           HB1      HIS   8   5.516  -4.474  -4.474
   44   2HB   HIS   8           HB2      HIS   8   6.293  -3.129  -3.129
   45    HD1  HIS   8           HD1      HIS   8   7.664  -1.486  -1.486
   46    HD2  HIS   8           HD2      HIS   8   7.217  -5.546  -5.546
   47    HE1  HIS   8           HE1      HIS   8   9.422  -2.062  -2.062
   48    H    VAL   9           HN       VAL   9   2.376  -1.979  -1.979
   49    HA   VAL   9           HA       VAL   9   2.824  -0.152  -0.152
   50    HB   VAL   9           HB       VAL   9   1.450  -2.855  -2.855
   51   1HG1  VAL   9          HG12      VAL   9  -0.023  -1.131  -1.131
   52   2HG1  VAL   9          HG11      VAL   9   1.317  -0.636  -0.636
   53   3HG1  VAL   9          HG13      VAL   9   0.628  -2.251  -2.251
   54   1HG2  VAL   9          HG22      VAL   9   3.842  -1.557  -1.557
   55   2HG2  VAL   9          HG21      VAL   9   3.621  -3.221  -3.221
   56   3HG2  VAL   9          HG23      VAL   9   2.937  -2.693  -2.693
   57    H    LEU  10           HN       LEU  10   0.707   0.945   0.945
   58    HA   LEU  10           HA       LEU  10  -1.114   0.957   0.957
   59   1HB   LEU  10           HB1      LEU  10  -1.563   3.320   3.320
   60   2HB   LEU  10           HB2      LEU  10   0.057   3.030   3.030
   61    HG   LEU  10           HG       LEU  10  -0.239   2.474   2.474
   62   1HD1  LEU  10          HD21      LEU  10  -1.426   4.873   4.873
   63   2HD1  LEU  10          HD23      LEU  10  -0.011   5.294   5.294
   64   3HD1  LEU  10          HD22      LEU  10  -1.317   4.350   4.350
   65   1HD2  LEU  10          HD11      LEU  10   1.689   3.559   3.559
   66   2HD2  LEU  10          HD13      LEU  10   1.980   2.678   2.678
   67   3HD2  LEU  10          HD12      LEU  10   1.695   4.417   4.417
   68    H    VAL  11           HN       VAL  11  -3.324   1.927   1.927
   69    HA   VAL  11           HA       VAL  11  -4.242   0.594   0.594
   70    HB   VAL  11           HB       VAL  11  -5.624   0.985   0.985
   71   1HG1  VAL  11          HG11      VAL  11  -6.531  -0.371  -0.371
   72   2HG1  VAL  11          HG13      VAL  11  -7.370  -0.499  -0.499
   73   3HG1  VAL  11          HG12      VAL  11  -7.244   1.064   1.064
   74   1HG2  VAL  11          HG22      VAL  11  -3.709  -0.865  -0.865
   75   2HG2  VAL  11          HG21      VAL  11  -4.973  -1.127  -1.127
   76   3HG2  VAL  11          HG23      VAL  11  -5.184  -1.721  -1.721
   77    H    LEU  12           HN       LEU  12  -5.884   1.771   1.771
   78    HA   LEU  12           HA       LEU  12  -6.171   4.637   4.637
   79   1HB   LEU  12           HB1      LEU  12  -4.953   3.472   3.472
   80   2HB   LEU  12           HB2      LEU  12  -6.428   4.237   4.237
   81    HG   LEU  12           HG       LEU  12  -5.775   6.344   6.344
   82   1HD1  LEU  12          HD12      LEU  12  -4.081   4.642   4.642
   83   2HD1  LEU  12          HD11      LEU  12  -3.030   5.740   5.740
   84   3HD1  LEU  12          HD13      LEU  12  -4.281   6.385   6.385
   85   1HD2  LEU  12          HD21      LEU  12  -4.900   5.614   5.614
   86   2HD2  LEU  12          HD23      LEU  12  -4.055   6.945   6.945
   87   3HD2  LEU  12          HD22      LEU  12  -3.359   5.325   5.325
   88    H    ARG  13           HN       ARG  13  -7.895   5.565   5.565
   89    HA   ARG  13           HA       ARG  13 -10.166   3.997   3.997
   90   1HB   ARG  13           HB1      ARG  13 -11.668   4.436   4.436
   91   2HB   ARG  13           HB2      ARG  13 -10.192   3.767   3.767
   92   1HG   ARG  13           HG2      ARG  13  -9.415   6.142   6.142
   93   2HG   ARG  13           HG1      ARG  13 -11.033   6.671   6.671
   94   1HD   ARG  13           HD2      ARG  13 -10.557   4.618   4.618
   95   2HD   ARG  13           HD1      ARG  13 -10.676   6.357   6.357
   96    HE   ARG  13           HE       ARG  13 -12.868   5.609   5.609
   97   1HH1  ARG  13          HH21      ARG  13 -11.891   6.137   6.137
   98   2HH1  ARG  13          HH22      ARG  13 -13.315   5.469   5.469
   99   1HH2  ARG  13          HH11      ARG  13 -14.613   4.302   4.302
  100   2HH2  ARG  13          HH12      ARG  13 -14.856   4.429   4.429
  101    H    LYS  14           HN       LYS  14 -12.207   5.909   5.909
  102    HA   LYS  14           HA       LYS  14 -11.707   7.797   7.797
  103   1HB   LYS  14           HB1      LYS  14 -13.874   6.838   6.838
  104   2HB   LYS  14           HB2      LYS  14 -13.718   8.189   8.189
  105   1HG   LYS  14           HG1      LYS  14 -13.293   9.377   9.377
  106   2HG   LYS  14           HG2      LYS  14 -14.553   8.192   8.192
  107   1HD   LYS  14           HD2      LYS  14 -14.734  10.019  10.019
  108   2HD   LYS  14           HD1      LYS  14 -15.302  10.533  10.533
  109   1HE   LYS  14           HE2      LYS  14 -17.010   8.917   8.917
  110   2HE   LYS  14           HE1      LYS  14 -16.202   7.889   7.889
  111   1HZ   LYS  14           HZ3      LYS  14 -16.498   9.662   9.662
  112   2HZ   LYS  14           HZ2      LYS  14 -17.336  10.594  10.594
  113   3HZ   LYS  14           HZ1      LYS  14 -17.992   9.126   9.126
  114    H    SER  15           HN       SER  15 -11.799   8.329   8.329
  115    HA   SER  15           HA       SER  15 -11.005  11.133  11.133
  116   1HB   SER  15           HB2      SER  15 -11.635   9.243   9.243
  117   2HB   SER  15           HB1      SER  15 -10.995  10.855  10.855
  118    HG   SER  15           HG       SER  15 -12.906  11.595  11.595
  119    H    ASN  16           HN       ASN  16  -9.214   8.379   8.379
  120    HA   ASN  16           HA       ASN  16  -6.877   9.595   9.595
  121   1HB   ASN  16           HB2      ASN  16  -7.781   6.787   6.787
  122   2HB   ASN  16           HB1      ASN  16  -6.082   7.110   7.110
  123   1HD2  ASN  16          HD22      ASN  16  -7.866   6.452   6.452
  124   2HD2  ASN  16          HD21      ASN  16  -7.692   5.573   5.573
  125    H    PHE  17           HN       PHE  17  -7.989   8.006   8.006
  126    HA   PHE  17           HA       PHE  17  -5.635   7.724   7.724
  127   1HB   PHE  17           HB1      PHE  17  -8.024   7.127   7.127
  128   2HB   PHE  17           HB2      PHE  17  -8.269   8.816   8.816
  129    HD1  PHE  17           HD2      PHE  17  -6.624   9.847   9.847
  130    HD2  PHE  17           HD1      PHE  17  -7.105   5.623   5.623
  131    HE1  PHE  17           HE2      PHE  17  -5.612   9.418   9.418
  132    HE2  PHE  17           HE1      PHE  17  -6.094   5.192   5.192
  133    HZ   PHE  17           HZ       PHE  17  -5.346   7.087   7.087
  134    H    ALA  18           HN       ALA  18  -7.769  10.578  10.578
  135    HA   ALA  18           HA       ALA  18  -5.969  12.222  12.222
  136   1HB   ALA  18           HB2      ALA  18  -8.125  12.861  12.861
  137   2HB   ALA  18           HB1      ALA  18  -7.400  14.062  14.062
  138   3HB   ALA  18           HB3      ALA  18  -8.329  12.724  12.724
  139    H    GLU  19           HN       GLU  19  -6.012  11.386  11.386
  140    HA   GLU  19           HA       GLU  19  -4.225  13.570  13.570
  141   1HB   GLU  19           HB2      GLU  19  -6.015  12.516  12.516
  142   2HB   GLU  19           HB1      GLU  19  -5.093  11.016  11.016
  143   1HG   GLU  19           HG2      GLU  19  -3.132  12.583  12.583
  144   2HG   GLU  19           HG1      GLU  19  -4.465  13.615  13.615
  145    H    ALA  20           HN       ALA  20  -3.936  10.001  10.001
  146    HA   ALA  20           HA       ALA  20  -1.157   9.837   9.837
  147   1HB   ALA  20           HB2      ALA  20  -3.274   8.134   8.134
  148   2HB   ALA  20           HB1      ALA  20  -2.311   7.864   7.864
  149   3HB   ALA  20           HB3      ALA  20  -1.595   7.614   7.614
  150    H    LEU  21           HN       LEU  21  -2.948  10.370  10.370
  151    HA   LEU  21           HA       LEU  21  -0.905   9.962   9.962
  152   1HB   LEU  21           HB2      LEU  21  -3.489  11.278  11.278
  153   2HB   LEU  21           HB1      LEU  21  -2.429  12.171  12.171
  154    HG   LEU  21           HG       LEU  21  -3.780  10.440  10.440
  155   1HD1  LEU  21          HD23      LEU  21  -0.803  10.465  10.465
  156   2HD1  LEU  21          HD22      LEU  21  -1.566   9.154   9.154
  157   3HD1  LEU  21          HD21      LEU  21  -1.897  10.832  10.832
  158   1HD2  LEU  21          HD11      LEU  21  -3.691   8.853   8.853
  159   2HD2  LEU  21          HD13      LEU  21  -3.496   8.120   8.120
  160   3HD2  LEU  21          HD12      LEU  21  -2.086   8.401   8.401
  161    H    ALA  22           HN       ALA  22  -1.741  12.889  12.889
  162    HA   ALA  22           HA       ALA  22   0.660  14.298  14.298
  163   1HB   ALA  22           HB1      ALA  22  -1.873  15.082  15.082
  164   2HB   ALA  22           HB3      ALA  22  -1.138  15.441  15.441
  165   3HB   ALA  22           HB2      ALA  22  -0.504  16.189  16.189
  166    H    ALA  23           HN       ALA  23  -0.407  12.521  12.521
  167    HA   ALA  23           HA       ALA  23   1.102  13.606  13.606
  168   1HB   ALA  23           HB1      ALA  23  -0.580  11.662  11.662
  169   2HB   ALA  23           HB3      ALA  23   0.787  10.652  10.652
  170   3HB   ALA  23           HB2      ALA  23   0.787  11.457  11.457
  171    H    HIS  24           HN       HIS  24   2.151  11.097  11.097
  172    HA   HIS  24           HA       HIS  24   4.981  11.934  11.934
  173   1HB   HIS  24           HB2      HIS  24   3.698   9.198   9.198
  174   2HB   HIS  24           HB1      HIS  24   5.434   9.400   9.400
  175    HD1  HIS  24           HD1      HIS  24   6.832  10.238  10.238
  176    HD2  HIS  24           HD2      HIS  24   2.775   9.791   9.791
  177    HE1  HIS  24           HE1      HIS  24   6.605  10.388  10.388
  178    H    LYS  25           HN       LYS  25   6.444  11.391  11.391
  179    HA   LYS  25           HA       LYS  25   5.285  11.949  11.949
  180   1HB   LYS  25           HB1      LYS  25   8.012  10.895  10.895
  181   2HB   LYS  25           HB2      LYS  25   7.628  11.630  11.630
  182   1HG   LYS  25           HG1      LYS  25   7.200  13.754  13.754
  183   2HG   LYS  25           HG2      LYS  25   7.161  13.063  13.063
  184   1HD   LYS  25           HD2      LYS  25   9.313  13.914  13.914
  185   2HD   LYS  25           HD1      LYS  25   9.634  12.308  12.308
  186   1HE   LYS  25           HE2      LYS  25   9.600  13.172  13.172
  187   2HE   LYS  25           HE1      LYS  25   9.120  14.777  14.777
  188   1HZ   LYS  25           HZ2      LYS  25  11.163  14.596  14.596
  189   2HZ   LYS  25           HZ1      LYS  25  11.665  13.340  13.340
  190   3HZ   LYS  25           HZ3      LYS  25  11.434  14.902  14.902
  191    H    TYR  26           HN       TYR  26   7.275   9.103   9.103
  192    HA   TYR  26           HA       TYR  26   5.985   7.480   7.480
  193   1HB   TYR  26           HB1      TYR  26   7.996   6.901   6.901
  194   2HB   TYR  26           HB2      TYR  26   7.570   5.766   5.766
  195    HD1  TYR  26           HD2      TYR  26   7.314   7.634   7.634
  196    HD2  TYR  26           HD1      TYR  26  10.233   7.442   7.442
  197    HE1  TYR  26           HE2      TYR  26   8.983   8.709   8.709
  198    HE2  TYR  26           HE1      TYR  26  11.905   8.518   8.518
  199    HH   TYR  26           HH       TYR  26  11.747  10.109  10.109
  200    H    LEU  27           HN       LEU  27   3.962   6.642   6.642
  201    HA   LEU  27           HA       LEU  27   3.531   5.414   5.414
  202   1HB   LEU  27           HB1      LEU  27   2.571   7.800   7.800
  203   2HB   LEU  27           HB2      LEU  27   1.383   6.948   6.948
  204    HG   LEU  27           HG       LEU  27   1.035   5.427   5.427
  205   1HD1  LEU  27          HD12      LEU  27   3.160   6.327   6.327
  206   2HD1  LEU  27          HD11      LEU  27   2.241   7.792   7.792
  207   3HD1  LEU  27          HD13      LEU  27   1.731   6.247   6.247
  208   1HD2  LEU  27          HD22      LEU  27   0.029   8.062   8.062
  209   2HD2  LEU  27          HD21      LEU  27  -0.840   6.673   6.673
  210   3HD2  LEU  27          HD23      LEU  27  -0.025   7.795   7.795
  211    H    LEU  28           HN       LEU  28   2.854   3.339   3.339
  212    HA   LEU  28           HA       LEU  28   1.744   2.479   2.479
  213   1HB   LEU  28           HB2      LEU  28   3.721   1.500   1.500
  214   2HB   LEU  28           HB1      LEU  28   2.347   0.458   0.458
  215    HG   LEU  28           HG       LEU  28   3.669  -0.472  -0.472
  216   1HD1  LEU  28          HD23      LEU  28   0.971  -0.251  -0.251
  217   2HD1  LEU  28          HD22      LEU  28   1.278   0.555   0.555
  218   3HD1  LEU  28          HD21      LEU  28   1.812  -1.107  -1.107
  219   1HD2  LEU  28          HD12      LEU  28   4.146   2.108   2.108
  220   2HD2  LEU  28          HD11      LEU  28   4.348   0.763   0.763
  221   3HD2  LEU  28          HD13      LEU  28   2.868   1.721   1.721
  222    H    VAL  29           HN       VAL  29  -0.240   1.275   1.275
  223    HA   VAL  29           HA       VAL  29  -1.777   1.001   1.001
  224    HB   VAL  29           HB       VAL  29  -2.223   3.274   3.274
  225   1HG1  VAL  29          HG11      VAL  29  -1.996   2.028   2.028
  226   2HG1  VAL  29          HG13      VAL  29  -3.534   2.883   2.883
  227   3HG1  VAL  29          HG12      VAL  29  -2.024   3.746   3.746
  228   1HG2  VAL  29          HG23      VAL  29  -4.425   1.286   1.286
  229   2HG2  VAL  29          HG22      VAL  29  -4.183   2.237   2.237
  230   3HG2  VAL  29          HG21      VAL  29  -4.695   3.031   3.031
  231    H    GLU  30           HN       GLU  30  -2.990  -0.872  -0.872
  232    HA   GLU  30           HA       GLU  30  -3.398  -2.105  -2.105
  233   1HB   GLU  30           HB1      GLU  30  -1.749  -3.159  -3.159
  234   2HB   GLU  30           HB2      GLU  30  -3.108  -3.476  -3.476
  235   1HG   GLU  30           HG1      GLU  30  -4.149  -4.932  -4.932
  236   2HG   GLU  30           HG2      GLU  30  -3.102  -4.386  -4.386
  237    H    PHE  31           HN       PHE  31  -5.492  -2.697  -2.697
  238    HA   PHE  31           HA       PHE  31  -7.603  -2.157  -2.157
  239   1HB   PHE  31           HB2      PHE  31  -7.506  -2.306  -2.306
  240   2HB   PHE  31           HB1      PHE  31  -9.013  -2.148  -2.148
  241    HD1  PHE  31           HD2      PHE  31  -5.607  -0.589  -0.589
  242    HD2  PHE  31           HD1      PHE  31  -9.814  -0.006  -0.006
  243    HE1  PHE  31           HE2      PHE  31  -5.238   1.855   1.855
  244    HE2  PHE  31           HE1      PHE  31  -9.445   2.440   2.440
  245    HZ   PHE  31           HZ       PHE  31  -7.161   3.371   3.371
  246    H    TYR  32           HN       TYR  32  -8.237  -4.038  -4.038
  247    HA   TYR  32           HA       TYR  32  -8.834  -6.409  -6.409
  248   1HB   TYR  32           HB2      TYR  32  -7.537  -7.851  -7.851
  249   2HB   TYR  32           HB1      TYR  32  -6.503  -6.495  -6.495
  250    HD1  TYR  32           HD1      TYR  32  -8.634  -7.916  -7.916
  251    HD2  TYR  32           HD2      TYR  32  -5.709  -4.942  -4.942
  252    HE1  TYR  32           HE1      TYR  32  -8.327  -7.393  -7.393
  253    HE2  TYR  32           HE2      TYR  32  -5.401  -4.421  -4.421
  254    HH   TYR  32           HH       TYR  32  -7.488  -5.195  -5.195
  255    H    ALA  33           HN       ALA  33 -10.125  -8.069  -8.069
  256    HA   ALA  33           HA       ALA  33 -11.898  -6.637  -6.637
  257   1HB   ALA  33           HB3      ALA  33 -12.862  -7.214  -7.214
  258   2HB   ALA  33           HB2      ALA  33 -12.523  -8.914  -8.914
  259   3HB   ALA  33           HB1      ALA  33 -13.686  -8.037  -8.037
  260    HA   PRO  34           HA       PRO  34 -10.973  -9.771  -9.771
  261   1HB   PRO  34           HB1      PRO  34 -13.407 -10.208 -10.208
  262   2HB   PRO  34           HB2      PRO  34 -12.432  -8.756  -8.756
  263   1HG   PRO  34           HG2      PRO  34 -14.772  -9.140  -9.140
  264   2HG   PRO  34           HG1      PRO  34 -14.381  -7.772  -7.772
  265   1HD   PRO  34           HD1      PRO  34 -13.936  -7.727  -7.727
  266   2HD   PRO  34           HD2      PRO  34 -12.919  -6.847  -6.847
  267    H    TRP  35           HN       TRP  35 -13.400 -10.317 -10.317
  268    HA   TRP  35           HA       TRP  35 -13.253 -13.269 -13.269
  269   1HB   TRP  35           HB1      TRP  35 -15.388 -13.302 -13.302
  270   2HB   TRP  35           HB2      TRP  35 -15.478 -12.191 -12.191
  271    HD1  TRP  35           HD1      TRP  35 -15.648  -9.621  -9.621
  272    HE1  TRP  35           HE1      TRP  35 -16.132  -8.278  -8.278
  273    HE3  TRP  35           HE3      TRP  35 -15.021 -13.293 -13.293
  274    HZ2  TRP  35           HZ2      TRP  35 -16.238  -8.709  -8.709
  275    HZ3  TRP  35           HZ3      TRP  35 -15.319 -12.801 -12.801
  276    HH2  TRP  35           HH2      TRP  35 -15.926 -10.515 -10.515
  277    H    CYS  36           HN       CYS  36 -11.633 -11.064 -11.064
  278    HA   CYS  36           HA       CYS  36 -11.817 -11.664 -11.664
  279   1HB   CYS  36           HB1      CYS  36 -10.341  -9.989  -9.989
  280   2HB   CYS  36           HB2      CYS  36  -9.368 -11.267 -11.267
  281    H    GLY  37           HN       GLY  37  -9.726 -13.388 -13.388
  282   1HA   GLY  37           HA1      GLY  37  -9.481 -15.793 -15.793
  283   2HA   GLY  37           HA2      GLY  37 -10.097 -15.867 -15.867
  284    H    HIS  38           HN       HIS  38  -8.557 -14.365 -14.365
  285    HA   HIS  38           HA       HIS  38  -5.886 -15.623 -15.623
  286   1HB   HIS  38           HB2      HIS  38  -7.237 -13.912 -13.912
  287   2HB   HIS  38           HB1      HIS  38  -5.675 -14.704 -14.704
  288    HD1  HIS  38           HD1      HIS  38  -5.670 -17.337 -17.337
  289    HD2  HIS  38           HD2      HIS  38  -9.470 -15.623 -15.623
  290    HE1  HIS  38           HE1      HIS  38  -7.289 -19.171 -19.171
  291    H    CYS  39           HN       CYS  39  -7.202 -12.817 -12.817
  292    HA   CYS  39           HA       CYS  39  -4.982 -11.004 -11.004
  293   1HB   CYS  39           HB2      CYS  39  -7.429 -10.913 -10.913
  294   2HB   CYS  39           HB1      CYS  39  -6.273  -9.584  -9.584
  295    H    LYS  40           HN       LYS  40  -5.841 -13.288 -13.288
  296    HA   LYS  40           HA       LYS  40  -4.118 -12.263 -12.263
  297   1HB   LYS  40           HB2      LYS  40  -4.579 -14.474 -14.474
  298   2HB   LYS  40           HB1      LYS  40  -6.055 -13.775 -13.775
  299   1HG   LYS  40           HG1      LYS  40  -6.159 -15.952 -15.952
  300   2HG   LYS  40           HG2      LYS  40  -5.378 -15.109 -15.109
  301   1HD   LYS  40           HD2      LYS  40  -3.605 -16.464 -16.464
  302   2HD   LYS  40           HD1      LYS  40  -3.339 -15.880 -15.880
  303   1HE   LYS  40           HE2      LYS  40  -5.553 -17.714 -17.714
  304   2HE   LYS  40           HE1      LYS  40  -4.186 -18.483 -18.483
  305   1HZ   LYS  40           HZ2      LYS  40  -3.925 -16.972 -16.972
  306   2HZ   LYS  40           HZ1      LYS  40  -4.110 -18.659 -18.659
  307   3HZ   LYS  40           HZ3      LYS  40  -2.743 -17.930 -17.930
  308    H    ALA  41           HN       ALA  41  -3.582 -14.140 -14.140
  309    HA   ALA  41           HA       ALA  41  -1.144 -15.463 -15.463
  310   1HB   ALA  41           HB2      ALA  41  -2.733 -15.979 -15.979
  311   2HB   ALA  41           HB1      ALA  41  -1.988 -14.624 -14.624
  312   3HB   ALA  41           HB3      ALA  41  -1.015 -16.023 -16.023
  313    H    LEU  42           HN       LEU  42  -1.883 -12.206 -12.206
  314    HA   LEU  42           HA       LEU  42   1.054 -11.629 -11.629
  315   1HB   LEU  42           HB2      LEU  42  -0.301 -11.420 -11.420
  316   2HB   LEU  42           HB1      LEU  42  -1.338 -10.249 -10.249
  317    HG   LEU  42           HG       LEU  42   0.800  -8.905  -8.905
  318   1HD1  LEU  42          HD11      LEU  42   1.985 -11.201 -11.201
  319   2HD1  LEU  42          HD13      LEU  42   2.110 -10.015 -10.015
  320   3HD1  LEU  42          HD12      LEU  42   2.786  -9.657  -9.657
  321   1HD2  LEU  42          HD21      LEU  42  -1.003  -8.660  -8.660
  322   2HD2  LEU  42          HD23      LEU  42   0.476  -7.699  -7.699
  323   3HD2  LEU  42          HD22      LEU  42   0.343  -9.151  -9.151
  324    H    ALA  43           HN       ALA  43  -1.967 -10.778 -10.778
  325    HA   ALA  43           HA       ALA  43  -1.547  -8.172  -8.172
  326   1HB   ALA  43           HB2      ALA  43  -3.047 -10.558 -10.558
  327   2HB   ALA  43           HB1      ALA  43  -2.629  -9.595  -9.595
  328   3HB   ALA  43           HB3      ALA  43  -3.533  -8.865  -8.865
  329    HA   PRO  44           HA       PRO  44   0.998  -9.769  -9.769
  330   1HB   PRO  44           HB1      PRO  44   1.733 -12.400 -12.400
  331   2HB   PRO  44           HB2      PRO  44   0.209 -11.797 -11.797
  332   1HG   PRO  44           HG2      PRO  44   0.726 -13.232 -13.232
  333   2HG   PRO  44           HG1      PRO  44  -0.667 -13.324 -13.324
  334   1HD   PRO  44           HD1      PRO  44  -0.608 -11.918 -11.918
  335   2HD   PRO  44           HD2      PRO  44  -1.734 -11.607 -11.607
  336    H    GLU  45           HN       GLU  45   1.701 -10.157 -10.157
  337    HA   GLU  45           HA       GLU  45   4.611 -10.632 -10.632
  338   1HB   GLU  45           HB2      GLU  45   2.786 -10.732 -10.732
  339   2HB   GLU  45           HB1      GLU  45   4.533 -10.937 -10.937
  340   1HG   GLU  45           HG2      GLU  45   3.153 -12.610 -12.610
  341   2HG   GLU  45           HG1      GLU  45   2.816 -13.007 -13.007
  342    H    TYR  46           HN       TYR  46   2.189  -8.460  -8.460
  343    HA   TYR  46           HA       TYR  46   4.101  -6.455  -6.455
  344   1HB   TYR  46           HB2      TYR  46   2.095  -6.594  -6.594
  345   2HB   TYR  46           HB1      TYR  46   1.126  -6.853  -6.853
  346    HD1  TYR  46           HD1      TYR  46   0.476  -4.988  -4.988
  347    HD2  TYR  46           HD2      TYR  46   2.725  -4.359  -4.359
  348    HE1  TYR  46           HE1      TYR  46  -0.069  -2.565  -2.565
  349    HE2  TYR  46           HE2      TYR  46   2.189  -1.945  -1.945
  350    HH   TYR  46           HH       TYR  46  -0.037  -0.605  -0.605
  351    H    ALA  47           HN       ALA  47   2.732  -7.353  -7.353
  352    HA   ALA  47           HA       ALA  47   2.921  -4.624  -4.624
  353   1HB   ALA  47           HB2      ALA  47   1.319  -6.850  -6.850
  354   2HB   ALA  47           HB1      ALA  47   2.411  -6.887  -6.887
  355   3HB   ALA  47           HB3      ALA  47   1.423  -5.458  -5.458
  356    H    LYS  48           HN       LYS  48   4.700  -7.669  -7.669
  357    HA   LYS  48           HA       LYS  48   6.410  -6.919  -6.919
  358   1HB   LYS  48           HB2      LYS  48   7.451  -9.058  -9.058
  359   2HB   LYS  48           HB1      LYS  48   5.707  -9.247  -9.247
  360   1HG   LYS  48           HG2      LYS  48   5.927  -8.905  -8.905
  361   2HG   LYS  48           HG1      LYS  48   7.679  -8.851  -8.851
  362   1HD   LYS  48           HD2      LYS  48   6.309 -11.176 -11.176
  363   2HD   LYS  48           HD1      LYS  48   6.329 -11.136 -11.136
  364   1HE   LYS  48           HE2      LYS  48   8.568 -11.559 -11.559
  365   2HE   LYS  48           HE1      LYS  48   8.918 -10.442 -10.442
  366   1HZ   LYS  48           HZ3      LYS  48   7.587 -13.072 -13.072
  367   2HZ   LYS  48           HZ2      LYS  48   9.254 -12.827 -12.827
  368   3HZ   LYS  48           HZ1      LYS  48   8.138 -12.032 -12.032
  369    H    ALA  49           HN       ALA  49   6.502  -6.605  -6.605
  370    HA   ALA  49           HA       ALA  49   9.285  -6.270  -6.270
  371   1HB   ALA  49           HB3      ALA  49   6.795  -5.897  -5.897
  372   2HB   ALA  49           HB2      ALA  49   7.789  -4.467  -4.467
  373   3HB   ALA  49           HB1      ALA  49   8.402  -6.064  -6.064
  374    H    ALA  50           HN       ALA  50   6.824  -3.767  -3.767
  375    HA   ALA  50           HA       ALA  50   8.570  -1.531  -1.531
  376   1HB   ALA  50           HB1      ALA  50   5.903  -1.992  -1.992
  377   2HB   ALA  50           HB3      ALA  50   6.265  -1.649  -1.649
  378   3HB   ALA  50           HB2      ALA  50   6.641  -0.455  -0.455
  379    H    GLY  51           HN       GLY  51   8.096  -4.116  -4.116
  380   1HA   GLY  51           HA2      GLY  51   9.202  -2.618  -2.618
  381   2HA   GLY  51           HA1      GLY  51   8.786  -4.332  -4.332
  382    H    LYS  52           HN       LYS  52  10.374  -4.738  -4.738
  383    HA   LYS  52           HA       LYS  52  12.807  -5.654  -5.654
  384   1HB   LYS  52           HB2      LYS  52  12.042  -4.723  -4.723
  385   2HB   LYS  52           HB1      LYS  52  13.519  -5.619  -5.619
  386   1HG   LYS  52           HG1      LYS  52  11.766  -7.235  -7.235
  387   2HG   LYS  52           HG2      LYS  52  10.687  -6.550  -6.550
  388   1HD   LYS  52           HD2      LYS  52  11.716  -7.648  -7.648
  389   2HD   LYS  52           HD1      LYS  52  13.325  -7.336  -7.336
  390   1HE   LYS  52           HE2      LYS  52  13.395  -9.341  -9.341
  391   2HE   LYS  52           HE1      LYS  52  11.695  -9.229  -9.229
  392   1HZ   LYS  52           HZ1      LYS  52  12.495  -9.661  -9.661
  393   2HZ   LYS  52           HZ3      LYS  52  12.225 -10.953 -10.953
  394   3HZ   LYS  52           HZ2      LYS  52  10.962  -9.877  -9.877
  395    H    LEU  53           HN       LEU  53  12.174  -2.567  -2.567
  396    HA   LEU  53           HA       LEU  53  14.880  -1.579  -1.579
  397   1HB   LEU  53           HB1      LEU  53  13.828   0.546   0.546
  398   2HB   LEU  53           HB2      LEU  53  13.521  -0.850  -0.850
  399    HG   LEU  53           HG       LEU  53  11.471  -0.687  -0.687
  400   1HD1  LEU  53          HD21      LEU  53  12.371   1.811   1.811
  401   2HD1  LEU  53          HD23      LEU  53  11.332   1.699   1.699
  402   3HD1  LEU  53          HD22      LEU  53  10.653   1.461   1.461
  403   1HD2  LEU  53          HD12      LEU  53  11.759  -0.794  -0.794
  404   2HD2  LEU  53          HD11      LEU  53  10.763  -1.780  -1.780
  405   3HD2  LEU  53          HD13      LEU  53  10.231  -0.162  -0.162
  406    H    LYS  54           HN       LYS  54  11.885  -1.448  -1.448
  407    HA   LYS  54           HA       LYS  54  11.376  -0.394  -0.394
  408   1HB   LYS  54           HB2      LYS  54  13.154  -2.124  -2.124
  409   2HB   LYS  54           HB1      LYS  54  14.356  -0.838  -0.838
  410   1HG   LYS  54           HG2      LYS  54  13.668   0.187   0.187
  411   2HG   LYS  54           HG1      LYS  54  12.013  -0.404  -0.404
  412   1HD   LYS  54           HD2      LYS  54  13.639  -2.703  -2.703
  413   2HD   LYS  54           HD1      LYS  54  14.227  -1.571  -1.571
  414   1HE   LYS  54           HE2      LYS  54  11.273  -2.155  -2.155
  415   2HE   LYS  54           HE1      LYS  54  12.309  -3.100  -3.100
  416   1HZ   LYS  54           HZ1      LYS  54  12.341  -0.147  -0.147
  417   2HZ   LYS  54           HZ3      LYS  54  11.192  -1.011  -1.011
  418   3HZ   LYS  54           HZ2      LYS  54  12.848  -1.232  -1.232
  419    H    ALA  55           HN       ALA  55  12.010   1.413   1.413
  420    HA   ALA  55           HA       ALA  55  12.422   3.716   3.716
  421   1HB   ALA  55           HB1      ALA  55  11.264   3.593   3.593
  422   2HB   ALA  55           HB3      ALA  55  12.882   3.877   3.877
  423   3HB   ALA  55           HB2      ALA  55  12.133   5.068   5.068
  424    H    GLU  56           HN       GLU  56  14.621   1.600   1.600
  425    HA   GLU  56           HA       GLU  56  16.899   3.451   3.451
  426   1HB   GLU  56           HB2      GLU  56  16.839   0.417   0.417
  427   2HB   GLU  56           HB1      GLU  56  18.124   1.432   1.432
  428   1HG   GLU  56           HG2      GLU  56  16.264   2.381   2.381
  429   2HG   GLU  56           HG1      GLU  56  15.374   0.924   0.924
  430    H    GLY  57           HN       GLY  57  15.636   1.028   1.028
  431   1HA   GLY  57           HA2      GLY  57  17.850   1.420   1.420
  432   2HA   GLY  57           HA1      GLY  57  16.448   0.374   0.374
  433    H    SER  58           HN       SER  58  14.639   2.627   2.627
  434    HA   SER  58           HA       SER  58  14.991   4.766   4.766
  435   1HB   SER  58           HB2      SER  58  14.073   2.343   2.343
  436   2HB   SER  58           HB1      SER  58  12.572   3.206   3.206
  437    HG   SER  58           HG       SER  58  13.383   4.937   4.937
  438    H    GLU  59           HN       GLU  59  12.782   6.008   6.008
  439    HA   GLU  59           HA       GLU  59  11.577   6.002   6.002
  440   1HB   GLU  59           HB1      GLU  59  11.194   8.396   8.396
  441   2HB   GLU  59           HB2      GLU  59  12.891   7.996   7.996
  442   1HG   GLU  59           HG2      GLU  59  12.728   8.794   8.794
  443   2HG   GLU  59           HG1      GLU  59  11.552   7.531   7.531
  444    H    ILE  60           HN       ILE  60  10.925   4.979   4.979
  445    HA   ILE  60           HA       ILE  60   8.387   5.943   5.943
  446    HB   ILE  60           HB       ILE  60   8.252   3.778   3.778
  447   1HG1  ILE  60          HG12      ILE  60  10.594   3.068   3.068
  448   2HG1  ILE  60          HG11      ILE  60   8.998   2.321   2.321
  449   1HG2  ILE  60          HG21      ILE  60  10.450   5.635   5.635
  450   2HG2  ILE  60          HG23      ILE  60  11.034   4.025   4.025
  451   3HG2  ILE  60          HG22      ILE  60   9.718   4.751   4.751
  452   1HD1  ILE  60          HD11      ILE  60  10.104   2.264   2.264
  453   2HD1  ILE  60          HD13      ILE  60  11.215   1.515   1.515
  454   3HD1  ILE  60          HD12      ILE  60   9.560   0.922   0.922
  455    H    ARG  61           HN       ARG  61   6.302   4.609   4.609
  456    HA   ARG  61           HA       ARG  61   6.074   3.143   3.143
  457   1HB   ARG  61           HB2      ARG  61   5.193   5.840   5.840
  458   2HB   ARG  61           HB1      ARG  61   3.829   4.822   4.822
  459   1HG   ARG  61           HG2      ARG  61   4.461   4.917   4.917
  460   2HG   ARG  61           HG1      ARG  61   6.044   4.262   4.262
  461   1HD   ARG  61           HD2      ARG  61   6.272   6.856   6.856
  462   2HD   ARG  61           HD1      ARG  61   5.273   7.050   7.050
  463    HE   ARG  61           HE       ARG  61   7.791   5.434   5.434
  464   1HH1  ARG  61          HH21      ARG  61   5.787   5.904   5.904
  465   2HH1  ARG  61          HH22      ARG  61   6.660   7.079   7.079
  466   1HH2  ARG  61          HH11      ARG  61   8.891   7.818   7.818
  467   2HH2  ARG  61          HH12      ARG  61   8.418   8.164   8.164
  468    H    LEU  62           HN       LEU  62   4.362   1.636   1.636
  469    HA   LEU  62           HA       LEU  62   2.960   1.239   1.239
  470   1HB   LEU  62           HB1      LEU  62   4.110  -0.549  -0.549
  471   2HB   LEU  62           HB2      LEU  62   2.781  -1.152  -1.152
  472    HG   LEU  62           HG       LEU  62   4.186  -0.322  -0.322
  473   1HD1  LEU  62          HD12      LEU  62   5.851   0.487   0.487
  474   2HD1  LEU  62          HD11      LEU  62   6.679  -0.848  -0.848
  475   3HD1  LEU  62          HD13      LEU  62   6.206   0.578   0.578
  476   1HD2  LEU  62          HD21      LEU  62   4.738  -2.706  -2.706
  477   2HD2  LEU  62          HD23      LEU  62   3.970  -2.642  -2.642
  478   3HD2  LEU  62          HD22      LEU  62   5.717  -2.441  -2.441
  479    H    ALA  63           HN       ALA  63   0.695   0.480   0.480
  480    HA   ALA  63           HA       ALA  63  -0.592   0.845   0.845
  481   1HB   ALA  63           HB1      ALA  63  -0.362   2.962   2.962
  482   2HB   ALA  63           HB3      ALA  63  -1.794   2.245   2.245
  483   3HB   ALA  63           HB2      ALA  63  -1.813   2.701   2.701
  484    H    LYS  64           HN       LYS  64  -3.024   0.325   0.325
  485    HA   LYS  64           HA       LYS  64  -3.630  -1.574  -1.574
  486   1HB   LYS  64           HB1      LYS  64  -3.025  -2.160  -2.160
  487   2HB   LYS  64           HB2      LYS  64  -4.534  -2.880  -2.880
  488   1HG   LYS  64           HG2      LYS  64  -3.465  -4.146  -4.146
  489   2HG   LYS  64           HG1      LYS  64  -2.046  -3.097  -3.097
  490   1HD   LYS  64           HD2      LYS  64  -1.060  -4.587  -4.587
  491   2HD   LYS  64           HD1      LYS  64  -2.175  -4.036  -4.036
  492   1HE   LYS  64           HE1      LYS  64  -3.332  -5.992  -5.992
  493   2HE   LYS  64           HE2      LYS  64  -2.049  -6.627  -6.627
  494   1HZ   LYS  64           HZ3      LYS  64  -4.305  -4.954  -4.954
  495   2HZ   LYS  64           HZ2      LYS  64  -4.316  -6.653  -6.653
  496   3HZ   LYS  64           HZ1      LYS  64  -3.163  -5.783  -5.783
  497    H    VAL  65           HN       VAL  65  -5.949  -1.920  -1.920
  498    HA   VAL  65           HA       VAL  65  -7.667  -0.111  -0.111
  499    HB   VAL  65           HB       VAL  65  -7.608  -0.475  -0.475
  500   1HG1  VAL  65          HG13      VAL  65  -9.551   0.905   0.905
  501   2HG1  VAL  65          HG12      VAL  65  -9.342   1.451   1.451
  502   3HG1  VAL  65          HG11      VAL  65  -9.898  -0.190  -0.190
  503   1HG2  VAL  65          HG21      VAL  65  -6.988   1.874   1.874
  504   2HG2  VAL  65          HG23      VAL  65  -5.838   0.988   0.988
  505   3HG2  VAL  65          HG22      VAL  65  -7.091   1.973   1.973
  506    H    ASP  66           HN       ASP  66  -9.977  -0.739  -0.739
  507    HA   ASP  66           HA       ASP  66 -10.306  -3.680  -3.680
  508   1HB   ASP  66           HB2      ASP  66 -11.045  -1.768  -1.768
  509   2HB   ASP  66           HB1      ASP  66 -12.362  -2.839  -2.839
  510    H    ALA  67           HN       ALA  67 -11.091  -3.636  -3.636
  511    HA   ALA  67           HA       ALA  67 -12.781  -1.823  -1.823
  512   1HB   ALA  67           HB3      ALA  67 -11.652  -4.186  -4.186
  513   2HB   ALA  67           HB2      ALA  67 -13.310  -4.738  -4.738
  514   3HB   ALA  67           HB1      ALA  67 -12.961  -3.507  -3.507
  515    H    THR  68           HN       THR  68 -13.601  -4.140  -4.140
  516    HA   THR  68           HA       THR  68 -16.513  -3.649  -3.649
  517    HB   THR  68           HB       THR  68 -16.680  -5.483  -5.483
  518    HG1  THR  68           HG1      THR  68 -15.042  -5.907  -5.907
  519   1HG2  THR  68          HG21      THR  68 -16.024  -5.752  -5.752
  520   2HG2  THR  68          HG23      THR  68 -14.536  -6.398  -6.398
  521   3HG2  THR  68          HG22      THR  68 -16.085  -7.151  -7.151
  522    H    GLU  69           HN       GLU  69 -14.566  -1.566  -1.566
  523    HA   GLU  69           HA       GLU  69 -16.018  -0.939  -0.939
  524   1HB   GLU  69           HB1      GLU  69 -13.804  -2.083  -2.083
  525   2HB   GLU  69           HB2      GLU  69 -13.010  -0.749  -0.749
  526   1HG   GLU  69           HG2      GLU  69 -14.705   0.523   0.523
  527   2HG   GLU  69           HG1      GLU  69 -14.088  -0.856  -0.856
  528    H    GLU  70           HN       GLU  70 -13.522   0.199   0.199
  529    HA   GLU  70           HA       GLU  70 -14.320   2.996   2.996
  530   1HB   GLU  70           HB2      GLU  70 -12.065   2.774   2.774
  531   2HB   GLU  70           HB1      GLU  70 -12.317   1.299   1.299
  532   1HG   GLU  70           HG1      GLU  70 -12.974   2.485   2.485
  533   2HG   GLU  70           HG2      GLU  70 -13.221   3.987   3.987
  534    H    SER  71           HN       SER  71 -14.139   0.982   0.982
  535    HA   SER  71           HA       SER  71 -15.555   0.849   0.849
  536   1HB   SER  71           HB2      SER  71 -16.934   0.353   0.353
  537   2HB   SER  71           HB1      SER  71 -17.948   1.548   1.548
  538    HG   SER  71           HG       SER  71 -16.903  -0.768  -0.768
  539    H    ASP  72           HN       ASP  72 -14.684   3.649   3.649
  540    HA   ASP  72           HA       ASP  72 -16.723   5.250   5.250
  541   1HB   ASP  72           HB2      ASP  72 -15.130   5.613   5.613
  542   2HB   ASP  72           HB1      ASP  72 -15.298   7.045   7.045
  543    H    LEU  73           HN       LEU  73 -13.307   4.559   4.559
  544    HA   LEU  73           HA       LEU  73 -12.590   6.322   6.322
  545   1HB   LEU  73           HB2      LEU  73 -11.177   5.183   5.183
  546   2HB   LEU  73           HB1      LEU  73 -10.239   5.715   5.715
  547    HG   LEU  73           HG       LEU  73 -11.476   7.923   7.923
  548   1HD1  LEU  73          HD11      LEU  73 -12.471   6.585   6.585
  549   2HD1  LEU  73          HD13      LEU  73 -12.421   8.341   8.341
  550   3HD1  LEU  73          HD12      LEU  73 -13.414   7.385   7.385
  551   1HD2  LEU  73          HD23      LEU  73  -9.401   6.859   6.859
  552   2HD2  LEU  73          HD22      LEU  73  -9.497   8.435   8.435
  553   3HD2  LEU  73          HD21      LEU  73 -10.280   8.177   8.177
  554    H    ALA  74           HN       ALA  74 -12.997   3.006   3.006
  555    HA   ALA  74           HA       ALA  74 -11.089   1.858   1.858
  556   1HB   ALA  74           HB3      ALA  74 -13.369   0.941   0.941
  557   2HB   ALA  74           HB2      ALA  74 -12.714  -0.163  -0.163
  558   3HB   ALA  74           HB1      ALA  74 -11.672   0.470   0.470
  559    H    GLN  75           HN       GLN  75 -14.679   1.900   1.900
  560    HA   GLN  75           HA       GLN  75 -15.026   1.044   1.044
  561   1HB   GLN  75           HB2      GLN  75 -16.632   2.602   2.602
  562   2HB   GLN  75           HB1      GLN  75 -17.272   2.339   2.339
  563   1HG   GLN  75           HG1      GLN  75 -16.364  -0.173  -0.173
  564   2HG   GLN  75           HG2      GLN  75 -16.983   0.443   0.443
  565   1HE2  GLN  75          HE22      GLN  75 -20.164  -0.634  -0.634
  566   2HE2  GLN  75          HE21      GLN  75 -18.918  -0.875  -0.875
  567    H    GLN  76           HN       GLN  76 -14.221   4.153   4.153
  568    HA   GLN  76           HA       GLN  76 -14.941   5.805   5.805
  569   1HB   GLN  76           HB2      GLN  76 -14.242   6.218   6.218
  570   2HB   GLN  76           HB1      GLN  76 -12.670   6.487   6.487
  571   1HG   GLN  76           HG2      GLN  76 -15.054   7.795   7.795
  572   2HG   GLN  76           HG1      GLN  76 -14.433   8.471   8.471
  573   1HE2  GLN  76          HE22      GLN  76 -12.037  10.247  10.247
  574   2HE2  GLN  76          HE21      GLN  76 -13.267  10.299  10.299
  575    H    TYR  77           HN       TYR  77 -12.007   4.057   4.057
  576    HA   TYR  77           HA       TYR  77 -10.430   5.124   5.124
  577   1HB   TYR  77           HB1      TYR  77 -10.119   3.361   3.361
  578   2HB   TYR  77           HB2      TYR  77  -9.075   2.967   2.967
  579    HD1  TYR  77           HD1      TYR  77 -10.293   5.984   5.984
  580    HD2  TYR  77           HD2      TYR  77  -7.024   4.071   4.071
  581    HE1  TYR  77           HE1      TYR  77  -8.814   7.887   7.887
  582    HE2  TYR  77           HE2      TYR  77  -5.548   5.976   5.976
  583    HH   TYR  77           HH       TYR  77  -5.565   7.784   7.784
  584    H    GLY  78           HN       GLY  78 -11.904   1.984   1.984
  585   1HA   GLY  78           HA1      GLY  78 -13.072   0.896   0.896
  586   2HA   GLY  78           HA2      GLY  78 -11.544   1.157   1.157
  587    H    VAL  79           HN       VAL  79 -12.241   0.030   0.030
  588    HA   VAL  79           HA       VAL  79 -10.253  -2.118  -2.118
  589    HB   VAL  79           HB       VAL  79 -12.094  -1.290  -1.290
  590   1HG1  VAL  79          HG12      VAL  79 -10.460  -3.581  -3.581
  591   2HG1  VAL  79          HG11      VAL  79  -9.608  -2.512  -2.512
  592   3HG1  VAL  79          HG13      VAL  79 -11.254  -3.030  -3.030
  593   1HG2  VAL  79          HG21      VAL  79  -9.381  -0.400  -0.400
  594   2HG2  VAL  79          HG23      VAL  79 -10.722   0.568   0.568
  595   3HG2  VAL  79          HG22      VAL  79  -9.748  -0.391  -0.391
  596    H    ARG  80           HN       ARG  80 -11.249  -3.607  -3.607
  597    HA   ARG  80           HA       ARG  80 -13.839  -4.814  -4.814
  598   1HB   ARG  80           HB2      ARG  80 -12.477  -4.237  -4.237
  599   2HB   ARG  80           HB1      ARG  80 -13.272  -5.811  -5.811
  600   1HG   ARG  80           HG2      ARG  80 -15.278  -4.460  -4.460
  601   2HG   ARG  80           HG1      ARG  80 -14.479  -3.070  -3.070
  602   1HD   ARG  80           HD2      ARG  80 -15.983  -3.859  -3.859
  603   2HD   ARG  80           HD1      ARG  80 -14.406  -4.514  -4.514
  604    HE   ARG  80           HE       ARG  80 -15.207  -6.548  -6.548
  605   1HH1  ARG  80          HH21      ARG  80 -16.362  -5.314  -5.314
  606   2HH1  ARG  80          HH22      ARG  80 -17.857  -6.188  -6.188
  607   1HH2  ARG  80          HH11      ARG  80 -17.463  -7.352  -7.352
  608   2HH2  ARG  80          HH12      ARG  80 -18.480  -7.342  -7.342
  609    H    GLY  81           HN       GLY  81 -10.440  -5.397  -5.397
  610   1HA   GLY  81           HA2      GLY  81 -10.924  -8.285  -8.285
  611   2HA   GLY  81           HA1      GLY  81  -9.582  -7.768  -7.768
  612    H    TYR  82           HN       TYR  82  -9.802  -9.077  -9.077
  613    HA   TYR  82           HA       TYR  82  -8.059  -7.108  -7.108
  614   1HB   TYR  82           HB2      TYR  82  -9.801  -9.351  -9.351
  615   2HB   TYR  82           HB1      TYR  82  -8.941  -8.150  -8.150
  616    HD1  TYR  82           HD2      TYR  82 -11.615  -8.569  -8.569
  617    HD2  TYR  82           HD1      TYR  82  -9.879  -6.009  -6.009
  618    HE1  TYR  82           HE2      TYR  82 -13.543  -7.022  -7.022
  619    HE2  TYR  82           HE1      TYR  82 -11.806  -4.462  -4.462
  620    HH   TYR  82           HH       TYR  82 -13.545  -3.884  -3.884
  621    HA   PRO  83           HA       PRO  83  -6.971  -7.203  -7.203
  622   1HB   PRO  83           HB2      PRO  83  -4.351  -7.011  -7.011
  623   2HB   PRO  83           HB1      PRO  83  -5.504  -8.091  -8.091
  624   1HG   PRO  83           HG2      PRO  83  -3.301  -8.722  -8.722
  625   2HG   PRO  83           HG1      PRO  83  -4.094  -9.742  -9.742
  626   1HD   PRO  83           HD2      PRO  83  -4.503  -9.731  -9.731
  627   2HD   PRO  83           HD1      PRO  83  -5.358 -10.697 -10.697
  628    H    THR  84           HN       THR  84  -6.823  -5.129  -5.129
  629    HA   THR  84           HA       THR  84  -5.220  -4.717  -4.717
  630    HB   THR  84           HB       THR  84  -6.880  -2.599  -2.599
  631    HG1  THR  84           HG1      THR  84  -7.832  -5.002  -5.002
  632   1HG2  THR  84          HG23      THR  84  -6.210  -3.524  -3.524
  633   2HG2  THR  84          HG22      THR  84  -7.659  -2.556  -2.556
  634   3HG2  THR  84          HG21      THR  84  -6.075  -1.910  -1.910
  635    H    ILE  85           HN       ILE  85  -3.142  -3.985  -3.985
  636    HA   ILE  85           HA       ILE  85  -2.420  -2.454  -2.454
  637    HB   ILE  85           HB       ILE  85  -0.717  -3.743  -3.743
  638   1HG1  ILE  85          HG12      ILE  85  -0.529  -5.150  -5.150
  639   2HG1  ILE  85          HG11      ILE  85  -2.251  -4.877  -4.877
  640   1HG2  ILE  85          HG23      ILE  85   0.182  -1.858  -1.858
  641   2HG2  ILE  85          HG22      ILE  85   0.138  -3.120  -3.120
  642   3HG2  ILE  85          HG21      ILE  85   1.133  -3.329  -3.329
  643   1HD1  ILE  85          HD11      ILE  85  -0.492  -5.864  -5.864
  644   2HD1  ILE  85          HD13      ILE  85  -1.173  -6.990  -6.990
  645   3HD1  ILE  85          HD12      ILE  85  -2.242  -6.008  -6.008
  646    H    LYS  86           HN       LYS  86  -1.499  -0.381  -0.381
  647    HA   LYS  86           HA       LYS  86  -1.017   0.797   0.797
  648   1HB   LYS  86           HB2      LYS  86  -3.432   1.077   1.077
  649   2HB   LYS  86           HB1      LYS  86  -2.598   2.632   2.632
  650   1HG   LYS  86           HG1      LYS  86  -3.907   2.705   2.705
  651   2HG   LYS  86           HG2      LYS  86  -2.277   2.329   2.329
  652   1HD   LYS  86           HD2      LYS  86  -2.830   0.185   0.185
  653   2HD   LYS  86           HD1      LYS  86  -4.001   0.010   0.010
  654   1HE   LYS  86           HE1      LYS  86  -5.728   0.779   0.779
  655   2HE   LYS  86           HE2      LYS  86  -4.724   2.024   2.024
  656   1HZ   LYS  86           HZ1      LYS  86  -3.578   0.219   0.219
  657   2HZ   LYS  86           HZ3      LYS  86  -4.679  -0.898  -0.898
  658   3HZ   LYS  86           HZ2      LYS  86  -5.225   0.324   0.324
  659    H    PHE  87           HN       PHE  87   0.522   2.463   2.463
  660    HA   PHE  87           HA       PHE  87   1.557   3.125   3.125
  661   1HB   PHE  87           HB1      PHE  87   3.075   1.728   1.728
  662   2HB   PHE  87           HB2      PHE  87   2.913   2.765   2.765
  663    HD1  PHE  87           HD1      PHE  87   3.292   3.820   3.820
  664    HD2  PHE  87           HD2      PHE  87   5.126   3.560   3.560
  665    HE1  PHE  87           HE1      PHE  87   5.177   5.219   5.219
  666    HE2  PHE  87           HE2      PHE  87   7.010   4.959   4.959
  667    HZ   PHE  87           HZ       PHE  87   7.036   5.788   5.788
  668    H    PHE  88           HN       PHE  88   1.595   5.298   5.298
  669    HA   PHE  88           HA       PHE  88   1.044   7.250   7.250
  670   1HB   PHE  88           HB2      PHE  88   0.316   7.050   7.050
  671   2HB   PHE  88           HB1      PHE  88   0.200   8.581   8.581
  672    HD1  PHE  88           HD1      PHE  88  -1.083   5.129   5.129
  673    HD2  PHE  88           HD2      PHE  88  -1.459   8.927   8.927
  674    HE1  PHE  88           HE1      PHE  88  -3.251   4.414   4.414
  675    HE2  PHE  88           HE2      PHE  88  -3.629   8.214   8.214
  676    HZ   PHE  88           HZ       PHE  88  -4.509   5.947   5.947
  677    H    ARG  89           HN       ARG  89   2.047   9.436   9.436
  678    HA   ARG  89           HA       ARG  89   4.574   9.304   9.304
  679   1HB   ARG  89           HB2      ARG  89   4.643   8.873   8.873
  680   2HB   ARG  89           HB1      ARG  89   4.427  10.620  10.620
  681   1HG   ARG  89           HG2      ARG  89   6.384  10.673  10.673
  682   2HG   ARG  89           HG1      ARG  89   6.729   9.062   9.062
  683   1HD   ARG  89           HD2      ARG  89   7.564   9.899   9.899
  684   2HD   ARG  89           HD1      ARG  89   6.224  11.049  11.049
  685    HE   ARG  89           HE       ARG  89   8.391  11.553  11.553
  686   1HH1  ARG  89          HH21      ARG  89   6.464  13.658  13.658
  687   2HH1  ARG  89          HH22      ARG  89   7.011  14.758  14.758
  688   1HH2  ARG  89          HH11      ARG  89   9.102  12.451  12.451
  689   2HH2  ARG  89          HH12      ARG  89   8.503  14.075  14.075
  690    H    ASN  90           HN       ASN  90   3.872  10.779  10.779
  691    HA   ASN  90           HA       ASN  90   3.266  12.870  12.870
  692   1HB   ASN  90           HB2      ASN  90   5.431  13.340  13.340
  693   2HB   ASN  90           HB1      ASN  90   4.600  13.696  13.696
  694   1HD2  ASN  90          HD22      ASN  90   3.689  16.313  16.313
  695   2HD2  ASN  90          HD21      ASN  90   3.624  14.642  14.642
  696    H    GLY  91           HN       GLY  91   0.956  11.997  11.997
  697   1HA   GLY  91           HA1      GLY  91  -1.148  12.518  12.518
  698   2HA   GLY  91           HA2      GLY  91  -0.602  14.190  14.190
  699    H    ASP  92           HN       ASP  92  -0.570  11.296  11.296
  700    HA   ASP  92           HA       ASP  92   0.307  12.879  12.879
  701   1HB   ASP  92           HB1      ASP  92   0.278  10.118  10.118
  702   2HB   ASP  92           HB2      ASP  92  -0.397  10.247  10.247
  703    H    THR  93           HN       THR  93  -2.343  10.527  10.527
  704    HA   THR  93           HA       THR  93  -4.569  10.518  10.518
  705    HB   THR  93           HB       THR  93  -4.672  13.421  13.421
  706    HG1  THR  93           HG1      THR  93  -3.973  14.053  14.053
  707   1HG2  THR  93          HG21      THR  93  -6.026  11.396  11.396
  708   2HG2  THR  93          HG23      THR  93  -6.376  13.120  13.120
  709   3HG2  THR  93          HG22      THR  93  -6.699  12.257  12.257
  710    H    ALA  94           HN       ALA  94  -5.688  10.423  10.423
  711    HA   ALA  94           HA       ALA  94  -5.914  10.362  10.362
  712   1HB   ALA  94           HB2      ALA  94  -5.947  12.849  12.849
  713   2HB   ALA  94           HB1      ALA  94  -4.278  12.904  12.904
  714   3HB   ALA  94           HB3      ALA  94  -5.575  12.488  12.488
  715    H    SER  95           HN       SER  95  -3.252   9.427   9.427
  716    HA   SER  95           HA       SER  95  -1.942   8.498   8.498
  717   1HB   SER  95           HB2      SER  95  -1.472  11.164  11.164
  718   2HB   SER  95           HB1      SER  95  -0.075  10.352  10.352
  719    HG   SER  95           HG       SER  95  -0.352  10.969  10.969
  720    HA   PRO  96           HA       PRO  96  -0.691   6.788   6.788
  721   1HB   PRO  96           HB1      PRO  96  -2.118   4.456   4.456
  722   2HB   PRO  96           HB2      PRO  96  -2.756   5.964   5.964
  723   1HG   PRO  96           HG2      PRO  96  -3.305   4.676   4.676
  724   2HG   PRO  96           HG1      PRO  96  -4.390   5.589   5.589
  725   1HD   PRO  96           HD2      PRO  96  -3.214   6.599   6.599
  726   2HD   PRO  96           HD1      PRO  96  -3.814   7.582   7.582
  727    H    LYS  97           HN       LYS  97   0.665   4.814   4.814
  728    HA   LYS  97           HA       LYS  97   1.684   3.801   3.801
  729   1HB   LYS  97           HB1      LYS  97   2.842   4.565   4.565
  730   2HB   LYS  97           HB2      LYS  97   3.600   3.196   3.196
  731   1HG   LYS  97           HG2      LYS  97   3.933   4.545   4.545
  732   2HG   LYS  97           HG1      LYS  97   3.106   5.909   5.909
  733   1HD   LYS  97           HD2      LYS  97   4.909   5.575   5.575
  734   2HD   LYS  97           HD1      LYS  97   5.812   4.767   4.767
  735   1HE   LYS  97           HE2      LYS  97   4.578   7.417   7.417
  736   2HE   LYS  97           HE1      LYS  97   6.037   7.401   7.401
  737   1HZ   LYS  97           HZ2      LYS  97   7.108   5.969   5.969
  738   2HZ   LYS  97           HZ1      LYS  97   5.717   5.989   5.989
  739   3HZ   LYS  97           HZ3      LYS  97   6.606   7.413   7.413
  740    H    GLU  98           HN       GLU  98   0.300   1.975   1.975
  741    HA   GLU  98           HA       GLU  98  -0.523   0.156   0.156
  742   1HB   GLU  98           HB2      GLU  98  -0.829  -1.369  -1.369
  743   2HB   GLU  98           HB1      GLU  98  -1.363   0.268   0.268
  744   1HG   GLU  98           HG2      GLU  98   0.742   0.729   0.729
  745   2HG   GLU  98           HG1      GLU  98   1.370  -0.852  -0.852
  746    H    TYR  99           HN       TYR  99   0.336  -1.930  -1.930
  747    HA   TYR  99           HA       TYR  99   3.304  -2.022  -2.022
  748   1HB   TYR  99           HB2      TYR  99   1.257  -2.529  -2.529
  749   2HB   TYR  99           HB1      TYR  99   1.807  -4.140  -4.140
  750    HD1  TYR  99           HD2      TYR  99   4.471  -4.374  -4.374
  751    HD2  TYR  99           HD1      TYR  99   2.380  -1.447  -1.447
  752    HE1  TYR  99           HE2      TYR  99   6.473  -4.100  -4.100
  753    HE2  TYR  99           HE1      TYR  99   4.382  -1.172  -1.172
  754    HH   TYR  99           HH       TYR  99   7.273  -3.188  -3.188
  755    H    THR 100           HN       THR 100   4.425  -3.472  -3.472
  756    HA   THR 100           HA       THR 100   2.939  -5.200  -5.200
  757    HB   THR 100           HB       THR 100   5.234  -5.617  -5.617
  758    HG1  THR 100           HG1      THR 100   6.707  -5.507  -5.507
  759   1HG2  THR 100          HG21      THR 100   3.820  -3.381  -3.381
  760   2HG2  THR 100          HG23      THR 100   5.187  -2.691  -2.691
  761   3HG2  THR 100          HG22      THR 100   5.449  -3.517  -3.517
  762    H    ALA 101           HN       ALA 101   5.391  -5.718  -5.718
  763    HA   ALA 101           HA       ALA 101   5.372  -8.572  -8.572
  764   1HB   ALA 101           HB3      ALA 101   6.529  -6.441  -6.441
  765   2HB   ALA 101           HB2      ALA 101   5.810  -7.550  -7.550
  766   3HB   ALA 101           HB1      ALA 101   7.005  -8.139  -8.139
  767    H    GLY 102           HN       GLY 102   4.736  -9.466  -9.466
  768   1HA   GLY 102           HA2      GLY 102   2.556  -8.839  -8.839
  769   2HA   GLY 102           HA1      GLY 102   1.782  -9.334  -9.334
  770    H    ARG 103           HN       ARG 103   4.317 -10.545 -10.545
  771    HA   ARG 103           HA       ARG 103   2.960 -13.194 -13.194
  772   1HB   ARG 103           HB1      ARG 103   5.471 -12.424 -12.424
  773   2HB   ARG 103           HB2      ARG 103   5.666 -13.790 -13.790
  774   1HG   ARG 103           HG2      ARG 103   3.794 -14.952 -14.952
  775   2HG   ARG 103           HG1      ARG 103   3.605 -13.585 -13.585
  776   1HD   ARG 103           HD2      ARG 103   6.270 -14.984 -14.984
  777   2HD   ARG 103           HD1      ARG 103   5.016 -15.602 -15.602
  778    HE   ARG 103           HE       ARG 103   5.607 -12.710 -12.710
  779   1HH1  ARG 103          HH11      ARG 103   4.552 -13.015 -13.015
  780   2HH1  ARG 103          HH12      ARG 103   5.680 -13.785 -13.785
  781   1HH2  ARG 103          HH21      ARG 103   7.701 -14.962 -14.962
  782   2HH2  ARG 103          HH22      ARG 103   7.464 -14.886 -14.886
  783    H    GLU 104           HN       GLU 104   5.900 -11.549 -11.549
  784    HA   GLU 104           HA       GLU 104   5.125 -12.227 -12.227
  785   1HB   GLU 104           HB1      GLU 104   7.618 -13.058 -13.058
  786   2HB   GLU 104           HB2      GLU 104   7.561 -13.024 -13.024
  787   1HG   GLU 104           HG2      GLU 104   5.310 -14.400 -14.400
  788   2HG   GLU 104           HG1      GLU 104   6.143 -14.831 -14.831
  789    H    ALA 105           HN       ALA 105   6.436 -10.947 -10.947
  790    HA   ALA 105           HA       ALA 105   6.630  -8.220  -8.220
  791   1HB   ALA 105           HB1      ALA 105   7.260 -10.040 -10.040
  792   2HB   ALA 105           HB3      ALA 105   8.811  -9.271  -9.271
  793   3HB   ALA 105           HB2      ALA 105   7.423  -8.289  -8.289
  794    H    ASP 106           HN       ASP 106   9.073 -10.665 -10.665
  795    HA   ASP 106           HA       ASP 106  11.262  -8.946  -8.946
  796   1HB   ASP 106           HB2      ASP 106  10.297 -11.626 -11.626
  797   2HB   ASP 106           HB1      ASP 106  11.789 -10.917 -10.917
  798    H    ASP 107           HN       ASP 107   8.492  -9.917  -9.917
  799    HA   ASP 107           HA       ASP 107   9.407  -8.676  -8.676
  800   1HB   ASP 107           HB1      ASP 107   7.150 -10.139 -10.139
  801   2HB   ASP 107           HB2      ASP 107   6.571  -8.757  -8.757
  802    H    ILE 108           HN       ILE 108   7.886  -7.487  -7.487
  803    HA   ILE 108           HA       ILE 108   6.840  -5.019  -5.019
  804    HB   ILE 108           HB       ILE 108   7.442  -5.864  -5.864
  805   1HG1  ILE 108          HG12      ILE 108   5.950  -7.445  -7.445
  806   2HG1  ILE 108          HG11      ILE 108   5.062  -6.528  -6.528
  807   1HG2  ILE 108          HG23      ILE 108   6.128  -3.507  -3.507
  808   2HG2  ILE 108          HG22      ILE 108   5.300  -4.216  -4.216
  809   3HG2  ILE 108          HG21      ILE 108   6.962  -3.648  -3.648
  810   1HD1  ILE 108          HD13      ILE 108   4.659  -4.886  -4.886
  811   2HD1  ILE 108          HD12      ILE 108   4.909  -6.374  -6.374
  812   3HD1  ILE 108          HD11      ILE 108   3.617  -6.280  -6.280
  813    H    VAL 109           HN       VAL 109   9.653  -5.870  -5.870
  814    HA   VAL 109           HA       VAL 109  10.730  -3.225  -3.225
  815    HB   VAL 109           HB       VAL 109  12.044  -5.962  -5.962
  816   1HG1  VAL 109          HG21      VAL 109  13.570  -3.939  -3.939
  817   2HG1  VAL 109          HG23      VAL 109  12.971  -3.394  -3.394
  818   3HG1  VAL 109          HG22      VAL 109  13.850  -4.918  -4.918
  819   1HG2  VAL 109          HG11      VAL 109  10.042  -5.041  -5.041
  820   2HG2  VAL 109          HG13      VAL 109  11.280  -6.183  -6.183
  821   3HG2  VAL 109          HG12      VAL 109  11.464  -4.463  -4.463
  822    H    ASN 110           HN       ASN 110  11.219  -5.827  -5.827
  823    HA   ASN 110           HA       ASN 110  13.402  -4.758  -4.758
  824   1HB   ASN 110           HB1      ASN 110  10.981  -6.411  -6.411
  825   2HB   ASN 110           HB2      ASN 110  12.201  -6.022  -6.022
  826   1HD2  ASN 110          HD22      ASN 110  13.367  -9.204  -9.204
  827   2HD2  ASN 110          HD21      ASN 110  12.157  -8.648  -8.648
  828    H    TRP 111           HN       TRP 111   9.917  -4.220  -4.220
  829    HA   TRP 111           HA       TRP 111  10.283  -2.319  -2.319
  830   1HB   TRP 111           HB2      TRP 111   8.229  -3.756  -3.756
  831   2HB   TRP 111           HB1      TRP 111   7.872  -2.142  -2.142
  832    HD1  TRP 111           HD1      TRP 111   8.212  -4.113  -4.113
  833    HE1  TRP 111           HE1      TRP 111   7.152  -2.750  -2.750
  834    HE3  TRP 111           HE3      TRP 111   7.262   0.263   0.263
  835    HZ2  TRP 111           HZ2      TRP 111   6.048  -0.148  -0.148
  836    HZ3  TRP 111           HZ3      TRP 111   6.207   2.166   2.166
  837    HH2  TRP 111           HH2      TRP 111   5.600   1.967   1.967
  838    H    LEU 112           HN       LEU 112  10.214  -2.064  -2.064
  839    HA   LEU 112           HA       LEU 112   9.926   0.855   0.855
  840   1HB   LEU 112           HB1      LEU 112  10.511  -1.326  -1.326
  841   2HB   LEU 112           HB2      LEU 112  10.534   0.376   0.376
  842    HG   LEU 112           HG       LEU 112   8.181  -0.913  -0.913
  843   1HD1  LEU 112          HD11      LEU 112   8.836  -0.659  -0.659
  844   2HD1  LEU 112          HD13      LEU 112   7.166  -0.746  -0.746
  845   3HD1  LEU 112          HD12      LEU 112   8.273  -2.081  -2.081
  846   1HD2  LEU 112          HD22      LEU 112   8.677   1.704   1.704
  847   2HD2  LEU 112          HD21      LEU 112   8.135   1.459   1.459
  848   3HD2  LEU 112          HD23      LEU 112   7.048   1.102   1.102
  849    H    LYS 113           HN       LYS 113  12.559  -1.515  -1.515
  850    HA   LYS 113           HA       LYS 113  14.543   0.692   0.692
  851   1HB   LYS 113           HB2      LYS 113  14.278  -2.137  -2.137
  852   2HB   LYS 113           HB1      LYS 113  15.855  -1.755  -1.755
  853   1HG   LYS 113           HG2      LYS 113  16.414  -0.307  -0.307
  854   2HG   LYS 113           HG1      LYS 113  14.732   0.117   0.117
  855   1HD   LYS 113           HD2      LYS 113  14.333  -1.973  -1.973
  856   2HD   LYS 113           HD1      LYS 113  15.882  -2.623  -2.623
  857   1HE   LYS 113           HE2      LYS 113  15.931  -0.087  -0.087
  858   2HE   LYS 113           HE1      LYS 113  15.616  -1.606  -1.606
  859   1HZ   LYS 113           HZ1      LYS 113  17.539  -2.518  -2.518
  860   2HZ   LYS 113           HZ3      LYS 113  17.940  -0.901  -0.901
  861   3HZ   LYS 113           HZ2      LYS 113  17.932  -1.476  -1.476
  862    H    LYS 114           HN       LYS 114  13.016  -0.160  -0.160
  863    HA   LYS 114           HA       LYS 114  15.112  -1.252  -1.252
  864   1HB   LYS 114           HB2      LYS 114  12.302  -1.008  -1.008
  865   2HB   LYS 114           HB1      LYS 114  12.835  -0.043  -0.043
  866   1HG   LYS 114           HG2      LYS 114  13.925  -1.890  -1.890
  867   2HG   LYS 114           HG1      LYS 114  13.880  -2.836  -2.836
  868   1HD   LYS 114           HD2      LYS 114  11.593  -3.298  -3.298
  869   2HD   LYS 114           HD1      LYS 114  11.316  -1.928  -1.928
  870   1HE   LYS 114           HE2      LYS 114  12.779  -3.123  -3.123
  871   2HE   LYS 114           HE1      LYS 114  12.685  -4.550  -4.550
  872   1HZ   LYS 114           HZ2      LYS 114  10.299  -3.024  -3.024
  873   2HZ   LYS 114           HZ1      LYS 114  10.882  -4.384  -4.384
  874   3HZ   LYS 114           HZ3      LYS 114  10.337  -4.543  -4.543
  875    H    ARG 115           HN       ARG 115  13.481   1.898   1.898
  876    HA   ARG 115           HA       ARG 115  15.795   3.184   3.184
  877   1HB   ARG 115           HB2      ARG 115  12.873   3.216   3.216
  878   2HB   ARG 115           HB1      ARG 115  13.739   4.739   4.739
  879   1HG   ARG 115           HG2      ARG 115  15.367   3.639   3.639
  880   2HG   ARG 115           HG1      ARG 115  14.526   2.102   2.102
  881   1HD   ARG 115           HD2      ARG 115  12.464   3.134   3.134
  882   2HD   ARG 115           HD1      ARG 115  13.387   4.620   4.620
  883    HE   ARG 115           HE       ARG 115  14.999   2.770   2.770
  884   1HH1  ARG 115          HH11      ARG 115  12.089   1.421   1.421
  885   2HH1  ARG 115          HH12      ARG 115  11.681   1.596   1.596
  886   1HH2  ARG 115          HH21      ARG 115  14.271   3.800   3.800
  887   2HH2  ARG 115          HH22      ARG 115  12.917   2.942   2.942
  888    H    THR 116           HN       THR 116  14.711   2.889   2.889
  889    HA   THR 116           HA       THR 116  15.115   5.740   5.740
  890    HB   THR 116           HB       THR 116  13.005   5.473   5.473
  891    HG1  THR 116           HG1      THR 116  12.200   3.549   3.549
  892   1HG2  THR 116          HG22      THR 116  13.377   6.685   6.685
  893   2HG2  THR 116          HG21      THR 116  12.251   5.442   5.442
  894   3HG2  THR 116          HG23      THR 116  11.774   6.565   6.565
  895    H    GLY 117           HN       GLY 117  16.900   3.648   3.648
  896   1HA   GLY 117           HA1      GLY 117  16.636   3.282   3.282
  897   2HA   GLY 117           HA2      GLY 117  17.203   1.968   1.968
  898    HA   PRO 118           HA       PRO 118  20.859   4.462   4.462
  899   1HB   PRO 118           HB2      PRO 118  22.314   2.333   2.333
  900   2HB   PRO 118           HB1      PRO 118  21.160   3.225   3.225
  901   1HG   PRO 118           HG2      PRO 118  20.847   0.612   0.612
  902   2HG   PRO 118           HG1      PRO 118  20.257   1.119   1.119
  903   1HD   PRO 118           HD2      PRO 118  18.682   0.994   0.994
  904   2HD   PRO 118           HD1      PRO 118  18.377   2.094   2.094
  905    H    ALA 119           HN       ALA 119  20.968   4.602   4.602
  906    HA   ALA 119           HA       ALA 119  22.633   2.468   2.468
  907   1HB   ALA 119           HB3      ALA 119  20.747   4.621   4.621
  908   2HB   ALA 119           HB2      ALA 119  21.925   3.962   3.962
  909   3HB   ALA 119           HB1      ALA 119  20.735   2.899   2.899
  910    H    ALA 120           HN       ALA 120  24.679   3.169   3.169
  911    HA   ALA 120           HA       ALA 120  25.640   5.891   5.891
  912   1HB   ALA 120           HB1      ALA 120  26.507   3.267   3.267
  913   2HB   ALA 120           HB3      ALA 120  27.828   4.177   4.177
  914   3HB   ALA 120           HB2      ALA 120  26.921   4.869   4.869

  Start of MODEL   25
    1   1H    ASP   1           HT1      ASP   1  -3.962  13.098  13.098
    2   2H    ASP   1           HT3      ASP   1  -4.612  14.343  14.343
    3   3H    ASP   1           HT2      ASP   1  -5.063  12.731  12.731
    4    HA   ASP   1           HA       ASP   1  -3.518  13.174  13.174
    5   1HB   ASP   1           HB2      ASP   1  -1.421  14.409  14.409
    6   2HB   ASP   1           HB1      ASP   1  -2.877  15.340  15.340
    7    H    ALA   2           HN       ALA   2  -3.958  10.965  10.965
    8    HA   ALA   2           HA       ALA   2  -1.186   9.830   9.830
    9   1HB   ALA   2           HB2      ALA   2  -3.718   9.461   9.461
   10   2HB   ALA   2           HB1      ALA   2  -2.365   8.336   8.336
   11   3HB   ALA   2           HB3      ALA   2  -2.148  10.033  10.033
   12    HA   PRO   3           HA       PRO   3  -3.049   7.249   7.249
   13   1HB   PRO   3           HB1      PRO   3  -0.701   6.099   6.099
   14   2HB   PRO   3           HB2      PRO   3  -1.232   7.703   7.703
   15   1HG   PRO   3           HG2      PRO   3   0.747   6.959   6.959
   16   2HG   PRO   3           HG1      PRO   3   0.799   8.277   8.277
   17   1HD   PRO   3           HD2      PRO   3   0.122   8.631   8.631
   18   2HD   PRO   3           HD1      PRO   3  -0.465   9.670   9.670
   19    H    GLU   4           HN       GLU   4  -3.932   5.264   5.264
   20    HA   GLU   4           HA       GLU   4  -2.985   3.702   3.702
   21   1HB   GLU   4           HB2      GLU   4  -5.296   3.875   3.875
   22   2HB   GLU   4           HB1      GLU   4  -4.942   2.244   2.244
   23   1HG   GLU   4           HG1      GLU   4  -4.758   3.384   3.384
   24   2HG   GLU   4           HG2      GLU   4  -5.676   4.688   4.688
   25    H    GLU   5           HN       GLU   5  -2.559   1.327   1.327
   26    HA   GLU   5           HA       GLU   5  -1.387   0.597   0.597
   27   1HB   GLU   5           HB2      GLU   5  -0.184   0.129   0.129
   28   2HB   GLU   5           HB1      GLU   5   0.557  -0.290  -0.290
   29   1HG   GLU   5           HG2      GLU   5   0.519   2.128   2.128
   30   2HG   GLU   5           HG1      GLU   5  -0.110   2.505   2.505
   31    H    GLU   6           HN       GLU   6  -1.443  -1.695  -1.695
   32    HA   GLU   6           HA       GLU   6  -3.187  -3.260  -3.260
   33   1HB   GLU   6           HB1      GLU   6  -3.142  -2.827  -2.827
   34   2HB   GLU   6           HB2      GLU   6  -3.628  -4.420  -4.420
   35   1HG   GLU   6           HG2      GLU   6  -4.843  -2.151  -2.151
   36   2HG   GLU   6           HG1      GLU   6  -5.332  -2.296  -2.296
   37    H    ASP   7           HN       ASP   7  -1.532  -4.449  -4.449
   38    HA   ASP   7           HA       ASP   7  -0.100  -6.431  -6.431
   39   1HB   ASP   7           HB1      ASP   7  -1.013  -6.144  -6.144
   40   2HB   ASP   7           HB2      ASP   7   0.410  -7.146  -7.146
   41    H    HIS   8           HN       HIS   8   1.318  -4.477  -4.477
   42    HA   HIS   8           HA       HIS   8   3.408  -3.384  -3.384
   43   1HB   HIS   8           HB2      HIS   8   3.596  -5.871  -5.871
   44   2HB   HIS   8           HB1      HIS   8   4.854  -4.680  -4.680
   45    HD1  HIS   8           HD1      HIS   8   5.423  -7.385  -7.385
   46    HD2  HIS   8           HD2      HIS   8   4.728  -3.718  -3.718
   47    HE1  HIS   8           HE1      HIS   8   6.469  -7.539  -7.539
   48    H    VAL   9           HN       VAL   9   1.113  -2.827  -2.827
   49    HA   VAL   9           HA       VAL   9   2.783  -1.113  -1.113
   50    HB   VAL   9           HB       VAL   9   1.099  -1.696  -1.696
   51   1HG1  VAL   9          HG21      VAL   9   3.295  -3.110  -3.110
   52   2HG1  VAL   9          HG23      VAL   9   2.047  -4.356  -4.356
   53   3HG1  VAL   9          HG22      VAL   9   2.359  -3.475  -3.475
   54   1HG2  VAL   9          HG12      VAL   9  -0.312  -2.714  -2.714
   55   2HG2  VAL   9          HG11      VAL   9  -0.790  -2.785  -2.785
   56   3HG2  VAL   9          HG13      VAL   9   0.128  -4.111  -4.111
   57    H    LEU  10           HN       LEU  10   1.111   0.474   0.474
   58    HA   LEU  10           HA       LEU  10  -0.325   1.855   1.855
   59   1HB   LEU  10           HB1      LEU  10   1.217   2.589   2.589
   60   2HB   LEU  10           HB2      LEU  10  -0.422   2.972   2.972
   61    HG   LEU  10           HG       LEU  10   0.683   4.880   4.880
   62   1HD1  LEU  10          HD22      LEU  10  -1.890   3.964   3.964
   63   2HD1  LEU  10          HD21      LEU  10  -1.391   4.146   4.146
   64   3HD1  LEU  10          HD23      LEU  10  -1.316   5.525   5.525
   65   1HD2  LEU  10          HD11      LEU  10   1.617   2.901   2.901
   66   2HD2  LEU  10          HD13      LEU  10   1.741   4.640   4.640
   67   3HD2  LEU  10          HD12      LEU  10   0.395   3.733   3.733
   68    H    VAL  11           HN       VAL  11  -2.571   2.477   2.477
   69    HA   VAL  11           HA       VAL  11  -4.128   1.101   1.101
   70    HB   VAL  11           HB       VAL  11  -3.913  -0.385  -0.385
   71   1HG1  VAL  11          HG21      VAL  11  -4.109   1.935   1.935
   72   2HG1  VAL  11          HG23      VAL  11  -5.746   1.295   1.295
   73   3HG1  VAL  11          HG22      VAL  11  -4.369   0.325   0.325
   74   1HG2  VAL  11          HG12      VAL  11  -6.649   0.772   0.772
   75   2HG2  VAL  11          HG11      VAL  11  -5.884  -0.607  -0.607
   76   3HG2  VAL  11          HG13      VAL  11  -6.387  -0.724  -0.724
   77    H    LEU  12           HN       LEU  12  -5.880   2.385   2.385
   78    HA   LEU  12           HA       LEU  12  -6.799   4.517   4.517
   79   1HB   LEU  12           HB1      LEU  12  -6.470   6.198   6.198
   80   2HB   LEU  12           HB2      LEU  12  -5.045   5.700   5.700
   81    HG   LEU  12           HG       LEU  12  -4.814   5.795   5.795
   82   1HD1  LEU  12          HD21      LEU  12  -3.543   4.271   4.271
   83   2HD1  LEU  12          HD23      LEU  12  -4.201   3.002   3.002
   84   3HD1  LEU  12          HD22      LEU  12  -3.150   4.241   4.241
   85   1HD2  LEU  12          HD11      LEU  12  -7.089   4.644   4.644
   86   2HD2  LEU  12          HD13      LEU  12  -5.762   4.139   4.139
   87   3HD2  LEU  12          HD12      LEU  12  -6.231   3.141   3.141
   88    H    ARG  13           HN       ARG  13  -8.508   5.913   5.913
   89    HA   ARG  13           HA       ARG  13 -10.174   4.111   4.111
   90   1HB   ARG  13           HB1      ARG  13 -12.114   4.746   4.746
   91   2HB   ARG  13           HB2      ARG  13 -10.885   3.802   3.802
   92   1HG   ARG  13           HG2      ARG  13 -10.048   5.687   5.687
   93   2HG   ARG  13           HG1      ARG  13 -10.810   6.817   6.817
   94   1HD   ARG  13           HD2      ARG  13 -12.269   5.026   5.026
   95   2HD   ARG  13           HD1      ARG  13 -12.079   6.784   6.784
   96    HE   ARG  13           HE       ARG  13 -13.149   6.333   6.333
   97   1HH1  ARG  13          HH21      ARG  13 -14.133   4.507   4.507
   98   2HH1  ARG  13          HH22      ARG  13 -15.773   5.064   5.064
   99   1HH2  ARG  13          HH11      ARG  13 -15.215   7.557   7.557
  100   2HH2  ARG  13          HH12      ARG  13 -16.385   6.792   6.792
  101    H    LYS  14           HN       LYS  14 -12.342   5.625   5.625
  102    HA   LYS  14           HA       LYS  14 -11.542   7.664   7.664
  103   1HB   LYS  14           HB1      LYS  14 -13.812   6.298   6.298
  104   2HB   LYS  14           HB2      LYS  14 -14.194   7.909   7.909
  105   1HG   LYS  14           HG1      LYS  14 -13.003   7.646   7.646
  106   2HG   LYS  14           HG2      LYS  14 -14.711   7.266   7.266
  107   1HD   LYS  14           HD2      LYS  14 -13.449   9.842   9.842
  108   2HD   LYS  14           HD1      LYS  14 -14.217   9.684   9.684
  109   1HE   LYS  14           HE2      LYS  14 -16.257   8.751   8.751
  110   2HE   LYS  14           HE1      LYS  14 -15.483   9.568   9.568
  111   1HZ   LYS  14           HZ2      LYS  14 -15.821  10.918  10.918
  112   2HZ   LYS  14           HZ1      LYS  14 -17.053  10.951  10.951
  113   3HZ   LYS  14           HZ3      LYS  14 -15.532  11.615  11.615
  114    H    SER  15           HN       SER  15 -12.043   7.766   7.766
  115    HA   SER  15           HA       SER  15 -12.470  10.631  10.631
  116   1HB   SER  15           HB2      SER  15 -11.550   8.578   8.578
  117   2HB   SER  15           HB1      SER  15 -12.274  10.146  10.146
  118    HG   SER  15           HG       SER  15 -13.983   8.857   8.857
  119    H    ASN  16           HN       ASN  16  -9.681   8.499   8.499
  120    HA   ASN  16           HA       ASN  16  -7.956  10.909  10.909
  121   1HB   ASN  16           HB1      ASN  16  -6.458   9.737   9.737
  122   2HB   ASN  16           HB2      ASN  16  -8.059  10.050  10.050
  123   1HD2  ASN  16          HD22      ASN  16  -6.780   6.314   6.314
  124   2HD2  ASN  16          HD21      ASN  16  -5.788   7.688   7.688
  125    H    PHE  17           HN       PHE  17  -8.781   8.985   8.985
  126    HA   PHE  17           HA       PHE  17  -6.542   7.232   7.232
  127   1HB   PHE  17           HB2      PHE  17  -8.847   6.995   6.995
  128   2HB   PHE  17           HB1      PHE  17  -8.634   8.500   8.500
  129    HD1  PHE  17           HD2      PHE  17  -6.905   8.655   8.655
  130    HD2  PHE  17           HD1      PHE  17  -7.858   4.943   4.943
  131    HE1  PHE  17           HE2      PHE  17  -5.802   7.410   7.410
  132    HE2  PHE  17           HE1      PHE  17  -6.756   3.698   3.698
  133    HZ   PHE  17           HZ       PHE  17  -5.700   4.943   4.943
  134    H    ALA  18           HN       ALA  18  -7.613  10.264  10.264
  135    HA   ALA  18           HA       ALA  18  -5.293  10.768  10.768
  136   1HB   ALA  18           HB2      ALA  18  -7.310  12.576  12.576
  137   2HB   ALA  18           HB1      ALA  18  -6.131  13.164  13.164
  138   3HB   ALA  18           HB3      ALA  18  -7.356  11.993  11.993
  139    H    GLU  19           HN       GLU  19  -5.836  11.070  11.070
  140    HA   GLU  19           HA       GLU  19  -3.751  12.937  12.937
  141   1HB   GLU  19           HB2      GLU  19  -5.644  12.214  12.214
  142   2HB   GLU  19           HB1      GLU  19  -4.902  10.621  10.621
  143   1HG   GLU  19           HG2      GLU  19  -3.641  11.370  11.370
  144   2HG   GLU  19           HG1      GLU  19  -2.873  12.511  12.511
  145    H    ALA  20           HN       ALA  20  -3.808   9.375   9.375
  146    HA   ALA  20           HA       ALA  20  -1.099   8.941   8.941
  147   1HB   ALA  20           HB2      ALA  20  -3.312   7.425   7.425
  148   2HB   ALA  20           HB1      ALA  20  -2.457   7.069   7.069
  149   3HB   ALA  20           HB3      ALA  20  -1.687   6.738   6.738
  150    H    LEU  21           HN       LEU  21  -2.665   9.230   9.230
  151    HA   LEU  21           HA       LEU  21  -0.352   8.714   8.714
  152   1HB   LEU  21           HB2      LEU  21  -3.087   9.433   9.433
  153   2HB   LEU  21           HB1      LEU  21  -2.149  10.599  10.599
  154    HG   LEU  21           HG       LEU  21  -0.891   8.239   8.239
  155   1HD1  LEU  21          HD13      LEU  21  -3.807   7.717   7.717
  156   2HD1  LEU  21          HD12      LEU  21  -2.945   6.800   6.800
  157   3HD1  LEU  21          HD11      LEU  21  -2.409   6.738   6.738
  158   1HD2  LEU  21          HD22      LEU  21  -2.652  10.163  10.163
  159   2HD2  LEU  21          HD21      LEU  21  -1.327   9.243   9.243
  160   3HD2  LEU  21          HD23      LEU  21  -2.949   8.551   8.551
  161    H    ALA  22           HN       ALA  22  -1.808  11.813  11.813
  162    HA   ALA  22           HA       ALA  22   0.609  13.268  13.268
  163   1HB   ALA  22           HB3      ALA  22  -2.224  13.791  13.791
  164   2HB   ALA  22           HB2      ALA  22  -1.167  15.056  15.056
  165   3HB   ALA  22           HB1      ALA  22  -1.120  14.638  14.638
  166    H    ALA  23           HN       ALA  23   0.410  11.446  11.446
  167    HA   ALA  23           HA       ALA  23   1.025  13.441  13.441
  168   1HB   ALA  23           HB2      ALA  23   0.265  10.522  10.522
  169   2HB   ALA  23           HB1      ALA  23   0.918  11.225  11.225
  170   3HB   ALA  23           HB3      ALA  23  -0.587  11.845  11.845
  171    H    HIS  24           HN       HIS  24   2.543  11.176  11.176
  172    HA   HIS  24           HA       HIS  24   5.166  11.705  11.705
  173   1HB   HIS  24           HB1      HIS  24   3.801   9.420   9.420
  174   2HB   HIS  24           HB2      HIS  24   4.637   8.948   8.948
  175    HD1  HIS  24           HD1      HIS  24   5.520   7.523   7.523
  176    HD2  HIS  24           HD2      HIS  24   7.210  11.142  11.142
  177    HE1  HIS  24           HE1      HIS  24   7.790   7.659   7.659
  178    H    LYS  25           HN       LYS  25   6.669  10.011  10.011
  179    HA   LYS  25           HA       LYS  25   6.500  11.537  11.537
  180   1HB   LYS  25           HB1      LYS  25   8.634  11.305  11.305
  181   2HB   LYS  25           HB2      LYS  25   8.491   9.550   9.550
  182   1HG   LYS  25           HG2      LYS  25   8.841   9.425   9.425
  183   2HG   LYS  25           HG1      LYS  25   8.410  11.116  11.116
  184   1HD   LYS  25           HD2      LYS  25  10.844  10.257  10.257
  185   2HD   LYS  25           HD1      LYS  25  10.897  10.595  10.595
  186   1HE   LYS  25           HE2      LYS  25   9.589  12.672  12.672
  187   2HE   LYS  25           HE1      LYS  25  11.350  12.515  12.515
  188   1HZ   LYS  25           HZ3      LYS  25   9.886  12.702  12.702
  189   2HZ   LYS  25           HZ2      LYS  25  10.722  13.987  13.987
  190   3HZ   LYS  25           HZ1      LYS  25  11.568  12.617  12.617
  191    H    TYR  26           HN       TYR  26   7.631   8.186   8.186
  192    HA   TYR  26           HA       TYR  26   5.784   7.518   7.518
  193   1HB   TYR  26           HB2      TYR  26   7.926   5.899   5.899
  194   2HB   TYR  26           HB1      TYR  26   7.189   5.512   5.512
  195    HD1  TYR  26           HD2      TYR  26   7.089   8.069   8.069
  196    HD2  TYR  26           HD1      TYR  26  10.165   6.464   6.464
  197    HE1  TYR  26           HE2      TYR  26   8.773   9.483   9.483
  198    HE2  TYR  26           HE1      TYR  26  11.847   7.879   7.879
  199    HH   TYR  26           HH       TYR  26  11.668   9.082   9.082
  200    H    LEU  27           HN       LEU  27   3.764   6.748   6.748
  201    HA   LEU  27           HA       LEU  27   3.560   5.028   5.028
  202   1HB   LEU  27           HB2      LEU  27   1.706   7.125   7.125
  203   2HB   LEU  27           HB1      LEU  27   1.201   5.997   5.997
  204    HG   LEU  27           HG       LEU  27   1.865   8.005   8.005
  205   1HD1  LEU  27          HD13      LEU  27   2.904   5.638   5.638
  206   2HD1  LEU  27          HD12      LEU  27   4.408   6.492   6.492
  207   3HD1  LEU  27          HD11      LEU  27   3.299   7.116   7.116
  208   1HD2  LEU  27          HD22      LEU  27   3.501   8.393   8.393
  209   2HD2  LEU  27          HD21      LEU  27   3.472   9.399   9.399
  210   3HD2  LEU  27          HD23      LEU  27   4.652   8.097   8.097
  211    H    LEU  28           HN       LEU  28   2.833   3.003   3.003
  212    HA   LEU  28           HA       LEU  28   1.560   2.478   2.478
  213   1HB   LEU  28           HB1      LEU  28   3.587   1.217   1.217
  214   2HB   LEU  28           HB2      LEU  28   2.835   0.684   0.684
  215    HG   LEU  28           HG       LEU  28   0.964  -0.273  -0.273
  216   1HD1  LEU  28          HD13      LEU  28   2.396   1.042   1.042
  217   2HD1  LEU  28          HD12      LEU  28   2.938  -0.627  -0.627
  218   3HD1  LEU  28          HD11      LEU  28   1.220  -0.239  -0.239
  219   1HD2  LEU  28          HD23      LEU  28   3.774  -1.345  -1.345
  220   2HD2  LEU  28          HD22      LEU  28   2.337  -1.839  -1.839
  221   3HD2  LEU  28          HD21      LEU  28   2.511  -2.274  -2.274
  222    H    VAL  29           HN       VAL  29  -0.594   1.844   1.844
  223    HA   VAL  29           HA       VAL  29  -1.905   1.251   1.251
  224    HB   VAL  29           HB       VAL  29  -2.956   2.732   2.732
  225   1HG1  VAL  29          HG23      VAL  29  -4.243   1.525   1.525
  226   2HG1  VAL  29          HG22      VAL  29  -4.591   3.248   3.248
  227   3HG1  VAL  29          HG21      VAL  29  -4.971   2.156   2.156
  228   1HG2  VAL  29          HG12      VAL  29  -1.205   3.879   3.879
  229   2HG2  VAL  29          HG11      VAL  29  -2.743   4.727   4.727
  230   3HG2  VAL  29          HG13      VAL  29  -2.395   3.809   3.809
  231    H    GLU  30           HN       GLU  30  -3.085  -0.639  -0.639
  232    HA   GLU  30           HA       GLU  30  -3.507  -2.076  -2.076
  233   1HB   GLU  30           HB1      GLU  30  -1.842  -3.114  -3.114
  234   2HB   GLU  30           HB2      GLU  30  -2.967  -3.073  -3.073
  235   1HG   GLU  30           HG2      GLU  30  -4.378  -4.708  -4.708
  236   2HG   GLU  30           HG1      GLU  30  -3.661  -4.497  -4.497
  237    H    PHE  31           HN       PHE  31  -5.609  -2.595  -2.595
  238    HA   PHE  31           HA       PHE  31  -7.709  -1.964  -1.964
  239   1HB   PHE  31           HB1      PHE  31  -7.564  -2.376  -2.376
  240   2HB   PHE  31           HB2      PHE  31  -9.114  -2.315  -2.315
  241    HD1  PHE  31           HD2      PHE  31  -5.994  -0.416  -0.416
  242    HD2  PHE  31           HD1      PHE  31 -10.021  -0.251  -0.251
  243    HE1  PHE  31           HE2      PHE  31  -5.885   2.062   2.062
  244    HE2  PHE  31           HE1      PHE  31  -9.913   2.227   2.227
  245    HZ   PHE  31           HZ       PHE  31  -7.833   3.383   3.383
  246    H    TYR  32           HN       TYR  32  -8.300  -3.730  -3.730
  247    HA   TYR  32           HA       TYR  32  -8.663  -6.338  -6.338
  248   1HB   TYR  32           HB1      TYR  32  -7.725  -7.452  -7.452
  249   2HB   TYR  32           HB2      TYR  32  -6.577  -6.285  -6.285
  250    HD1  TYR  32           HD2      TYR  32  -6.445  -3.979  -3.979
  251    HD2  TYR  32           HD1      TYR  32  -8.567  -7.264  -7.264
  252    HE1  TYR  32           HE2      TYR  32  -6.404  -2.820  -2.820
  253    HE2  TYR  32           HE1      TYR  32  -8.525  -6.104  -6.104
  254    HH   TYR  32           HH       TYR  32  -6.528  -3.526  -3.526
  255    H    ALA  33           HN       ALA  33  -9.833  -7.859  -7.859
  256    HA   ALA  33           HA       ALA  33 -11.973  -6.328  -6.328
  257   1HB   ALA  33           HB1      ALA  33 -12.373  -8.512  -8.512
  258   2HB   ALA  33           HB3      ALA  33 -13.663  -7.754  -7.754
  259   3HB   ALA  33           HB2      ALA  33 -12.737  -6.800  -6.800
  260    HA   PRO  34           HA       PRO  34 -11.467  -9.538  -9.538
  261   1HB   PRO  34           HB1      PRO  34 -14.014  -9.794  -9.794
  262   2HB   PRO  34           HB2      PRO  34 -12.954  -8.426  -8.426
  263   1HG   PRO  34           HG2      PRO  34 -15.167  -8.605  -8.605
  264   2HG   PRO  34           HG1      PRO  34 -14.753  -7.284  -7.284
  265   1HD   PRO  34           HD2      PRO  34 -14.098  -7.246  -7.246
  266   2HD   PRO  34           HD1      PRO  34 -13.107  -6.464  -6.464
  267    H    TRP  35           HN       TRP  35 -13.660  -9.878  -9.878
  268    HA   TRP  35           HA       TRP  35 -13.900 -12.820 -12.820
  269   1HB   TRP  35           HB2      TRP  35 -15.778 -12.644 -12.644
  270   2HB   TRP  35           HB1      TRP  35 -15.968 -11.469 -11.469
  271    HD1  TRP  35           HD1      TRP  35 -15.792  -8.927  -8.927
  272    HE1  TRP  35           HE1      TRP  35 -15.707  -7.638  -7.638
  273    HE3  TRP  35           HE3      TRP  35 -14.880 -12.788 -12.788
  274    HZ2  TRP  35           HZ2      TRP  35 -15.306  -8.175  -8.175
  275    HZ3  TRP  35           HZ3      TRP  35 -14.651 -12.372 -12.372
  276    HH2  TRP  35           HH2      TRP  35 -14.863 -10.072 -10.072
  277    H    CYS  36           HN       CYS  36 -11.861 -10.733 -10.733
  278    HA   CYS  36           HA       CYS  36 -11.636 -11.485 -11.485
  279   1HB   CYS  36           HB1      CYS  36 -10.257  -9.827  -9.827
  280   2HB   CYS  36           HB2      CYS  36  -9.460 -11.115 -11.115
  281    H    GLY  37           HN       GLY  37  -9.887 -13.150 -13.150
  282   1HA   GLY  37           HA2      GLY  37  -9.717 -15.546 -15.546
  283   2HA   GLY  37           HA1      GLY  37 -10.281 -15.719 -15.719
  284    H    HIS  38           HN       HIS  38  -8.681 -14.679 -14.679
  285    HA   HIS  38           HA       HIS  38  -6.102 -15.977 -15.977
  286   1HB   HIS  38           HB2      HIS  38  -7.376 -14.169 -14.169
  287   2HB   HIS  38           HB1      HIS  38  -5.736 -14.793 -14.793
  288    HD1  HIS  38           HD1      HIS  38  -9.298 -16.048 -16.048
  289    HD2  HIS  38           HD2      HIS  38  -5.609 -17.416 -17.416
  290    HE1  HIS  38           HE1      HIS  38  -9.712 -18.336 -18.336
  291    H    CYS  39           HN       CYS  39  -7.241 -13.042 -13.042
  292    HA   CYS  39           HA       CYS  39  -4.861 -11.421 -11.421
  293   1HB   CYS  39           HB2      CYS  39  -7.357 -11.269 -11.269
  294   2HB   CYS  39           HB1      CYS  39  -6.084 -10.056 -10.056
  295    H    LYS  40           HN       LYS  40  -5.786 -13.907 -13.907
  296    HA   LYS  40           HA       LYS  40  -4.154 -13.108 -13.108
  297   1HB   LYS  40           HB2      LYS  40  -4.592 -15.433 -15.433
  298   2HB   LYS  40           HB1      LYS  40  -6.064 -14.689 -14.689
  299   1HG   LYS  40           HG2      LYS  40  -6.096 -16.734 -16.734
  300   2HG   LYS  40           HG1      LYS  40  -5.261 -15.729 -15.729
  301   1HD   LYS  40           HD2      LYS  40  -3.533 -17.153 -17.153
  302   2HD   LYS  40           HD1      LYS  40  -3.268 -16.653 -16.653
  303   1HE   LYS  40           HE2      LYS  40  -3.541 -19.094 -19.094
  304   2HE   LYS  40           HE1      LYS  40  -4.959 -18.382 -18.382
  305   1HZ   LYS  40           HZ2      LYS  40  -4.887 -18.754 -18.754
  306   2HZ   LYS  40           HZ1      LYS  40  -5.361 -20.027 -20.027
  307   3HZ   LYS  40           HZ3      LYS  40  -6.237 -18.575 -18.575
  308    H    ALA  41           HN       ALA  41  -3.569 -14.859 -14.859
  309    HA   ALA  41           HA       ALA  41  -1.072 -16.094 -16.094
  310   1HB   ALA  41           HB2      ALA  41  -2.641 -16.507 -16.507
  311   2HB   ALA  41           HB1      ALA  41  -1.938 -15.066 -15.066
  312   3HB   ALA  41           HB3      ALA  41  -0.921 -16.465 -16.465
  313    H    LEU  42           HN       LEU  42  -1.939 -12.858 -12.858
  314    HA   LEU  42           HA       LEU  42   0.956 -12.101 -12.101
  315   1HB   LEU  42           HB2      LEU  42  -0.618 -11.758 -11.758
  316   2HB   LEU  42           HB1      LEU  42  -1.469 -10.573 -10.573
  317    HG   LEU  42           HG       LEU  42   1.230  -9.884  -9.884
  318   1HD1  LEU  42          HD13      LEU  42   0.567 -10.890 -10.890
  319   2HD1  LEU  42          HD12      LEU  42   1.708  -9.561  -9.561
  320   3HD1  LEU  42          HD11      LEU  42   2.039 -11.132 -11.132
  321   1HD2  LEU  42          HD22      LEU  42  -1.131  -8.648  -8.648
  322   2HD2  LEU  42          HD21      LEU  42   0.438  -7.853  -7.853
  323   3HD2  LEU  42          HD23      LEU  42  -0.326  -8.520  -8.520
  324    H    ALA  43           HN       ALA  43  -0.748 -12.439 -12.439
  325    HA   ALA  43           HA       ALA  43  -1.171  -9.686  -9.686
  326   1HB   ALA  43           HB3      ALA  43  -1.918 -12.438 -12.438
  327   2HB   ALA  43           HB2      ALA  43  -1.509 -11.482 -11.482
  328   3HB   ALA  43           HB1      ALA  43  -2.778 -10.934 -10.934
  329    HA   PRO  44           HA       PRO  44   2.424 -10.975 -10.975
  330   1HB   PRO  44           HB1      PRO  44   3.663 -13.379 -13.379
  331   2HB   PRO  44           HB2      PRO  44   2.230 -13.185 -13.185
  332   1HG   PRO  44           HG2      PRO  44   2.489 -14.373 -14.373
  333   2HG   PRO  44           HG1      PRO  44   1.281 -14.671 -14.671
  334   1HD   PRO  44           HD2      PRO  44   0.979 -13.080 -13.080
  335   2HD   PRO  44           HD1      PRO  44  -0.158 -13.236 -13.236
  336    H    GLU  45           HN       GLU  45   2.478 -11.350 -11.350
  337    HA   GLU  45           HA       GLU  45   5.421 -11.105 -11.105
  338   1HB   GLU  45           HB2      GLU  45   3.123 -11.177 -11.177
  339   2HB   GLU  45           HB1      GLU  45   4.830 -11.212 -11.212
  340   1HG   GLU  45           HG1      GLU  45   4.638 -13.468 -13.468
  341   2HG   GLU  45           HG2      GLU  45   4.666 -13.225 -13.225
  342    H    TYR  46           HN       TYR  46   2.449  -9.288  -9.288
  343    HA   TYR  46           HA       TYR  46   3.740  -6.891  -6.891
  344   1HB   TYR  46           HB2      TYR  46   1.532  -7.082  -7.082
  345   2HB   TYR  46           HB1      TYR  46   1.054  -7.896  -7.896
  346    HD1  TYR  46           HD1      TYR  46   0.441  -6.660  -6.660
  347    HD2  TYR  46           HD2      TYR  46   1.544  -4.629  -4.629
  348    HE1  TYR  46           HE1      TYR  46  -0.507  -4.547  -4.547
  349    HE2  TYR  46           HE2      TYR  46   0.599  -2.515  -2.515
  350    HH   TYR  46           HH       TYR  46   0.063  -1.508  -1.508
  351    H    ALA  47           HN       ALA  47   3.184  -8.239  -8.239
  352    HA   ALA  47           HA       ALA  47   3.463  -5.653  -5.653
  353   1HB   ALA  47           HB1      ALA  47   1.952  -7.553  -7.553
  354   2HB   ALA  47           HB3      ALA  47   3.397  -8.496  -8.496
  355   3HB   ALA  47           HB2      ALA  47   3.056  -7.024  -7.024
  356    H    LYS  48           HN       LYS  48   5.489  -8.272  -8.272
  357    HA   LYS  48           HA       LYS  48   7.633  -7.893  -7.893
  358   1HB   LYS  48           HB2      LYS  48   6.913  -9.594  -9.594
  359   2HB   LYS  48           HB1      LYS  48   8.563  -9.018  -9.018
  360   1HG   LYS  48           HG2      LYS  48   8.772 -10.997 -10.997
  361   2HG   LYS  48           HG1      LYS  48   8.985  -9.661  -9.661
  362   1HD   LYS  48           HD2      LYS  48   6.441  -9.844  -9.844
  363   2HD   LYS  48           HD1      LYS  48   6.562 -11.415 -11.415
  364   1HE   LYS  48           HE2      LYS  48   7.828 -12.339 -12.339
  365   2HE   LYS  48           HE1      LYS  48   8.488 -10.766 -10.766
  366   1HZ   LYS  48           HZ1      LYS  48   5.628 -11.539 -11.539
  367   2HZ   LYS  48           HZ3      LYS  48   6.737 -11.585 -11.585
  368   3HZ   LYS  48           HZ2      LYS  48   6.340 -10.100 -10.100
  369    H    ALA  49           HN       ALA  49   6.830  -6.552  -6.552
  370    HA   ALA  49           HA       ALA  49   9.365  -5.325  -5.325
  371   1HB   ALA  49           HB1      ALA  49   6.567  -5.261  -5.261
  372   2HB   ALA  49           HB3      ALA  49   7.448  -3.757  -3.757
  373   3HB   ALA  49           HB2      ALA  49   8.060  -5.271  -5.271
  374    H    ALA  50           HN       ALA  50   6.586  -4.341  -4.341
  375    HA   ALA  50           HA       ALA  50   7.303  -1.572  -1.572
  376   1HB   ALA  50           HB2      ALA  50   5.104  -2.842  -2.842
  377   2HB   ALA  50           HB1      ALA  50   5.848  -3.322  -3.322
  378   3HB   ALA  50           HB3      ALA  50   5.576  -1.616  -1.616
  379    H    GLY  51           HN       GLY  51   8.560  -4.512  -4.512
  380   1HA   GLY  51           HA2      GLY  51   9.633  -3.345  -3.345
  381   2HA   GLY  51           HA1      GLY  51  10.102  -4.900  -4.900
  382    H    LYS  52           HN       LYS  52  10.674  -3.518  -3.518
  383    HA   LYS  52           HA       LYS  52  13.476  -3.154  -3.154
  384   1HB   LYS  52           HB2      LYS  52  11.357  -2.517  -2.517
  385   2HB   LYS  52           HB1      LYS  52  12.971  -1.849  -1.849
  386   1HG   LYS  52           HG2      LYS  52  12.636  -4.762  -4.762
  387   2HG   LYS  52           HG1      LYS  52  12.414  -4.205  -4.205
  388   1HD   LYS  52           HD2      LYS  52  14.637  -3.883  -3.883
  389   2HD   LYS  52           HD1      LYS  52  14.814  -3.097  -3.097
  390   1HE   LYS  52           HE2      LYS  52  14.364  -5.673  -5.673
  391   2HE   LYS  52           HE1      LYS  52  15.239  -5.933  -5.933
  392   1HZ   LYS  52           HZ3      LYS  52  16.896  -4.318  -4.318
  393   2HZ   LYS  52           HZ2      LYS  52  16.076  -4.121  -4.121
  394   3HZ   LYS  52           HZ1      LYS  52  16.795  -5.612  -5.612
  395    H    LEU  53           HN       LEU  53  10.809  -0.873  -0.873
  396    HA   LEU  53           HA       LEU  53  12.755   1.374   1.374
  397   1HB   LEU  53           HB1      LEU  53  10.769   2.775   2.775
  398   2HB   LEU  53           HB2      LEU  53  10.888   1.574   1.574
  399    HG   LEU  53           HG       LEU  53   9.408   0.489   0.489
  400   1HD1  LEU  53          HD13      LEU  53   9.051   3.188   3.188
  401   2HD1  LEU  53          HD12      LEU  53   7.828   2.670   2.670
  402   3HD1  LEU  53          HD11      LEU  53   7.795   2.052   2.052
  403   1HD2  LEU  53          HD23      LEU  53   8.909   1.084   1.084
  404   2HD2  LEU  53          HD22      LEU  53   9.142  -0.483  -0.483
  405   3HD2  LEU  53          HD21      LEU  53   7.642   0.411   0.411
  406    H    LYS  54           HN       LYS  54  11.153  -0.888  -0.888
  407    HA   LYS  54           HA       LYS  54  10.024   0.535   0.535
  408   1HB   LYS  54           HB2      LYS  54  10.531  -2.045  -2.045
  409   2HB   LYS  54           HB1      LYS  54  11.834  -1.772  -1.772
  410   1HG   LYS  54           HG2      LYS  54   9.007  -0.933  -0.933
  411   2HG   LYS  54           HG1      LYS  54   9.549  -2.586  -2.586
  412   1HD   LYS  54           HD2      LYS  54  11.569  -0.871  -0.871
  413   2HD   LYS  54           HD1      LYS  54  10.024  -0.243  -0.243
  414   1HE   LYS  54           HE2      LYS  54   9.508  -2.767  -2.767
  415   2HE   LYS  54           HE1      LYS  54  11.276  -2.931  -2.931
  416   1HZ   LYS  54           HZ2      LYS  54  11.383  -0.952  -0.952
  417   2HZ   LYS  54           HZ1      LYS  54   9.692  -1.010  -1.010
  418   3HZ   LYS  54           HZ3      LYS  54  10.639  -2.292  -2.292
  419    H    ALA  55           HN       ALA  55  13.414  -0.226  -0.226
  420    HA   ALA  55           HA       ALA  55  14.320   1.437   1.437
  421   1HB   ALA  55           HB1      ALA  55  15.148  -0.944  -0.944
  422   2HB   ALA  55           HB3      ALA  55  16.016  -0.119  -0.119
  423   3HB   ALA  55           HB2      ALA  55  16.368   0.269   0.269
  424    H    GLU  56           HN       GLU  56  13.061   2.504   2.504
  425    HA   GLU  56           HA       GLU  56  13.360   4.273   4.273
  426   1HB   GLU  56           HB1      GLU  56  15.594   4.652   4.652
  427   2HB   GLU  56           HB2      GLU  56  15.289   5.808   5.808
  428   1HG   GLU  56           HG2      GLU  56  14.003   5.712   5.712
  429   2HG   GLU  56           HG1      GLU  56  13.512   6.667   6.667
  430    H    GLY  57           HN       GLY  57  14.629   1.626   1.626
  431   1HA   GLY  57           HA2      GLY  57  17.205   2.035   2.035
  432   2HA   GLY  57           HA1      GLY  57  16.095   0.719   0.719
  433    H    SER  58           HN       SER  58  13.949   2.783   2.783
  434    HA   SER  58           HA       SER  58  14.985   4.078   4.078
  435   1HB   SER  58           HB2      SER  58  13.844   1.552   1.552
  436   2HB   SER  58           HB1      SER  58  12.471   2.598   2.598
  437    HG   SER  58           HG       SER  58  13.921   3.600   3.600
  438    H    GLU  59           HN       GLU  59  13.065   5.380   5.380
  439    HA   GLU  59           HA       GLU  59  11.572   6.656   6.656
  440   1HB   GLU  59           HB1      GLU  59  11.469   8.573   8.573
  441   2HB   GLU  59           HB2      GLU  59  13.128   8.046   8.046
  442   1HG   GLU  59           HG2      GLU  59  12.859   8.369   8.369
  443   2HG   GLU  59           HG1      GLU  59  12.953   6.633   6.633
  444    H    ILE  60           HN       ILE  60  11.046   4.474   4.474
  445    HA   ILE  60           HA       ILE  60   8.494   5.391   5.391
  446    HB   ILE  60           HB       ILE  60   9.644   2.589   2.589
  447   1HG1  ILE  60          HG11      ILE  60  10.072   3.891   3.891
  448   2HG1  ILE  60          HG12      ILE  60  10.749   4.891   4.891
  449   1HG2  ILE  60          HG22      ILE  60   7.549   3.952   3.952
  450   2HG2  ILE  60          HG21      ILE  60   8.399   2.533   2.533
  451   3HG2  ILE  60          HG23      ILE  60   7.445   2.421   2.421
  452   1HD1  ILE  60          HD12      ILE  60  11.925   2.868   2.868
  453   2HD1  ILE  60          HD11      ILE  60  11.329   1.957   1.957
  454   3HD1  ILE  60          HD13      ILE  60  12.442   3.303   3.303
  455    H    ARG  61           HN       ARG  61   6.483   3.938   3.938
  456    HA   ARG  61           HA       ARG  61   6.310   2.690   2.690
  457   1HB   ARG  61           HB2      ARG  61   5.556   5.441   5.441
  458   2HB   ARG  61           HB1      ARG  61   4.192   4.515   4.515
  459   1HG   ARG  61           HG2      ARG  61   6.255   3.705   3.705
  460   2HG   ARG  61           HG1      ARG  61   6.636   5.406   5.406
  461   1HD   ARG  61           HD2      ARG  61   4.002   5.669   5.669
  462   2HD   ARG  61           HD1      ARG  61   4.298   4.190   4.190
  463    HE   ARG  61           HE       ARG  61   6.082   6.559   6.559
  464   1HH1  ARG  61          HH21      ARG  61   7.145   5.344   5.344
  465   2HH1  ARG  61          HH22      ARG  61   6.031   5.174   5.174
  466   1HH2  ARG  61          HH11      ARG  61   3.231   5.829   5.829
  467   2HH2  ARG  61          HH12      ARG  61   3.816   5.450   5.450
  468    H    LEU  62           HN       LEU  62   4.564   1.254   1.254
  469    HA   LEU  62           HA       LEU  62   3.021   0.886   0.886
  470   1HB   LEU  62           HB1      LEU  62   3.572  -0.923  -0.923
  471   2HB   LEU  62           HB2      LEU  62   2.716  -1.406  -1.406
  472    HG   LEU  62           HG       LEU  62   5.464  -0.194  -0.194
  473   1HD1  LEU  62          HD23      LEU  62   4.968  -2.480  -2.480
  474   2HD1  LEU  62          HD22      LEU  62   5.405  -3.117  -3.117
  475   3HD1  LEU  62          HD21      LEU  62   6.512  -2.043  -2.043
  476   1HD2  LEU  62          HD12      LEU  62   3.739  -2.030  -2.030
  477   2HD2  LEU  62          HD11      LEU  62   4.357  -0.434  -0.434
  478   3HD2  LEU  62          HD13      LEU  62   5.458  -1.808  -1.808
  479    H    ALA  63           HN       ALA  63   0.699   0.182   0.182
  480    HA   ALA  63           HA       ALA  63  -0.572   0.915   0.915
  481   1HB   ALA  63           HB3      ALA  63  -0.083   2.866   2.866
  482   2HB   ALA  63           HB2      ALA  63  -1.753   2.401   2.401
  483   3HB   ALA  63           HB1      ALA  63  -1.295   2.974   2.974
  484    H    LYS  64           HN       LYS  64  -3.056   0.625   0.625
  485    HA   LYS  64           HA       LYS  64  -3.887  -1.067  -1.067
  486   1HB   LYS  64           HB2      LYS  64  -4.485  -2.924  -2.924
  487   2HB   LYS  64           HB1      LYS  64  -2.750  -2.613  -2.613
  488   1HG   LYS  64           HG2      LYS  64  -2.700  -1.743  -1.743
  489   2HG   LYS  64           HG1      LYS  64  -4.339  -1.102  -1.102
  490   1HD   LYS  64           HD2      LYS  64  -4.337  -2.959  -2.959
  491   2HD   LYS  64           HD1      LYS  64  -5.211  -3.447  -3.447
  492   1HE   LYS  64           HE2      LYS  64  -3.228  -4.629  -4.629
  493   2HE   LYS  64           HE1      LYS  64  -2.294  -4.090  -4.090
  494   1HZ   LYS  64           HZ3      LYS  64  -4.832  -5.636  -5.636
  495   2HZ   LYS  64           HZ2      LYS  64  -3.287  -6.323  -6.323
  496   3HZ   LYS  64           HZ1      LYS  64  -3.840  -5.202  -5.202
  497    H    VAL  65           HN       VAL  65  -6.185  -1.262  -1.262
  498    HA   VAL  65           HA       VAL  65  -7.757   0.265   0.265
  499    HB   VAL  65           HB       VAL  65  -7.363   1.770   1.770
  500   1HG1  VAL  65          HG21      VAL  65  -6.674  -0.018  -0.018
  501   2HG1  VAL  65          HG23      VAL  65  -8.375  -0.437  -0.437
  502   3HG1  VAL  65          HG22      VAL  65  -7.792   1.151   1.151
  503   1HG2  VAL  65          HG12      VAL  65 -10.096   0.469   0.469
  504   2HG2  VAL  65          HG11      VAL  65  -9.682   1.750   1.750
  505   3HG2  VAL  65          HG13      VAL  65  -9.661   2.077   2.077
  506    H    ASP  66           HN       ASP  66  -9.793  -0.607  -0.607
  507    HA   ASP  66           HA       ASP  66 -10.301  -3.339  -3.339
  508   1HB   ASP  66           HB2      ASP  66 -11.109  -1.529  -1.529
  509   2HB   ASP  66           HB1      ASP  66 -12.521  -2.307  -2.307
  510    H    ALA  67           HN       ALA  67 -10.755  -3.138  -3.138
  511    HA   ALA  67           HA       ALA  67 -12.278  -1.253  -1.253
  512   1HB   ALA  67           HB3      ALA  67 -10.973  -3.347  -3.347
  513   2HB   ALA  67           HB2      ALA  67 -12.481  -4.223  -4.223
  514   3HB   ALA  67           HB1      ALA  67 -12.414  -2.916  -2.916
  515    H    THR  68           HN       THR  68 -13.445  -3.736  -3.736
  516    HA   THR  68           HA       THR  68 -16.233  -3.550  -3.550
  517    HB   THR  68           HB       THR  68 -16.422  -4.862  -4.862
  518    HG1  THR  68           HG1      THR  68 -14.566  -4.661  -4.661
  519   1HG2  THR  68          HG22      THR  68 -16.421  -5.758  -5.758
  520   2HG2  THR  68          HG21      THR  68 -14.704  -6.084  -6.084
  521   3HG2  THR  68          HG23      THR  68 -15.901  -6.883  -6.883
  522    H    GLU  69           HN       GLU  69 -14.168  -1.950  -1.950
  523    HA   GLU  69           HA       GLU  69 -16.515  -0.670  -0.670
  524   1HB   GLU  69           HB2      GLU  69 -14.231  -1.801  -1.801
  525   2HB   GLU  69           HB1      GLU  69 -13.731  -0.113  -0.113
  526   1HG   GLU  69           HG2      GLU  69 -16.370  -0.860  -0.860
  527   2HG   GLU  69           HG1      GLU  69 -14.880  -0.917  -0.917
  528    H    GLU  70           HN       GLU  70 -13.810  -0.019  -0.019
  529    HA   GLU  70           HA       GLU  70 -14.665   2.856   2.856
  530   1HB   GLU  70           HB2      GLU  70 -11.903   1.610   1.610
  531   2HB   GLU  70           HB1      GLU  70 -12.239   3.325   3.325
  532   1HG   GLU  70           HG2      GLU  70 -12.033   3.565   3.565
  533   2HG   GLU  70           HG1      GLU  70 -13.547   2.679   2.679
  534    H    SER  71           HN       SER  71 -15.669   0.757   0.757
  535    HA   SER  71           HA       SER  71 -14.314   0.408   0.408
  536   1HB   SER  71           HB2      SER  71 -16.252  -0.864  -0.864
  537   2HB   SER  71           HB1      SER  71 -17.178   0.526   0.526
  538    HG   SER  71           HG       SER  71 -17.314  -0.451  -0.451
  539    H    ASP  72           HN       ASP  72 -15.861   3.240   3.240
  540    HA   ASP  72           HA       ASP  72 -16.571   4.715   4.715
  541   1HB   ASP  72           HB1      ASP  72 -15.405   5.396   5.396
  542   2HB   ASP  72           HB2      ASP  72 -15.801   6.668   6.668
  543    H    LEU  73           HN       LEU  73 -13.363   4.360   4.360
  544    HA   LEU  73           HA       LEU  73 -12.041   6.107   6.107
  545   1HB   LEU  73           HB2      LEU  73 -10.946   4.026   4.026
  546   2HB   LEU  73           HB1      LEU  73 -10.033   5.344   5.344
  547    HG   LEU  73           HG       LEU  73 -12.472   6.242   6.242
  548   1HD1  LEU  73          HD13      LEU  73 -11.099   4.201   4.201
  549   2HD1  LEU  73          HD12      LEU  73 -10.423   5.672   5.672
  550   3HD1  LEU  73          HD11      LEU  73 -12.162   5.382   5.382
  551   1HD2  LEU  73          HD21      LEU  73  -9.658   7.038   7.038
  552   2HD2  LEU  73          HD23      LEU  73 -11.114   8.033   8.033
  553   3HD2  LEU  73          HD22      LEU  73 -10.344   7.525   7.525
  554    H    ALA  74           HN       ALA  74 -12.473   2.612   2.612
  555    HA   ALA  74           HA       ALA  74 -10.714   1.842   1.842
  556   1HB   ALA  74           HB1      ALA  74 -12.236   0.659   0.659
  557   2HB   ALA  74           HB3      ALA  74 -12.896   0.010   0.010
  558   3HB   ALA  74           HB2      ALA  74 -11.180  -0.175  -0.175
  559    H    GLN  75           HN       GLN  75 -14.128   2.711   2.711
  560    HA   GLN  75           HA       GLN  75 -14.912   1.790   1.790
  561   1HB   GLN  75           HB2      GLN  75 -16.489   2.189   2.189
  562   2HB   GLN  75           HB1      GLN  75 -16.020   3.887   3.887
  563   1HG   GLN  75           HG2      GLN  75 -16.805   4.154   4.154
  564   2HG   GLN  75           HG1      GLN  75 -17.369   2.483   2.483
  565   1HE2  GLN  75          HE22      GLN  75 -20.160   4.850   4.850
  566   2HE2  GLN  75          HE21      GLN  75 -19.111   4.816   4.816
  567    H    GLN  76           HN       GLN  76 -13.601   4.825   4.825
  568    HA   GLN  76           HA       GLN  76 -14.038   6.421   6.421
  569   1HB   GLN  76           HB2      GLN  76 -12.903   6.623   6.623
  570   2HB   GLN  76           HB1      GLN  76 -11.706   7.221   7.221
  571   1HG   GLN  76           HG2      GLN  76 -12.947   9.052   9.052
  572   2HG   GLN  76           HG1      GLN  76 -14.446   8.126   8.126
  573   1HE2  GLN  76          HE22      GLN  76 -15.277   8.751   8.751
  574   2HE2  GLN  76          HE21      GLN  76 -15.587   7.756   7.756
  575    H    TYR  77           HN       TYR  77 -11.395   4.320   4.320
  576    HA   TYR  77           HA       TYR  77  -9.627   5.023   5.023
  577   1HB   TYR  77           HB2      TYR  77  -9.731   2.971   2.971
  578   2HB   TYR  77           HB1      TYR  77  -8.495   2.868   2.868
  579    HD1  TYR  77           HD2      TYR  77  -7.737   5.559   5.559
  580    HD2  TYR  77           HD1      TYR  77  -8.805   3.858   3.858
  581    HE1  TYR  77           HE2      TYR  77  -6.414   7.309   7.309
  582    HE2  TYR  77           HE1      TYR  77  -7.483   5.608   5.608
  583    HH   TYR  77           HH       TYR  77  -5.526   7.111   7.111
  584    H    GLY  78           HN       GLY  78 -12.269   2.809   2.809
  585   1HA   GLY  78           HA1      GLY  78 -13.319   1.413   1.413
  586   2HA   GLY  78           HA2      GLY  78 -12.148   1.966   1.966
  587    H    VAL  79           HN       VAL  79 -11.362   0.506   0.506
  588    HA   VAL  79           HA       VAL  79  -9.393  -1.258  -1.258
  589    HB   VAL  79           HB       VAL  79  -9.663  -2.337  -2.337
  590   1HG1  VAL  79          HG22      VAL  79  -8.852   0.150   0.150
  591   2HG1  VAL  79          HG21      VAL  79 -10.329   0.540   0.540
  592   3HG1  VAL  79          HG23      VAL  79  -9.096  -0.473  -0.473
  593   1HG2  VAL  79          HG13      VAL  79 -12.284  -0.814  -0.814
  594   2HG2  VAL  79          HG12      VAL  79 -12.078  -2.566  -2.566
  595   3HG2  VAL  79          HG11      VAL  79 -11.573  -1.596  -1.596
  596    H    ARG  80           HN       ARG  80  -9.508  -3.639  -3.639
  597    HA   ARG  80           HA       ARG  80 -12.173  -4.545  -4.545
  598   1HB   ARG  80           HB2      ARG  80  -9.329  -4.837  -4.837
  599   2HB   ARG  80           HB1      ARG  80 -10.399  -6.207  -6.207
  600   1HG   ARG  80           HG2      ARG  80 -11.976  -4.137  -4.137
  601   2HG   ARG  80           HG1      ARG  80 -10.376  -3.523  -3.523
  602   1HD   ARG  80           HD2      ARG  80 -10.884  -6.369  -6.369
  603   2HD   ARG  80           HD1      ARG  80 -11.774  -5.157  -5.157
  604    HE   ARG  80           HE       ARG  80  -9.187  -4.146  -4.146
  605   1HH1  ARG  80          HH21      ARG  80  -7.680  -6.430  -6.430
  606   2HH1  ARG  80          HH22      ARG  80  -7.799  -7.059  -7.059
  607   1HH2  ARG  80          HH11      ARG  80 -10.638  -5.232  -5.232
  608   2HH2  ARG  80          HH12      ARG  80  -9.474  -6.380  -6.380
  609    H    GLY  81           HN       GLY  81 -12.145  -4.917  -4.917
  610   1HA   GLY  81           HA1      GLY  81 -12.636  -6.830  -6.830
  611   2HA   GLY  81           HA2      GLY  81 -11.637  -7.821  -7.821
  612    H    TYR  82           HN       TYR  82 -10.862  -8.448  -8.448
  613    HA   TYR  82           HA       TYR  82  -8.634  -6.600  -6.600
  614   1HB   TYR  82           HB2      TYR  82 -10.102  -8.606  -8.606
  615   2HB   TYR  82           HB1      TYR  82  -9.034  -7.312  -7.312
  616    HD1  TYR  82           HD1      TYR  82 -10.081  -5.135  -5.135
  617    HD2  TYR  82           HD2      TYR  82 -12.094  -7.983  -7.983
  618    HE1  TYR  82           HE1      TYR  82 -12.039  -3.620  -3.620
  619    HE2  TYR  82           HE2      TYR  82 -14.053  -6.467  -6.467
  620    HH   TYR  82           HH       TYR  82 -14.658  -4.043  -4.043
  621    HA   PRO  83           HA       PRO  83  -7.243  -6.833  -6.833
  622   1HB   PRO  83           HB1      PRO  83  -4.546  -7.053  -7.053
  623   2HB   PRO  83           HB2      PRO  83  -5.724  -7.961  -7.961
  624   1HG   PRO  83           HG2      PRO  83  -3.894  -8.900  -8.900
  625   2HG   PRO  83           HG1      PRO  83  -4.742  -9.815  -9.815
  626   1HD   PRO  83           HD2      PRO  83  -5.421  -9.528  -9.528
  627   2HD   PRO  83           HD1      PRO  83  -6.224 -10.515 -10.515
  628    H    THR  84           HN       THR  84  -6.736  -4.749  -4.749
  629    HA   THR  84           HA       THR  84  -5.295  -4.597  -4.597
  630    HB   THR  84           HB       THR  84  -6.861  -2.316  -2.316
  631    HG1  THR  84           HG1      THR  84  -8.765  -3.280  -3.280
  632   1HG2  THR  84          HG21      THR  84  -6.252  -3.553  -3.553
  633   2HG2  THR  84          HG23      THR  84  -7.707  -2.570  -2.570
  634   3HG2  THR  84          HG22      THR  84  -6.127  -1.868  -1.868
  635    H    ILE  85           HN       ILE  85  -3.161  -4.077  -4.077
  636    HA   ILE  85           HA       ILE  85  -2.467  -2.279  -2.279
  637    HB   ILE  85           HB       ILE  85  -0.827  -4.039  -4.039
  638   1HG1  ILE  85          HG12      ILE  85  -0.563  -5.212  -5.212
  639   2HG1  ILE  85          HG11      ILE  85  -2.088  -4.396  -4.396
  640   1HG2  ILE  85          HG23      ILE  85  -0.066  -2.440  -2.440
  641   2HG2  ILE  85          HG22      ILE  85   0.964  -3.665  -3.665
  642   3HG2  ILE  85          HG21      ILE  85   0.541  -2.208  -2.208
  643   1HD1  ILE  85          HD13      ILE  85  -1.798  -5.916  -5.916
  644   2HD1  ILE  85          HD12      ILE  85  -2.087  -6.809  -6.809
  645   3HD1  ILE  85          HD11      ILE  85  -3.250  -5.599  -5.599
  646    H    LYS  86           HN       LYS  86  -2.077  -0.155  -0.155
  647    HA   LYS  86           HA       LYS  86  -1.106   0.586   0.586
  648   1HB   LYS  86           HB2      LYS  86  -3.490   1.322   1.322
  649   2HB   LYS  86           HB1      LYS  86  -2.542   2.749   2.749
  650   1HG   LYS  86           HG2      LYS  86  -2.404   1.555   1.555
  651   2HG   LYS  86           HG1      LYS  86  -3.875   0.760   0.760
  652   1HD   LYS  86           HD2      LYS  86  -3.896   3.629   3.629
  653   2HD   LYS  86           HD1      LYS  86  -3.727   3.286   3.286
  654   1HE   LYS  86           HE1      LYS  86  -5.761   1.699   1.699
  655   2HE   LYS  86           HE2      LYS  86  -6.141   3.391   3.391
  656   1HZ   LYS  86           HZ1      LYS  86  -5.353   2.902   2.902
  657   2HZ   LYS  86           HZ3      LYS  86  -5.325   1.257   1.257
  658   3HZ   LYS  86           HZ2      LYS  86  -6.792   2.113   2.113
  659    H    PHE  87           HN       PHE  87   0.692   1.946   1.946
  660    HA   PHE  87           HA       PHE  87   1.798   2.663   2.663
  661   1HB   PHE  87           HB2      PHE  87   3.223   1.509   1.509
  662   2HB   PHE  87           HB1      PHE  87   2.875   2.718   2.718
  663    HD1  PHE  87           HD1      PHE  87   3.602   3.219   3.219
  664    HD2  PHE  87           HD2      PHE  87   4.957   3.758   3.758
  665    HE1  PHE  87           HE1      PHE  87   5.483   4.612   4.612
  666    HE2  PHE  87           HE2      PHE  87   6.839   5.151   5.151
  667    HZ   PHE  87           HZ       PHE  87   7.101   5.579   5.579
  668    H    PHE  88           HN       PHE  88   1.768   4.722   4.722
  669    HA   PHE  88           HA       PHE  88   1.042   6.934   6.934
  670   1HB   PHE  88           HB1      PHE  88   0.241   6.228   6.228
  671   2HB   PHE  88           HB2      PHE  88   0.058   7.870   7.870
  672    HD1  PHE  88           HD2      PHE  88  -1.349   8.278   8.278
  673    HD2  PHE  88           HD1      PHE  88  -1.230   4.488   4.488
  674    HE1  PHE  88           HE2      PHE  88  -3.433   7.599   7.599
  675    HE2  PHE  88           HE1      PHE  88  -3.310   3.806   3.806
  676    HZ   PHE  88           HZ       PHE  88  -4.415   5.361   5.361
  677    H    ARG  89           HN       ARG  89   1.868   9.100   9.100
  678    HA   ARG  89           HA       ARG  89   4.182   9.001   9.001
  679   1HB   ARG  89           HB1      ARG  89   5.142   8.387   8.387
  680   2HB   ARG  89           HB2      ARG  89   4.292   9.700   9.700
  681   1HG   ARG  89           HG2      ARG  89   6.109  10.389  10.389
  682   2HG   ARG  89           HG1      ARG  89   6.839   9.959   9.959
  683   1HD   ARG  89           HD2      ARG  89   4.769  11.701  11.701
  684   2HD   ARG  89           HD1      ARG  89   5.471  12.424  12.424
  685    HE   ARG  89           HE       ARG  89   7.661  11.589  11.589
  686   1HH1  ARG  89          HH11      ARG  89   5.252  12.597  12.597
  687   2HH1  ARG  89          HH12      ARG  89   5.905  14.144  14.144
  688   1HH2  ARG  89          HH21      ARG  89   8.390  14.057  14.057
  689   2HH2  ARG  89          HH22      ARG  89   7.681  14.969  14.969
  690    H    ASN  90           HN       ASN  90   3.964  10.780  10.780
  691    HA   ASN  90           HA       ASN  90   3.305  12.930  12.930
  692   1HB   ASN  90           HB1      ASN  90   5.134  13.378  13.378
  693   2HB   ASN  90           HB2      ASN  90   3.934  13.493  13.493
  694   1HD2  ASN  90          HD22      ASN  90   3.620  16.392  16.392
  695   2HD2  ASN  90          HD21      ASN  90   3.859  14.777  14.777
  696    H    GLY  91           HN       GLY  91   1.150  11.194  11.194
  697   1HA   GLY  91           HA2      GLY  91  -1.117  11.325  11.325
  698   2HA   GLY  91           HA1      GLY  91  -1.006  13.015  13.015
  699    H    ASP  92           HN       ASP  92  -0.524  10.807  10.807
  700    HA   ASP  92           HA       ASP  92  -0.272  13.047  13.047
  701   1HB   ASP  92           HB2      ASP  92   0.543  10.365  10.365
  702   2HB   ASP  92           HB1      ASP  92  -0.656  10.383  10.383
  703    H    THR  93           HN       THR  93  -2.448  10.207  10.207
  704    HA   THR  93           HA       THR  93  -4.692   9.936   9.936
  705    HB   THR  93           HB       THR  93  -5.353  12.774  12.774
  706    HG1  THR  93           HG1      THR  93  -4.681  12.881  12.881
  707   1HG2  THR  93          HG23      THR  93  -6.095  10.130  10.130
  708   2HG2  THR  93          HG22      THR  93  -6.645  11.641  11.641
  709   3HG2  THR  93          HG21      THR  93  -7.102  11.241  11.241
  710    H    ALA  94           HN       ALA  94  -2.794  10.555  10.555
  711    HA   ALA  94           HA       ALA  94  -4.690  11.577  11.577
  712   1HB   ALA  94           HB3      ALA  94  -2.092  12.943  12.943
  713   2HB   ALA  94           HB2      ALA  94  -2.994  13.308  13.308
  714   3HB   ALA  94           HB1      ALA  94  -3.717  13.621  13.621
  715    H    SER  95           HN       SER  95  -1.263  10.743  10.743
  716    HA   SER  95           HA       SER  95  -1.397   8.984   8.984
  717   1HB   SER  95           HB1      SER  95  -0.167  11.345  11.345
  718   2HB   SER  95           HB2      SER  95   1.115  10.427  10.427
  719    HG   SER  95           HG       SER  95   1.598   9.803   9.803
  720    HA   PRO  96           HA       PRO  96   0.386   6.967   6.967
  721   1HB   PRO  96           HB1      PRO  96  -1.584   5.105   5.105
  722   2HB   PRO  96           HB2      PRO  96  -1.615   6.714   6.714
  723   1HG   PRO  96           HG2      PRO  96  -3.053   5.703   5.703
  724   2HG   PRO  96           HG1      PRO  96  -3.622   6.788   6.788
  725   1HD   PRO  96           HD1      PRO  96  -2.822   7.657   7.657
  726   2HD   PRO  96           HD2      PRO  96  -2.705   8.639   8.639
  727    H    LYS  97           HN       LYS  97   1.235   4.725   4.725
  728    HA   LYS  97           HA       LYS  97   1.372   3.558   3.558
  729   1HB   LYS  97           HB1      LYS  97   3.099   3.579   3.579
  730   2HB   LYS  97           HB2      LYS  97   3.348   2.352   2.352
  731   1HG   LYS  97           HG2      LYS  97   3.198   5.292   5.292
  732   2HG   LYS  97           HG1      LYS  97   4.718   4.524   4.524
  733   1HD   LYS  97           HD2      LYS  97   4.949   3.829   3.829
  734   2HD   LYS  97           HD1      LYS  97   3.528   2.806   2.806
  735   1HE   LYS  97           HE2      LYS  97   2.078   4.756   4.756
  736   2HE   LYS  97           HE1      LYS  97   3.548   5.681   5.681
  737   1HZ   LYS  97           HZ3      LYS  97   3.068   2.990   2.990
  738   2HZ   LYS  97           HZ2      LYS  97   2.509   4.393   4.393
  739   3HZ   LYS  97           HZ1      LYS  97   4.172   4.167   4.167
  740    H    GLU  98           HN       GLU  98   1.723   1.055   1.055
  741    HA   GLU  98           HA       GLU  98  -0.273  -0.106  -0.106
  742   1HB   GLU  98           HB2      GLU  98  -1.051   0.072   0.072
  743   2HB   GLU  98           HB1      GLU  98   0.357  -0.849  -0.849
  744   1HG   GLU  98           HG1      GLU  98  -1.416  -2.438  -2.438
  745   2HG   GLU  98           HG2      GLU  98  -0.423  -2.688  -2.688
  746    H    TYR  99           HN       TYR  99   0.740  -1.479  -1.479
  747    HA   TYR  99           HA       TYR  99   3.431  -2.404  -2.404
  748   1HB   TYR  99           HB2      TYR  99   2.186  -2.187  -2.187
  749   2HB   TYR  99           HB1      TYR  99   1.056  -3.436  -3.436
  750    HD1  TYR  99           HD2      TYR  99   4.777  -3.311  -3.311
  751    HD2  TYR  99           HD1      TYR  99   1.416  -5.223  -5.223
  752    HE1  TYR  99           HE2      TYR  99   6.281  -5.058  -5.058
  753    HE2  TYR  99           HE1      TYR  99   2.922  -6.965  -6.965
  754    HH   TYR  99           HH       TYR  99   5.016  -7.892  -7.892
  755    H    THR 100           HN       THR 100   4.228  -4.053  -4.053
  756    HA   THR 100           HA       THR 100   2.504  -6.392  -6.392
  757    HB   THR 100           HB       THR 100   2.074  -4.708  -4.708
  758    HG1  THR 100           HG1      THR 100   2.374  -7.033  -7.033
  759   1HG2  THR 100          HG21      THR 100   4.513  -3.771  -3.771
  760   2HG2  THR 100          HG23      THR 100   4.927  -4.911  -4.911
  761   3HG2  THR 100          HG22      THR 100   3.749  -3.634  -3.634
  762    H    ALA 101           HN       ALA 101   4.671  -6.503  -6.503
  763    HA   ALA 101           HA       ALA 101   7.065  -7.284  -7.284
  764   1HB   ALA 101           HB2      ALA 101   6.373  -7.044  -7.044
  765   2HB   ALA 101           HB1      ALA 101   7.944  -7.608  -7.608
  766   3HB   ALA 101           HB3      ALA 101   7.403  -5.972  -5.972
  767    H    GLY 102           HN       GLY 102   5.588  -8.863  -8.863
  768   1HA   GLY 102           HA2      GLY 102   5.120 -11.338 -11.338
  769   2HA   GLY 102           HA1      GLY 102   6.362 -11.440 -11.440
  770    H    ARG 103           HN       ARG 103   5.699 -11.788 -11.788
  771    HA   ARG 103           HA       ARG 103   3.086 -10.936 -10.936
  772   1HB   ARG 103           HB2      ARG 103   3.229 -13.287 -13.287
  773   2HB   ARG 103           HB1      ARG 103   3.188 -13.843 -13.843
  774   1HG   ARG 103           HG2      ARG 103   1.293 -11.874 -11.874
  775   2HG   ARG 103           HG1      ARG 103   1.098 -12.486 -12.486
  776   1HD   ARG 103           HD2      ARG 103   1.300 -14.835 -14.835
  777   2HD   ARG 103           HD1      ARG 103   0.511 -13.819 -13.819
  778    HE   ARG 103           HE       ARG 103  -1.082 -13.168 -13.168
  779   1HH1  ARG 103          HH11      ARG 103  -0.204 -14.743 -14.743
  780   2HH1  ARG 103          HH12      ARG 103  -1.031 -16.255 -16.255
  781   1HH2  ARG 103          HH21      ARG 103  -1.826 -15.742 -15.742
  782   2HH2  ARG 103          HH22      ARG 103  -1.950 -16.822 -16.822
  783    H    GLU 104           HN       GLU 104   5.598 -10.436 -10.436
  784    HA   GLU 104           HA       GLU 104   5.394 -11.787 -11.787
  785   1HB   GLU 104           HB2      GLU 104   7.765 -12.551 -12.551
  786   2HB   GLU 104           HB1      GLU 104   6.748 -13.325 -13.325
  787   1HG   GLU 104           HG1      GLU 104   7.516 -11.227 -11.227
  788   2HG   GLU 104           HG2      GLU 104   8.886 -11.263 -11.263
  789    H    ALA 105           HN       ALA 105   6.685 -10.681 -10.681
  790    HA   ALA 105           HA       ALA 105   6.693  -7.916  -7.916
  791   1HB   ALA 105           HB1      ALA 105   7.428  -9.914  -9.914
  792   2HB   ALA 105           HB3      ALA 105   9.021  -9.274  -9.274
  793   3HB   ALA 105           HB2      ALA 105   7.807  -8.222  -8.222
  794    H    ASP 106           HN       ASP 106   9.370  -9.972  -9.972
  795    HA   ASP 106           HA       ASP 106  11.258  -7.890  -7.890
  796   1HB   ASP 106           HB2      ASP 106  10.739 -10.651 -10.651
  797   2HB   ASP 106           HB1      ASP 106  12.017  -9.675  -9.675
  798    H    ASP 107           HN       ASP 107   8.979  -9.404  -9.404
  799    HA   ASP 107           HA       ASP 107   9.598  -7.911  -7.911
  800   1HB   ASP 107           HB2      ASP 107   7.143  -9.220  -9.220
  801   2HB   ASP 107           HB1      ASP 107   7.015  -8.306  -8.306
  802    H    ILE 108           HN       ILE 108   7.449  -7.023  -7.023
  803    HA   ILE 108           HA       ILE 108   6.435  -4.598  -4.598
  804    HB   ILE 108           HB       ILE 108   6.901  -5.491  -5.491
  805   1HG1  ILE 108          HG12      ILE 108   4.362  -5.509  -5.509
  806   2HG1  ILE 108          HG11      ILE 108   5.430  -6.907  -6.907
  807   1HG2  ILE 108          HG22      ILE 108   5.810  -3.015  -3.015
  808   2HG2  ILE 108          HG21      ILE 108   4.732  -3.793  -3.793
  809   3HG2  ILE 108          HG23      ILE 108   6.366  -3.336  -3.336
  810   1HD1  ILE 108          HD11      ILE 108   4.134  -5.472  -5.472
  811   2HD1  ILE 108          HD13      ILE 108   3.566  -6.990  -6.990
  812   3HD1  ILE 108          HD12      ILE 108   5.142  -6.918  -6.918
  813    H    VAL 109           HN       VAL 109   9.183  -5.200  -5.200
  814    HA   VAL 109           HA       VAL 109  10.044  -2.429  -2.429
  815    HB   VAL 109           HB       VAL 109  11.401  -5.067  -5.067
  816   1HG1  VAL 109          HG22      VAL 109  12.572  -2.531  -2.531
  817   2HG1  VAL 109          HG21      VAL 109  12.378  -2.733  -2.733
  818   3HG1  VAL 109          HG23      VAL 109  13.283  -3.927  -3.927
  819   1HG2  VAL 109          HG11      VAL 109   9.568  -3.215  -3.215
  820   2HG2  VAL 109          HG13      VAL 109   9.789  -4.954  -4.954
  821   3HG2  VAL 109          HG12      VAL 109  10.929  -3.829  -3.829
  822    H    ASN 110           HN       ASN 110  10.871  -5.297  -5.297
  823    HA   ASN 110           HA       ASN 110  13.148  -4.215  -4.215
  824   1HB   ASN 110           HB2      ASN 110  12.036  -6.626  -6.626
  825   2HB   ASN 110           HB1      ASN 110  11.260  -6.172  -6.172
  826   1HD2  ASN 110          HD22      ASN 110  14.701  -7.790  -7.790
  827   2HD2  ASN 110          HD21      ASN 110  13.416  -8.226  -8.226
  828    H    TRP 111           HN       TRP 111   9.705  -4.435  -4.435
  829    HA   TRP 111           HA       TRP 111   9.887  -3.129  -3.129
  830   1HB   TRP 111           HB1      TRP 111   7.981  -4.426  -4.426
  831   2HB   TRP 111           HB2      TRP 111   7.539  -2.811  -2.811
  832    HD1  TRP 111           HD1      TRP 111   8.029  -4.813  -4.813
  833    HE1  TRP 111           HE1      TRP 111   6.602  -3.721  -3.721
  834    HE3  TRP 111           HE3      TRP 111   6.308  -0.715  -0.715
  835    HZ2  TRP 111           HZ2      TRP 111   4.950  -1.415  -1.415
  836    HZ3  TRP 111           HZ3      TRP 111   4.811   0.910   0.910
  837    HH2  TRP 111           HH2      TRP 111   4.130   0.566   0.566
  838    H    LEU 112           HN       LEU 112   9.653  -1.890  -1.890
  839    HA   LEU 112           HA       LEU 112   9.191   0.885   0.885
  840   1HB   LEU 112           HB2      LEU 112  10.005  -0.603  -0.603
  841   2HB   LEU 112           HB1      LEU 112   9.866   1.154   1.154
  842    HG   LEU 112           HG       LEU 112   7.613  -0.580  -0.580
  843   1HD1  LEU 112          HD11      LEU 112   8.464  -1.078  -1.078
  844   2HD1  LEU 112          HD13      LEU 112   7.674   0.455   0.455
  845   3HD1  LEU 112          HD12      LEU 112   6.738  -0.879  -0.879
  846   1HD2  LEU 112          HD23      LEU 112   7.714   1.917   1.917
  847   2HD2  LEU 112          HD22      LEU 112   6.288   1.379   1.379
  848   3HD2  LEU 112          HD21      LEU 112   7.625   2.140   2.140
  849    H    LYS 113           HN       LYS 113  12.018  -0.890  -0.890
  850    HA   LYS 113           HA       LYS 113  13.842   1.330   1.330
  851   1HB   LYS 113           HB2      LYS 113  14.273  -1.658  -1.658
  852   2HB   LYS 113           HB1      LYS 113  15.496  -0.416  -0.416
  853   1HG   LYS 113           HG2      LYS 113  12.872  -0.224  -0.224
  854   2HG   LYS 113           HG1      LYS 113  14.099  -1.345  -1.345
  855   1HD   LYS 113           HD2      LYS 113  14.681   1.561   1.561
  856   2HD   LYS 113           HD1      LYS 113  14.173   0.997   0.997
  857   1HE   LYS 113           HE2      LYS 113  16.614  -0.028  -0.028
  858   2HE   LYS 113           HE1      LYS 113  16.651   1.121   1.121
  859   1HZ   LYS 113           HZ3      LYS 113  15.205  -0.633  -0.633
  860   2HZ   LYS 113           HZ2      LYS 113  15.805  -1.707  -1.707
  861   3HZ   LYS 113           HZ1      LYS 113  16.873  -0.914  -0.914
  862    H    LYS 114           HN       LYS 114  12.495  -0.885  -0.885
  863    HA   LYS 114           HA       LYS 114  14.548  -1.459  -1.459
  864   1HB   LYS 114           HB2      LYS 114  11.947  -1.908  -1.908
  865   2HB   LYS 114           HB1      LYS 114  11.865  -0.458  -0.458
  866   1HG   LYS 114           HG2      LYS 114  13.580  -1.533  -1.533
  867   2HG   LYS 114           HG1      LYS 114  13.360  -3.021  -3.021
  868   1HD   LYS 114           HD2      LYS 114  11.051  -3.169  -3.169
  869   2HD   LYS 114           HD1      LYS 114  11.052  -1.532  -1.532
  870   1HE   LYS 114           HE2      LYS 114  13.108  -2.812  -2.812
  871   2HE   LYS 114           HE1      LYS 114  11.814  -4.024  -4.024
  872   1HZ   LYS 114           HZ3      LYS 114  10.276  -2.087  -2.087
  873   2HZ   LYS 114           HZ2      LYS 114  11.675  -1.259  -1.259
  874   3HZ   LYS 114           HZ1      LYS 114  11.223  -2.702  -2.702
  875    H    ARG 115           HN       ARG 115  12.958   1.601   1.601
  876    HA   ARG 115           HA       ARG 115  14.988   3.018   3.018
  877   1HB   ARG 115           HB2      ARG 115  13.180   4.219   4.219
  878   2HB   ARG 115           HB1      ARG 115  13.183   2.488   2.488
  879   1HG   ARG 115           HG2      ARG 115  11.225   2.115   2.115
  880   2HG   ARG 115           HG1      ARG 115  11.514   3.449   3.449
  881   1HD   ARG 115           HD2      ARG 115   9.964   4.567   4.567
  882   2HD   ARG 115           HD1      ARG 115  11.276   4.751   4.751
  883    HE   ARG 115           HE       ARG 115  10.377   2.271   2.271
  884   1HH1  ARG 115          HH21      ARG 115   9.359   5.350   5.350
  885   2HH1  ARG 115          HH22      ARG 115   7.730   4.938   4.938
  886   1HH2  ARG 115          HH11      ARG 115   7.991   1.663   1.663
  887   2HH2  ARG 115          HH12      ARG 115   6.955   2.852   2.852
  888    H    THR 116           HN       THR 116  14.061   2.750   2.750
  889    HA   THR 116           HA       THR 116  13.680   4.154   4.154
  890    HB   THR 116           HB       THR 116  14.572   6.550   6.550
  891    HG1  THR 116           HG1      THR 116  16.136   4.184   4.184
  892   1HG2  THR 116          HG21      THR 116  15.530   4.945   4.945
  893   2HG2  THR 116          HG23      THR 116  16.338   6.407   6.407
  894   3HG2  THR 116          HG22      THR 116  14.677   6.489   6.489
  895    H    GLY 117           HN       GLY 117  11.318   4.036   4.036
  896   1HA   GLY 117           HA2      GLY 117   9.235   5.150   5.150
  897   2HA   GLY 117           HA1      GLY 117  10.105   6.650   6.650
  898    HA   PRO 118           HA       PRO 118   7.840   5.476   5.476
  899   1HB   PRO 118           HB1      PRO 118   6.793   7.961   7.961
  900   2HB   PRO 118           HB2      PRO 118   5.995   6.753   6.753
  901   1HG   PRO 118           HG2      PRO 118   7.620   9.126   9.126
  902   2HG   PRO 118           HG1      PRO 118   6.174   8.453   8.453
  903   1HD   PRO 118           HD2      PRO 118   8.721   8.077   8.077
  904   2HD   PRO 118           HD1      PRO 118   7.380   6.951   6.951
  905    H    ALA 119           HN       ALA 119   9.823   8.286   8.286
  906    HA   ALA 119           HA       ALA 119  11.442   9.466   9.466
  907   1HB   ALA 119           HB3      ALA 119  12.059   6.894   6.894
  908   2HB   ALA 119           HB2      ALA 119  11.695   6.979   6.979
  909   3HB   ALA 119           HB1      ALA 119  12.966   7.992   7.992
  910    H    ALA 120           HN       ALA 120  12.125   9.708   9.708
  911    HA   ALA 120           HA       ALA 120   9.552  10.022  10.022
  912   1HB   ALA 120           HB1      ALA 120  12.039  11.756  11.756
  913   2HB   ALA 120           HB3      ALA 120  10.697  12.050  12.050
  914   3HB   ALA 120           HB2      ALA 120  10.442  12.149  12.149

  Start of MODEL   26
    1   1H    ASP   1           HT2      ASP   1 -14.669  -0.083  -0.083
    2   2H    ASP   1           HT1      ASP   1 -15.998   0.830   0.830
    3   3H    ASP   1           HT3      ASP   1 -15.473  -0.513  -0.513
    4    HA   ASP   1           HA       ASP   1 -14.632   1.327   1.327
    5   1HB   ASP   1           HB1      ASP   1 -13.565   3.179   3.179
    6   2HB   ASP   1           HB2      ASP   1 -15.210   2.890   2.890
    7    H    ALA   2           HN       ALA   2 -12.015   2.276   2.276
    8    HA   ALA   2           HA       ALA   2 -10.330   0.005   0.005
    9   1HB   ALA   2           HB2      ALA   2 -11.272  -0.366  -0.366
   10   2HB   ALA   2           HB1      ALA   2 -10.238   0.973   0.973
   11   3HB   ALA   2           HB3      ALA   2  -9.522  -0.491  -0.491
   12    HA   PRO   3           HA       PRO   3  -8.002   3.783   3.783
   13   1HB   PRO   3           HB2      PRO   3  -5.925   2.606   2.606
   14   2HB   PRO   3           HB1      PRO   3  -7.489   2.957   2.957
   15   1HG   PRO   3           HG2      PRO   3  -6.427   0.388   0.388
   16   2HG   PRO   3           HG1      PRO   3  -7.400   0.688   0.688
   17   1HD   PRO   3           HD2      PRO   3  -8.434  -0.284  -0.284
   18   2HD   PRO   3           HD1      PRO   3  -9.371   0.668   0.668
   19    H    GLU   4           HN       GLU   4  -6.372   4.732   4.732
   20    HA   GLU   4           HA       GLU   4  -5.377   3.564   3.564
   21   1HB   GLU   4           HB1      GLU   4  -3.854   5.481   5.481
   22   2HB   GLU   4           HB2      GLU   4  -5.421   5.980   5.980
   23   1HG   GLU   4           HG2      GLU   4  -2.873   6.165   6.165
   24   2HG   GLU   4           HG1      GLU   4  -4.447   6.636   6.636
   25    H    GLU   5           HN       GLU   5  -3.053   3.065   3.065
   26    HA   GLU   5           HA       GLU   5  -1.123   1.767   1.767
   27   1HB   GLU   5           HB2      GLU   5  -1.568   3.303   3.303
   28   2HB   GLU   5           HB1      GLU   5  -0.426   1.963   1.963
   29   1HG   GLU   5           HG1      GLU   5   0.899   2.860   2.860
   30   2HG   GLU   5           HG2      GLU   5  -0.312   4.098   4.098
   31    H    GLU   6           HN       GLU   6  -1.002  -0.440  -0.440
   32    HA   GLU   6           HA       GLU   6  -2.254  -1.878  -1.878
   33   1HB   GLU   6           HB1      GLU   6  -3.106  -1.782  -1.782
   34   2HB   GLU   6           HB2      GLU   6  -3.112  -3.370  -3.370
   35   1HG   GLU   6           HG2      GLU   6  -4.482  -2.473  -2.473
   36   2HG   GLU   6           HG1      GLU   6  -4.476  -0.888  -0.888
   37    H    ASP   7           HN       ASP   7  -0.850  -3.459  -3.459
   38    HA   ASP   7           HA       ASP   7   1.017  -4.913  -4.913
   39   1HB   ASP   7           HB2      ASP   7   0.892  -6.495  -6.495
   40   2HB   ASP   7           HB1      ASP   7  -0.085  -5.354  -5.354
   41    H    HIS   8           HN       HIS   8   2.170  -2.565  -2.565
   42    HA   HIS   8           HA       HIS   8   4.022  -1.411  -1.411
   43   1HB   HIS   8           HB2      HIS   8   4.357  -4.276  -4.276
   44   2HB   HIS   8           HB1      HIS   8   5.188  -3.424  -3.424
   45    HD1  HIS   8           HD1      HIS   8   5.137  -3.788  -3.788
   46    HD2  HIS   8           HD2      HIS   8   7.386  -1.833  -1.833
   47    HE1  HIS   8           HE1      HIS   8   7.204  -2.903  -2.903
   48    H    VAL   9           HN       VAL   9   1.414  -1.875  -1.875
   49    HA   VAL   9           HA       VAL   9   2.613  -0.924  -0.924
   50    HB   VAL   9           HB       VAL   9   0.222  -2.763  -2.763
   51   1HG1  VAL   9          HG12      VAL   9   1.586  -1.483  -1.483
   52   2HG1  VAL   9          HG11      VAL   9   0.902  -3.095  -3.095
   53   3HG1  VAL   9          HG13      VAL   9  -0.133  -1.752  -1.752
   54   1HG2  VAL   9          HG23      VAL   9   3.069  -3.307  -3.307
   55   2HG2  VAL   9          HG22      VAL   9   1.728  -4.425  -4.425
   56   3HG2  VAL   9          HG21      VAL   9   2.290  -4.067  -4.067
   57    H    LEU  10           HN       LEU  10   0.785   0.228   0.228
   58    HA   LEU  10           HA       LEU  10  -0.704   1.963   1.963
   59   1HB   LEU  10           HB2      LEU  10   0.760   2.317   2.317
   60   2HB   LEU  10           HB1      LEU  10  -0.857   2.973   2.973
   61    HG   LEU  10           HG       LEU  10   0.192   3.677   3.677
   62   1HD1  LEU  10          HD13      LEU  10   2.007   4.072   4.072
   63   2HD1  LEU  10          HD12      LEU  10   1.971   5.272   5.272
   64   3HD1  LEU  10          HD11      LEU  10   2.422   3.605   3.605
   65   1HD2  LEU  10          HD22      LEU  10  -1.569   4.755   4.755
   66   2HD2  LEU  10          HD21      LEU  10  -0.546   5.817   5.817
   67   3HD2  LEU  10          HD23      LEU  10  -0.176   5.546   5.546
   68    H    VAL  11           HN       VAL  11  -2.682   2.935   2.935
   69    HA   VAL  11           HA       VAL  11  -4.255   1.149   1.149
   70    HB   VAL  11           HB       VAL  11  -4.350   0.016   0.016
   71   1HG1  VAL  11          HG21      VAL  11  -4.454   2.668   2.668
   72   2HG1  VAL  11          HG23      VAL  11  -6.012   1.950   1.950
   73   3HG1  VAL  11          HG22      VAL  11  -4.520   1.190   1.190
   74   1HG2  VAL  11          HG13      VAL  11  -6.321  -0.051  -0.051
   75   2HG2  VAL  11          HG12      VAL  11  -6.800  -0.083  -0.083
   76   3HG2  VAL  11          HG11      VAL  11  -6.944   1.409   1.409
   77    H    LEU  12           HN       LEU  12  -5.801   2.403   2.403
   78    HA   LEU  12           HA       LEU  12  -6.237   5.155   5.155
   79   1HB   LEU  12           HB1      LEU  12  -6.262   4.082   4.082
   80   2HB   LEU  12           HB2      LEU  12  -6.642   5.745   5.745
   81    HG   LEU  12           HG       LEU  12  -4.360   5.801   5.801
   82   1HD1  LEU  12          HD12      LEU  12  -4.896   6.826   6.826
   83   2HD1  LEU  12          HD11      LEU  12  -4.139   5.396   5.396
   84   3HD1  LEU  12          HD13      LEU  12  -3.196   6.480   6.480
   85   1HD2  LEU  12          HD23      LEU  12  -4.310   3.161   3.161
   86   2HD2  LEU  12          HD22      LEU  12  -2.828   4.116   4.116
   87   3HD2  LEU  12          HD21      LEU  12  -3.510   3.632   3.632
   88    H    ARG  13           HN       ARG  13  -8.373   6.099   6.099
   89    HA   ARG  13           HA       ARG  13 -10.549   4.067   4.067
   90   1HB   ARG  13           HB2      ARG  13 -10.262   6.304   6.304
   91   2HB   ARG  13           HB1      ARG  13 -11.754   5.396   5.396
   92   1HG   ARG  13           HG2      ARG  13  -9.963   3.357   3.357
   93   2HG   ARG  13           HG1      ARG  13  -9.238   4.566   4.566
   94   1HD   ARG  13           HD1      ARG  13 -12.181   3.869   3.869
   95   2HD   ARG  13           HD2      ARG  13 -10.950   3.010   3.010
   96    HE   ARG  13           HE       ARG  13 -10.513   5.823   5.823
   97   1HH1  ARG  13          HH21      ARG  13 -10.654   3.907   3.907
   98   2HH1  ARG  13          HH22      ARG  13 -12.084   4.433   4.433
   99   1HH2  ARG  13          HH11      ARG  13 -13.273   6.275   6.275
  100   2HH2  ARG  13          HH12      ARG  13 -13.566   5.775   5.775
  101    H    LYS  14           HN       LYS  14 -12.733   5.602   5.602
  102    HA   LYS  14           HA       LYS  14 -12.703   6.878   6.878
  103   1HB   LYS  14           HB2      LYS  14 -14.478   6.677   6.677
  104   2HB   LYS  14           HB1      LYS  14 -14.836   7.986   7.986
  105   1HG   LYS  14           HG2      LYS  14 -14.799   6.303   6.303
  106   2HG   LYS  14           HG1      LYS  14 -14.623   5.033   5.033
  107   1HD   LYS  14           HD2      LYS  14 -16.799   6.836   6.836
  108   2HD   LYS  14           HD1      LYS  14 -17.031   6.138   6.138
  109   1HE   LYS  14           HE2      LYS  14 -16.850   3.887   3.887
  110   2HE   LYS  14           HE1      LYS  14 -16.362   4.496   4.496
  111   1HZ   LYS  14           HZ1      LYS  14 -18.478   5.744   5.744
  112   2HZ   LYS  14           HZ3      LYS  14 -18.955   4.979   4.979
  113   3HZ   LYS  14           HZ2      LYS  14 -18.707   4.061   4.061
  114    H    SER  15           HN       SER  15 -12.034   8.190   8.190
  115    HA   SER  15           HA       SER  15 -11.720  10.914  10.914
  116   1HB   SER  15           HB1      SER  15 -13.414  10.693  10.693
  117   2HB   SER  15           HB2      SER  15 -12.213   9.985   9.985
  118    HG   SER  15           HG       SER  15 -11.306  11.886  11.886
  119    H    ASN  16           HN       ASN  16  -9.785   8.404   8.404
  120    HA   ASN  16           HA       ASN  16  -7.595  10.033  10.033
  121   1HB   ASN  16           HB2      ASN  16  -8.685   7.380   7.380
  122   2HB   ASN  16           HB1      ASN  16  -6.965   7.290   7.290
  123   1HD2  ASN  16          HD22      ASN  16  -7.211   7.794   7.794
  124   2HD2  ASN  16          HD21      ASN  16  -7.615   6.576   6.576
  125    H    PHE  17           HN       PHE  17  -8.659   8.723   8.723
  126    HA   PHE  17           HA       PHE  17  -6.299   7.612   7.612
  127   1HB   PHE  17           HB2      PHE  17  -8.685   7.576   7.576
  128   2HB   PHE  17           HB1      PHE  17  -8.451   9.240   9.240
  129    HD1  PHE  17           HD2      PHE  17  -6.771   9.771   9.771
  130    HD2  PHE  17           HD1      PHE  17  -7.667   5.729   5.729
  131    HE1  PHE  17           HE2      PHE  17  -5.674   8.951   8.951
  132    HE2  PHE  17           HE1      PHE  17  -6.568   4.905   4.905
  133    HZ   PHE  17           HZ       PHE  17  -5.570   6.517   6.517
  134    H    ALA  18           HN       ALA  18  -7.592  10.867  10.867
  135    HA   ALA  18           HA       ALA  18  -5.301  11.920  11.920
  136   1HB   ALA  18           HB3      ALA  18  -7.497  13.133  13.133
  137   2HB   ALA  18           HB2      ALA  18  -6.301  14.128  14.128
  138   3HB   ALA  18           HB1      ALA  18  -7.383  13.089  13.089
  139    H    GLU  19           HN       GLU  19  -6.005  11.539  11.539
  140    HA   GLU  19           HA       GLU  19  -4.022  13.239  13.239
  141   1HB   GLU  19           HB2      GLU  19  -5.922  12.018  12.018
  142   2HB   GLU  19           HB1      GLU  19  -4.985  10.535  10.535
  143   1HG   GLU  19           HG2      GLU  19  -3.863  11.059  11.059
  144   2HG   GLU  19           HG1      GLU  19  -3.274  12.533  12.533
  145    H    ALA  20           HN       ALA  20  -3.848   9.711   9.711
  146    HA   ALA  20           HA       ALA  20  -1.182   9.231   9.231
  147   1HB   ALA  20           HB1      ALA  20  -3.274   7.883   7.883
  148   2HB   ALA  20           HB3      ALA  20  -2.144   7.966   7.966
  149   3HB   ALA  20           HB2      ALA  20  -1.648   7.218   7.218
  150    H    LEU  21           HN       LEU  21  -2.419  10.420  10.420
  151    HA   LEU  21           HA       LEU  21   0.174  10.539  10.539
  152   1HB   LEU  21           HB1      LEU  21  -2.594  11.576  11.576
  153   2HB   LEU  21           HB2      LEU  21  -1.271  12.117  12.117
  154    HG   LEU  21           HG       LEU  21  -0.786   9.443   9.443
  155   1HD1  LEU  21          HD12      LEU  21  -3.255   9.582   9.582
  156   2HD1  LEU  21          HD11      LEU  21  -3.685   9.300   9.300
  157   3HD1  LEU  21          HD13      LEU  21  -2.625   8.168   8.168
  158   1HD2  LEU  21          HD22      LEU  21  -2.491  11.135  11.135
  159   2HD2  LEU  21          HD21      LEU  21  -0.827  10.597  10.597
  160   3HD2  LEU  21          HD23      LEU  21  -2.154   9.444   9.444
  161    H    ALA  22           HN       ALA  22  -1.923  13.069  13.069
  162    HA   ALA  22           HA       ALA  22   0.012  15.191  15.191
  163   1HB   ALA  22           HB3      ALA  22  -2.534  15.303  15.303
  164   2HB   ALA  22           HB2      ALA  22  -2.280  15.095  15.095
  165   3HB   ALA  22           HB1      ALA  22  -1.625  16.510  16.510
  166    H    ALA  23           HN       ALA  23  -1.156  13.604  13.604
  167    HA   ALA  23           HA       ALA  23   0.556  14.747  14.747
  168   1HB   ALA  23           HB3      ALA  23  -1.349  12.898  12.898
  169   2HB   ALA  23           HB2      ALA  23   0.028  11.794  11.794
  170   3HB   ALA  23           HB1      ALA  23  -0.151  12.978  12.978
  171    H    HIS  24           HN       HIS  24   1.233  11.648  11.648
  172    HA   HIS  24           HA       HIS  24   4.132  12.055  12.055
  173   1HB   HIS  24           HB1      HIS  24   2.303   9.729   9.729
  174   2HB   HIS  24           HB2      HIS  24   4.029   9.538   9.538
  175    HD1  HIS  24           HD1      HIS  24   5.356  10.981  10.981
  176    HD2  HIS  24           HD2      HIS  24   1.890   8.744   8.744
  177    HE1  HIS  24           HE1      HIS  24   5.301  10.405  10.405
  178    H    LYS  25           HN       LYS  25   5.275  10.509  10.509
  179    HA   LYS  25           HA       LYS  25   4.598  12.041  12.041
  180   1HB   LYS  25           HB2      LYS  25   7.075  11.112  11.112
  181   2HB   LYS  25           HB1      LYS  25   7.084  11.052  11.052
  182   1HG   LYS  25           HG1      LYS  25   6.775  13.367  13.367
  183   2HG   LYS  25           HG2      LYS  25   6.108  13.521  13.521
  184   1HD   LYS  25           HD2      LYS  25   8.337  14.422  14.422
  185   2HD   LYS  25           HD1      LYS  25   8.393  12.855  12.855
  186   1HE   LYS  25           HE2      LYS  25  10.248  12.709  12.709
  187   2HE   LYS  25           HE1      LYS  25   8.980  11.975  11.975
  188   1HZ   LYS  25           HZ3      LYS  25   9.441  14.894  14.894
  189   2HZ   LYS  25           HZ2      LYS  25  10.322  13.872  13.872
  190   3HZ   LYS  25           HZ1      LYS  25   8.630  13.957  13.957
  191    H    TYR  26           HN       TYR  26   6.474   9.030   9.030
  192    HA   TYR  26           HA       TYR  26   5.010   7.836   7.836
  193   1HB   TYR  26           HB2      TYR  26   7.227   6.784   6.784
  194   2HB   TYR  26           HB1      TYR  26   6.737   6.102   6.102
  195    HD1  TYR  26           HD2      TYR  26   6.286   8.527   8.527
  196    HD2  TYR  26           HD1      TYR  26   9.409   7.612   7.612
  197    HE1  TYR  26           HE2      TYR  26   7.801  10.102  10.102
  198    HE2  TYR  26           HE1      TYR  26  10.924   9.188   9.188
  199    HH   TYR  26           HH       TYR  26  11.015  10.115  10.115
  200    H    LEU  27           HN       LEU  27   2.953   7.151   7.151
  201    HA   LEU  27           HA       LEU  27   2.872   5.287   5.287
  202   1HB   LEU  27           HB2      LEU  27   0.894   7.329   7.329
  203   2HB   LEU  27           HB1      LEU  27   0.445   6.098   6.098
  204    HG   LEU  27           HG       LEU  27   0.990   8.077   8.077
  205   1HD1  LEU  27          HD13      LEU  27   2.060   5.776   5.776
  206   2HD1  LEU  27          HD12      LEU  27   3.574   6.559   6.559
  207   3HD1  LEU  27          HD11      LEU  27   2.581   7.239   7.239
  208   1HD2  LEU  27          HD21      LEU  27   2.605   8.677   8.677
  209   2HD2  LEU  27          HD23      LEU  27   2.547   9.588   9.588
  210   3HD2  LEU  27          HD22      LEU  27   3.778   8.346   8.346
  211    H    LEU  28           HN       LEU  28   2.722   3.255   3.255
  212    HA   LEU  28           HA       LEU  28   1.405   2.789   2.789
  213   1HB   LEU  28           HB1      LEU  28   3.467   1.622   1.622
  214   2HB   LEU  28           HB2      LEU  28   2.601   0.934   0.934
  215    HG   LEU  28           HG       LEU  28   0.937   0.037   0.037
  216   1HD1  LEU  28          HD13      LEU  28   2.210   1.539   1.539
  217   2HD1  LEU  28          HD12      LEU  28   3.324   0.170   0.170
  218   3HD1  LEU  28          HD11      LEU  28   1.624  -0.055  -0.055
  219   1HD2  LEU  28          HD22      LEU  28   3.768  -1.011  -1.011
  220   2HD2  LEU  28          HD21      LEU  28   2.382  -1.437  -1.437
  221   3HD2  LEU  28          HD23      LEU  28   2.432  -1.937  -1.937
  222    H    VAL  29           HN       VAL  29  -0.795   2.510   2.510
  223    HA   VAL  29           HA       VAL  29  -2.217   1.625   1.625
  224    HB   VAL  29           HB       VAL  29  -3.267   2.908   2.908
  225   1HG1  VAL  29          HG21      VAL  29  -4.435   2.029   2.029
  226   2HG1  VAL  29          HG23      VAL  29  -5.017   3.558   3.558
  227   3HG1  VAL  29          HG22      VAL  29  -5.169   2.077   2.077
  228   1HG2  VAL  29          HG12      VAL  29  -1.631   4.354   4.354
  229   2HG2  VAL  29          HG11      VAL  29  -3.268   5.005   5.005
  230   3HG2  VAL  29          HG13      VAL  29  -2.580   4.177   4.177
  231    H    GLU  30           HN       GLU  30  -3.411  -0.250  -0.250
  232    HA   GLU  30           HA       GLU  30  -3.546  -1.807  -1.807
  233   1HB   GLU  30           HB1      GLU  30  -1.909  -2.739  -2.739
  234   2HB   GLU  30           HB2      GLU  30  -3.072  -2.681  -2.681
  235   1HG   GLU  30           HG1      GLU  30  -4.350  -4.445  -4.445
  236   2HG   GLU  30           HG2      GLU  30  -3.711  -4.224  -4.224
  237    H    PHE  31           HN       PHE  31  -5.600  -2.516  -2.516
  238    HA   PHE  31           HA       PHE  31  -7.801  -1.914  -1.914
  239   1HB   PHE  31           HB1      PHE  31  -7.513  -2.233  -2.233
  240   2HB   PHE  31           HB2      PHE  31  -9.103  -2.298  -2.298
  241    HD1  PHE  31           HD1      PHE  31  -9.809  -0.339  -0.339
  242    HD2  PHE  31           HD2      PHE  31  -6.450  -0.167  -0.167
  243    HE1  PHE  31           HE1      PHE  31  -9.857   2.139   2.139
  244    HE2  PHE  31           HE2      PHE  31  -6.498   2.310   2.310
  245    HZ   PHE  31           HZ       PHE  31  -8.202   3.463   3.463
  246    H    TYR  32           HN       TYR  32  -8.510  -3.700  -3.700
  247    HA   TYR  32           HA       TYR  32  -9.193  -6.150  -6.150
  248   1HB   TYR  32           HB2      TYR  32  -7.514  -7.563  -7.563
  249   2HB   TYR  32           HB1      TYR  32  -6.637  -6.096  -6.096
  250    HD1  TYR  32           HD2      TYR  32  -7.013  -4.242  -4.242
  251    HD2  TYR  32           HD1      TYR  32  -6.717  -8.517  -8.517
  252    HE1  TYR  32           HE2      TYR  32  -6.237  -4.023  -4.023
  253    HE2  TYR  32           HE1      TYR  32  -5.939  -8.298  -8.298
  254    HH   TYR  32           HH       TYR  32  -6.023  -5.248  -5.248
  255    H    ALA  33           HN       ALA  33  -9.928  -7.879  -7.879
  256    HA   ALA  33           HA       ALA  33 -11.301  -6.466  -6.466
  257   1HB   ALA  33           HB2      ALA  33 -12.156  -8.815  -8.815
  258   2HB   ALA  33           HB1      ALA  33 -13.096  -8.165  -8.165
  259   3HB   ALA  33           HB3      ALA  33 -12.802  -7.177  -7.177
  260    HA   PRO  34           HA       PRO  34  -9.437  -9.382  -9.382
  261   1HB   PRO  34           HB1      PRO  34 -11.463  -9.910  -9.910
  262   2HB   PRO  34           HB2      PRO  34 -10.550  -8.388  -8.388
  263   1HG   PRO  34           HG2      PRO  34 -13.236  -9.001  -9.001
  264   2HG   PRO  34           HG1      PRO  34 -12.688  -7.561  -7.561
  265   1HD   PRO  34           HD2      PRO  34 -12.927  -7.631  -7.631
  266   2HD   PRO  34           HD1      PRO  34 -11.724  -6.628  -6.628
  267    H    TRP  35           HN       TRP  35 -12.281 -10.212 -10.212
  268    HA   TRP  35           HA       TRP  35 -11.878 -13.111 -13.111
  269   1HB   TRP  35           HB1      TRP  35 -14.176 -13.272 -13.272
  270   2HB   TRP  35           HB2      TRP  35 -14.123 -12.451 -12.451
  271    HD1  TRP  35           HD1      TRP  35 -13.228 -10.964 -10.964
  272    HE1  TRP  35           HE1      TRP  35 -14.736  -8.907  -8.907
  273    HE3  TRP  35           HE3      TRP  35 -16.171 -11.216 -11.216
  274    HZ2  TRP  35           HZ2      TRP  35 -16.899  -7.560  -7.560
  275    HZ3  TRP  35           HZ3      TRP  35 -17.947  -9.530  -9.530
  276    HH2  TRP  35           HH2      TRP  35 -18.308  -7.704  -7.704
  277    H    CYS  36           HN       CYS  36 -10.913 -10.875 -10.875
  278    HA   CYS  36           HA       CYS  36 -11.427 -11.997 -11.997
  279   1HB   CYS  36           HB1      CYS  36 -10.288  -9.858  -9.858
  280   2HB   CYS  36           HB2      CYS  36  -8.905 -10.725 -10.725
  281    H    GLY  37           HN       GLY  37 -10.034 -13.438 -13.438
  282   1HA   GLY  37           HA2      GLY  37  -8.813 -15.577 -15.577
  283   2HA   GLY  37           HA1      GLY  37  -9.418 -15.801 -15.801
  284    H    HIS  38           HN       HIS  38  -8.209 -14.185 -14.185
  285    HA   HIS  38           HA       HIS  38  -5.486 -15.009 -15.009
  286   1HB   HIS  38           HB2      HIS  38  -7.250 -12.957 -12.957
  287   2HB   HIS  38           HB1      HIS  38  -5.521 -12.927 -12.927
  288    HD1  HIS  38           HD1      HIS  38  -4.835 -14.385 -14.385
  289    HD2  HIS  38           HD2      HIS  38  -8.316 -15.784 -15.784
  290    HE1  HIS  38           HE1      HIS  38  -5.568 -16.416 -16.416
  291    H    CYS  39           HN       CYS  39  -6.931 -12.508 -12.508
  292    HA   CYS  39           HA       CYS  39  -4.587 -10.777 -10.777
  293   1HB   CYS  39           HB2      CYS  39  -7.021 -11.046 -11.046
  294   2HB   CYS  39           HB1      CYS  39  -5.939  -9.657  -9.657
  295    H    LYS  40           HN       LYS  40  -5.735 -13.647 -13.647
  296    HA   LYS  40           HA       LYS  40  -4.249 -13.392 -13.392
  297   1HB   LYS  40           HB2      LYS  40  -5.219 -15.814 -15.814
  298   2HB   LYS  40           HB1      LYS  40  -4.744 -15.819 -15.819
  299   1HG   LYS  40           HG2      LYS  40  -6.911 -14.000 -14.000
  300   2HG   LYS  40           HG1      LYS  40  -7.252 -15.618 -15.618
  301   1HD   LYS  40           HD2      LYS  40  -5.796 -14.755 -14.755
  302   2HD   LYS  40           HD1      LYS  40  -6.335 -13.180 -13.180
  303   1HE   LYS  40           HE2      LYS  40  -8.698 -14.471 -14.471
  304   2HE   LYS  40           HE1      LYS  40  -7.928 -15.383 -15.383
  305   1HZ   LYS  40           HZ3      LYS  40  -7.267 -13.214 -13.214
  306   2HZ   LYS  40           HZ2      LYS  40  -8.222 -12.434 -12.434
  307   3HZ   LYS  40           HZ1      LYS  40  -8.946 -13.457 -13.457
  308    H    ALA  41           HN       ALA  41  -3.458 -14.603 -14.603
  309    HA   ALA  41           HA       ALA  41  -1.016 -15.958 -15.958
  310   1HB   ALA  41           HB1      ALA  41  -2.498 -15.001 -15.001
  311   2HB   ALA  41           HB3      ALA  41  -0.750 -14.995 -14.995
  312   3HB   ALA  41           HB2      ALA  41  -1.574 -16.489 -16.489
  313    H    LEU  42           HN       LEU  42  -1.814 -12.586 -12.586
  314    HA   LEU  42           HA       LEU  42   1.105 -11.895 -11.895
  315   1HB   LEU  42           HB2      LEU  42  -0.265 -11.235 -11.235
  316   2HB   LEU  42           HB1      LEU  42  -1.196 -10.181 -10.181
  317    HG   LEU  42           HG       LEU  42   1.357  -9.477  -9.477
  318   1HD1  LEU  42          HD11      LEU  42   1.332 -10.499 -10.499
  319   2HD1  LEU  42          HD13      LEU  42   2.325  -9.097  -9.097
  320   3HD1  LEU  42          HD12      LEU  42   2.598 -10.631 -10.631
  321   1HD2  LEU  42          HD23      LEU  42  -0.604  -8.417  -8.417
  322   2HD2  LEU  42          HD22      LEU  42  -0.196  -7.773  -7.773
  323   3HD2  LEU  42          HD21      LEU  42   0.938  -7.598  -7.598
  324    H    ALA  43           HN       ALA  43  -1.764 -11.973 -11.973
  325    HA   ALA  43           HA       ALA  43  -1.807  -9.541  -9.541
  326   1HB   ALA  43           HB2      ALA  43  -2.851 -12.221 -12.221
  327   2HB   ALA  43           HB1      ALA  43  -2.367 -11.683 -11.683
  328   3HB   ALA  43           HB3      ALA  43  -3.524 -10.737 -10.737
  329    HA   PRO  44           HA       PRO  44   1.263 -11.352 -11.352
  330   1HB   PRO  44           HB2      PRO  44   2.455 -13.757 -13.757
  331   2HB   PRO  44           HB1      PRO  44   0.918 -13.609 -13.609
  332   1HG   PRO  44           HG2      PRO  44   1.432 -14.319 -14.319
  333   2HG   PRO  44           HG1      PRO  44   0.220 -14.958 -14.958
  334   1HD   PRO  44           HD1      PRO  44  -0.327 -13.115 -13.115
  335   2HD   PRO  44           HD2      PRO  44  -1.263 -13.283 -13.283
  336    H    GLU  45           HN       GLU  45   1.739 -11.202 -11.202
  337    HA   GLU  45           HA       GLU  45   4.704 -11.121 -11.121
  338   1HB   GLU  45           HB2      GLU  45   2.651 -11.039 -11.039
  339   2HB   GLU  45           HB1      GLU  45   4.378 -10.849 -10.849
  340   1HG   GLU  45           HG1      GLU  45   4.364 -13.119 -13.119
  341   2HG   GLU  45           HG2      GLU  45   4.351 -13.089 -13.089
  342    H    TYR  46           HN       TYR  46   1.886  -9.109  -9.109
  343    HA   TYR  46           HA       TYR  46   3.430  -6.703  -6.703
  344   1HB   TYR  46           HB2      TYR  46   1.362  -6.651  -6.651
  345   2HB   TYR  46           HB1      TYR  46   0.606  -7.628  -7.628
  346    HD1  TYR  46           HD1      TYR  46  -0.054  -6.541  -6.541
  347    HD2  TYR  46           HD2      TYR  46   1.244  -4.284  -4.284
  348    HE1  TYR  46           HE1      TYR  46  -1.042  -4.489  -4.489
  349    HE2  TYR  46           HE2      TYR  46   0.257  -2.233  -2.233
  350    HH   TYR  46           HH       TYR  46  -1.920  -2.281  -2.281
  351    H    ALA  47           HN       ALA  47   2.317  -8.348  -8.348
  352    HA   ALA  47           HA       ALA  47   2.319  -5.987  -5.987
  353   1HB   ALA  47           HB2      ALA  47   1.222  -8.490  -8.490
  354   2HB   ALA  47           HB1      ALA  47   2.590  -8.701  -8.701
  355   3HB   ALA  47           HB3      ALA  47   1.382  -7.458  -7.458
  356    H    LYS  48           HN       LYS  48   4.639  -8.497  -8.497
  357    HA   LYS  48           HA       LYS  48   6.539  -7.655  -7.655
  358   1HB   LYS  48           HB2      LYS  48   7.813  -9.544  -9.544
  359   2HB   LYS  48           HB1      LYS  48   6.123 -10.029 -10.029
  360   1HG   LYS  48           HG2      LYS  48   5.910  -9.470  -9.470
  361   2HG   LYS  48           HG1      LYS  48   7.648  -9.170  -9.170
  362   1HD   LYS  48           HD2      LYS  48   6.552 -11.777 -11.777
  363   2HD   LYS  48           HD1      LYS  48   6.811 -11.529 -11.529
  364   1HE   LYS  48           HE2      LYS  48   9.195 -10.825 -10.825
  365   2HE   LYS  48           HE1      LYS  48   8.885 -11.433 -11.433
  366   1HZ   LYS  48           HZ1      LYS  48   8.478 -12.983 -12.983
  367   2HZ   LYS  48           HZ3      LYS  48   9.797 -13.168 -13.168
  368   3HZ   LYS  48           HZ2      LYS  48   8.229 -13.551 -13.551
  369    H    ALA  49           HN       ALA  49   6.058  -7.256  -7.256
  370    HA   ALA  49           HA       ALA  49   8.623  -6.298  -6.298
  371   1HB   ALA  49           HB1      ALA  49   6.173  -6.737  -6.737
  372   2HB   ALA  49           HB3      ALA  49   6.290  -4.979  -4.979
  373   3HB   ALA  49           HB2      ALA  49   7.541  -5.970  -5.970
  374    H    ALA  50           HN       ALA  50   5.889  -4.632  -4.632
  375    HA   ALA  50           HA       ALA  50   6.848  -1.949  -1.949
  376   1HB   ALA  50           HB3      ALA  50   4.548  -2.805  -2.805
  377   2HB   ALA  50           HB2      ALA  50   5.225  -3.127  -3.127
  378   3HB   ALA  50           HB1      ALA  50   5.163  -1.475  -1.475
  379    H    GLY  51           HN       GLY  51   7.740  -4.549  -4.549
  380   1HA   GLY  51           HA2      GLY  51   9.252  -2.676  -2.676
  381   2HA   GLY  51           HA1      GLY  51   8.967  -4.382  -4.382
  382    H    LYS  52           HN       LYS  52   9.800  -4.347  -4.347
  383    HA   LYS  52           HA       LYS  52  12.498  -5.320  -5.320
  384   1HB   LYS  52           HB2      LYS  52  10.782  -4.890  -4.890
  385   2HB   LYS  52           HB1      LYS  52  12.430  -5.512  -5.512
  386   1HG   LYS  52           HG2      LYS  52  10.591  -6.809  -6.809
  387   2HG   LYS  52           HG1      LYS  52  10.332  -7.151  -7.151
  388   1HD   LYS  52           HD2      LYS  52  13.158  -7.254  -7.254
  389   2HD   LYS  52           HD1      LYS  52  12.228  -8.361  -8.361
  390   1HE   LYS  52           HE2      LYS  52  11.073  -8.872  -8.872
  391   2HE   LYS  52           HE1      LYS  52  12.714  -8.447  -8.447
  392   1HZ   LYS  52           HZ3      LYS  52  12.094 -10.339 -10.339
  393   2HZ   LYS  52           HZ2      LYS  52  12.495 -10.814 -10.814
  394   3HZ   LYS  52           HZ1      LYS  52  13.629  -9.985  -9.985
  395    H    LEU  53           HN       LEU  53  11.140  -2.575  -2.575
  396    HA   LEU  53           HA       LEU  53  13.733  -1.436  -1.436
  397   1HB   LEU  53           HB1      LEU  53  12.471   0.178   0.178
  398   2HB   LEU  53           HB2      LEU  53  11.387  -1.209  -1.209
  399    HG   LEU  53           HG       LEU  53  11.279   1.061   1.061
  400   1HD1  LEU  53          HD23      LEU  53  10.512   1.143   1.143
  401   2HD1  LEU  53          HD22      LEU  53   9.023   0.659   0.659
  402   3HD1  LEU  53          HD21      LEU  53   9.838   2.151   2.151
  403   1HD2  LEU  53          HD12      LEU  53   9.428  -1.280  -1.280
  404   2HD2  LEU  53          HD11      LEU  53  10.440  -1.063  -1.063
  405   3HD2  LEU  53          HD13      LEU  53   9.095   0.036   0.036
  406    H    LYS  54           HN       LYS  54  11.947  -1.534  -1.534
  407    HA   LYS  54           HA       LYS  54  12.467   1.079   1.079
  408   1HB   LYS  54           HB2      LYS  54  11.662  -1.632  -1.632
  409   2HB   LYS  54           HB1      LYS  54  12.311  -0.547  -0.547
  410   1HG   LYS  54           HG2      LYS  54  10.136   0.300   0.300
  411   2HG   LYS  54           HG1      LYS  54   9.785  -0.433  -0.433
  412   1HD   LYS  54           HD2      LYS  54  11.534   1.443   1.443
  413   2HD   LYS  54           HD1      LYS  54  10.900   2.256   2.256
  414   1HE   LYS  54           HE2      LYS  54   8.847   0.993   0.993
  415   2HE   LYS  54           HE1      LYS  54   9.686   2.390   2.390
  416   1HZ   LYS  54           HZ1      LYS  54   8.515   2.320   2.320
  417   2HZ   LYS  54           HZ3      LYS  54   7.772   3.042   3.042
  418   3HZ   LYS  54           HZ2      LYS  54   9.242   3.658   3.658
  419    H    ALA  55           HN       ALA  55  14.079  -2.027  -2.027
  420    HA   ALA  55           HA       ALA  55  16.264  -0.941  -0.941
  421   1HB   ALA  55           HB2      ALA  55  15.948  -3.411  -3.411
  422   2HB   ALA  55           HB1      ALA  55  17.345  -3.137  -3.137
  423   3HB   ALA  55           HB3      ALA  55  15.736  -3.296  -3.296
  424    H    GLU  56           HN       GLU  56  15.646  -1.032  -1.032
  425    HA   GLU  56           HA       GLU  56  18.407  -0.600  -0.600
  426   1HB   GLU  56           HB1      GLU  56  15.679  -0.729  -0.729
  427   2HB   GLU  56           HB2      GLU  56  16.887   0.167   0.167
  428   1HG   GLU  56           HG2      GLU  56  17.513  -2.569  -2.569
  429   2HG   GLU  56           HG1      GLU  56  16.655  -2.391  -2.391
  430    H    GLY  57           HN       GLY  57  15.550   1.457   1.457
  431   1HA   GLY  57           HA1      GLY  57  15.845   3.734   3.734
  432   2HA   GLY  57           HA2      GLY  57  17.380   3.817   3.817
  433    H    SER  58           HN       SER  58  14.562   2.429   2.429
  434    HA   SER  58           HA       SER  58  14.724   4.317   4.317
  435   1HB   SER  58           HB1      SER  58  13.366   1.845   1.845
  436   2HB   SER  58           HB2      SER  58  12.295   2.933   2.933
  437    HG   SER  58           HG       SER  58  14.087   1.382   1.382
  438    H    GLU  59           HN       GLU  59  12.723   5.583   5.583
  439    HA   GLU  59           HA       GLU  59  11.421   6.820   6.820
  440   1HB   GLU  59           HB2      GLU  59  11.302   8.808   8.808
  441   2HB   GLU  59           HB1      GLU  59  12.950   8.281   8.281
  442   1HG   GLU  59           HG2      GLU  59  12.846   8.639   8.639
  443   2HG   GLU  59           HG1      GLU  59  12.739   6.890   6.890
  444    H    ILE  60           HN       ILE  60  10.486   4.436   4.436
  445    HA   ILE  60           HA       ILE  60   7.993   5.610   5.610
  446    HB   ILE  60           HB       ILE  60   9.258   2.883   2.883
  447   1HG1  ILE  60          HG12      ILE  60   9.509   4.399   4.399
  448   2HG1  ILE  60          HG11      ILE  60   9.983   5.501   5.501
  449   1HG2  ILE  60          HG22      ILE  60   6.871   4.303   4.303
  450   2HG2  ILE  60          HG21      ILE  60   7.809   3.395   3.395
  451   3HG2  ILE  60          HG23      ILE  60   7.144   2.576   2.576
  452   1HD1  ILE  60          HD12      ILE  60  11.041   2.694   2.694
  453   2HD1  ILE  60          HD11      ILE  60  11.765   3.873   3.873
  454   3HD1  ILE  60          HD13      ILE  60  11.769   4.165   4.165
  455    H    ARG  61           HN       ARG  61   6.031   4.148   4.148
  456    HA   ARG  61           HA       ARG  61   6.127   2.513   2.513
  457   1HB   ARG  61           HB2      ARG  61   4.771   5.123   5.123
  458   2HB   ARG  61           HB1      ARG  61   3.886   3.923   3.923
  459   1HG   ARG  61           HG2      ARG  61   5.562   3.822   3.822
  460   2HG   ARG  61           HG1      ARG  61   6.761   4.591   4.591
  461   1HD   ARG  61           HD2      ARG  61   6.126   6.650   6.650
  462   2HD   ARG  61           HD1      ARG  61   4.425   6.301   6.301
  463    HE   ARG  61           HE       ARG  61   4.258   5.190   5.190
  464   1HH1  ARG  61          HH21      ARG  61   7.510   5.714   5.714
  465   2HH1  ARG  61          HH22      ARG  61   7.748   6.521   6.521
  466   1HH2  ARG  61          HH11      ARG  61   4.360   6.819   6.819
  467   2HH2  ARG  61          HH12      ARG  61   5.964   7.147   7.147
  468    H    LEU  62           HN       LEU  62   4.252   1.112   1.112
  469    HA   LEU  62           HA       LEU  62   2.817   0.635   0.635
  470   1HB   LEU  62           HB1      LEU  62   4.088  -1.056  -1.056
  471   2HB   LEU  62           HB2      LEU  62   2.603  -1.686  -1.686
  472    HG   LEU  62           HG       LEU  62   3.897  -0.849  -0.849
  473   1HD1  LEU  62          HD22      LEU  62   5.856  -0.390  -0.390
  474   2HD1  LEU  62          HD21      LEU  62   6.134  -2.119  -2.119
  475   3HD1  LEU  62          HD23      LEU  62   6.202  -1.037  -1.037
  476   1HD2  LEU  62          HD13      LEU  62   2.883  -3.087  -3.087
  477   2HD2  LEU  62          HD12      LEU  62   4.421  -3.200  -3.200
  478   3HD2  LEU  62          HD11      LEU  62   4.350  -3.523  -3.523
  479    H    ALA  63           HN       ALA  63   0.569   0.661   0.661
  480    HA   ALA  63           HA       ALA  63  -0.756   0.644   0.644
  481   1HB   ALA  63           HB1      ALA  63  -0.244   2.940   2.940
  482   2HB   ALA  63           HB3      ALA  63  -1.656   2.504   2.504
  483   3HB   ALA  63           HB2      ALA  63  -1.801   2.683   2.683
  484    H    LYS  64           HN       LYS  64  -3.102   0.135   0.135
  485    HA   LYS  64           HA       LYS  64  -3.882  -1.182  -1.182
  486   1HB   LYS  64           HB2      LYS  64  -4.585  -3.164  -3.164
  487   2HB   LYS  64           HB1      LYS  64  -2.867  -2.847  -2.847
  488   1HG   LYS  64           HG2      LYS  64  -3.844  -1.365  -1.365
  489   2HG   LYS  64           HG1      LYS  64  -5.121  -2.577  -2.577
  490   1HD   LYS  64           HD2      LYS  64  -2.935  -4.175  -4.175
  491   2HD   LYS  64           HD1      LYS  64  -2.291  -2.878  -2.878
  492   1HE   LYS  64           HE2      LYS  64  -4.523  -3.170  -3.170
  493   2HE   LYS  64           HE1      LYS  64  -4.566  -4.764  -4.764
  494   1HZ   LYS  64           HZ2      LYS  64  -2.121  -4.893  -4.893
  495   2HZ   LYS  64           HZ1      LYS  64  -2.451  -3.605  -3.605
  496   3HZ   LYS  64           HZ3      LYS  64  -3.265  -5.082  -5.082
  497    H    VAL  65           HN       VAL  65  -6.197  -1.454  -1.454
  498    HA   VAL  65           HA       VAL  65  -7.825   0.201   0.201
  499    HB   VAL  65           HB       VAL  65  -7.940  -0.067  -0.067
  500   1HG1  VAL  65          HG12      VAL  65 -10.073   0.424   0.424
  501   2HG1  VAL  65          HG11      VAL  65  -9.619   2.005   2.005
  502   3HG1  VAL  65          HG13      VAL  65 -10.061   0.700   0.700
  503   1HG2  VAL  65          HG23      VAL  65  -7.107   2.105   2.105
  504   2HG2  VAL  65          HG22      VAL  65  -6.222   1.455   1.455
  505   3HG2  VAL  65          HG21      VAL  65  -7.626   2.489   2.489
  506    H    ASP  66           HN       ASP  66  -9.710  -0.777  -0.777
  507    HA   ASP  66           HA       ASP  66 -10.174  -3.578  -3.578
  508   1HB   ASP  66           HB1      ASP  66 -10.725  -1.818  -1.818
  509   2HB   ASP  66           HB2      ASP  66 -12.073  -2.881  -2.881
  510    H    ALA  67           HN       ALA  67 -11.078  -3.256  -3.256
  511    HA   ALA  67           HA       ALA  67 -12.997  -1.436  -1.436
  512   1HB   ALA  67           HB1      ALA  67 -12.226  -4.243  -4.243
  513   2HB   ALA  67           HB3      ALA  67 -13.761  -3.693  -3.693
  514   3HB   ALA  67           HB2      ALA  67 -12.269  -2.835  -2.835
  515    H    THR  68           HN       THR  68 -13.457  -4.149  -4.149
  516    HA   THR  68           HA       THR  68 -16.331  -4.332  -4.332
  517    HB   THR  68           HB       THR  68 -16.066  -5.657  -5.657
  518    HG1  THR  68           HG1      THR  68 -14.688  -4.577  -4.577
  519   1HG2  THR  68          HG21      THR  68 -15.167  -6.421  -6.421
  520   2HG2  THR  68          HG23      THR  68 -13.572  -6.148  -6.148
  521   3HG2  THR  68          HG22      THR  68 -14.667  -7.321  -7.321
  522    H    GLU  69           HN       GLU  69 -14.152  -2.145  -2.145
  523    HA   GLU  69           HA       GLU  69 -16.379  -1.049  -1.049
  524   1HB   GLU  69           HB1      GLU  69 -14.041  -1.858  -1.858
  525   2HB   GLU  69           HB2      GLU  69 -13.457  -0.333  -0.333
  526   1HG   GLU  69           HG1      GLU  69 -15.880  -0.313  -0.313
  527   2HG   GLU  69           HG2      GLU  69 -14.285  -0.455  -0.455
  528    H    GLU  70           HN       GLU  70 -13.718  -0.023  -0.023
  529    HA   GLU  70           HA       GLU  70 -15.339   2.440   2.440
  530   1HB   GLU  70           HB1      GLU  70 -13.202   3.650   3.650
  531   2HB   GLU  70           HB2      GLU  70 -13.379   2.818   2.818
  532   1HG   GLU  70           HG1      GLU  70 -12.138   1.075   1.075
  533   2HG   GLU  70           HG2      GLU  70 -11.236   2.583   2.583
  534    H    SER  71           HN       SER  71 -15.806   0.393   0.393
  535    HA   SER  71           HA       SER  71 -13.935   0.068   0.068
  536   1HB   SER  71           HB2      SER  71 -15.515  -1.600  -1.600
  537   2HB   SER  71           HB1      SER  71 -16.768  -0.546  -0.546
  538    HG   SER  71           HG       SER  71 -17.280   0.073   0.073
  539    H    ASP  72           HN       ASP  72 -16.011   2.683   2.683
  540    HA   ASP  72           HA       ASP  72 -16.862   3.798   3.798
  541   1HB   ASP  72           HB1      ASP  72 -15.802   4.928   4.928
  542   2HB   ASP  72           HB2      ASP  72 -16.359   5.997   5.997
  543    H    LEU  73           HN       LEU  73 -13.628   3.978   3.978
  544    HA   LEU  73           HA       LEU  73 -12.479   5.743   5.743
  545   1HB   LEU  73           HB2      LEU  73 -11.245   3.618   3.618
  546   2HB   LEU  73           HB1      LEU  73 -10.367   4.937   4.937
  547    HG   LEU  73           HG       LEU  73 -12.744   5.683   5.683
  548   1HD1  LEU  73          HD13      LEU  73 -10.713   3.984   3.984
  549   2HD1  LEU  73          HD12      LEU  73 -10.455   5.597   5.597
  550   3HD1  LEU  73          HD11      LEU  73 -12.011   4.796   4.796
  551   1HD2  LEU  73          HD21      LEU  73  -9.959   6.777   6.777
  552   2HD2  LEU  73          HD23      LEU  73 -11.484   7.433   7.433
  553   3HD2  LEU  73          HD22      LEU  73 -11.107   7.508   7.508
  554    H    ALA  74           HN       ALA  74 -12.682   2.214   2.214
  555    HA   ALA  74           HA       ALA  74 -11.091   1.638   1.638
  556   1HB   ALA  74           HB3      ALA  74 -11.584   0.136   0.136
  557   2HB   ALA  74           HB2      ALA  74 -13.233  -0.022  -0.022
  558   3HB   ALA  74           HB1      ALA  74 -11.879  -0.624  -0.624
  559    H    GLN  75           HN       GLN  75 -14.484   2.340   2.340
  560    HA   GLN  75           HA       GLN  75 -15.424   1.424   1.424
  561   1HB   GLN  75           HB2      GLN  75 -16.671   1.674   1.674
  562   2HB   GLN  75           HB1      GLN  75 -16.752   3.394   3.394
  563   1HG   GLN  75           HG1      GLN  75 -17.967   2.957   2.957
  564   2HG   GLN  75           HG2      GLN  75 -17.722   1.218   1.218
  565   1HE2  GLN  75          HE22      GLN  75 -21.058   1.511   1.511
  566   2HE2  GLN  75          HE21      GLN  75 -20.236   1.295   1.295
  567    H    GLN  76           HN       GLN  76 -14.155   4.404   4.404
  568    HA   GLN  76           HA       GLN  76 -15.069   6.126   6.126
  569   1HB   GLN  76           HB1      GLN  76 -13.365   6.261   6.261
  570   2HB   GLN  76           HB2      GLN  76 -13.067   7.482   7.482
  571   1HG   GLN  76           HG2      GLN  76 -15.747   7.607   7.607
  572   2HG   GLN  76           HG1      GLN  76 -15.481   7.048   7.048
  573   1HE2  GLN  76          HE22      GLN  76 -14.427  10.215  10.215
  574   2HE2  GLN  76          HE21      GLN  76 -14.978   8.659   8.659
  575    H    TYR  77           HN       TYR  77 -12.178   4.233   4.233
  576    HA   TYR  77           HA       TYR  77 -10.653   5.383   5.383
  577   1HB   TYR  77           HB2      TYR  77 -10.278   3.518   3.518
  578   2HB   TYR  77           HB1      TYR  77  -9.295   3.171   3.171
  579    HD1  TYR  77           HD1      TYR  77 -10.384   6.096   6.096
  580    HD2  TYR  77           HD2      TYR  77  -7.255   4.278   4.278
  581    HE1  TYR  77           HE1      TYR  77  -8.858   7.953   7.953
  582    HE2  TYR  77           HE2      TYR  77  -5.728   6.137   6.137
  583    HH   TYR  77           HH       TYR  77  -6.570   8.958   8.958
  584    H    GLY  78           HN       GLY  78 -12.865   2.753   2.753
  585   1HA   GLY  78           HA1      GLY  78 -13.785   1.275   1.275
  586   2HA   GLY  78           HA2      GLY  78 -12.782   2.043   2.043
  587    H    VAL  79           HN       VAL  79 -12.043   0.246   0.246
  588    HA   VAL  79           HA       VAL  79  -9.673  -0.981  -0.981
  589    HB   VAL  79           HB       VAL  79  -9.935  -2.406  -2.406
  590   1HG1  VAL  79          HG21      VAL  79 -10.446   0.540   0.540
  591   2HG1  VAL  79          HG23      VAL  79 -10.562  -0.370  -0.370
  592   3HG1  VAL  79          HG22      VAL  79  -9.058  -0.374  -0.374
  593   1HG2  VAL  79          HG11      VAL  79 -12.748  -1.622  -1.622
  594   2HG2  VAL  79          HG13      VAL  79 -12.081  -3.049  -3.049
  595   3HG2  VAL  79          HG12      VAL  79 -12.205  -1.527  -1.527
  596    H    ARG  80           HN       ARG  80  -9.441  -3.388  -3.388
  597    HA   ARG  80           HA       ARG  80 -11.787  -4.427  -4.427
  598   1HB   ARG  80           HB2      ARG  80  -8.807  -4.510  -4.510
  599   2HB   ARG  80           HB1      ARG  80  -9.735  -5.859  -5.859
  600   1HG   ARG  80           HG2      ARG  80 -11.124  -4.250  -4.250
  601   2HG   ARG  80           HG1      ARG  80 -10.140  -2.925  -2.925
  602   1HD   ARG  80           HD2      ARG  80  -8.175  -4.528  -4.528
  603   2HD   ARG  80           HD1      ARG  80  -9.487  -4.926  -4.926
  604    HE   ARG  80           HE       ARG  80  -9.752  -2.402  -2.402
  605   1HH1  ARG  80          HH11      ARG  80  -7.156  -2.904  -2.904
  606   2HH1  ARG  80          HH12      ARG  80  -6.003  -2.028  -2.028
  607   1HH2  ARG  80          HH21      ARG  80  -8.123  -1.667  -1.667
  608   2HH2  ARG  80          HH22      ARG  80  -6.550  -1.327  -1.327
  609    H    GLY  81           HN       GLY  81  -9.999  -4.933  -4.933
  610   1HA   GLY  81           HA2      GLY  81 -11.417  -6.966  -6.966
  611   2HA   GLY  81           HA1      GLY  81 -10.337  -7.852  -7.852
  612    H    TYR  82           HN       TYR  82 -10.452  -7.725  -7.725
  613    HA   TYR  82           HA       TYR  82  -8.002  -6.314  -6.314
  614   1HB   TYR  82           HB2      TYR  82  -9.721  -8.345  -8.345
  615   2HB   TYR  82           HB1      TYR  82  -8.608  -7.192  -7.192
  616    HD1  TYR  82           HD1      TYR  82  -9.258  -4.785  -4.785
  617    HD2  TYR  82           HD2      TYR  82 -11.780  -7.645  -7.645
  618    HE1  TYR  82           HE1      TYR  82 -11.082  -3.108  -3.108
  619    HE2  TYR  82           HE2      TYR  82 -13.602  -5.967  -5.967
  620    HH   TYR  82           HH       TYR  82 -14.016  -3.599  -3.599
  621    HA   PRO  83           HA       PRO  83  -6.698  -6.595  -6.595
  622   1HB   PRO  83           HB2      PRO  83  -4.003  -6.749  -6.749
  623   2HB   PRO  83           HB1      PRO  83  -5.164  -7.720  -7.720
  624   1HG   PRO  83           HG1      PRO  83  -3.317  -8.524  -8.524
  625   2HG   PRO  83           HG2      PRO  83  -4.054  -9.494  -9.494
  626   1HD   PRO  83           HD2      PRO  83  -4.836  -9.322  -9.322
  627   2HD   PRO  83           HD1      PRO  83  -5.630 -10.231 -10.231
  628    H    THR  84           HN       THR  84  -6.517  -4.558  -4.558
  629    HA   THR  84           HA       THR  84  -4.887  -4.274  -4.274
  630    HB   THR  84           HB       THR  84  -6.666  -2.127  -2.127
  631    HG1  THR  84           HG1      THR  84  -8.483  -3.222  -3.222
  632   1HG2  THR  84          HG21      THR  84  -5.347  -2.143  -2.143
  633   2HG2  THR  84          HG23      THR  84  -6.568  -3.287  -3.287
  634   3HG2  THR  84          HG22      THR  84  -7.043  -1.663  -1.663
  635    H    ILE  85           HN       ILE  85  -2.777  -3.807  -3.807
  636    HA   ILE  85           HA       ILE  85  -2.365  -1.849  -1.849
  637    HB   ILE  85           HB       ILE  85  -0.502  -3.651  -3.651
  638   1HG1  ILE  85          HG12      ILE  85  -0.449  -4.712  -4.712
  639   2HG1  ILE  85          HG11      ILE  85  -2.006  -3.902  -3.902
  640   1HG2  ILE  85          HG22      ILE  85   0.038  -1.403  -1.403
  641   2HG2  ILE  85          HG21      ILE  85   0.549  -2.866  -2.866
  642   3HG2  ILE  85          HG23      ILE  85   1.191  -2.500  -2.500
  643   1HD1  ILE  85          HD13      ILE  85  -1.613  -5.407  -5.407
  644   2HD1  ILE  85          HD12      ILE  85  -1.734  -6.385  -6.385
  645   3HD1  ILE  85          HD11      ILE  85  -3.042  -5.285  -5.285
  646    H    LYS  86           HN       LYS  86  -1.918   0.251   0.251
  647    HA   LYS  86           HA       LYS  86  -0.748   0.889   0.889
  648   1HB   LYS  86           HB2      LYS  86  -3.266   1.599   1.599
  649   2HB   LYS  86           HB1      LYS  86  -2.307   3.061   3.061
  650   1HG   LYS  86           HG1      LYS  86  -2.971   3.012   3.012
  651   2HG   LYS  86           HG2      LYS  86  -1.920   1.612   1.612
  652   1HD   LYS  86           HD2      LYS  86  -4.004   0.808   0.808
  653   2HD   LYS  86           HD1      LYS  86  -3.941   0.258   0.258
  654   1HE   LYS  86           HE2      LYS  86  -5.138   2.485   2.485
  655   2HE   LYS  86           HE1      LYS  86  -5.510   2.568   2.568
  656   1HZ   LYS  86           HZ1      LYS  86  -6.267   0.192   0.192
  657   2HZ   LYS  86           HZ3      LYS  86  -6.178   0.389   0.389
  658   3HZ   LYS  86           HZ2      LYS  86  -7.256   1.337   1.337
  659    H    PHE  87           HN       PHE  87   0.759   2.671   2.671
  660    HA   PHE  87           HA       PHE  87   1.855   3.265   3.265
  661   1HB   PHE  87           HB2      PHE  87   3.323   2.256   2.256
  662   2HB   PHE  87           HB1      PHE  87   2.974   3.589   3.589
  663    HD1  PHE  87           HD1      PHE  87   3.579   3.672   3.672
  664    HD2  PHE  87           HD2      PHE  87   5.037   4.739   4.739
  665    HE1  PHE  87           HE1      PHE  87   5.393   5.005   5.005
  666    HE2  PHE  87           HE2      PHE  87   6.852   6.071   6.071
  667    HZ   PHE  87           HZ       PHE  87   7.039   6.202   6.202
  668    H    PHE  88           HN       PHE  88   1.307   5.204   5.204
  669    HA   PHE  88           HA       PHE  88   0.616   7.455   7.455
  670   1HB   PHE  88           HB2      PHE  88  -0.255   6.605   6.605
  671   2HB   PHE  88           HB1      PHE  88  -0.563   8.231   8.231
  672    HD1  PHE  88           HD2      PHE  88  -1.690   8.412   8.412
  673    HD2  PHE  88           HD1      PHE  88  -1.748   4.878   4.878
  674    HE1  PHE  88           HE2      PHE  88  -3.651   7.571   7.571
  675    HE2  PHE  88           HE1      PHE  88  -3.708   4.037   4.037
  676    HZ   PHE  88           HZ       PHE  88  -4.660   5.383   5.383
  677    H    ARG  89           HN       ARG  89   2.312   8.909   8.909
  678    HA   ARG  89           HA       ARG  89   4.049   9.238   9.238
  679   1HB   ARG  89           HB1      ARG  89   5.722   9.933   9.933
  680   2HB   ARG  89           HB2      ARG  89   5.030   8.394   8.394
  681   1HG   ARG  89           HG2      ARG  89   3.350  10.255  10.255
  682   2HG   ARG  89           HG1      ARG  89   4.945  10.990  10.990
  683   1HD   ARG  89           HD2      ARG  89   5.805   8.852   8.852
  684   2HD   ARG  89           HD1      ARG  89   4.157   8.196   8.196
  685    HE   ARG  89           HE       ARG  89   3.618   9.555   9.555
  686   1HH1  ARG  89          HH21      ARG  89   4.011  12.211  12.211
  687   2HH1  ARG  89          HH22      ARG  89   5.384  12.812  12.812
  688   1HH2  ARG  89          HH11      ARG  89   6.439   9.671   9.671
  689   2HH2  ARG  89          HH12      ARG  89   6.759  11.374  11.374
  690    H    ASN  90           HN       ASN  90   3.575  11.034  11.034
  691    HA   ASN  90           HA       ASN  90   2.806  13.205  13.205
  692   1HB   ASN  90           HB1      ASN  90   5.132  13.287  13.287
  693   2HB   ASN  90           HB2      ASN  90   4.321  13.855  13.855
  694   1HD2  ASN  90          HD22      ASN  90   3.518  17.058  17.058
  695   2HD2  ASN  90          HD21      ASN  90   3.086  15.937  15.937
  696    H    GLY  91           HN       GLY  91   0.548  12.309  12.309
  697   1HA   GLY  91           HA2      GLY  91  -1.382  12.728  12.728
  698   2HA   GLY  91           HA1      GLY  91  -0.850  14.403  14.403
  699    H    ASP  92           HN       ASP  92  -0.774  11.490  11.490
  700    HA   ASP  92           HA       ASP  92   0.518  12.977  12.977
  701   1HB   ASP  92           HB1      ASP  92   1.083  10.586  10.586
  702   2HB   ASP  92           HB2      ASP  92  -0.377  10.094  10.094
  703    H    THR  93           HN       THR  93  -2.358  10.906  10.906
  704    HA   THR  93           HA       THR  93  -4.438  10.856  10.856
  705    HB   THR  93           HB       THR  93  -4.477  13.657  13.657
  706    HG1  THR  93           HG1      THR  93  -3.485  14.556  14.556
  707   1HG2  THR  93          HG22      THR  93  -5.758  12.096  12.096
  708   2HG2  THR  93          HG21      THR  93  -6.238  13.711  13.711
  709   3HG2  THR  93          HG23      THR  93  -6.436  12.340  12.340
  710    H    ALA  94           HN       ALA  94  -5.503  11.863  11.863
  711    HA   ALA  94           HA       ALA  94  -5.442  12.023  12.023
  712   1HB   ALA  94           HB3      ALA  94  -3.180  13.340  13.340
  713   2HB   ALA  94           HB2      ALA  94  -2.530  12.209  12.209
  714   3HB   ALA  94           HB1      ALA  94  -3.767  13.373  13.373
  715    H    SER  95           HN       SER  95  -2.482  10.320  10.320
  716    HA   SER  95           HA       SER  95  -3.427   7.756   7.756
  717   1HB   SER  95           HB1      SER  95  -2.665   9.476   9.476
  718   2HB   SER  95           HB2      SER  95  -1.108   8.731   8.731
  719    HG   SER  95           HG       SER  95  -3.505   7.323   7.323
  720    HA   PRO  96           HA       PRO  96   0.033   7.537   7.537
  721   1HB   PRO  96           HB2      PRO  96  -1.001   5.438   5.438
  722   2HB   PRO  96           HB1      PRO  96  -1.446   7.125   7.125
  723   1HG   PRO  96           HG2      PRO  96  -2.919   5.013   5.013
  724   2HG   PRO  96           HG1      PRO  96  -3.541   6.279   6.279
  725   1HD   PRO  96           HD2      PRO  96  -3.632   6.409   6.409
  726   2HD   PRO  96           HD1      PRO  96  -3.616   7.832   7.832
  727    H    LYS  97           HN       LYS  97   1.354   5.459   5.459
  728    HA   LYS  97           HA       LYS  97   1.830   3.983   3.983
  729   1HB   LYS  97           HB2      LYS  97   3.211   4.699   4.699
  730   2HB   LYS  97           HB1      LYS  97   3.496   3.017   3.017
  731   1HG   LYS  97           HG2      LYS  97   4.676   3.579   3.579
  732   2HG   LYS  97           HG1      LYS  97   3.632   4.953   4.953
  733   1HD   LYS  97           HD2      LYS  97   4.734   6.329   6.329
  734   2HD   LYS  97           HD1      LYS  97   5.630   4.950   4.950
  735   1HE   LYS  97           HE2      LYS  97   7.293   5.580   5.580
  736   2HE   LYS  97           HE1      LYS  97   6.263   4.938   4.938
  737   1HZ   LYS  97           HZ1      LYS  97   5.117   7.095   7.095
  738   2HZ   LYS  97           HZ3      LYS  97   6.205   7.703   7.703
  739   3HZ   LYS  97           HZ2      LYS  97   6.765   7.242   7.242
  740    H    GLU  98           HN       GLU  98   2.159   1.541   1.541
  741    HA   GLU  98           HA       GLU  98   0.125   0.338   0.338
  742   1HB   GLU  98           HB2      GLU  98  -0.558   0.511   0.511
  743   2HB   GLU  98           HB1      GLU  98   0.859  -0.438  -0.438
  744   1HG   GLU  98           HG1      GLU  98  -0.894  -2.026  -2.026
  745   2HG   GLU  98           HG2      GLU  98  -0.028  -2.211  -2.211
  746    H    TYR  99           HN       TYR  99   0.618  -1.837  -1.837
  747    HA   TYR  99           HA       TYR  99   3.525  -2.368  -2.368
  748   1HB   TYR  99           HB1      TYR  99   1.986  -2.361  -2.361
  749   2HB   TYR  99           HB2      TYR  99   1.105  -3.710  -3.710
  750    HD1  TYR  99           HD2      TYR  99   4.781  -3.035  -3.035
  751    HD2  TYR  99           HD1      TYR  99   1.558  -5.563  -5.563
  752    HE1  TYR  99           HE2      TYR  99   6.417  -4.619  -4.619
  753    HE2  TYR  99           HE1      TYR  99   3.194  -7.147  -7.147
  754    HH   TYR  99           HH       TYR  99   6.560  -6.358  -6.358
  755    H    THR 100           HN       THR 100   4.492  -4.274  -4.274
  756    HA   THR 100           HA       THR 100   2.916  -6.433  -6.433
  757    HB   THR 100           HB       THR 100   2.636  -4.785  -4.785
  758    HG1  THR 100           HG1      THR 100   3.513  -5.919  -5.919
  759   1HG2  THR 100          HG21      THR 100   4.522  -3.318  -3.318
  760   2HG2  THR 100          HG23      THR 100   5.649  -4.456  -4.456
  761   3HG2  THR 100          HG22      THR 100   4.497  -3.580  -3.580
  762    H    ALA 101           HN       ALA 101   4.506  -7.272  -7.272
  763    HA   ALA 101           HA       ALA 101   7.199  -7.759  -7.759
  764   1HB   ALA 101           HB3      ALA 101   6.233  -7.021  -7.021
  765   2HB   ALA 101           HB2      ALA 101   7.534  -8.211  -8.211
  766   3HB   ALA 101           HB1      ALA 101   7.759  -6.628  -6.628
  767    H    GLY 102           HN       GLY 102   5.742  -9.330  -9.330
  768   1HA   GLY 102           HA2      GLY 102   5.324 -11.816 -11.816
  769   2HA   GLY 102           HA1      GLY 102   6.455 -11.881 -11.881
  770    H    ARG 103           HN       ARG 103   5.607 -12.305 -12.305
  771    HA   ARG 103           HA       ARG 103   2.885 -11.481 -11.481
  772   1HB   ARG 103           HB2      ARG 103   3.285 -13.883 -13.883
  773   2HB   ARG 103           HB1      ARG 103   3.084 -14.372 -14.372
  774   1HG   ARG 103           HG2      ARG 103   0.881 -13.880 -13.880
  775   2HG   ARG 103           HG1      ARG 103   1.180 -12.295 -12.295
  776   1HD   ARG 103           HD2      ARG 103   1.034 -13.112 -13.112
  777   2HD   ARG 103           HD1      ARG 103   1.402 -14.777 -14.777
  778    HE   ARG 103           HE       ARG 103  -1.186 -13.390 -13.390
  779   1HH1  ARG 103          HH21      ARG 103   0.591 -16.067 -16.067
  780   2HH1  ARG 103          HH22      ARG 103  -0.621 -17.239 -17.239
  781   1HH2  ARG 103          HH11      ARG 103  -2.687 -14.947 -14.947
  782   2HH2  ARG 103          HH12      ARG 103  -2.480 -16.602 -16.602
  783    H    GLU 104           HN       GLU 104   5.547 -11.088 -11.088
  784    HA   GLU 104           HA       GLU 104   5.029 -12.166 -12.166
  785   1HB   GLU 104           HB2      GLU 104   7.363 -13.027 -13.027
  786   2HB   GLU 104           HB1      GLU 104   6.421 -13.842 -13.842
  787   1HG   GLU 104           HG1      GLU 104   7.391 -11.847 -11.847
  788   2HG   GLU 104           HG2      GLU 104   8.671 -11.898 -11.898
  789    H    ALA 105           HN       ALA 105   6.285 -10.992 -10.992
  790    HA   ALA 105           HA       ALA 105   6.409  -8.209  -8.209
  791   1HB   ALA 105           HB2      ALA 105   6.682  -9.945  -9.945
  792   2HB   ALA 105           HB1      ALA 105   8.395  -9.621  -9.621
  793   3HB   ALA 105           HB3      ALA 105   7.300  -8.299  -8.299
  794    H    ASP 106           HN       ASP 106   8.985 -10.594 -10.594
  795    HA   ASP 106           HA       ASP 106  11.122  -8.744  -8.744
  796   1HB   ASP 106           HB2      ASP 106  10.448 -11.571 -11.571
  797   2HB   ASP 106           HB1      ASP 106  11.733 -10.859 -10.859
  798    H    ASP 107           HN       ASP 107   8.543  -9.876  -9.876
  799    HA   ASP 107           HA       ASP 107   9.683  -8.847  -8.847
  800   1HB   ASP 107           HB1      ASP 107   7.170 -10.026 -10.026
  801   2HB   ASP 107           HB2      ASP 107   6.962  -8.934  -8.934
  802    H    ILE 108           HN       ILE 108   7.602  -7.513  -7.513
  803    HA   ILE 108           HA       ILE 108   6.856  -5.106  -5.106
  804    HB   ILE 108           HB       ILE 108   7.033  -5.807  -5.807
  805   1HG1  ILE 108          HG12      ILE 108   4.736  -5.904  -5.904
  806   2HG1  ILE 108          HG11      ILE 108   5.562  -7.301  -7.301
  807   1HG2  ILE 108          HG22      ILE 108   6.369  -3.340  -3.340
  808   2HG2  ILE 108          HG21      ILE 108   4.987  -3.939  -3.939
  809   3HG2  ILE 108          HG23      ILE 108   6.524  -3.637  -3.637
  810   1HD1  ILE 108          HD11      ILE 108   4.883  -6.497  -6.497
  811   2HD1  ILE 108          HD13      ILE 108   3.934  -5.230  -5.230
  812   3HD1  ILE 108          HD12      ILE 108   3.516  -6.926  -6.926
  813    H    VAL 109           HN       VAL 109   9.404  -5.861  -5.861
  814    HA   VAL 109           HA       VAL 109  10.513  -3.250  -3.250
  815    HB   VAL 109           HB       VAL 109  11.801  -5.998  -5.998
  816   1HG1  VAL 109          HG23      VAL 109  13.437  -4.136  -4.136
  817   2HG1  VAL 109          HG22      VAL 109  12.694  -3.358  -3.358
  818   3HG1  VAL 109          HG21      VAL 109  13.509  -4.911  -4.911
  819   1HG2  VAL 109          HG11      VAL 109  10.475  -4.247  -4.247
  820   2HG2  VAL 109          HG13      VAL 109   9.942  -5.837  -5.837
  821   3HG2  VAL 109          HG12      VAL 109  11.432  -5.676  -5.676
  822    H    ASN 110           HN       ASN 110  11.123  -5.850  -5.850
  823    HA   ASN 110           HA       ASN 110  13.352  -4.702  -4.702
  824   1HB   ASN 110           HB1      ASN 110  11.284  -6.751  -6.751
  825   2HB   ASN 110           HB2      ASN 110  11.898  -6.054  -6.054
  826   1HD2  ASN 110          HD22      ASN 110  14.445  -8.214  -8.214
  827   2HD2  ASN 110          HD21      ASN 110  13.002  -7.602  -7.602
  828    H    TRP 111           HN       TRP 111   9.860  -4.362  -4.362
  829    HA   TRP 111           HA       TRP 111  10.096  -2.619  -2.619
  830   1HB   TRP 111           HB1      TRP 111   8.113  -4.003  -4.003
  831   2HB   TRP 111           HB2      TRP 111   7.848  -2.663  -2.663
  832    HD1  TRP 111           HD1      TRP 111   7.610  -3.614  -3.614
  833    HE1  TRP 111           HE1      TRP 111   6.350  -1.759  -1.759
  834    HE3  TRP 111           HE3      TRP 111   7.317  -0.072  -0.072
  835    HZ2  TRP 111           HZ2      TRP 111   5.348   0.878   0.878
  836    HZ3  TRP 111           HZ3      TRP 111   6.206   2.100   2.100
  837    HH2  TRP 111           HH2      TRP 111   5.222   2.579   2.579
  838    H    LEU 112           HN       LEU 112  10.210  -2.083  -2.083
  839    HA   LEU 112           HA       LEU 112   9.901   0.835   0.835
  840   1HB   LEU 112           HB2      LEU 112  10.349  -1.211  -1.211
  841   2HB   LEU 112           HB1      LEU 112  10.604   0.497   0.497
  842    HG   LEU 112           HG       LEU 112   8.157   0.266   0.266
  843   1HD1  LEU 112          HD13      LEU 112   8.698  -1.949  -1.949
  844   2HD1  LEU 112          HD12      LEU 112   7.200  -1.082  -1.082
  845   3HD1  LEU 112          HD11      LEU 112   7.460  -1.807  -1.807
  846   1HD2  LEU 112          HD23      LEU 112   9.086   1.845   1.845
  847   2HD2  LEU 112          HD22      LEU 112   7.352   1.569   1.569
  848   3HD2  LEU 112          HD21      LEU 112   8.273   0.686   0.686
  849    H    LYS 113           HN       LYS 113  12.521  -1.485  -1.485
  850    HA   LYS 113           HA       LYS 113  14.519   0.703   0.703
  851   1HB   LYS 113           HB2      LYS 113  14.257  -2.104  -2.104
  852   2HB   LYS 113           HB1      LYS 113  15.854  -1.686  -1.686
  853   1HG   LYS 113           HG2      LYS 113  16.326  -0.365  -0.365
  854   2HG   LYS 113           HG1      LYS 113  14.716   0.356   0.356
  855   1HD   LYS 113           HD2      LYS 113  13.974  -1.066  -1.066
  856   2HD   LYS 113           HD1      LYS 113  14.684  -2.463  -2.463
  857   1HE   LYS 113           HE2      LYS 113  15.911  -2.348  -2.348
  858   2HE   LYS 113           HE1      LYS 113  16.963  -1.484  -1.484
  859   1HZ   LYS 113           HZ3      LYS 113  15.597   0.553   0.553
  860   2HZ   LYS 113           HZ2      LYS 113  15.079  -0.355  -0.355
  861   3HZ   LYS 113           HZ1      LYS 113  16.730  -0.007  -0.007
  862    H    LYS 114           HN       LYS 114  13.003  -0.343  -0.343
  863    HA   LYS 114           HA       LYS 114  15.109  -1.574  -1.574
  864   1HB   LYS 114           HB2      LYS 114  12.302  -1.289  -1.289
  865   2HB   LYS 114           HB1      LYS 114  12.867  -0.443  -0.443
  866   1HG   LYS 114           HG2      LYS 114  14.234  -2.469  -2.469
  867   2HG   LYS 114           HG1      LYS 114  13.481  -3.307  -3.307
  868   1HD   LYS 114           HD2      LYS 114  11.257  -2.397  -2.397
  869   2HD   LYS 114           HD1      LYS 114  12.309  -2.510  -2.510
  870   1HE   LYS 114           HE2      LYS 114  12.882  -4.886  -4.886
  871   2HE   LYS 114           HE1      LYS 114  11.484  -4.726  -4.726
  872   1HZ   LYS 114           HZ3      LYS 114  10.264  -3.908  -3.908
  873   2HZ   LYS 114           HZ2      LYS 114  11.548  -4.569  -4.569
  874   3HZ   LYS 114           HZ1      LYS 114  10.590  -5.570  -5.570
  875    H    ARG 115           HN       ARG 115  13.778   1.662   1.662
  876    HA   ARG 115           HA       ARG 115  15.793   2.718   2.718
  877   1HB   ARG 115           HB2      ARG 115  13.016   2.853   2.853
  878   2HB   ARG 115           HB1      ARG 115  13.491   4.422   4.422
  879   1HG   ARG 115           HG2      ARG 115  13.466   4.680   4.680
  880   2HG   ARG 115           HG1      ARG 115  15.165   4.565   4.565
  881   1HD   ARG 115           HD2      ARG 115  15.311   2.891   2.891
  882   2HD   ARG 115           HD1      ARG 115  14.391   1.903   1.903
  883    HE   ARG 115           HE       ARG 115  12.309   2.810   2.810
  884   1HH1  ARG 115          HH21      ARG 115  14.569   4.531   4.531
  885   2HH1  ARG 115          HH22      ARG 115  14.256   3.922   3.922
  886   1HH2  ARG 115          HH11      ARG 115  12.237   1.327   1.327
  887   2HH2  ARG 115          HH12      ARG 115  12.937   2.109   2.109
  888    H    THR 116           HN       THR 116  14.186   3.167   3.167
  889    HA   THR 116           HA       THR 116  15.206   5.663   5.663
  890    HB   THR 116           HB       THR 116  15.111   3.344   3.344
  891    HG1  THR 116           HG1      THR 116  13.217   2.809   2.809
  892   1HG2  THR 116          HG23      THR 116  15.262   6.018   6.018
  893   2HG2  THR 116          HG22      THR 116  13.510   5.815   5.815
  894   3HG2  THR 116          HG21      THR 116  14.479   4.935   4.935
  895    H    GLY 117           HN       GLY 117  16.865   2.596   2.596
  896   1HA   GLY 117           HA1      GLY 117  19.127   3.158   3.158
  897   2HA   GLY 117           HA2      GLY 117  19.112   2.002   2.002
  898    HA   PRO 118           HA       PRO 118  21.427   5.992   5.992
  899   1HB   PRO 118           HB1      PRO 118  24.005   5.130   5.130
  900   2HB   PRO 118           HB2      PRO 118  23.090   5.925   5.925
  901   1HG   PRO 118           HG2      PRO 118  23.655   3.032   3.032
  902   2HG   PRO 118           HG1      PRO 118  23.598   3.957   3.957
  903   1HD   PRO 118           HD2      PRO 118  21.576   2.331   2.331
  904   2HD   PRO 118           HD1      PRO 118  21.331   3.736   3.736
  905    H    ALA 119           HN       ALA 119  22.505   2.637   2.637
  906    HA   ALA 119           HA       ALA 119  22.005   2.782   2.782
  907   1HB   ALA 119           HB2      ALA 119  24.750   3.315   3.315
  908   2HB   ALA 119           HB1      ALA 119  24.573   2.583   2.583
  909   3HB   ALA 119           HB3      ALA 119  23.893   4.179   4.179
  910    H    ALA 120           HN       ALA 120  20.997   0.732   0.732
  911    HA   ALA 120           HA       ALA 120  22.360  -1.432  -1.432
  912   1HB   ALA 120           HB3      ALA 120  19.950  -0.937  -0.937
  913   2HB   ALA 120           HB2      ALA 120  20.560  -2.588  -2.588
  914   3HB   ALA 120           HB1      ALA 120  20.137  -1.908  -1.908

  Start of MODEL   27
    1   1H    ASP   1           HT2      ASP   1  -8.347   9.448   9.448
    2   2H    ASP   1           HT1      ASP   1  -9.687   8.480   8.480
    3   3H    ASP   1           HT3      ASP   1  -9.914  10.102  10.102
    4    HA   ASP   1           HA       ASP   1  -9.220   9.670   9.670
    5   1HB   ASP   1           HB1      ASP   1 -11.546   9.051   9.051
    6   2HB   ASP   1           HB2      ASP   1 -11.068   7.415   7.415
    7    H    ALA   2           HN       ALA   2  -6.931   8.771   8.771
    8    HA   ALA   2           HA       ALA   2  -5.325   7.076   7.076
    9   1HB   ALA   2           HB2      ALA   2  -7.132   7.101   7.101
   10   2HB   ALA   2           HB1      ALA   2  -7.433   5.473   5.473
   11   3HB   ALA   2           HB3      ALA   2  -5.822   5.920   5.920
   12    HA   PRO   3           HA       PRO   3  -6.855   4.382   4.382
   13   1HB   PRO   3           HB2      PRO   3  -4.471   4.229   4.229
   14   2HB   PRO   3           HB1      PRO   3  -5.604   5.578   5.578
   15   1HG   PRO   3           HG2      PRO   3  -3.084   5.431   5.431
   16   2HG   PRO   3           HG1      PRO   3  -3.783   6.791   6.791
   17   1HD   PRO   3           HD1      PRO   3  -3.895   6.468   6.468
   18   2HD   PRO   3           HD2      PRO   3  -4.989   7.492   7.492
   19    H    GLU   4           HN       GLU   4  -6.715   2.118   2.118
   20    HA   GLU   4           HA       GLU   4  -5.450   0.720   0.720
   21   1HB   GLU   4           HB1      GLU   4  -7.263   0.118   0.118
   22   2HB   GLU   4           HB2      GLU   4  -5.862  -0.567  -0.567
   23   1HG   GLU   4           HG2      GLU   4  -7.254  -1.492  -1.492
   24   2HG   GLU   4           HG1      GLU   4  -6.303  -2.408  -2.408
   25    H    GLU   5           HN       GLU   5  -3.493  -0.527  -0.527
   26    HA   GLU   5           HA       GLU   5  -1.535   0.033   0.033
   27   1HB   GLU   5           HB2      GLU   5  -1.305   0.344   0.344
   28   2HB   GLU   5           HB1      GLU   5   0.121   0.225   0.225
   29   1HG   GLU   5           HG2      GLU   5  -0.613   2.174   2.174
   30   2HG   GLU   5           HG1      GLU   5  -2.097   2.268   2.268
   31    H    GLU   6           HN       GLU   6  -0.660  -1.851  -1.851
   32   1HB   GLU   6           HB1      GLU   6  -0.714  -3.466  -3.466
   33   2HB   GLU   6           HB2      GLU   6   0.374  -4.807  -4.807
   34   1HG   GLU   6           HG2      GLU   6  -2.325  -5.026  -5.026
   35   2HG   GLU   6           HG1      GLU   6  -1.335  -6.287  -6.287
   36    HE1  GLU   6           HA       GLU   6  -1.050  -4.361  -4.361
   37    H    ASP   7           HN       ASP   7   1.259  -5.744  -5.744
   38    HA   ASP   7           HA       ASP   7   3.183  -5.281  -5.281
   39   1HB   ASP   7           HB2      ASP   7   4.367  -6.214  -6.214
   40   2HB   ASP   7           HB1      ASP   7   2.778  -6.940  -6.940
   41    H    HIS   8           HN       HIS   8   3.632  -4.417  -4.417
   42    HA   HIS   8           HA       HIS   8   5.093  -1.951  -1.951
   43   1HB   HIS   8           HB2      HIS   8   5.851  -4.082  -4.082
   44   2HB   HIS   8           HB1      HIS   8   6.633  -2.501  -2.501
   45    HD1  HIS   8           HD1      HIS   8   7.409  -5.698  -5.698
   46    HD2  HIS   8           HD2      HIS   8   7.231  -2.098  -2.098
   47    HE1  HIS   8           HE1      HIS   8   8.829  -6.006  -6.006
   48    H    VAL   9           HN       VAL   9   2.325  -2.410  -2.410
   49    HA   VAL   9           HA       VAL   9   2.394  -0.557  -0.557
   50    HB   VAL   9           HB       VAL   9   1.042  -3.268  -3.268
   51   1HG1  VAL   9          HG11      VAL   9   0.656  -1.031  -1.031
   52   2HG1  VAL   9          HG13      VAL   9   0.239  -2.705  -2.705
   53   3HG1  VAL   9          HG12      VAL   9  -0.577  -1.853  -1.853
   54   1HG2  VAL   9          HG21      VAL   9   3.286  -2.095  -2.095
   55   2HG2  VAL   9          HG23      VAL   9   3.209  -3.644  -3.644
   56   3HG2  VAL   9          HG22      VAL   9   2.329  -3.416  -3.416
   57    H    LEU  10           HN       LEU  10   0.039   0.238   0.238
   58    HA   LEU  10           HA       LEU  10  -1.665   0.057   0.057
   59   1HB   LEU  10           HB2      LEU  10  -1.704   2.412   2.412
   60   2HB   LEU  10           HB1      LEU  10  -0.015   1.965   1.965
   61    HG   LEU  10           HG       LEU  10  -0.293   4.001   4.001
   62   1HD1  LEU  10          HD11      LEU  10   0.897   1.999   1.999
   63   2HD1  LEU  10          HD13      LEU  10  -0.477   2.036   2.036
   64   3HD1  LEU  10          HD12      LEU  10   0.554   3.453   3.453
   65   1HD2  LEU  10          HD23      LEU  10  -2.920   3.164   3.164
   66   2HD2  LEU  10          HD22      LEU  10  -2.195   4.649   4.649
   67   3HD2  LEU  10          HD21      LEU  10  -2.240   3.205   3.205
   68    H    VAL  11           HN       VAL  11  -3.847   0.277   0.277
   69    HA   VAL  11           HA       VAL  11  -4.699   0.020   0.020
   70    HB   VAL  11           HB       VAL  11  -6.250   0.371   0.371
   71   1HG1  VAL  11          HG12      VAL  11  -7.339   0.624   0.624
   72   2HG1  VAL  11          HG11      VAL  11  -7.211  -1.134  -1.134
   73   3HG1  VAL  11          HG13      VAL  11  -8.147  -0.329  -0.329
   74   1HG2  VAL  11          HG22      VAL  11  -4.638  -1.531  -1.531
   75   2HG2  VAL  11          HG21      VAL  11  -6.316  -2.072  -2.072
   76   3HG2  VAL  11          HG23      VAL  11  -5.396  -2.158  -2.158
   77    H    LEU  12           HN       LEU  12  -6.022   1.513   1.513
   78    HA   LEU  12           HA       LEU  12  -5.790   4.348   4.348
   79   1HB   LEU  12           HB1      LEU  12  -5.301   2.988   2.988
   80   2HB   LEU  12           HB2      LEU  12  -6.764   3.920   3.920
   81    HG   LEU  12           HG       LEU  12  -5.649   5.965   5.965
   82   1HD1  LEU  12          HD12      LEU  12  -3.522   4.011   4.011
   83   2HD1  LEU  12          HD11      LEU  12  -3.023   5.619   5.619
   84   3HD1  LEU  12          HD13      LEU  12  -4.106   5.438   5.438
   85   1HD2  LEU  12          HD21      LEU  12  -4.186   4.291   4.291
   86   2HD2  LEU  12          HD23      LEU  12  -5.375   5.563   5.563
   87   3HD2  LEU  12          HD22      LEU  12  -3.763   5.977   5.977
   88    H    ARG  13           HN       ARG  13  -7.723   5.489   5.489
   89    HA   ARG  13           HA       ARG  13 -10.322   4.188   4.188
   90   1HB   ARG  13           HB1      ARG  13  -9.134   5.335   5.335
   91   2HB   ARG  13           HB2      ARG  13 -10.360   6.493   6.493
   92   1HG   ARG  13           HG2      ARG  13 -12.053   4.713   4.713
   93   2HG   ARG  13           HG1      ARG  13 -10.833   3.526   3.526
   94   1HD   ARG  13           HD2      ARG  13 -10.496   4.613   4.613
   95   2HD   ARG  13           HD1      ARG  13 -11.569   5.946   5.946
   96    HE   ARG  13           HE       ARG  13 -13.071   3.615   3.615
   97   1HH1  ARG  13          HH11      ARG  13 -13.043   5.973   5.973
   98   2HH1  ARG  13          HH12      ARG  13 -13.373   5.006   5.006
   99   1HH2  ARG  13          HH21      ARG  13 -12.793   1.994   1.994
  100   2HH2  ARG  13          HH22      ARG  13 -13.231   2.755   2.755
  101    H    LYS  14           HN       LYS  14 -11.769   6.669   6.669
  102    HA   LYS  14           HA       LYS  14 -11.613   7.765   7.765
  103   1HB   LYS  14           HB2      LYS  14 -13.319   8.105   8.105
  104   2HB   LYS  14           HB1      LYS  14 -13.501   9.211   9.211
  105   1HG   LYS  14           HG2      LYS  14 -13.562   6.945   6.945
  106   2HG   LYS  14           HG1      LYS  14 -14.089   6.279   6.279
  107   1HD   LYS  14           HD1      LYS  14 -15.367   8.627   8.627
  108   2HD   LYS  14           HD2      LYS  14 -16.023   6.992   6.992
  109   1HE   LYS  14           HE2      LYS  14 -16.284   7.146   7.146
  110   2HE   LYS  14           HE1      LYS  14 -15.458   8.717   8.717
  111   1HZ   LYS  14           HZ3      LYS  14 -17.937   8.112   8.112
  112   2HZ   LYS  14           HZ2      LYS  14 -17.885   8.965   8.965
  113   3HZ   LYS  14           HZ1      LYS  14 -17.154   9.615   9.615
  114    H    SER  15           HN       SER  15 -10.790   8.850   8.850
  115    HA   SER  15           HA       SER  15  -9.945  11.500  11.500
  116   1HB   SER  15           HB2      SER  15 -11.055  10.424  10.424
  117   2HB   SER  15           HB1      SER  15  -9.558  11.286  11.286
  118    HG   SER  15           HG       SER  15 -11.809  12.400  12.400
  119    H    ASN  16           HN       ASN  16  -8.618   8.456   8.456
  120    HA   ASN  16           HA       ASN  16  -5.992   9.514   9.514
  121   1HB   ASN  16           HB1      ASN  16  -7.008   6.725   6.725
  122   2HB   ASN  16           HB2      ASN  16  -5.465   7.094   7.094
  123   1HD2  ASN  16          HD22      ASN  16  -7.704   6.433   6.433
  124   2HD2  ASN  16          HD21      ASN  16  -6.881   5.563   5.563
  125    H    PHE  17           HN       PHE  17  -7.538   8.294   8.294
  126    HA   PHE  17           HA       PHE  17  -5.262   7.624   7.624
  127   1HB   PHE  17           HB2      PHE  17  -7.699   7.244   7.244
  128   2HB   PHE  17           HB1      PHE  17  -7.835   8.959   8.959
  129    HD1  PHE  17           HD2      PHE  17  -6.599   9.913   9.913
  130    HD2  PHE  17           HD1      PHE  17  -6.582   5.702   5.702
  131    HE1  PHE  17           HE2      PHE  17  -5.748   9.463   9.463
  132    HE2  PHE  17           HE1      PHE  17  -5.731   5.249   5.249
  133    HZ   PHE  17           HZ       PHE  17  -5.293   7.126   7.126
  134    H    ALA  18           HN       ALA  18  -7.110  10.684  10.684
  135    HA   ALA  18           HA       ALA  18  -5.195  12.118  12.118
  136   1HB   ALA  18           HB3      ALA  18  -7.687  12.530  12.530
  137   2HB   ALA  18           HB2      ALA  18  -6.688  13.658  13.658
  138   3HB   ALA  18           HB1      ALA  18  -6.750  13.763  13.763
  139    H    GLU  19           HN       GLU  19  -5.387  11.540  11.540
  140    HA   GLU  19           HA       GLU  19  -3.459  13.485  13.485
  141   1HB   GLU  19           HB1      GLU  19  -5.096  12.280  12.280
  142   2HB   GLU  19           HB2      GLU  19  -4.220  10.778  10.778
  143   1HG   GLU  19           HG2      GLU  19  -2.498  11.362  11.362
  144   2HG   GLU  19           HG1      GLU  19  -2.597  13.070  13.070
  145    H    ALA  20           HN       ALA  20  -3.034   9.940   9.940
  146    HA   ALA  20           HA       ALA  20  -0.279   9.742   9.742
  147   1HB   ALA  20           HB1      ALA  20  -1.964   7.908   7.908
  148   2HB   ALA  20           HB3      ALA  20  -2.035   8.238   8.238
  149   3HB   ALA  20           HB2      ALA  20  -0.540   7.648   7.648
  150    H    LEU  21           HN       LEU  21  -2.048  10.372  10.372
  151    HA   LEU  21           HA       LEU  21   0.347  10.559  10.559
  152   1HB   LEU  21           HB1      LEU  21  -2.587  10.998  10.998
  153   2HB   LEU  21           HB2      LEU  21  -1.568  11.788  11.788
  154    HG   LEU  21           HG       LEU  21  -0.450   9.296   9.296
  155   1HD1  LEU  21          HD11      LEU  21  -2.535   8.788   8.788
  156   2HD1  LEU  21          HD13      LEU  21  -3.389   8.691   8.691
  157   3HD1  LEU  21          HD12      LEU  21  -2.028   7.617   7.617
  158   1HD2  LEU  21          HD21      LEU  21  -2.542  10.611  10.611
  159   2HD2  LEU  21          HD23      LEU  21  -0.897  10.137  10.137
  160   3HD2  LEU  21          HD22      LEU  21  -2.165   8.916   8.916
  161    H    ALA  22           HN       ALA  22  -1.860  12.957  12.957
  162    HA   ALA  22           HA       ALA  22  -0.211  15.204  15.204
  163   1HB   ALA  22           HB3      ALA  22  -2.751  15.102  15.102
  164   2HB   ALA  22           HB2      ALA  22  -2.532  15.196  15.196
  165   3HB   ALA  22           HB1      ALA  22  -1.997  16.525  16.525
  166    H    ALA  23           HN       ALA  23   0.448  13.049  13.049
  167    HA   ALA  23           HA       ALA  23   1.530  15.119  15.119
  168   1HB   ALA  23           HB2      ALA  23  -0.422  13.696  13.696
  169   2HB   ALA  23           HB1      ALA  23   0.641  12.296  12.296
  170   3HB   ALA  23           HB3      ALA  23   1.026  13.586  13.586
  171    H    HIS  24           HN       HIS  24   1.993  11.937  11.937
  172    HA   HIS  24           HA       HIS  24   4.895  12.060  12.060
  173   1HB   HIS  24           HB1      HIS  24   2.816   9.988   9.988
  174   2HB   HIS  24           HB2      HIS  24   4.306   9.498   9.498
  175    HD1  HIS  24           HD1      HIS  24   5.413   8.042   8.042
  176    HD2  HIS  24           HD2      HIS  24   4.089  11.655  11.655
  177    HE1  HIS  24           HE1      HIS  24   6.283   8.132   8.132
  178    H    LYS  25           HN       LYS  25   5.923  10.320  10.320
  179    HA   LYS  25           HA       LYS  25   5.393  11.731  11.731
  180   1HB   LYS  25           HB2      LYS  25   7.760  10.843  10.843
  181   2HB   LYS  25           HB1      LYS  25   7.823  10.438  10.438
  182   1HG   LYS  25           HG2      LYS  25   8.787  12.641  12.641
  183   2HG   LYS  25           HG1      LYS  25   7.216  12.834  12.834
  184   1HD   LYS  25           HD2      LYS  25   7.380  14.483  14.483
  185   2HD   LYS  25           HD1      LYS  25   6.225  13.251  13.251
  186   1HE   LYS  25           HE2      LYS  25   7.513  12.676  12.676
  187   2HE   LYS  25           HE1      LYS  25   8.966  12.563  12.563
  188   1HZ   LYS  25           HZ2      LYS  25   7.719  15.100  15.100
  189   2HZ   LYS  25           HZ1      LYS  25   9.112  14.402  14.402
  190   3HZ   LYS  25           HZ3      LYS  25   9.139  14.958  14.958
  191    H    TYR  26           HN       TYR  26   6.887   8.610   8.610
  192    HA   TYR  26           HA       TYR  26   5.509   7.304   7.304
  193   1HB   TYR  26           HB1      TYR  26   7.738   6.714   6.714
  194   2HB   TYR  26           HB2      TYR  26   7.006   5.381   5.381
  195    HD1  TYR  26           HD2      TYR  26   7.186   8.772   8.772
  196    HD2  TYR  26           HD1      TYR  26   9.053   4.902   4.902
  197    HE1  TYR  26           HE2      TYR  26   8.531   9.375   9.375
  198    HE2  TYR  26           HE1      TYR  26  10.392   5.505   5.505
  199    HH   TYR  26           HH       TYR  26  10.010   7.255   7.255
  200    H    LEU  27           HN       LEU  27   3.367   6.803   6.803
  201    HA   LEU  27           HA       LEU  27   2.970   5.321   5.321
  202   1HB   LEU  27           HB1      LEU  27   1.253   7.323   7.323
  203   2HB   LEU  27           HB2      LEU  27   0.615   6.314   6.314
  204    HG   LEU  27           HG       LEU  27   1.234   8.423   8.423
  205   1HD1  LEU  27          HD12      LEU  27   2.224   6.020   6.020
  206   2HD1  LEU  27          HD11      LEU  27   3.679   7.015   7.015
  207   3HD1  LEU  27          HD13      LEU  27   2.292   7.532   7.532
  208   1HD2  LEU  27          HD21      LEU  27   3.090   8.568   8.568
  209   2HD2  LEU  27          HD23      LEU  27   3.003   9.673   9.673
  210   3HD2  LEU  27          HD22      LEU  27   4.106   8.298   8.298
  211    H    LEU  28           HN       LEU  28   2.591   3.197   3.197
  212    HA   LEU  28           HA       LEU  28   1.299   2.501   2.501
  213   1HB   LEU  28           HB1      LEU  28   3.391   1.386   1.386
  214   2HB   LEU  28           HB2      LEU  28   2.641   0.857   0.857
  215    HG   LEU  28           HG       LEU  28   0.873  -0.286  -0.286
  216   1HD1  LEU  28          HD12      LEU  28   1.986   1.157   1.157
  217   2HD1  LEU  28          HD11      LEU  28   2.828  -0.382  -0.382
  218   3HD1  LEU  28          HD13      LEU  28   1.065  -0.328  -0.328
  219   1HD2  LEU  28          HD23      LEU  28   3.776  -1.140  -1.140
  220   2HD2  LEU  28          HD22      LEU  28   2.530  -1.638  -1.638
  221   3HD2  LEU  28          HD21      LEU  28   2.458  -2.185  -2.185
  222    H    VAL  29           HN       VAL  29  -0.801   1.732   1.732
  223    HA   VAL  29           HA       VAL  29  -2.103   1.051   1.051
  224    HB   VAL  29           HB       VAL  29  -3.096   2.778   2.778
  225   1HG1  VAL  29          HG23      VAL  29  -4.616   1.154   1.154
  226   2HG1  VAL  29          HG22      VAL  29  -4.728   2.774   2.774
  227   3HG1  VAL  29          HG21      VAL  29  -5.209   2.490   2.490
  228   1HG2  VAL  29          HG13      VAL  29  -1.507   3.870   3.870
  229   2HG2  VAL  29          HG12      VAL  29  -3.129   4.541   4.541
  230   3HG2  VAL  29          HG11      VAL  29  -2.518   3.396   3.396
  231    H    GLU  30           HN       GLU  30  -3.347  -0.803  -0.803
  232    HA   GLU  30           HA       GLU  30  -3.684  -2.120  -2.120
  233   1HB   GLU  30           HB1      GLU  30  -2.291  -3.290  -3.290
  234   2HB   GLU  30           HB2      GLU  30  -3.606  -3.210  -3.210
  235   1HG   GLU  30           HG1      GLU  30  -5.033  -4.502  -4.502
  236   2HG   GLU  30           HG2      GLU  30  -3.597  -4.713  -4.713
  237    H    PHE  31           HN       PHE  31  -5.773  -2.541  -2.541
  238    HA   PHE  31           HA       PHE  31  -8.003  -1.785  -1.785
  239   1HB   PHE  31           HB1      PHE  31  -7.621  -1.867  -1.867
  240   2HB   PHE  31           HB2      PHE  31  -9.193  -1.595  -1.595
  241    HD1  PHE  31           HD1      PHE  31  -9.182   0.248   0.248
  242    HD2  PHE  31           HD2      PHE  31  -6.314  -0.005  -0.005
  243    HE1  PHE  31           HE1      PHE  31  -8.617   2.642   2.642
  244    HE2  PHE  31           HE2      PHE  31  -5.749   2.388   2.388
  245    HZ   PHE  31           HZ       PHE  31  -6.900   3.714   3.714
  246    H    TYR  32           HN       TYR  32  -8.782  -3.676  -3.676
  247    HA   TYR  32           HA       TYR  32  -9.763  -5.795  -5.795
  248   1HB   TYR  32           HB1      TYR  32  -8.574  -7.545  -7.545
  249   2HB   TYR  32           HB2      TYR  32  -7.448  -6.424  -6.424
  250    HD1  TYR  32           HD2      TYR  32  -6.680  -4.385  -4.385
  251    HD2  TYR  32           HD1      TYR  32  -8.453  -7.954  -7.954
  252    HE1  TYR  32           HE2      TYR  32  -5.728  -3.858  -3.858
  253    HE2  TYR  32           HE1      TYR  32  -7.501  -7.428  -7.428
  254    HH   TYR  32           HH       TYR  32  -5.296  -5.920  -5.920
  255    H    ALA  33           HN       ALA  33 -10.605  -7.660  -7.660
  256    HA   ALA  33           HA       ALA  33 -12.227  -6.208  -6.208
  257   1HB   ALA  33           HB2      ALA  33 -13.167  -7.116  -7.116
  258   2HB   ALA  33           HB1      ALA  33 -13.319  -8.595  -8.595
  259   3HB   ALA  33           HB3      ALA  33 -14.143  -7.124  -7.124
  260    HA   PRO  34           HA       PRO  34 -11.067  -9.370  -9.370
  261   1HB   PRO  34           HB2      PRO  34 -13.403  -9.890  -9.890
  262   2HB   PRO  34           HB1      PRO  34 -12.454  -8.411  -8.411
  263   1HG   PRO  34           HG2      PRO  34 -14.894  -8.853  -8.853
  264   2HG   PRO  34           HG1      PRO  34 -14.483  -7.486  -7.486
  265   1HD   PRO  34           HD1      PRO  34 -14.207  -7.386  -7.386
  266   2HD   PRO  34           HD2      PRO  34 -13.141  -6.498  -6.498
  267    H    TRP  35           HN       TRP  35 -13.354 -10.010 -10.010
  268    HA   TRP  35           HA       TRP  35 -13.205 -12.949 -12.949
  269   1HB   TRP  35           HB1      TRP  35 -15.408 -13.061 -13.061
  270   2HB   TRP  35           HB2      TRP  35 -15.448 -11.949 -11.949
  271    HD1  TRP  35           HD1      TRP  35 -15.746  -9.391  -9.391
  272    HE1  TRP  35           HE1      TRP  35 -16.392  -8.069  -8.069
  273    HE3  TRP  35           HE3      TRP  35 -15.176 -13.039 -13.039
  274    HZ2  TRP  35           HZ2      TRP  35 -16.636  -8.503  -8.503
  275    HZ3  TRP  35           HZ3      TRP  35 -15.621 -12.558 -12.558
  276    HH2  TRP  35           HH2      TRP  35 -16.349 -10.297 -10.297
  277    H    CYS  36           HN       CYS  36 -11.868 -10.674 -10.674
  278    HA   CYS  36           HA       CYS  36 -12.250 -11.607 -11.607
  279   1HB   CYS  36           HB2      CYS  36 -10.048 -10.507 -10.507
  280   2HB   CYS  36           HB1      CYS  36 -11.104  -9.526  -9.526
  281    H    GLY  37           HN       GLY  37  -9.825 -12.448 -12.448
  282   1HA   GLY  37           HA2      GLY  37  -9.224 -14.961 -14.961
  283   2HA   GLY  37           HA1      GLY  37  -9.539 -15.002 -15.002
  284    H    HIS  38           HN       HIS  38  -7.101 -15.910 -15.910
  285    HA   HIS  38           HA       HIS  38  -4.766 -15.669 -15.669
  286   1HB   HIS  38           HB2      HIS  38  -6.073 -15.037 -15.037
  287   2HB   HIS  38           HB1      HIS  38  -5.231 -13.517 -13.517
  288    HD1  HIS  38           HD1      HIS  38  -2.892 -13.433 -13.433
  289    HD2  HIS  38           HD2      HIS  38  -4.111 -17.353 -17.353
  290    HE1  HIS  38           HE1      HIS  38  -0.980 -14.925 -14.925
  291    H    CYS  39           HN       CYS  39  -6.388 -13.648 -13.648
  292    HA   CYS  39           HA       CYS  39  -4.660 -11.253 -11.253
  293   1HB   CYS  39           HB2      CYS  39  -6.930 -12.050 -12.050
  294   2HB   CYS  39           HB1      CYS  39  -6.242 -10.436 -10.436
  295    H    LYS  40           HN       LYS  40  -5.525 -13.812 -13.812
  296    HA   LYS  40           HA       LYS  40  -3.735 -13.042 -13.042
  297   1HB   LYS  40           HB2      LYS  40  -4.151 -15.342 -15.342
  298   2HB   LYS  40           HB1      LYS  40  -5.643 -14.618 -14.618
  299   1HG   LYS  40           HG2      LYS  40  -5.200 -15.727 -15.727
  300   2HG   LYS  40           HG1      LYS  40  -3.846 -16.569 -16.569
  301   1HD   LYS  40           HD2      LYS  40  -5.909 -17.013 -17.013
  302   2HD   LYS  40           HD1      LYS  40  -6.727 -17.086 -17.086
  303   1HE   LYS  40           HE2      LYS  40  -4.691 -18.602 -18.602
  304   2HE   LYS  40           HE1      LYS  40  -4.518 -18.834 -18.834
  305   1HZ   LYS  40           HZ3      LYS  40  -6.990 -19.245 -19.245
  306   2HZ   LYS  40           HZ2      LYS  40  -6.904 -19.361 -19.361
  307   3HZ   LYS  40           HZ1      LYS  40  -6.051 -20.461 -20.461
  308    H    ALA  41           HN       ALA  41  -3.220 -14.777 -14.777
  309    HA   ALA  41           HA       ALA  41  -0.752 -16.088 -16.088
  310   1HB   ALA  41           HB2      ALA  41  -1.920 -14.980 -14.980
  311   2HB   ALA  41           HB1      ALA  41  -0.524 -16.055 -16.055
  312   3HB   ALA  41           HB3      ALA  41  -2.100 -16.622 -16.622
  313    H    LEU  42           HN       LEU  42  -1.531 -12.756 -12.756
  314    HA   LEU  42           HA       LEU  42   1.390 -12.102 -12.102
  315   1HB   LEU  42           HB2      LEU  42  -0.215 -11.623 -11.623
  316   2HB   LEU  42           HB1      LEU  42  -0.967 -10.423 -10.423
  317    HG   LEU  42           HG       LEU  42   1.622  -9.715  -9.715
  318   1HD1  LEU  42          HD11      LEU  42   1.408 -11.285 -11.285
  319   2HD1  LEU  42          HD13      LEU  42   2.324  -9.780  -9.780
  320   3HD1  LEU  42          HD12      LEU  42   2.796 -11.045 -11.045
  321   1HD2  LEU  42          HD21      LEU  42  -0.218  -8.916  -8.916
  322   2HD2  LEU  42          HD23      LEU  42  -0.192  -8.209  -8.209
  323   3HD2  LEU  42          HD22      LEU  42   1.184  -7.988  -7.988
  324    H    ALA  43           HN       ALA  43  -1.362 -11.888 -11.888
  325    HA   ALA  43           HA       ALA  43  -1.233  -9.369  -9.369
  326   1HB   ALA  43           HB1      ALA  43  -2.134 -12.077 -12.077
  327   2HB   ALA  43           HB3      ALA  43  -1.654 -11.185 -11.185
  328   3HB   ALA  43           HB2      ALA  43  -2.896 -10.533 -10.533
  329    HA   PRO  44           HA       PRO  44   2.300 -10.781 -10.781
  330   1HB   PRO  44           HB2      PRO  44   3.339 -13.299 -13.299
  331   2HB   PRO  44           HB1      PRO  44   1.914 -12.934 -12.934
  332   1HG   PRO  44           HG2      PRO  44   2.106 -14.304 -14.304
  333   2HG   PRO  44           HG1      PRO  44   0.850 -14.404 -14.404
  334   1HD   PRO  44           HD1      PRO  44   0.772 -12.926 -12.926
  335   2HD   PRO  44           HD2      PRO  44  -0.436 -12.949 -12.949
  336    H    GLU  45           HN       GLU  45   2.363 -10.496 -10.496
  337    HA   GLU  45           HA       GLU  45   5.343 -10.727 -10.727
  338   1HB   GLU  45           HB2      GLU  45   3.223 -10.879 -10.879
  339   2HB   GLU  45           HB1      GLU  45   4.951 -11.176 -11.176
  340   1HG   GLU  45           HG2      GLU  45   4.728 -13.067 -13.067
  341   2HG   GLU  45           HG1      GLU  45   2.981 -12.837 -12.837
  342    H    TYR  46           HN       TYR  46   2.417  -9.110  -9.110
  343    HA   TYR  46           HA       TYR  46   3.698  -6.707  -6.707
  344   1HB   TYR  46           HB2      TYR  46   1.488  -7.396  -7.396
  345   2HB   TYR  46           HB1      TYR  46   0.893  -7.427  -7.427
  346    HD1  TYR  46           HD1      TYR  46   0.842  -5.247  -5.247
  347    HD2  TYR  46           HD2      TYR  46   1.471  -5.422  -5.422
  348    HE1  TYR  46           HE1      TYR  46   0.217  -2.854  -2.854
  349    HE2  TYR  46           HE2      TYR  46   0.847  -3.020  -3.020
  350    HH   TYR  46           HH       TYR  46   0.921  -0.924  -0.924
  351    H    ALA  47           HN       ALA  47   2.875  -7.951  -7.951
  352    HA   ALA  47           HA       ALA  47   2.920  -5.279  -5.279
  353   1HB   ALA  47           HB1      ALA  47   2.733  -8.121  -8.121
  354   2HB   ALA  47           HB3      ALA  47   2.528  -6.670  -6.670
  355   3HB   ALA  47           HB2      ALA  47   1.376  -7.037  -7.037
  356    H    LYS  48           HN       LYS  48   5.050  -8.008  -8.008
  357    HA   LYS  48           HA       LYS  48   7.057  -7.176  -7.176
  358   1HB   LYS  48           HB2      LYS  48   6.496  -9.374  -9.374
  359   2HB   LYS  48           HB1      LYS  48   8.210  -8.962  -8.962
  360   1HG   LYS  48           HG2      LYS  48   7.636 -10.658 -10.658
  361   2HG   LYS  48           HG1      LYS  48   8.163  -9.153  -9.153
  362   1HD   LYS  48           HD2      LYS  48   6.075  -8.671  -8.671
  363   2HD   LYS  48           HD1      LYS  48   5.250  -9.416  -9.416
  364   1HE   LYS  48           HE2      LYS  48   6.083 -11.673 -11.673
  365   2HE   LYS  48           HE1      LYS  48   6.439 -10.776 -10.776
  366   1HZ   LYS  48           HZ3      LYS  48   4.111  -9.832  -9.832
  367   2HZ   LYS  48           HZ2      LYS  48   3.835 -11.084 -11.084
  368   3HZ   LYS  48           HZ1      LYS  48   4.222 -11.449 -11.449
  369    H    ALA  49           HN       ALA  49   6.347  -6.543  -6.543
  370    HA   ALA  49           HA       ALA  49   8.930  -5.783  -5.783
  371   1HB   ALA  49           HB3      ALA  49   6.067  -5.126  -5.126
  372   2HB   ALA  49           HB2      ALA  49   7.369  -4.293  -4.293
  373   3HB   ALA  49           HB1      ALA  49   7.235  -6.049  -6.049
  374    H    ALA  50           HN       ALA  50   6.655  -4.168  -4.168
  375    HA   ALA  50           HA       ALA  50   7.835  -1.506  -1.506
  376   1HB   ALA  50           HB2      ALA  50   5.447  -1.993  -1.993
  377   2HB   ALA  50           HB1      ALA  50   5.978  -2.664  -2.664
  378   3HB   ALA  50           HB3      ALA  50   6.221  -0.952  -0.952
  379    H    GLY  51           HN       GLY  51   8.478  -4.335  -4.335
  380   1HA   GLY  51           HA2      GLY  51   9.940  -2.833  -2.833
  381   2HA   GLY  51           HA1      GLY  51   9.754  -4.584  -4.584
  382    H    LYS  52           HN       LYS  52  10.596  -4.518  -4.518
  383    HA   LYS  52           HA       LYS  52  13.362  -5.108  -5.108
  384   1HB   LYS  52           HB2      LYS  52  11.656  -4.355  -4.355
  385   2HB   LYS  52           HB1      LYS  52  13.316  -4.934  -4.934
  386   1HG   LYS  52           HG1      LYS  52  11.593  -6.588  -6.588
  387   2HG   LYS  52           HG2      LYS  52  11.118  -6.566  -6.566
  388   1HD   LYS  52           HD2      LYS  52  13.279  -7.327  -7.327
  389   2HD   LYS  52           HD1      LYS  52  13.965  -7.066  -7.066
  390   1HE   LYS  52           HE2      LYS  52  11.649  -8.968  -8.968
  391   2HE   LYS  52           HE1      LYS  52  13.317  -9.504  -9.504
  392   1HZ   LYS  52           HZ3      LYS  52  13.879  -8.495  -8.495
  393   2HZ   LYS  52           HZ2      LYS  52  12.219  -8.267  -8.267
  394   3HZ   LYS  52           HZ1      LYS  52  12.847  -9.836  -9.836
  395    H    LEU  53           HN       LEU  53  11.691  -2.087  -2.087
  396    HA   LEU  53           HA       LEU  53  14.225  -0.688  -0.688
  397   1HB   LEU  53           HB1      LEU  53  12.699   1.175   1.175
  398   2HB   LEU  53           HB2      LEU  53  12.109  -0.299  -0.299
  399    HG   LEU  53           HG       LEU  53  11.000  -0.292  -0.292
  400   1HD1  LEU  53          HD11      LEU  53  11.710   2.246   2.246
  401   2HD1  LEU  53          HD13      LEU  53  10.261   2.312   2.312
  402   3HD1  LEU  53          HD12      LEU  53  10.141   1.829   1.829
  403   1HD2  LEU  53          HD21      LEU  53   9.898   0.338   0.338
  404   2HD2  LEU  53          HD23      LEU  53   9.845  -1.204  -1.204
  405   3HD2  LEU  53          HD22      LEU  53   8.873   0.152   0.152
  406    H    LYS  54           HN       LYS  54  12.209  -1.326  -1.326
  407    HA   LYS  54           HA       LYS  54  12.453   0.951   0.951
  408   1HB   LYS  54           HB2      LYS  54  11.778  -1.786  -1.786
  409   2HB   LYS  54           HB1      LYS  54  12.964  -1.470  -1.470
  410   1HG   LYS  54           HG2      LYS  54  10.534   0.271   0.271
  411   2HG   LYS  54           HG1      LYS  54  10.578  -1.037  -1.037
  412   1HD   LYS  54           HD2      LYS  54  12.600   0.081   0.081
  413   2HD   LYS  54           HD1      LYS  54  12.301   1.453   1.453
  414   1HE   LYS  54           HE2      LYS  54   9.801   0.915   0.915
  415   2HE   LYS  54           HE1      LYS  54  10.965   0.769   0.769
  416   1HZ   LYS  54           HZ2      LYS  54  11.993   2.856   2.856
  417   2HZ   LYS  54           HZ1      LYS  54  10.724   3.027   3.027
  418   3HZ   LYS  54           HZ3      LYS  54  10.399   3.069   3.069
  419    H    ALA  55           HN       ALA  55  14.815  -1.722  -1.722
  420    HA   ALA  55           HA       ALA  55  16.773  -0.747  -0.747
  421   1HB   ALA  55           HB1      ALA  55  16.414  -2.833  -2.833
  422   2HB   ALA  55           HB3      ALA  55  17.886  -2.011  -2.011
  423   3HB   ALA  55           HB2      ALA  55  17.759  -2.649  -2.649
  424    H    GLU  56           HN       GLU  56  15.933   0.288   0.288
  425    HA   GLU  56           HA       GLU  56  18.391   1.958   1.958
  426   1HB   GLU  56           HB1      GLU  56  16.130   1.205   1.205
  427   2HB   GLU  56           HB2      GLU  56  17.406   2.337   2.337
  428   1HG   GLU  56           HG2      GLU  56  18.680   0.064   0.064
  429   2HG   GLU  56           HG1      GLU  56  17.479  -0.538  -0.538
  430    H    GLY  57           HN       GLY  57  14.925   2.186   2.186
  431   1HA   GLY  57           HA1      GLY  57  13.699   4.026   4.026
  432   2HA   GLY  57           HA2      GLY  57  15.191   4.964   4.964
  433    H    SER  58           HN       SER  58  13.990   3.267   3.267
  434    HA   SER  58           HA       SER  58  14.284   5.450   5.450
  435   1HB   SER  58           HB1      SER  58  12.286   3.170   3.170
  436   2HB   SER  58           HB2      SER  58  12.977   4.049   4.049
  437    HG   SER  58           HG       SER  58  14.548   2.689   2.689
  438    H    GLU  59           HN       GLU  59  12.340   6.461   6.461
  439    HA   GLU  59           HA       GLU  59  10.455   7.553   7.553
  440   1HB   GLU  59           HB1      GLU  59  10.160   9.322   9.322
  441   2HB   GLU  59           HB2      GLU  59  11.866   9.075   9.075
  442   1HG   GLU  59           HG2      GLU  59  11.464   9.236   9.236
  443   2HG   GLU  59           HG1      GLU  59  12.125   7.666   7.666
  444    H    ILE  60           HN       ILE  60  10.298   4.892   4.892
  445    HA   ILE  60           HA       ILE  60   7.747   5.374   5.374
  446    HB   ILE  60           HB       ILE  60   8.140   3.125   3.125
  447   1HG1  ILE  60          HG11      ILE  60  10.431   3.015   3.015
  448   2HG1  ILE  60          HG12      ILE  60   8.928   2.102   2.102
  449   1HG2  ILE  60          HG21      ILE  60   9.690   5.268   5.268
  450   2HG2  ILE  60          HG23      ILE  60  10.929   4.150   4.150
  451   3HG2  ILE  60          HG22      ILE  60   9.903   3.708   3.708
  452   1HD1  ILE  60          HD13      ILE  60  10.205   1.806   1.806
  453   2HD1  ILE  60          HD12      ILE  60  11.247   1.271   1.271
  454   3HD1  ILE  60          HD11      ILE  60   9.644   0.563   0.563
  455    H    ARG  61           HN       ARG  61   5.824   4.161   4.161
  456    HA   ARG  61           HA       ARG  61   5.804   2.788   2.788
  457   1HB   ARG  61           HB2      ARG  61   4.596   5.346   5.346
  458   2HB   ARG  61           HB1      ARG  61   3.453   4.241   4.241
  459   1HG   ARG  61           HG2      ARG  61   5.974   4.226   4.226
  460   2HG   ARG  61           HG1      ARG  61   5.350   5.871   5.871
  461   1HD   ARG  61           HD2      ARG  61   3.663   5.439   5.439
  462   2HD   ARG  61           HD1      ARG  61   3.258   3.913   3.913
  463    HE   ARG  61           HE       ARG  61   5.098   2.842   2.842
  464   1HH1  ARG  61          HH11      ARG  61   6.011   5.885   5.885
  465   2HH1  ARG  61          HH12      ARG  61   5.914   5.871   5.871
  466   1HH2  ARG  61          HH21      ARG  61   4.179   2.869   2.869
  467   2HH2  ARG  61          HH22      ARG  61   4.876   4.159   4.159
  468    H    LEU  62           HN       LEU  62   3.831   1.448   1.448
  469    HA   LEU  62           HA       LEU  62   2.550   0.715   0.715
  470   1HB   LEU  62           HB1      LEU  62   3.755  -0.926  -0.926
  471   2HB   LEU  62           HB2      LEU  62   2.553  -1.629  -1.629
  472    HG   LEU  62           HG       LEU  62   4.069  -0.663  -0.663
  473   1HD1  LEU  62          HD11      LEU  62   5.678  -0.269  -0.269
  474   2HD1  LEU  62          HD13      LEU  62   6.535  -1.003  -1.003
  475   3HD1  LEU  62          HD12      LEU  62   5.765   0.571   0.571
  476   1HD2  LEU  62          HD23      LEU  62   3.704  -3.102  -3.102
  477   2HD2  LEU  62          HD22      LEU  62   5.203  -2.751  -2.751
  478   3HD2  LEU  62          HD21      LEU  62   5.217  -2.949  -2.949
  479    H    ALA  63           HN       ALA  63   0.321  -0.076  -0.076
  480    HA   ALA  63           HA       ALA  63  -0.953   0.062   0.062
  481   1HB   ALA  63           HB1      ALA  63  -0.709   2.422   2.422
  482   2HB   ALA  63           HB3      ALA  63  -1.646   2.025   2.025
  483   3HB   ALA  63           HB2      ALA  63  -2.400   1.944   1.944
  484    H    LYS  64           HN       LYS  64  -3.421  -0.234  -0.234
  485    HA   LYS  64           HA       LYS  64  -4.073  -1.804  -1.804
  486   1HB   LYS  64           HB1      LYS  64  -3.901  -2.655  -2.655
  487   2HB   LYS  64           HB2      LYS  64  -5.222  -3.323  -3.323
  488   1HG   LYS  64           HG2      LYS  64  -3.797  -4.473  -4.473
  489   2HG   LYS  64           HG1      LYS  64  -2.483  -3.316  -3.316
  490   1HD   LYS  64           HD2      LYS  64  -1.639  -4.428  -4.428
  491   2HD   LYS  64           HD1      LYS  64  -3.238  -4.707  -4.707
  492   1HE   LYS  64           HE1      LYS  64  -3.564  -6.479  -6.479
  493   2HE   LYS  64           HE2      LYS  64  -1.820  -6.337  -6.337
  494   1HZ   LYS  64           HZ3      LYS  64  -1.566  -6.594  -6.594
  495   2HZ   LYS  64           HZ2      LYS  64  -3.199  -7.061  -7.061
  496   3HZ   LYS  64           HZ1      LYS  64  -2.072  -7.988  -7.988
  497    H    VAL  65           HN       VAL  65  -6.388  -1.929  -1.929
  498    HA   VAL  65           HA       VAL  65  -8.068  -0.135  -0.135
  499    HB   VAL  65           HB       VAL  65  -7.818  -0.211  -0.211
  500   1HG1  VAL  65          HG13      VAL  65  -9.639   1.433   1.433
  501   2HG1  VAL  65          HG12      VAL  65  -9.469   1.638   1.638
  502   3HG1  VAL  65          HG11      VAL  65 -10.154   0.147   0.147
  503   1HG2  VAL  65          HG21      VAL  65  -7.089   1.841   1.841
  504   2HG2  VAL  65          HG23      VAL  65  -5.995   1.009   1.009
  505   3HG2  VAL  65          HG22      VAL  65  -7.143   2.195   2.195
  506    H    ASP  66           HN       ASP  66 -10.275  -0.763  -0.763
  507    HA   ASP  66           HA       ASP  66 -10.819  -3.542  -3.542
  508   1HB   ASP  66           HB2      ASP  66 -12.115  -1.671  -1.671
  509   2HB   ASP  66           HB1      ASP  66 -12.707  -3.296  -3.296
  510    H    ALA  67           HN       ALA  67 -11.431  -3.189  -3.189
  511    HA   ALA  67           HA       ALA  67 -12.981  -1.146  -1.146
  512   1HB   ALA  67           HB3      ALA  67 -11.844  -3.403  -3.403
  513   2HB   ALA  67           HB2      ALA  67 -13.510  -3.977  -3.977
  514   3HB   ALA  67           HB1      ALA  67 -13.104  -2.587  -2.587
  515    H    THR  68           HN       THR  68 -14.022  -3.799  -3.799
  516    HA   THR  68           HA       THR  68 -16.869  -3.505  -3.505
  517    HB   THR  68           HB       THR  68 -15.846  -5.610  -5.610
  518    HG1  THR  68           HG1      THR  68 -17.815  -5.720  -5.720
  519   1HG2  THR  68          HG21      THR  68 -14.877  -3.835  -3.835
  520   2HG2  THR  68          HG23      THR  68 -15.258  -5.508  -5.508
  521   3HG2  THR  68          HG22      THR  68 -14.049  -5.156  -5.156
  522    H    GLU  69           HN       GLU  69 -14.576  -1.887  -1.887
  523    HA   GLU  69           HA       GLU  69 -16.806  -0.640  -0.640
  524   1HB   GLU  69           HB2      GLU  69 -14.703  -1.994  -1.994
  525   2HB   GLU  69           HB1      GLU  69 -13.916  -0.427  -0.427
  526   1HG   GLU  69           HG1      GLU  69 -16.459  -0.964  -0.964
  527   2HG   GLU  69           HG2      GLU  69 -14.870  -0.626  -0.626
  528    H    GLU  70           HN       GLU  70 -13.554   0.200   0.200
  529    HA   GLU  70           HA       GLU  70 -14.423   3.034   3.034
  530   1HB   GLU  70           HB2      GLU  70 -11.781   1.571   1.571
  531   2HB   GLU  70           HB1      GLU  70 -11.958   3.314   3.314
  532   1HG   GLU  70           HG2      GLU  70 -12.203   3.673   3.673
  533   2HG   GLU  70           HG1      GLU  70 -13.175   2.218   2.218
  534    H    SER  71           HN       SER  71 -15.711   1.305   1.305
  535    HA   SER  71           HA       SER  71 -14.421   1.005   1.005
  536   1HB   SER  71           HB2      SER  71 -16.567   0.378   0.378
  537   2HB   SER  71           HB1      SER  71 -16.690   0.157   0.157
  538    HG   SER  71           HG       SER  71 -17.992   1.823   1.823
  539    H    ASP  72           HN       ASP  72 -15.730   3.806   3.806
  540    HA   ASP  72           HA       ASP  72 -16.503   5.531   5.531
  541   1HB   ASP  72           HB1      ASP  72 -15.574   5.644   5.644
  542   2HB   ASP  72           HB2      ASP  72 -14.803   6.951   6.951
  543    H    LEU  73           HN       LEU  73 -13.202   4.585   4.585
  544    HA   LEU  73           HA       LEU  73 -12.013   6.455   6.455
  545   1HB   LEU  73           HB2      LEU  73 -10.834   4.242   4.242
  546   2HB   LEU  73           HB1      LEU  73  -9.918   5.495   5.495
  547    HG   LEU  73           HG       LEU  73 -11.967   6.760   6.760
  548   1HD1  LEU  73          HD12      LEU  73 -11.638   4.456   4.456
  549   2HD1  LEU  73          HD11      LEU  73 -10.122   5.178   5.178
  550   3HD1  LEU  73          HD13      LEU  73 -11.658   5.946   5.946
  551   1HD2  LEU  73          HD22      LEU  73  -8.951   6.648   6.648
  552   2HD2  LEU  73          HD21      LEU  73 -10.000   7.960   7.960
  553   3HD2  LEU  73          HD23      LEU  73  -9.832   7.614   7.614
  554    H    ALA  74           HN       ALA  74 -12.497   2.953   2.953
  555    HA   ALA  74           HA       ALA  74 -11.104   2.194   2.194
  556   1HB   ALA  74           HB2      ALA  74 -13.098   1.003   1.003
  557   2HB   ALA  74           HB1      ALA  74 -12.768   0.159   0.159
  558   3HB   ALA  74           HB3      ALA  74 -11.459   0.469   0.469
  559    H    GLN  75           HN       GLN  75 -14.513   2.978   2.978
  560    HA   GLN  75           HA       GLN  75 -15.561   2.317   2.317
  561   1HB   GLN  75           HB2      GLN  75 -16.816   2.753   2.753
  562   2HB   GLN  75           HB1      GLN  75 -16.459   4.468   4.468
  563   1HG   GLN  75           HG1      GLN  75 -18.004   4.725   4.725
  564   2HG   GLN  75           HG2      GLN  75 -17.600   3.180   3.180
  565   1HE2  GLN  75          HE22      GLN  75 -21.017   3.194   3.194
  566   2HE2  GLN  75          HE21      GLN  75 -20.302   4.401   4.401
  567    H    GLN  76           HN       GLN  76 -13.842   5.108   5.108
  568    HA   GLN  76           HA       GLN  76 -14.468   7.031   7.031
  569   1HB   GLN  76           HB1      GLN  76 -12.793   6.718   6.718
  570   2HB   GLN  76           HB2      GLN  76 -11.722   7.143   7.143
  571   1HG   GLN  76           HG2      GLN  76 -12.405   9.240   9.240
  572   2HG   GLN  76           HG1      GLN  76 -13.474   8.984   8.984
  573   1HE2  GLN  76          HE22      GLN  76 -15.010   8.901   8.901
  574   2HE2  GLN  76          HE21      GLN  76 -13.329   8.869   8.869
  575    H    TYR  77           HN       TYR  77 -11.883   4.589   4.589
  576    HA   TYR  77           HA       TYR  77 -10.916   5.273   5.273
  577   1HB   TYR  77           HB2      TYR  77 -10.201   3.180   3.180
  578   2HB   TYR  77           HB1      TYR  77  -9.323   3.402   3.402
  579    HD1  TYR  77           HD2      TYR  77  -8.629   5.937   5.937
  580    HD2  TYR  77           HD1      TYR  77  -9.438   4.315   4.315
  581    HE1  TYR  77           HE2      TYR  77  -7.314   7.767   7.767
  582    HE2  TYR  77           HE1      TYR  77  -8.124   6.147   6.147
  583    HH   TYR  77           HH       TYR  77  -6.564   7.777   7.777
  584    H    GLY  78           HN       GLY  78 -12.515   2.541   2.541
  585   1HA   GLY  78           HA1      GLY  78 -14.369   1.463   1.463
  586   2HA   GLY  78           HA2      GLY  78 -13.234   1.479   1.479
  587    H    VAL  79           HN       VAL  79 -12.747   0.647   0.647
  588    HA   VAL  79           HA       VAL  79 -11.441  -1.882  -1.882
  589    HB   VAL  79           HB       VAL  79 -11.539  -0.316  -0.316
  590   1HG1  VAL  79          HG13      VAL  79 -10.951  -3.033  -3.033
  591   2HG1  VAL  79          HG12      VAL  79  -9.382  -2.236  -2.236
  592   3HG1  VAL  79          HG11      VAL  79 -10.555  -2.055  -2.055
  593   1HG2  VAL  79          HG23      VAL  79  -9.777  -0.354  -0.354
  594   2HG2  VAL  79          HG22      VAL  79 -10.098   0.951   0.951
  595   3HG2  VAL  79          HG21      VAL  79  -8.953  -0.324  -0.324
  596    H    ARG  80           HN       ARG  80 -12.913  -3.552  -3.552
  597    HA   ARG  80           HA       ARG  80 -14.664  -4.048  -4.048
  598   1HB   ARG  80           HB2      ARG  80 -15.350  -3.490  -3.490
  599   2HB   ARG  80           HB1      ARG  80 -16.227  -4.822  -4.822
  600   1HG   ARG  80           HG2      ARG  80 -15.934  -2.236  -2.236
  601   2HG   ARG  80           HG1      ARG  80 -17.149  -2.361  -2.361
  602   1HD   ARG  80           HD2      ARG  80 -17.835  -4.583  -4.583
  603   2HD   ARG  80           HD1      ARG  80 -16.983  -3.875  -3.875
  604    HE   ARG  80           HE       ARG  80 -18.462  -1.840  -1.840
  605   1HH1  ARG  80          HH21      ARG  80 -19.420  -3.684  -3.684
  606   2HH1  ARG  80          HH22      ARG  80 -21.068  -3.896  -3.896
  607   1HH2  ARG  80          HH11      ARG  80 -20.559  -2.641  -2.641
  608   2HH2  ARG  80          HH12      ARG  80 -21.712  -3.306  -3.306
  609    H    GLY  81           HN       GLY  81 -12.179  -5.332  -5.332
  610   1HA   GLY  81           HA1      GLY  81 -13.144  -8.104  -8.104
  611   2HA   GLY  81           HA2      GLY  81 -11.903  -7.529  -7.529
  612    H    TYR  82           HN       TYR  82 -10.183  -6.177  -6.177
  613    HA   TYR  82           HA       TYR  82  -8.334  -6.382  -6.382
  614   1HB   TYR  82           HB1      TYR  82  -9.791  -7.881  -7.881
  615   2HB   TYR  82           HB2      TYR  82  -8.952  -6.343  -6.343
  616    HD1  TYR  82           HD1      TYR  82 -10.214  -4.437  -4.437
  617    HD2  TYR  82           HD2      TYR  82 -12.048  -7.759  -7.759
  618    HE1  TYR  82           HE1      TYR  82 -12.375  -3.227  -3.227
  619    HE2  TYR  82           HE2      TYR  82 -14.213  -6.549  -6.549
  620    HH   TYR  82           HH       TYR  82 -14.504  -3.296  -3.296
  621    HA   PRO  83           HA       PRO  83  -7.205  -7.174  -7.174
  622   1HB   PRO  83           HB2      PRO  83  -4.556  -7.846  -7.846
  623   2HB   PRO  83           HB1      PRO  83  -5.780  -8.678  -8.678
  624   1HG   PRO  83           HG1      PRO  83  -4.480  -9.514  -9.514
  625   2HG   PRO  83           HG2      PRO  83  -4.970 -10.490 -10.490
  626   1HD   PRO  83           HD2      PRO  83  -6.379 -10.316 -10.316
  627   2HD   PRO  83           HD1      PRO  83  -7.090 -10.765 -10.765
  628    H    THR  84           HN       THR  84  -6.882  -5.136  -5.136
  629    HA   THR  84           HA       THR  84  -5.297  -4.844  -4.844
  630    HB   THR  84           HB       THR  84  -7.015  -2.679  -2.679
  631    HG1  THR  84           HG1      THR  84  -8.339  -4.436  -4.436
  632   1HG2  THR  84          HG22      THR  84  -5.985  -3.591  -3.591
  633   2HG2  THR  84          HG21      THR  84  -7.642  -2.988  -2.988
  634   3HG2  THR  84          HG23      THR  84  -6.337  -1.958  -1.958
  635    H    ILE  85           HN       ILE  85  -3.196  -4.289  -4.289
  636    HA   ILE  85           HA       ILE  85  -2.693  -2.531  -2.531
  637    HB   ILE  85           HB       ILE  85  -0.836  -4.104  -4.104
  638   1HG1  ILE  85          HG12      ILE  85  -0.785  -5.424  -5.424
  639   2HG1  ILE  85          HG11      ILE  85  -2.428  -4.792  -4.792
  640   1HG2  ILE  85          HG21      ILE  85   0.197  -2.184  -2.184
  641   2HG2  ILE  85          HG23      ILE  85  -0.358  -2.902  -2.902
  642   3HG2  ILE  85          HG22      ILE  85   0.825  -3.749  -3.749
  643   1HD1  ILE  85          HD11      ILE  85  -1.706  -5.910  -5.910
  644   2HD1  ILE  85          HD13      ILE  85  -1.707  -7.094  -7.094
  645   3HD1  ILE  85          HD12      ILE  85  -3.162  -6.158  -6.158
  646    H    LYS  86           HN       LYS  86  -1.725  -0.495  -0.495
  647    HA   LYS  86           HA       LYS  86  -0.910   0.383   0.383
  648   1HB   LYS  86           HB2      LYS  86  -3.447   0.839   0.839
  649   2HB   LYS  86           HB1      LYS  86  -2.581   2.355   2.355
  650   1HG   LYS  86           HG1      LYS  86  -3.185   2.792   2.792
  651   2HG   LYS  86           HG2      LYS  86  -1.839   1.728   1.728
  652   1HD   LYS  86           HD2      LYS  86  -4.001   0.014   0.014
  653   2HD   LYS  86           HD1      LYS  86  -4.678   1.316   1.316
  654   1HE   LYS  86           HE1      LYS  86  -2.148   0.594   0.594
  655   2HE   LYS  86           HE2      LYS  86  -3.095  -0.886  -0.886
  656   1HZ   LYS  86           HZ1      LYS  86  -5.008   0.258   0.258
  657   2HZ   LYS  86           HZ3      LYS  86  -4.044   1.621   1.621
  658   3HZ   LYS  86           HZ2      LYS  86  -3.708   0.155   0.155
  659    H    PHE  87           HN       PHE  87   0.607   2.112   2.112
  660    HA   PHE  87           HA       PHE  87   1.645   2.750   2.750
  661   1HB   PHE  87           HB1      PHE  87   3.197   1.618   1.618
  662   2HB   PHE  87           HB2      PHE  87   2.867   2.780   2.780
  663    HD1  PHE  87           HD1      PHE  87   3.579   3.150   3.150
  664    HD2  PHE  87           HD2      PHE  87   4.734   4.141   4.141
  665    HE1  PHE  87           HE1      PHE  87   5.369   4.625   4.625
  666    HE2  PHE  87           HE2      PHE  87   6.524   5.615   5.615
  667    HZ   PHE  87           HZ       PHE  87   6.833   5.870   5.870
  668    H    PHE  88           HN       PHE  88   1.365   4.822   4.822
  669    HA   PHE  88           HA       PHE  88   0.480   6.891   6.891
  670   1HB   PHE  88           HB2      PHE  88   0.187   6.465   6.465
  671   2HB   PHE  88           HB1      PHE  88  -0.216   8.003   8.003
  672    HD1  PHE  88           HD2      PHE  88  -1.465   7.428   7.428
  673    HD2  PHE  88           HD1      PHE  88  -1.728   5.206   5.206
  674    HE1  PHE  88           HE2      PHE  88  -3.646   6.496   6.496
  675    HE2  PHE  88           HE1      PHE  88  -3.909   4.273   4.273
  676    HZ   PHE  88           HZ       PHE  88  -4.869   4.918   4.918
  677    H    ARG  89           HN       ARG  89   1.467   9.011   9.011
  678    HA   ARG  89           HA       ARG  89   4.095   9.106   9.106
  679   1HB   ARG  89           HB1      ARG  89   4.240   8.549   8.549
  680   2HB   ARG  89           HB2      ARG  89   3.483  10.103  10.103
  681   1HG   ARG  89           HG2      ARG  89   5.388  11.100  11.100
  682   2HG   ARG  89           HG1      ARG  89   6.192   9.554   9.554
  683   1HD   ARG  89           HD2      ARG  89   6.633  10.031  10.031
  684   2HD   ARG  89           HD1      ARG  89   5.067  10.832  10.832
  685    HE   ARG  89           HE       ARG  89   6.008  12.811  12.811
  686   1HH1  ARG  89          HH21      ARG  89   8.140  13.124  13.124
  687   2HH1  ARG  89          HH22      ARG  89   9.546  12.910  12.910
  688   1HH2  ARG  89          HH11      ARG  89   7.830  11.317  11.317
  689   2HH2  ARG  89          HH12      ARG  89   9.370  11.886  11.886
  690    H    ASN  90           HN       ASN  90   3.173  10.499  10.499
  691    HA   ASN  90           HA       ASN  90   2.447  12.561  12.561
  692   1HB   ASN  90           HB1      ASN  90   4.717  12.980  12.980
  693   2HB   ASN  90           HB2      ASN  90   3.939  13.522  13.522
  694   1HD2  ASN  90          HD22      ASN  90   4.150  16.023  16.023
  695   2HD2  ASN  90          HD21      ASN  90   4.834  14.469  14.469
  696    H    GLY  91           HN       GLY  91   0.179  11.788  11.788
  697   1HA   GLY  91           HA2      GLY  91  -1.866  12.474  12.474
  698   2HA   GLY  91           HA1      GLY  91  -1.145  14.074  14.074
  699    H    ASP  92           HN       ASP  92  -1.955  11.129  11.129
  700    HA   ASP  92           HA       ASP  92  -0.824  12.239  12.239
  701   1HB   ASP  92           HB1      ASP  92  -0.546   9.725   9.725
  702   2HB   ASP  92           HB2      ASP  92  -1.420   9.446   9.446
  703    H    THR  93           HN       THR  93  -3.260   9.763   9.763
  704    HA   THR  93           HA       THR  93  -5.385   9.345   9.345
  705    HB   THR  93           HB       THR  93  -6.841  11.359  11.359
  706    HG1  THR  93           HG1      THR  93  -5.934  13.278  13.278
  707   1HG2  THR  93          HG23      THR  93  -4.838  10.553  10.553
  708   2HG2  THR  93          HG22      THR  93  -6.074  11.759  11.759
  709   3HG2  THR  93          HG21      THR  93  -6.545  10.126  10.126
  710    H    ALA  94           HN       ALA  94  -3.237  10.041  10.041
  711    HA   ALA  94           HA       ALA  94  -5.058  10.777  10.777
  712   1HB   ALA  94           HB1      ALA  94  -2.530  12.198  12.198
  713   2HB   ALA  94           HB3      ALA  94  -3.192  12.368  12.368
  714   3HB   ALA  94           HB2      ALA  94  -4.136  12.891  12.891
  715    H    SER  95           HN       SER  95  -1.525  10.476  10.476
  716    HA   SER  95           HA       SER  95  -1.640   8.154   8.154
  717   1HB   SER  95           HB1      SER  95   0.696   9.110   9.110
  718   2HB   SER  95           HB2      SER  95  -0.726   9.996   9.996
  719    HG   SER  95           HG       SER  95   0.991  10.563  10.563
  720    HA   PRO  96           HA       PRO  96   0.608   7.151   7.151
  721   1HB   PRO  96           HB1      PRO  96  -1.044   5.130   5.130
  722   2HB   PRO  96           HB2      PRO  96  -1.284   6.827   6.827
  723   1HG   PRO  96           HG2      PRO  96  -2.653   5.209   5.209
  724   2HG   PRO  96           HG1      PRO  96  -3.324   6.417   6.417
  725   1HD   PRO  96           HD2      PRO  96  -2.764   6.933   6.933
  726   2HD   PRO  96           HD1      PRO  96  -2.732   8.171   8.171
  727    H    LYS  97           HN       LYS  97   1.529   4.873   4.873
  728    HA   LYS  97           HA       LYS  97   1.952   3.448   3.448
  729   1HB   LYS  97           HB2      LYS  97   3.526   3.967   3.967
  730   2HB   LYS  97           HB1      LYS  97   3.902   2.523   2.523
  731   1HG   LYS  97           HG2      LYS  97   4.431   3.796   3.796
  732   2HG   LYS  97           HG1      LYS  97   3.687   5.253   5.253
  733   1HD   LYS  97           HD2      LYS  97   5.475   5.701   5.701
  734   2HD   LYS  97           HD1      LYS  97   5.936   4.003   4.003
  735   1HE   LYS  97           HE2      LYS  97   7.303   4.125   4.125
  736   2HE   LYS  97           HE1      LYS  97   6.142   5.109   5.109
  737   1HZ   LYS  97           HZ2      LYS  97   6.700   6.997   6.997
  738   2HZ   LYS  97           HZ1      LYS  97   7.863   6.056   6.056
  739   3HZ   LYS  97           HZ3      LYS  97   8.069   6.433   6.433
  740    H    GLU  98           HN       GLU  98   2.170   1.039   1.039
  741    HA   GLU  98           HA       GLU  98   0.359  -0.066  -0.066
  742   1HB   GLU  98           HB2      GLU  98  -0.285  -1.697  -1.697
  743   2HB   GLU  98           HB1      GLU  98  -0.610  -0.032  -0.032
  744   1HG   GLU  98           HG2      GLU  98   0.794  -0.203  -0.203
  745   2HG   GLU  98           HG1      GLU  98   2.097  -0.777  -0.777
  746    H    TYR  99           HN       TYR  99   0.913  -2.189  -2.189
  747    HA   TYR  99           HA       TYR  99   3.819  -2.776  -2.776
  748   1HB   TYR  99           HB2      TYR  99   2.658  -2.577  -2.577
  749   2HB   TYR  99           HB1      TYR  99   1.521  -3.837  -3.837
  750    HD1  TYR  99           HD2      TYR  99   5.241  -3.316  -3.316
  751    HD2  TYR  99           HD1      TYR  99   1.946  -5.976  -5.976
  752    HE1  TYR  99           HE2      TYR  99   6.814  -5.045  -5.045
  753    HE2  TYR  99           HE1      TYR  99   3.521  -7.708  -7.708
  754    HH   TYR  99           HH       TYR  99   7.039  -7.107  -7.107
  755    H    THR 100           HN       THR 100   4.581  -4.442  -4.442
  756    HA   THR 100           HA       THR 100   2.627  -6.208  -6.208
  757    HB   THR 100           HB       THR 100   4.641  -6.757  -6.757
  758    HG1  THR 100           HG1      THR 100   6.417  -6.533  -6.533
  759   1HG2  THR 100          HG21      THR 100   3.614  -4.019  -4.019
  760   2HG2  THR 100          HG23      THR 100   5.136  -4.118  -4.118
  761   3HG2  THR 100          HG22      THR 100   3.707  -4.958  -4.958
  762    H    ALA 101           HN       ALA 101   5.631  -6.541  -6.541
  763    HA   ALA 101           HA       ALA 101   5.698  -9.370  -9.370
  764   1HB   ALA 101           HB2      ALA 101   6.697  -7.051  -7.051
  765   2HB   ALA 101           HB1      ALA 101   6.819  -8.652  -8.652
  766   3HB   ALA 101           HB3      ALA 101   7.607  -8.323  -8.323
  767    H    GLY 102           HN       GLY 102   5.586 -10.116 -10.116
  768   1HA   GLY 102           HA2      GLY 102   3.700  -9.530  -9.530
  769   2HA   GLY 102           HA1      GLY 102   2.658 -10.072 -10.072
  770    H    ARG 103           HN       ARG 103   5.665 -11.193 -11.193
  771    HA   ARG 103           HA       ARG 103   4.449 -13.934 -13.934
  772   1HB   ARG 103           HB1      ARG 103   6.629 -13.035 -13.035
  773   2HB   ARG 103           HB2      ARG 103   7.374 -13.769 -13.769
  774   1HG   ARG 103           HG2      ARG 103   6.053 -15.828 -15.828
  775   2HG   ARG 103           HG1      ARG 103   5.336 -15.094 -15.094
  776   1HD   ARG 103           HD2      ARG 103   7.856 -14.730 -14.730
  777   2HD   ARG 103           HD1      ARG 103   8.147 -16.065 -16.065
  778    HE   ARG 103           HE       ARG 103   6.684 -17.472 -17.472
  779   1HH1  ARG 103          HH21      ARG 103   5.980 -14.339 -14.339
  780   2HH1  ARG 103          HH22      ARG 103   5.954 -14.666 -14.666
  781   1HH2  ARG 103          HH11      ARG 103   7.180 -17.893 -17.893
  782   2HH2  ARG 103          HH12      ARG 103   6.634 -16.679 -16.679
  783    H    GLU 104           HN       GLU 104   6.898 -11.775 -11.775
  784    HA   GLU 104           HA       GLU 104   6.165 -12.731 -12.731
  785   1HB   GLU 104           HB1      GLU 104   8.780 -13.085 -13.085
  786   2HB   GLU 104           HB2      GLU 104   8.780 -12.899 -12.899
  787   1HG   GLU 104           HG2      GLU 104   7.281 -14.807 -14.807
  788   2HG   GLU 104           HG1      GLU 104   7.128 -14.946 -14.946
  789    H    ALA 105           HN       ALA 105   6.961 -11.238 -11.238
  790    HA   ALA 105           HA       ALA 105   6.641  -8.527  -8.527
  791   1HB   ALA 105           HB2      ALA 105   7.204 -10.118 -10.118
  792   2HB   ALA 105           HB1      ALA 105   8.805  -9.409  -9.409
  793   3HB   ALA 105           HB3      ALA 105   7.415  -8.370  -8.370
  794    H    ASP 106           HN       ASP 106   9.554 -10.385 -10.385
  795    HA   ASP 106           HA       ASP 106  11.301  -8.091  -8.091
  796   1HB   ASP 106           HB2      ASP 106  12.789  -9.784  -9.784
  797   2HB   ASP 106           HB1      ASP 106  12.002 -10.440 -10.440
  798    H    ASP 107           HN       ASP 107   9.014  -9.747  -9.747
  799    HA   ASP 107           HA       ASP 107  10.010  -8.705  -8.705
  800   1HB   ASP 107           HB2      ASP 107   7.549 -10.045 -10.045
  801   2HB   ASP 107           HB1      ASP 107   7.451  -9.263  -9.263
  802    H    ILE 108           HN       ILE 108   7.860  -7.498  -7.498
  803    HA   ILE 108           HA       ILE 108   6.873  -5.272  -5.272
  804    HB   ILE 108           HB       ILE 108   6.576  -6.068  -6.068
  805   1HG1  ILE 108          HG12      ILE 108   4.696  -6.257  -6.257
  806   2HG1  ILE 108          HG11      ILE 108   5.563  -7.611  -7.611
  807   1HG2  ILE 108          HG22      ILE 108   5.869  -3.615  -3.615
  808   2HG2  ILE 108          HG21      ILE 108   4.452  -4.409  -4.409
  809   3HG2  ILE 108          HG23      ILE 108   5.806  -3.968  -3.968
  810   1HD1  ILE 108          HD11      ILE 108   3.754  -5.847  -5.847
  811   2HD1  ILE 108          HD13      ILE 108   3.121  -7.227  -7.227
  812   3HD1  ILE 108          HD12      ILE 108   4.329  -7.474  -7.474
  813    H    VAL 109           HN       VAL 109   8.948  -5.639  -5.639
  814    HA   VAL 109           HA       VAL 109   9.576  -2.912  -2.912
  815    HB   VAL 109           HB       VAL 109  10.106  -4.909  -4.909
  816   1HG1  VAL 109          HG13      VAL 109  11.088  -6.316  -6.316
  817   2HG1  VAL 109          HG12      VAL 109  12.474  -5.227  -5.227
  818   3HG1  VAL 109          HG11      VAL 109  12.139  -6.166  -6.166
  819   1HG2  VAL 109          HG23      VAL 109  12.045  -2.744  -2.744
  820   2HG2  VAL 109          HG22      VAL 109  11.137  -2.995  -2.995
  821   3HG2  VAL 109          HG21      VAL 109  12.555  -3.985  -3.985
  822    H    ASN 110           HN       ASN 110  11.152  -5.319  -5.319
  823    HA   ASN 110           HA       ASN 110  13.291  -3.720  -3.720
  824   1HB   ASN 110           HB1      ASN 110  11.810  -6.166  -6.166
  825   2HB   ASN 110           HB2      ASN 110  12.623  -5.370  -5.370
  826   1HD2  ASN 110          HD22      ASN 110  14.877  -6.976  -6.976
  827   2HD2  ASN 110          HD21      ASN 110  13.231  -6.657  -6.657
  828    H    TRP 111           HN       TRP 111  10.056  -4.261  -4.261
  829    HA   TRP 111           HA       TRP 111  10.353  -2.458  -2.458
  830   1HB   TRP 111           HB1      TRP 111   8.564  -4.295  -4.295
  831   2HB   TRP 111           HB2      TRP 111   7.726  -2.885  -2.885
  832    HD1  TRP 111           HD1      TRP 111   8.796  -4.509  -4.509
  833    HE1  TRP 111           HE1      TRP 111   7.665  -3.282  -3.282
  834    HE3  TRP 111           HE3      TRP 111   6.760  -0.541  -0.541
  835    HZ2  TRP 111           HZ2      TRP 111   6.102  -0.929  -0.929
  836    HZ3  TRP 111           HZ3      TRP 111   5.456   1.175   1.175
  837    HH2  TRP 111           HH2      TRP 111   5.126   0.987   0.987
  838    H    LEU 112           HN       LEU 112   9.793  -1.917  -1.917
  839    HA   LEU 112           HA       LEU 112   8.724   0.806   0.806
  840   1HB   LEU 112           HB1      LEU 112   8.869  -1.229  -1.229
  841   2HB   LEU 112           HB2      LEU 112   9.565   0.256   0.256
  842    HG   LEU 112           HG       LEU 112   7.129   0.172   0.172
  843   1HD1  LEU 112          HD21      LEU 112   8.540   2.243   2.243
  844   2HD1  LEU 112          HD23      LEU 112   6.813   2.274   2.274
  845   3HD1  LEU 112          HD22      LEU 112   7.374   2.409   2.409
  846   1HD2  LEU 112          HD13      LEU 112   7.080  -0.947  -0.947
  847   2HD2  LEU 112          HD12      LEU 112   5.682  -0.536  -0.536
  848   3HD2  LEU 112          HD11      LEU 112   6.305   0.628   0.628
  849    H    LYS 113           HN       LYS 113  11.686  -0.671  -0.671
  850    HA   LYS 113           HA       LYS 113  13.002   1.934   1.934
  851   1HB   LYS 113           HB2      LYS 113  14.819   0.575   0.575
  852   2HB   LYS 113           HB1      LYS 113  13.292  -0.026  -0.026
  853   1HG   LYS 113           HG2      LYS 113  13.331  -1.653  -1.653
  854   2HG   LYS 113           HG1      LYS 113  15.041  -1.239  -1.239
  855   1HD   LYS 113           HD2      LYS 113  13.756  -2.169  -2.169
  856   2HD   LYS 113           HD1      LYS 113  14.477  -3.289  -3.289
  857   1HE   LYS 113           HE2      LYS 113  16.616  -1.942  -1.942
  858   2HE   LYS 113           HE1      LYS 113  15.875  -1.043  -1.043
  859   1HZ   LYS 113           HZ2      LYS 113  15.440  -3.140  -3.140
  860   2HZ   LYS 113           HZ1      LYS 113  16.174  -3.997  -3.997
  861   3HZ   LYS 113           HZ3      LYS 113  17.102  -2.963  -2.963
  862    H    LYS 114           HN       LYS 114  12.451  -0.070  -0.070
  863    HA   LYS 114           HA       LYS 114  14.939  -0.159  -0.159
  864   1HB   LYS 114           HB2      LYS 114  12.914  -1.348  -1.348
  865   2HB   LYS 114           HB1      LYS 114  12.101   0.183   0.183
  866   1HG   LYS 114           HG2      LYS 114  14.705  -0.131  -0.131
  867   2HG   LYS 114           HG1      LYS 114  13.463  -1.267  -1.267
  868   1HD   LYS 114           HD2      LYS 114  13.000   1.719   1.719
  869   2HD   LYS 114           HD1      LYS 114  13.502   0.919   0.919
  870   1HE   LYS 114           HE2      LYS 114  11.165  -0.289  -0.289
  871   2HE   LYS 114           HE1      LYS 114  10.897   1.288   1.288
  872   1HZ   LYS 114           HZ1      LYS 114  12.291  -0.965  -0.965
  873   2HZ   LYS 114           HZ3      LYS 114  10.632  -0.668  -0.668
  874   3HZ   LYS 114           HZ2      LYS 114  11.762   0.486   0.486
  875    H    ARG 115           HN       ARG 115  12.769   2.529   2.529
  876    HA   ARG 115           HA       ARG 115  13.860   4.235   4.235
  877   1HB   ARG 115           HB2      ARG 115  11.730   4.201   4.201
  878   2HB   ARG 115           HB1      ARG 115  12.594   5.734   5.734
  879   1HG   ARG 115           HG2      ARG 115  11.575   4.539   4.539
  880   2HG   ARG 115           HG1      ARG 115  10.728   5.781   5.781
  881   1HD   ARG 115           HD2      ARG 115  12.201   7.434   7.434
  882   2HD   ARG 115           HD1      ARG 115  13.590   6.329   6.329
  883    HE   ARG 115           HE       ARG 115  12.141   5.344   5.344
  884   1HH1  ARG 115          HH21      ARG 115  14.364   7.701   7.701
  885   2HH1  ARG 115          HH22      ARG 115  13.777   8.684   8.684
  886   1HH2  ARG 115          HH11      ARG 115  10.774   6.974   6.974
  887   2HH2  ARG 115          HH12      ARG 115  11.743   8.273   8.273
  888    H    THR 116           HN       THR 116  14.572   3.586   3.586
  889    HA   THR 116           HA       THR 116  16.299   5.941   5.941
  890    HB   THR 116           HB       THR 116  16.749   4.813   4.813
  891    HG1  THR 116           HG1      THR 116  15.285   2.938   2.938
  892   1HG2  THR 116          HG23      THR 116  14.291   5.850   5.850
  893   2HG2  THR 116          HG22      THR 116  13.907   4.525   4.525
  894   3HG2  THR 116          HG21      THR 116  14.885   5.881   5.881
  895    H    GLY 117           HN       GLY 117  16.705   2.466   2.466
  896   1HA   GLY 117           HA1      GLY 117  19.397   2.971   2.971
  897   2HA   GLY 117           HA2      GLY 117  19.364   1.986   1.986
  898    HA   PRO 118           HA       PRO 118  18.415  -0.543  -0.543
  899   1HB   PRO 118           HB2      PRO 118  20.808  -1.847  -1.847
  900   2HB   PRO 118           HB1      PRO 118  20.448  -0.315  -0.315
  901   1HG   PRO 118           HG2      PRO 118  22.033  -0.828  -0.828
  902   2HG   PRO 118           HG1      PRO 118  22.326   0.330   0.330
  903   1HD   PRO 118           HD2      PRO 118  21.258   1.015   1.015
  904   2HD   PRO 118           HD1      PRO 118  20.944   1.907   1.907
  905    H    ALA 119           HN       ALA 119  20.081  -1.151  -1.151
  906    HA   ALA 119           HA       ALA 119  18.349  -3.366  -3.366
  907   1HB   ALA 119           HB1      ALA 119  20.563  -3.888  -3.888
  908   2HB   ALA 119           HB3      ALA 119  20.974  -4.554  -4.554
  909   3HB   ALA 119           HB2      ALA 119  19.499  -5.069  -5.069
  910    H    ALA 120           HN       ALA 120  19.653  -4.661  -4.661
  911    HA   ALA 120           HA       ALA 120  20.196  -2.618  -2.618
  912   1HB   ALA 120           HB3      ALA 120  19.571  -5.437  -5.437
  913   2HB   ALA 120           HB2      ALA 120  20.900  -5.196  -5.196
  914   3HB   ALA 120           HB1      ALA 120  19.365  -4.363  -4.363

  Start of MODEL   28
    1   1H    ASP   1           HT3      ASP   1 -10.092   9.719   9.719
    2   2H    ASP   1           HT2      ASP   1 -10.376  10.261  10.261
    3   3H    ASP   1           HT1      ASP   1 -10.531  11.333  11.333
    4    HA   ASP   1           HA       ASP   1  -8.217  11.401  11.401
    5   1HB   ASP   1           HB1      ASP   1  -7.472  12.039  12.039
    6   2HB   ASP   1           HB2      ASP   1  -8.997  11.378  11.378
    7    H    ALA   2           HN       ALA   2  -6.019  10.660  10.660
    8    HA   ALA   2           HA       ALA   2  -4.493   8.896   8.896
    9   1HB   ALA   2           HB2      ALA   2  -6.404   8.921   8.921
   10   2HB   ALA   2           HB1      ALA   2  -6.464   7.249   7.249
   11   3HB   ALA   2           HB3      ALA   2  -4.944   7.932   7.932
   12    HA   PRO   3           HA       PRO   3  -6.135   6.332   6.332
   13   1HB   PRO   3           HB1      PRO   3  -3.686   5.697   5.697
   14   2HB   PRO   3           HB2      PRO   3  -4.529   7.214   7.214
   15   1HG   PRO   3           HG2      PRO   3  -2.301   6.685   6.685
   16   2HG   PRO   3           HG1      PRO   3  -2.569   8.078   8.078
   17   1HD   PRO   3           HD1      PRO   3  -3.104   8.096   8.096
   18   2HD   PRO   3           HD2      PRO   3  -3.957   9.114   9.114
   19    H    GLU   4           HN       GLU   4  -6.175   4.022   4.022
   20    HA   GLU   4           HA       GLU   4  -5.049   2.574   2.574
   21   1HB   GLU   4           HB2      GLU   4  -7.488   2.578   2.578
   22   2HB   GLU   4           HB1      GLU   4  -6.778   1.335   1.335
   23   1HG   GLU   4           HG2      GLU   4  -7.794   0.994   0.994
   24   2HG   GLU   4           HG1      GLU   4  -6.878  -0.183  -0.183
   25    H    GLU   5           HN       GLU   5  -3.743   0.679   0.679
   26    HA   GLU   5           HA       GLU   5  -2.560   0.327   0.327
   27   1HB   GLU   5           HB2      GLU   5  -1.294   0.451   0.451
   28   2HB   GLU   5           HB1      GLU   5  -0.435  -0.166  -0.166
   29   1HG   GLU   5           HG2      GLU   5  -1.559   2.246   2.246
   30   2HG   GLU   5           HG1      GLU   5  -0.979   2.590   2.590
   31    H    GLU   6           HN       GLU   6  -1.635  -1.891  -1.891
   32    HA   GLU   6           HA       GLU   6  -3.175  -3.925  -3.925
   33   1HB   GLU   6           HB2      GLU   6  -2.208  -3.650  -3.650
   34   2HB   GLU   6           HB1      GLU   6  -2.524  -5.255  -5.255
   35   1HG   GLU   6           HG2      GLU   6  -4.741  -3.811  -3.811
   36   2HG   GLU   6           HG1      GLU   6  -4.415  -3.160  -3.160
   37    H    ASP   7           HN       ASP   7  -0.306  -4.295  -4.295
   38    HA   ASP   7           HA       ASP   7   1.126  -5.503  -5.503
   39   1HB   ASP   7           HB2      ASP   7   0.559  -6.346  -6.346
   40   2HB   ASP   7           HB1      ASP   7   2.279  -6.438  -6.438
   41    H    HIS   8           HN       HIS   8   2.156  -4.422  -4.422
   42    HA   HIS   8           HA       HIS   8   3.969  -2.420  -2.420
   43   1HB   HIS   8           HB1      HIS   8   4.598  -4.919  -4.919
   44   2HB   HIS   8           HB2      HIS   8   5.439  -3.520  -3.520
   45    HD1  HIS   8           HD1      HIS   8   5.953  -6.015  -6.015
   46    HD2  HIS   8           HD2      HIS   8   6.520  -1.884  -1.884
   47    HE1  HIS   8           HE1      HIS   8   7.582  -5.511  -5.511
   48    H    VAL   9           HN       VAL   9   1.433  -2.211  -2.211
   49    HA   VAL   9           HA       VAL   9   2.470  -0.430  -0.430
   50    HB   VAL   9           HB       VAL   9   0.479  -2.706  -2.706
   51   1HG1  VAL   9          HG13      VAL   9   1.162  -0.476  -0.476
   52   2HG1  VAL   9          HG12      VAL   9   0.349  -1.963  -1.963
   53   3HG1  VAL   9          HG11      VAL   9  -0.425  -0.865  -0.865
   54   1HG2  VAL   9          HG23      VAL   9   3.281  -2.170  -2.170
   55   2HG2  VAL   9          HG22      VAL   9   2.539  -3.682  -3.682
   56   3HG2  VAL   9          HG21      VAL   9   2.237  -3.066  -3.066
   57    H    LEU  10           HN       LEU  10   0.596   0.978   0.978
   58    HA   LEU  10           HA       LEU  10  -1.165   1.697   1.697
   59   1HB   LEU  10           HB1      LEU  10   0.615   3.140   3.140
   60   2HB   LEU  10           HB2      LEU  10  -0.949   3.552   3.552
   61    HG   LEU  10           HG       LEU  10  -0.389   5.113   5.113
   62   1HD1  LEU  10          HD23      LEU  10  -2.773   3.839   3.839
   63   2HD1  LEU  10          HD22      LEU  10  -2.477   3.492   3.492
   64   3HD1  LEU  10          HD21      LEU  10  -2.536   5.162   5.162
   65   1HD2  LEU  10          HD13      LEU  10   0.459   2.661   2.661
   66   2HD2  LEU  10          HD12      LEU  10   0.755   4.326   4.326
   67   3HD2  LEU  10          HD11      LEU  10  -0.710   3.494   3.494
   68    H    VAL  11           HN       VAL  11  -3.402   1.942   1.942
   69    HA   VAL  11           HA       VAL  11  -4.477   0.763   0.763
   70    HB   VAL  11           HB       VAL  11  -6.520   0.486   0.486
   71   1HG1  VAL  11          HG13      VAL  11  -4.149  -0.918  -0.918
   72   2HG1  VAL  11          HG12      VAL  11  -4.469  -0.576  -0.576
   73   3HG1  VAL  11          HG11      VAL  11  -5.666  -1.437  -1.437
   74   1HG2  VAL  11          HG23      VAL  11  -5.222   2.475   2.475
   75   2HG2  VAL  11          HG22      VAL  11  -6.784   1.716   1.716
   76   3HG2  VAL  11          HG21      VAL  11  -5.316   1.021   1.021
   77    H    LEU  12           HN       LEU  12  -5.968   1.954   1.954
   78    HA   LEU  12           HA       LEU  12  -6.221   4.855   4.855
   79   1HB   LEU  12           HB2      LEU  12  -6.222   3.438   3.438
   80   2HB   LEU  12           HB1      LEU  12  -6.326   5.183   5.183
   81    HG   LEU  12           HG       LEU  12  -4.025   3.415   3.415
   82   1HD1  LEU  12          HD23      LEU  12  -4.378   3.971   3.971
   83   2HD1  LEU  12          HD22      LEU  12  -3.934   5.616   5.616
   84   3HD1  LEU  12          HD21      LEU  12  -2.795   4.294   4.294
   85   1HD2  LEU  12          HD13      LEU  12  -4.699   6.321   6.321
   86   2HD2  LEU  12          HD12      LEU  12  -4.045   5.173   5.173
   87   3HD2  LEU  12          HD11      LEU  12  -3.011   5.822   5.822
   88    H    ARG  13           HN       ARG  13  -8.238   5.841   5.841
   89    HA   ARG  13           HA       ARG  13 -10.508   4.010   4.010
   90   1HB   ARG  13           HB1      ARG  13 -11.728   4.813   4.813
   91   2HB   ARG  13           HB2      ARG  13 -10.151   4.230   4.230
   92   1HG   ARG  13           HG2      ARG  13  -9.368   6.677   6.677
   93   2HG   ARG  13           HG1      ARG  13 -11.084   7.081   7.081
   94   1HD   ARG  13           HD2      ARG  13 -11.335   5.761   5.761
   95   2HD   ARG  13           HD1      ARG  13  -9.564   5.759   5.759
   96    HE   ARG  13           HE       ARG  13  -9.963   8.373   8.373
   97   1HH1  ARG  13          HH21      ARG  13 -10.424   6.480   6.480
   98   2HH1  ARG  13          HH22      ARG  13 -11.542   7.527   7.527
   99   1HH2  ARG  13          HH11      ARG  13 -12.000   9.601   9.601
  100   2HH2  ARG  13          HH12      ARG  13 -12.433   9.292   9.292
  101    H    LYS  14           HN       LYS  14 -12.413   6.175   6.175
  102    HA   LYS  14           HA       LYS  14 -12.738   7.416   7.416
  103   1HB   LYS  14           HB2      LYS  14 -13.927   7.383   7.383
  104   2HB   LYS  14           HB1      LYS  14 -14.009   8.997   8.997
  105   1HG   LYS  14           HG2      LYS  14 -14.711   7.489   7.489
  106   2HG   LYS  14           HG1      LYS  14 -15.349   6.492   6.492
  107   1HD   LYS  14           HD2      LYS  14 -16.018   9.156   9.156
  108   2HD   LYS  14           HD1      LYS  14 -16.385   8.976   8.976
  109   1HE   LYS  14           HE2      LYS  14 -18.373   8.229   8.229
  110   2HE   LYS  14           HE1      LYS  14 -17.502   6.712   6.712
  111   1HZ   LYS  14           HZ1      LYS  14 -16.436   7.082   7.082
  112   2HZ   LYS  14           HZ3      LYS  14 -17.597   8.288   8.288
  113   3HZ   LYS  14           HZ2      LYS  14 -18.085   6.679   6.679
  114    H    SER  15           HN       SER  15 -10.602   8.360   8.360
  115    HA   SER  15           HA       SER  15 -10.085  10.918  10.918
  116   1HB   SER  15           HB2      SER  15 -11.393  10.607  10.607
  117   2HB   SER  15           HB1      SER  15  -9.779  11.202  11.202
  118    HG   SER  15           HG       SER  15 -10.174  12.791  12.791
  119    H    ASN  16           HN       ASN  16  -8.823   8.437   8.437
  120    HA   ASN  16           HA       ASN  16  -6.240   9.529   9.529
  121   1HB   ASN  16           HB2      ASN  16  -7.145   6.652   6.652
  122   2HB   ASN  16           HB1      ASN  16  -5.637   7.159   7.159
  123   1HD2  ASN  16          HD22      ASN  16  -7.927   6.790   6.790
  124   2HD2  ASN  16          HD21      ASN  16  -7.033   5.810   5.810
  125    H    PHE  17           HN       PHE  17  -7.562   7.830   7.830
  126    HA   PHE  17           HA       PHE  17  -5.151   7.129   7.129
  127   1HB   PHE  17           HB2      PHE  17  -7.519   6.493   6.493
  128   2HB   PHE  17           HB1      PHE  17  -7.749   8.122   8.122
  129    HD1  PHE  17           HD2      PHE  17  -5.953   8.936   8.936
  130    HD2  PHE  17           HD1      PHE  17  -6.711   4.818   4.818
  131    HE1  PHE  17           HE2      PHE  17  -4.927   8.244   8.244
  132    HE2  PHE  17           HE1      PHE  17  -5.688   4.128   4.128
  133    HZ   PHE  17           HZ       PHE  17  -4.764   5.842   5.842
  134    H    ALA  18           HN       ALA  18  -7.195   9.962   9.962
  135    HA   ALA  18           HA       ALA  18  -5.290  11.342  11.342
  136   1HB   ALA  18           HB3      ALA  18  -7.526  12.305  12.305
  137   2HB   ALA  18           HB2      ALA  18  -6.718  13.330  13.330
  138   3HB   ALA  18           HB1      ALA  18  -7.646  11.927  11.927
  139    H    GLU  19           HN       GLU  19  -5.749  11.290  11.290
  140    HA   GLU  19           HA       GLU  19  -3.909  13.438  13.438
  141   1HB   GLU  19           HB2      GLU  19  -5.775  12.455  12.455
  142   2HB   GLU  19           HB1      GLU  19  -4.744  11.054  11.054
  143   1HG   GLU  19           HG2      GLU  19  -3.125  12.325  12.325
  144   2HG   GLU  19           HG1      GLU  19  -3.775  13.853  13.853
  145    H    ALA  20           HN       ALA  20  -3.628   9.886   9.886
  146    HA   ALA  20           HA       ALA  20  -0.992   9.614   9.614
  147   1HB   ALA  20           HB2      ALA  20  -2.700   7.830   7.830
  148   2HB   ALA  20           HB1      ALA  20  -2.415   8.011   8.011
  149   3HB   ALA  20           HB3      ALA  20  -1.123   7.430   7.430
  150    H    LEU  21           HN       LEU  21  -2.122  10.130  10.130
  151    HA   LEU  21           HA       LEU  21   0.447   9.969   9.969
  152   1HB   LEU  21           HB1      LEU  21  -2.001  11.574  11.574
  153   2HB   LEU  21           HB2      LEU  21  -0.707  11.049  11.049
  154    HG   LEU  21           HG       LEU  21  -2.608   9.234   9.234
  155   1HD1  LEU  21          HD13      LEU  21  -2.585  10.432  10.432
  156   2HD1  LEU  21          HD12      LEU  21  -2.770   8.678   8.678
  157   3HD1  LEU  21          HD11      LEU  21  -3.913   9.679   9.679
  158   1HD2  LEU  21          HD21      LEU  21  -0.129   8.739   8.739
  159   2HD2  LEU  21          HD23      LEU  21  -0.641   7.995   7.995
  160   3HD2  LEU  21          HD22      LEU  21  -1.429   7.546   7.546
  161    H    ALA  22           HN       ALA  22  -1.457  12.818  12.818
  162    HA   ALA  22           HA       ALA  22   0.448  14.808  14.808
  163   1HB   ALA  22           HB1      ALA  22  -2.019  14.956  14.956
  164   2HB   ALA  22           HB3      ALA  22  -1.424  14.879  14.879
  165   3HB   ALA  22           HB2      ALA  22  -0.947  16.216  16.216
  166    H    ALA  23           HN       ALA  23  -0.110  13.245  13.245
  167    HA   ALA  23           HA       ALA  23   1.898  14.514  14.514
  168   1HB   ALA  23           HB3      ALA  23   0.416  11.955  11.955
  169   2HB   ALA  23           HB2      ALA  23   1.913  11.949  11.949
  170   3HB   ALA  23           HB1      ALA  23   0.651  13.126  13.126
  171    H    HIS  24           HN       HIS  24   2.493  11.132  11.132
  172    HA   HIS  24           HA       HIS  24   5.359  11.629  11.629
  173   1HB   HIS  24           HB1      HIS  24   3.584   9.225   9.225
  174   2HB   HIS  24           HB2      HIS  24   5.345   9.176   9.176
  175    HD1  HIS  24           HD1      HIS  24   2.299   9.619   9.619
  176    HD2  HIS  24           HD2      HIS  24   6.435   9.397   9.397
  177    HE1  HIS  24           HE1      HIS  24   2.730   9.386   9.386
  178    H    LYS  25           HN       LYS  25   6.402  10.430  10.430
  179    HA   LYS  25           HA       LYS  25   5.296  11.827  11.827
  180   1HB   LYS  25           HB2      LYS  25   7.902  10.469  10.469
  181   2HB   LYS  25           HB1      LYS  25   7.567  11.042  11.042
  182   1HG   LYS  25           HG1      LYS  25   7.442  13.299  13.299
  183   2HG   LYS  25           HG2      LYS  25   7.226  12.858  12.858
  184   1HD   LYS  25           HD2      LYS  25   9.748  12.243  12.243
  185   2HD   LYS  25           HD1      LYS  25   9.543  13.707  13.707
  186   1HE   LYS  25           HE2      LYS  25   9.013  12.230  12.230
  187   2HE   LYS  25           HE1      LYS  25   9.503  10.841  10.841
  188   1HZ   LYS  25           HZ3      LYS  25  11.169  13.259  13.259
  189   2HZ   LYS  25           HZ2      LYS  25  11.365  11.790  11.790
  190   3HZ   LYS  25           HZ1      LYS  25  11.628  11.862  11.862
  191    H    TYR  26           HN       TYR  26   6.929   8.656   8.656
  192    HA   TYR  26           HA       TYR  26   5.241   7.539   7.539
  193   1HB   TYR  26           HB2      TYR  26   7.356   6.277   6.277
  194   2HB   TYR  26           HB1      TYR  26   6.750   5.626   5.626
  195    HD1  TYR  26           HD2      TYR  26   6.728   7.617   7.617
  196    HD2  TYR  26           HD1      TYR  26   9.463   7.246   7.246
  197    HE1  TYR  26           HE2      TYR  26   8.406   8.955   8.955
  198    HE2  TYR  26           HE1      TYR  26  11.143   8.581   8.581
  199    HH   TYR  26           HH       TYR  26  11.532   9.012   9.012
  200    H    LEU  27           HN       LEU  27   3.223   6.796   6.796
  201    HA   LEU  27           HA       LEU  27   2.883   5.445   5.445
  202   1HB   LEU  27           HB1      LEU  27   1.189   7.320   7.320
  203   2HB   LEU  27           HB2      LEU  27   0.424   6.226   6.226
  204    HG   LEU  27           HG       LEU  27   0.867   8.383   8.383
  205   1HD1  LEU  27          HD12      LEU  27   1.502   5.928   5.928
  206   2HD1  LEU  27          HD11      LEU  27   3.013   6.805   6.805
  207   3HD1  LEU  27          HD13      LEU  27   1.514   7.426   7.426
  208   1HD2  LEU  27          HD22      LEU  27   3.026   8.560   8.560
  209   2HD2  LEU  27          HD21      LEU  27   2.867   9.499   9.499
  210   3HD2  LEU  27          HD23      LEU  27   3.815   8.012   8.012
  211    H    LEU  28           HN       LEU  28   2.713   3.257   3.257
  212    HA   LEU  28           HA       LEU  28   1.606   2.280   2.280
  213   1HB   LEU  28           HB2      LEU  28   3.560   1.467   1.467
  214   2HB   LEU  28           HB1      LEU  28   2.240   0.336   0.336
  215    HG   LEU  28           HG       LEU  28   3.812  -0.464  -0.464
  216   1HD1  LEU  28          HD23      LEU  28   1.040  -0.464  -0.464
  217   2HD1  LEU  28          HD22      LEU  28   1.446   0.065   0.065
  218   3HD1  LEU  28          HD21      LEU  28   2.067  -1.467  -1.467
  219   1HD2  LEU  28          HD13      LEU  28   4.107   2.043   2.043
  220   2HD2  LEU  28          HD12      LEU  28   4.232   0.729   0.729
  221   3HD2  LEU  28          HD11      LEU  28   2.737   1.659   1.659
  222    H    VAL  29           HN       VAL  29  -0.419   1.269   1.269
  223    HA   VAL  29           HA       VAL  29  -1.996   0.948   0.948
  224    HB   VAL  29           HB       VAL  29  -2.905   2.244   2.244
  225   1HG1  VAL  29          HG22      VAL  29  -4.233   1.645   1.645
  226   2HG1  VAL  29          HG21      VAL  29  -4.801   2.967   2.967
  227   3HG1  VAL  29          HG23      VAL  29  -4.823   1.312   1.312
  228   1HG2  VAL  29          HG13      VAL  29  -1.563   3.282   3.282
  229   2HG2  VAL  29          HG12      VAL  29  -1.787   4.038   4.038
  230   3HG2  VAL  29          HG11      VAL  29  -3.070   4.119   4.119
  231    H    GLU  30           HN       GLU  30  -2.976  -1.032  -1.032
  232    HA   GLU  30           HA       GLU  30  -3.269  -2.548  -2.548
  233   1HB   GLU  30           HB1      GLU  30  -1.662  -3.508  -3.508
  234   2HB   GLU  30           HB2      GLU  30  -2.829  -3.415  -3.415
  235   1HG   GLU  30           HG2      GLU  30  -4.185  -5.119  -5.119
  236   2HG   GLU  30           HG1      GLU  30  -3.425  -4.977  -4.977
  237    H    PHE  31           HN       PHE  31  -5.358  -2.997  -2.997
  238    HA   PHE  31           HA       PHE  31  -7.528  -2.471  -2.471
  239   1HB   PHE  31           HB1      PHE  31  -7.255  -2.560  -2.560
  240   2HB   PHE  31           HB2      PHE  31  -8.847  -2.612  -2.612
  241    HD1  PHE  31           HD1      PHE  31  -9.560  -0.733  -0.733
  242    HD2  PHE  31           HD2      PHE  31  -5.991  -0.541  -0.541
  243    HE1  PHE  31           HE1      PHE  31  -9.488   1.728   1.728
  244    HE2  PHE  31           HE2      PHE  31  -5.918   1.918   1.918
  245    HZ   PHE  31           HZ       PHE  31  -7.667   3.052   3.052
  246    H    TYR  32           HN       TYR  32  -8.088  -4.350  -4.350
  247    HA   TYR  32           HA       TYR  32  -8.689  -6.746  -6.746
  248   1HB   TYR  32           HB2      TYR  32  -7.464  -8.160  -8.160
  249   2HB   TYR  32           HB1      TYR  32  -6.395  -6.852  -6.852
  250    HD1  TYR  32           HD2      TYR  32  -5.847  -5.008  -5.008
  251    HD2  TYR  32           HD1      TYR  32  -8.335  -8.290  -8.290
  252    HE1  TYR  32           HE2      TYR  32  -5.558  -4.351  -4.351
  253    HE2  TYR  32           HE1      TYR  32  -8.045  -7.632  -7.632
  254    HH   TYR  32           HH       TYR  32  -5.681  -5.489  -5.489
  255    H    ALA  33           HN       ALA  33  -9.920  -8.414  -8.414
  256    HA   ALA  33           HA       ALA  33 -11.762  -6.911  -6.911
  257   1HB   ALA  33           HB2      ALA  33 -12.214  -8.277  -8.277
  258   2HB   ALA  33           HB1      ALA  33 -13.020  -9.187  -9.187
  259   3HB   ALA  33           HB3      ALA  33 -13.402  -7.483  -7.483
  260    HA   PRO  34           HA       PRO  34 -10.941 -10.031 -10.031
  261   1HB   PRO  34           HB1      PRO  34 -13.392 -10.371 -10.371
  262   2HB   PRO  34           HB2      PRO  34 -12.371  -8.947  -8.947
  263   1HG   PRO  34           HG2      PRO  34 -14.719  -9.283  -9.283
  264   2HG   PRO  34           HG1      PRO  34 -14.280  -7.910  -7.910
  265   1HD   PRO  34           HD1      PRO  34 -13.833  -7.937  -7.937
  266   2HD   PRO  34           HD2      PRO  34 -12.796  -7.060  -7.060
  267    H    TRP  35           HN       TRP  35 -13.225 -10.571 -10.571
  268    HA   TRP  35           HA       TRP  35 -13.363 -13.490 -13.490
  269   1HB   TRP  35           HB1      TRP  35 -15.313 -13.443 -13.443
  270   2HB   TRP  35           HB2      TRP  35 -15.482 -12.229 -12.229
  271    HD1  TRP  35           HD1      TRP  35 -15.338  -9.690  -9.690
  272    HE1  TRP  35           HE1      TRP  35 -15.440  -8.483  -8.483
  273    HE3  TRP  35           HE3      TRP  35 -14.658 -13.662 -13.662
  274    HZ2  TRP  35           HZ2      TRP  35 -15.260  -9.119  -9.119
  275    HZ3  TRP  35           HZ3      TRP  35 -14.630 -13.334 -13.334
  276    HH2  TRP  35           HH2      TRP  35 -14.930 -11.069 -11.069
  277    H    CYS  36           HN       CYS  36 -11.685 -11.295 -11.295
  278    HA   CYS  36           HA       CYS  36 -11.542 -12.546 -12.546
  279   1HB   CYS  36           HB2      CYS  36 -10.606 -10.337 -10.337
  280   2HB   CYS  36           HB1      CYS  36  -9.360 -11.178 -11.178
  281    H    GLY  37           HN       GLY  37 -11.432 -14.845 -14.845
  282   1HA   GLY  37           HA2      GLY  37  -9.559 -16.229 -16.229
  283   2HA   GLY  37           HA1      GLY  37 -10.457 -16.955 -16.955
  284    H    HIS  38           HN       HIS  38  -7.828 -14.582 -14.582
  285    HA   HIS  38           HA       HIS  38  -5.797 -15.987 -15.987
  286   1HB   HIS  38           HB2      HIS  38  -7.881 -15.073 -15.073
  287   2HB   HIS  38           HB1      HIS  38  -6.518 -13.994 -13.994
  288    HD1  HIS  38           HD1      HIS  38  -6.371 -17.704 -17.704
  289    HD2  HIS  38           HD2      HIS  38  -5.419 -15.116 -15.116
  290    HE1  HIS  38           HE1      HIS  38  -5.146 -19.090 -19.090
  291    H    CYS  39           HN       CYS  39  -7.254 -12.898 -12.898
  292    HA   CYS  39           HA       CYS  39  -4.943 -11.241 -11.241
  293   1HB   CYS  39           HB2      CYS  39  -7.439 -11.079 -11.079
  294   2HB   CYS  39           HB1      CYS  39  -6.285  -9.755  -9.755
  295    H    LYS  40           HN       LYS  40  -5.918 -13.510 -13.510
  296    HA   LYS  40           HA       LYS  40  -4.426 -12.505 -12.505
  297   1HB   LYS  40           HB2      LYS  40  -5.234 -15.309 -15.309
  298   2HB   LYS  40           HB1      LYS  40  -4.680 -14.864 -14.864
  299   1HG   LYS  40           HG2      LYS  40  -6.571 -13.467 -13.467
  300   2HG   LYS  40           HG1      LYS  40  -7.022 -13.492 -13.492
  301   1HD   LYS  40           HD2      LYS  40  -8.513 -15.011 -15.011
  302   2HD   LYS  40           HD1      LYS  40  -7.329 -16.015 -16.015
  303   1HE   LYS  40           HE2      LYS  40  -6.071 -16.342 -16.342
  304   2HE   LYS  40           HE1      LYS  40  -7.158 -15.235 -15.235
  305   1HZ   LYS  40           HZ2      LYS  40  -8.204 -17.553 -17.553
  306   2HZ   LYS  40           HZ1      LYS  40  -7.688 -17.721 -17.721
  307   3HZ   LYS  40           HZ3      LYS  40  -8.960 -16.663 -16.663
  308    H    ALA  41           HN       ALA  41  -3.547 -14.435 -14.435
  309    HA   ALA  41           HA       ALA  41  -1.002 -15.392 -15.392
  310   1HB   ALA  41           HB2      ALA  41  -2.410 -14.956 -14.956
  311   2HB   ALA  41           HB1      ALA  41  -0.687 -15.332 -15.332
  312   3HB   ALA  41           HB3      ALA  41  -1.820 -16.458 -16.458
  313    H    LEU  42           HN       LEU  42  -2.072 -12.268 -12.268
  314    HA   LEU  42           HA       LEU  42   0.781 -11.340 -11.340
  315   1HB   LEU  42           HB2      LEU  42  -0.857 -11.370 -11.370
  316   2HB   LEU  42           HB1      LEU  42  -1.501  -9.909  -9.909
  317    HG   LEU  42           HG       LEU  42   1.065  -9.260  -9.260
  318   1HD1  LEU  42          HD12      LEU  42   0.947 -11.523 -11.523
  319   2HD1  LEU  42          HD11      LEU  42   1.977 -10.153 -10.153
  320   3HD1  LEU  42          HD13      LEU  42   2.251 -11.041 -11.041
  321   1HD2  LEU  42          HD21      LEU  42  -0.546  -9.167  -9.167
  322   2HD2  LEU  42          HD23      LEU  42  -0.619  -7.993  -7.993
  323   3HD2  LEU  42          HD22      LEU  42   0.852  -8.151  -8.151
  324    H    ALA  43           HN       ALA  43  -1.467 -11.463 -11.463
  325    HA   ALA  43           HA       ALA  43  -1.819  -8.591  -8.591
  326   1HB   ALA  43           HB3      ALA  43  -3.231 -10.959 -10.959
  327   2HB   ALA  43           HB2      ALA  43  -2.621 -10.520 -10.520
  328   3HB   ALA  43           HB1      ALA  43  -3.614  -9.381  -9.381
  329    HA   PRO  44           HA       PRO  44   1.048  -9.780  -9.780
  330   1HB   PRO  44           HB2      PRO  44   1.886 -12.366 -12.366
  331   2HB   PRO  44           HB1      PRO  44   0.344 -11.776 -11.776
  332   1HG   PRO  44           HG2      PRO  44   0.864 -13.558 -13.558
  333   2HG   PRO  44           HG1      PRO  44  -0.628 -13.304 -13.304
  334   1HD   PRO  44           HD2      PRO  44   0.094 -12.233 -12.233
  335   2HD   PRO  44           HD1      PRO  44  -1.423 -12.039 -12.039
  336    H    GLU  45           HN       GLU  45   1.630 -10.444 -10.444
  337    HA   GLU  45           HA       GLU  45   4.571 -10.808 -10.808
  338   1HB   GLU  45           HB2      GLU  45   2.630 -10.992 -10.992
  339   2HB   GLU  45           HB1      GLU  45   4.374 -11.180 -11.180
  340   1HG   GLU  45           HG1      GLU  45   3.115 -12.828 -12.828
  341   2HG   GLU  45           HG2      GLU  45   2.692 -13.260 -13.260
  342    H    TYR  46           HN       TYR  46   2.188  -8.916  -8.916
  343    HA   TYR  46           HA       TYR  46   3.884  -6.825  -6.825
  344   1HB   TYR  46           HB2      TYR  46   1.718  -7.039  -7.039
  345   2HB   TYR  46           HB1      TYR  46   0.949  -7.151  -7.151
  346    HD1  TYR  46           HD1      TYR  46   0.807  -5.099  -5.099
  347    HD2  TYR  46           HD2      TYR  46   2.097  -4.959  -4.959
  348    HE1  TYR  46           HE1      TYR  46   0.390  -2.656  -2.656
  349    HE2  TYR  46           HE2      TYR  46   1.684  -2.508  -2.508
  350    HH   TYR  46           HH       TYR  46   1.488  -0.634  -0.634
  351    H    ALA  47           HN       ALA  47   2.584  -7.566  -7.566
  352    HA   ALA  47           HA       ALA  47   2.985  -4.871  -4.871
  353   1HB   ALA  47           HB1      ALA  47   1.798  -7.406  -7.406
  354   2HB   ALA  47           HB3      ALA  47   2.811  -6.815  -6.815
  355   3HB   ALA  47           HB2      ALA  47   1.501  -5.812  -5.812
  356    H    LYS  48           HN       LYS  48   4.970  -7.636  -7.636
  357    HA   LYS  48           HA       LYS  48   6.912  -7.076  -7.076
  358   1HB   LYS  48           HB2      LYS  48   6.387  -9.067  -9.067
  359   2HB   LYS  48           HB1      LYS  48   8.093  -8.808  -8.808
  360   1HG   LYS  48           HG2      LYS  48   7.907  -9.643  -9.643
  361   2HG   LYS  48           HG1      LYS  48   6.243  -9.085  -9.085
  362   1HD   LYS  48           HD2      LYS  48   5.713 -11.278 -11.278
  363   2HD   LYS  48           HD1      LYS  48   5.965 -10.922 -10.922
  364   1HE   LYS  48           HE2      LYS  48   7.802 -12.251 -12.251
  365   2HE   LYS  48           HE1      LYS  48   8.488 -11.485 -11.485
  366   1HZ   LYS  48           HZ2      LYS  48   6.272 -13.467 -13.467
  367   2HZ   LYS  48           HZ1      LYS  48   7.893 -13.835 -13.835
  368   3HZ   LYS  48           HZ3      LYS  48   7.026 -12.781 -12.781
  369    H    ALA  49           HN       ALA  49   6.439  -6.216  -6.216
  370    HA   ALA  49           HA       ALA  49   9.040  -5.566  -5.566
  371   1HB   ALA  49           HB2      ALA  49   6.789  -5.475  -5.475
  372   2HB   ALA  49           HB1      ALA  49   6.560  -3.893  -3.893
  373   3HB   ALA  49           HB3      ALA  49   7.906  -4.159  -4.159
  374    H    ALA  50           HN       ALA  50   6.873  -3.777  -3.777
  375    HA   ALA  50           HA       ALA  50   8.389  -1.334  -1.334
  376   1HB   ALA  50           HB2      ALA  50   5.963  -2.104  -2.104
  377   2HB   ALA  50           HB1      ALA  50   6.812  -2.384  -2.384
  378   3HB   ALA  50           HB3      ALA  50   6.799  -0.773  -0.773
  379    H    GLY  51           HN       GLY  51   8.563  -4.401  -4.401
  380   1HA   GLY  51           HA2      GLY  51  10.459  -3.437  -3.437
  381   2HA   GLY  51           HA1      GLY  51  10.057  -5.127  -5.127
  382    H    LYS  52           HN       LYS  52  10.698  -4.952  -4.952
  383    HA   LYS  52           HA       LYS  52  13.450  -5.691  -5.691
  384   1HB   LYS  52           HB2      LYS  52  11.441  -4.913  -4.913
  385   2HB   LYS  52           HB1      LYS  52  13.113  -5.233  -5.233
  386   1HG   LYS  52           HG2      LYS  52  11.873  -7.225  -7.225
  387   2HG   LYS  52           HG1      LYS  52  11.229  -7.175  -7.175
  388   1HD   LYS  52           HD2      LYS  52  13.168  -7.957  -7.957
  389   2HD   LYS  52           HD1      LYS  52  14.183  -7.068  -7.068
  390   1HE   LYS  52           HE2      LYS  52  13.328  -8.761  -8.761
  391   2HE   LYS  52           HE1      LYS  52  12.841  -9.746  -9.746
  392   1HZ   LYS  52           HZ2      LYS  52  15.097  -9.453  -9.453
  393   2HZ   LYS  52           HZ1      LYS  52  15.550  -8.637  -8.637
  394   3HZ   LYS  52           HZ3      LYS  52  15.105 -10.273 -10.273
  395    H    LEU  53           HN       LEU  53  11.977  -2.565  -2.565
  396    HA   LEU  53           HA       LEU  53  14.642  -1.335  -1.335
  397   1HB   LEU  53           HB1      LEU  53  13.393   0.490   0.490
  398   2HB   LEU  53           HB2      LEU  53  12.962  -1.054  -1.054
  399    HG   LEU  53           HG       LEU  53  11.103  -0.937  -0.937
  400   1HD1  LEU  53          HD13      LEU  53  11.903   1.321   1.321
  401   2HD1  LEU  53          HD12      LEU  53  11.516   1.922   1.922
  402   3HD1  LEU  53          HD11      LEU  53  10.231   1.338   1.338
  403   1HD2  LEU  53          HD21      LEU  53  10.969   0.314   0.314
  404   2HD2  LEU  53          HD23      LEU  53  10.626  -1.368  -1.368
  405   3HD2  LEU  53          HD22      LEU  53   9.560  -0.086  -0.086
  406    H    LYS  54           HN       LYS  54  12.579  -1.930  -1.930
  407    HA   LYS  54           HA       LYS  54  11.985   0.484   0.484
  408   1HB   LYS  54           HB2      LYS  54  12.074  -2.263  -2.263
  409   2HB   LYS  54           HB1      LYS  54  13.103  -1.527  -1.527
  410   1HG   LYS  54           HG2      LYS  54  10.891   0.179   0.179
  411   2HG   LYS  54           HG1      LYS  54  10.210  -1.445  -1.445
  412   1HD   LYS  54           HD2      LYS  54  12.152  -0.468  -0.468
  413   2HD   LYS  54           HD1      LYS  54  10.415  -0.672  -0.672
  414   1HE   LYS  54           HE2      LYS  54  11.856  -3.039  -3.039
  415   2HE   LYS  54           HE1      LYS  54  12.185  -2.624  -2.624
  416   1HZ   LYS  54           HZ3      LYS  54   9.433  -2.637  -2.637
  417   2HZ   LYS  54           HZ2      LYS  54  10.142  -4.057  -4.057
  418   3HZ   LYS  54           HZ1      LYS  54   9.931  -2.709  -2.709
  419    H    ALA  55           HN       ALA  55  15.040  -1.363  -1.363
  420    HA   ALA  55           HA       ALA  55  16.366   0.875   0.875
  421   1HB   ALA  55           HB3      ALA  55  16.881  -2.008  -2.008
  422   2HB   ALA  55           HB2      ALA  55  18.270  -0.976  -0.976
  423   3HB   ALA  55           HB1      ALA  55  16.990  -1.159  -1.159
  424    H    GLU  56           HN       GLU  56  15.527   0.828   0.828
  425    HA   GLU  56           HA       GLU  56  18.237   1.459   1.459
  426   1HB   GLU  56           HB2      GLU  56  15.707   0.503   0.503
  427   2HB   GLU  56           HB1      GLU  56  17.277   0.743   0.743
  428   1HG   GLU  56           HG2      GLU  56  18.173  -0.926  -0.926
  429   2HG   GLU  56           HG1      GLU  56  16.481  -1.338  -1.338
  430    H    GLY  57           HN       GLY  57  16.899   3.467   3.467
  431   1HA   GLY  57           HA2      GLY  57  16.557   5.787   5.787
  432   2HA   GLY  57           HA1      GLY  57  16.371   5.402   5.402
  433    H    SER  58           HN       SER  58  14.356   3.587   3.587
  434    HA   SER  58           HA       SER  58  12.013   3.445   3.445
  435   1HB   SER  58           HB1      SER  58  12.574   2.888   2.888
  436   2HB   SER  58           HB2      SER  58  12.540   4.602   4.602
  437    HG   SER  58           HG       SER  58  10.523   4.136   4.136
  438    H    GLU  59           HN       GLU  59  12.501   5.450   5.450
  439    HA   GLU  59           HA       GLU  59  11.250   7.933   7.933
  440   1HB   GLU  59           HB2      GLU  59  12.149   8.882   8.882
  441   2HB   GLU  59           HB1      GLU  59  13.406   7.935   7.935
  442   1HG   GLU  59           HG2      GLU  59  13.130   7.568   7.568
  443   2HG   GLU  59           HG1      GLU  59  13.119   6.115   6.115
  444    H    ILE  60           HN       ILE  60   9.961   5.183   5.183
  445    HA   ILE  60           HA       ILE  60   7.837   6.392   6.392
  446    HB   ILE  60           HB       ILE  60   7.779   4.199   4.199
  447   1HG1  ILE  60          HG11      ILE  60  10.035   3.556   3.556
  448   2HG1  ILE  60          HG12      ILE  60   8.466   2.762   2.762
  449   1HG2  ILE  60          HG22      ILE  60   9.917   6.104   6.104
  450   2HG2  ILE  60          HG21      ILE  60  10.597   4.503   4.503
  451   3HG2  ILE  60          HG23      ILE  60   9.305   5.107   5.107
  452   1HD1  ILE  60          HD13      ILE  60   9.596   2.647   2.647
  453   2HD1  ILE  60          HD12      ILE  60  10.868   2.184   2.184
  454   3HD1  ILE  60          HD11      ILE  60   9.335   1.309   1.309
  455    H    ARG  61           HN       ARG  61   5.921   4.634   4.634
  456    HA   ARG  61           HA       ARG  61   5.597   3.345   3.345
  457   1HB   ARG  61           HB2      ARG  61   5.126   5.954   5.954
  458   2HB   ARG  61           HB1      ARG  61   3.584   5.445   5.445
  459   1HG   ARG  61           HG1      ARG  61   2.848   4.710   4.710
  460   2HG   ARG  61           HG2      ARG  61   4.317   3.770   3.770
  461   1HD   ARG  61           HD2      ARG  61   5.479   5.697   5.697
  462   2HD   ARG  61           HD1      ARG  61   4.135   6.769   6.769
  463    HE   ARG  61           HE       ARG  61   2.816   4.994   4.994
  464   1HH1  ARG  61          HH21      ARG  61   4.253   3.756   3.756
  465   2HH1  ARG  61          HH22      ARG  61   4.918   4.888   4.888
  466   1HH2  ARG  61          HH11      ARG  61   4.382   7.643   7.643
  467   2HH2  ARG  61          HH12      ARG  61   4.991   7.088   7.088
  468    H    LEU  62           HN       LEU  62   4.656   1.438   1.438
  469    HA   LEU  62           HA       LEU  62   2.995   1.211   1.211
  470   1HB   LEU  62           HB2      LEU  62   3.709  -0.733  -0.733
  471   2HB   LEU  62           HB1      LEU  62   2.969  -1.174  -1.174
  472    HG   LEU  62           HG       LEU  62   5.419   0.453   0.453
  473   1HD1  LEU  62          HD22      LEU  62   5.382  -2.193  -2.193
  474   2HD1  LEU  62          HD21      LEU  62   6.736  -1.801  -1.801
  475   3HD1  LEU  62          HD23      LEU  62   6.372  -0.770  -0.770
  476   1HD2  LEU  62          HD13      LEU  62   3.863  -1.229  -1.229
  477   2HD2  LEU  62          HD12      LEU  62   5.451  -0.588  -0.588
  478   3HD2  LEU  62          HD11      LEU  62   5.313  -2.181  -2.181
  479    H    ALA  63           HN       ALA  63   0.747   0.201   0.201
  480    HA   ALA  63           HA       ALA  63  -0.569   0.633   0.633
  481   1HB   ALA  63           HB1      ALA  63  -0.362   2.765   2.765
  482   2HB   ALA  63           HB3      ALA  63  -1.784   2.039   2.039
  483   3HB   ALA  63           HB2      ALA  63  -1.813   2.477   2.477
  484    H    LYS  64           HN       LYS  64  -2.993   0.125   0.125
  485    HA   LYS  64           HA       LYS  64  -3.566  -1.842  -1.842
  486   1HB   LYS  64           HB1      LYS  64  -3.022  -2.302  -2.302
  487   2HB   LYS  64           HB2      LYS  64  -4.569  -2.980  -2.980
  488   1HG   LYS  64           HG2      LYS  64  -3.577  -4.584  -4.584
  489   2HG   LYS  64           HG1      LYS  64  -2.388  -3.453  -3.453
  490   1HD   LYS  64           HD2      LYS  64  -1.277  -5.171  -5.171
  491   2HD   LYS  64           HD1      LYS  64  -1.114  -3.586  -3.586
  492   1HE   LYS  64           HE2      LYS  64  -3.523  -4.596  -4.596
  493   2HE   LYS  64           HE1      LYS  64  -2.406  -5.974  -5.974
  494   1HZ   LYS  64           HZ2      LYS  64  -0.715  -4.344  -4.344
  495   2HZ   LYS  64           HZ1      LYS  64  -2.007  -3.272  -3.272
  496   3HZ   LYS  64           HZ3      LYS  64  -1.966  -4.766  -4.766
  497    H    VAL  65           HN       VAL  65  -5.901  -2.230  -2.230
  498    HA   VAL  65           HA       VAL  65  -7.648  -0.330  -0.330
  499    HB   VAL  65           HB       VAL  65  -7.459  -0.681  -0.681
  500   1HG1  VAL  65          HG11      VAL  65  -9.439   0.690   0.690
  501   2HG1  VAL  65          HG13      VAL  65  -9.091   1.377   1.377
  502   3HG1  VAL  65          HG12      VAL  65  -9.732  -0.262  -0.262
  503   1HG2  VAL  65          HG21      VAL  65  -6.808   1.634   1.634
  504   2HG2  VAL  65          HG23      VAL  65  -5.656   0.690   0.690
  505   3HG2  VAL  65          HG22      VAL  65  -6.822   1.731   1.731
  506    H    ASP  66           HN       ASP  66  -9.854  -0.987  -0.987
  507    HA   ASP  66           HA       ASP  66 -10.294  -3.882  -3.882
  508   1HB   ASP  66           HB2      ASP  66 -11.184  -1.854  -1.854
  509   2HB   ASP  66           HB1      ASP  66 -12.440  -2.979  -2.979
  510    H    ALA  67           HN       ALA  67 -10.829  -3.769  -3.769
  511    HA   ALA  67           HA       ALA  67 -12.393  -1.931  -1.931
  512   1HB   ALA  67           HB3      ALA  67 -11.240  -4.364  -4.364
  513   2HB   ALA  67           HB2      ALA  67 -12.950  -4.780  -4.780
  514   3HB   ALA  67           HB1      ALA  67 -12.281  -3.534  -3.534
  515    H    THR  68           HN       THR  68 -13.477  -4.300  -4.300
  516    HA   THR  68           HA       THR  68 -16.321  -3.962  -3.962
  517    HB   THR  68           HB       THR  68 -16.503  -5.525  -5.525
  518    HG1  THR  68           HG1      THR  68 -14.425  -4.890  -4.890
  519   1HG2  THR  68          HG22      THR  68 -15.029  -6.146  -6.146
  520   2HG2  THR  68          HG21      THR  68 -15.319  -7.409  -7.409
  521   3HG2  THR  68          HG23      THR  68 -16.680  -6.569  -6.569
  522    H    GLU  69           HN       GLU  69 -14.053  -2.330  -2.330
  523    HA   GLU  69           HA       GLU  69 -16.247  -1.239  -1.239
  524   1HB   GLU  69           HB2      GLU  69 -14.150  -2.556  -2.556
  525   2HB   GLU  69           HB1      GLU  69 -13.302  -1.037  -1.037
  526   1HG   GLU  69           HG2      GLU  69 -15.176   0.084   0.084
  527   2HG   GLU  69           HG1      GLU  69 -15.629  -1.544  -1.544
  528    H    GLU  70           HN       GLU  70 -13.253  -0.347  -0.347
  529    HA   GLU  70           HA       GLU  70 -14.301   2.465   2.465
  530   1HB   GLU  70           HB2      GLU  70 -11.477   1.356   1.356
  531   2HB   GLU  70           HB1      GLU  70 -11.872   3.065   3.065
  532   1HG   GLU  70           HG1      GLU  70 -12.075   3.263   3.263
  533   2HG   GLU  70           HG2      GLU  70 -13.344   2.040   2.040
  534    H    SER  71           HN       SER  71 -15.256   0.828   0.828
  535    HA   SER  71           HA       SER  71 -13.510   0.680   0.680
  536   1HB   SER  71           HB2      SER  71 -15.833  -0.491  -0.491
  537   2HB   SER  71           HB1      SER  71 -16.452   0.666   0.666
  538    HG   SER  71           HG       SER  71 -14.474  -1.334  -1.334
  539    H    ASP  72           HN       ASP  72 -15.149   3.275   3.275
  540    HA   ASP  72           HA       ASP  72 -16.214   4.778   4.778
  541   1HB   ASP  72           HB1      ASP  72 -15.333   5.122   5.122
  542   2HB   ASP  72           HB2      ASP  72 -14.900   6.541   6.541
  543    H    LEU  73           HN       LEU  73 -12.886   4.021   4.021
  544    HA   LEU  73           HA       LEU  73 -11.933   6.123   6.123
  545   1HB   LEU  73           HB1      LEU  73 -10.435   4.295   4.295
  546   2HB   LEU  73           HB2      LEU  73  -9.754   5.665   5.665
  547    HG   LEU  73           HG       LEU  73 -12.031   6.663   6.663
  548   1HD1  LEU  73          HD11      LEU  73 -11.730   4.477   4.477
  549   2HD1  LEU  73          HD13      LEU  73 -10.258   5.219   5.219
  550   3HD1  LEU  73          HD12      LEU  73 -11.820   5.983   5.983
  551   1HD2  LEU  73          HD21      LEU  73  -9.342   7.297   7.297
  552   2HD2  LEU  73          HD23      LEU  73 -10.523   8.270   8.270
  553   3HD2  LEU  73          HD22      LEU  73  -9.497   7.131   7.131
  554    H    ALA  74           HN       ALA  74 -11.737   2.640   2.640
  555    HA   ALA  74           HA       ALA  74 -10.126   1.866   1.866
  556   1HB   ALA  74           HB3      ALA  74 -11.782   0.709   0.709
  557   2HB   ALA  74           HB2      ALA  74 -12.096  -0.117  -0.117
  558   3HB   ALA  74           HB1      ALA  74 -10.454  -0.041  -0.041
  559    H    GLN  75           HN       GLN  75 -13.702   1.695   1.695
  560    HA   GLN  75           HA       GLN  75 -14.243   1.065   1.065
  561   1HB   GLN  75           HB2      GLN  75 -15.753   2.626   2.626
  562   2HB   GLN  75           HB1      GLN  75 -16.480   2.125   2.125
  563   1HG   GLN  75           HG1      GLN  75 -15.057   0.031   0.031
  564   2HG   GLN  75           HG2      GLN  75 -16.605   0.596   0.596
  565   1HE2  GLN  75          HE22      GLN  75 -18.161  -1.699  -1.699
  566   2HE2  GLN  75          HE21      GLN  75 -17.926  -1.200  -1.200
  567    H    GLN  76           HN       GLN  76 -13.424   4.131   4.131
  568    HA   GLN  76           HA       GLN  76 -14.300   5.847   5.847
  569   1HB   GLN  76           HB2      GLN  76 -13.457   6.138   6.138
  570   2HB   GLN  76           HB1      GLN  76 -12.003   6.629   6.629
  571   1HG   GLN  76           HG2      GLN  76 -13.475   8.162   8.162
  572   2HG   GLN  76           HG1      GLN  76 -14.787   7.792   7.792
  573   1HE2  GLN  76          HE22      GLN  76 -11.756  10.266  10.266
  574   2HE2  GLN  76          HE21      GLN  76 -11.650   9.423   9.423
  575    H    TYR  77           HN       TYR  77 -11.292   4.133   4.133
  576    HA   TYR  77           HA       TYR  77  -9.771   5.399   5.399
  577   1HB   TYR  77           HB1      TYR  77  -9.419   3.063   3.063
  578   2HB   TYR  77           HB2      TYR  77  -8.228   3.411   3.411
  579    HD1  TYR  77           HD2      TYR  77  -8.057   6.277   6.277
  580    HD2  TYR  77           HD1      TYR  77  -8.594   3.769   3.769
  581    HE1  TYR  77           HE2      TYR  77  -7.061   8.037   8.037
  582    HE2  TYR  77           HE1      TYR  77  -7.599   5.528   5.528
  583    HH   TYR  77           HH       TYR  77  -5.977   8.266   8.266
  584    H    GLY  78           HN       GLY  78 -11.390   2.264   2.264
  585   1HA   GLY  78           HA1      GLY  78 -12.590   1.497   1.497
  586   2HA   GLY  78           HA2      GLY  78 -11.022   1.726   1.726
  587    H    VAL  79           HN       VAL  79 -11.984   0.267   0.267
  588    HA   VAL  79           HA       VAL  79 -10.252  -2.073  -2.073
  589    HB   VAL  79           HB       VAL  79 -11.518  -1.072  -1.072
  590   1HG1  VAL  79          HG11      VAL  79  -9.689  -3.373  -3.373
  591   2HG1  VAL  79          HG13      VAL  79  -9.655  -2.628  -2.628
  592   3HG1  VAL  79          HG12      VAL  79 -11.141  -3.369  -3.369
  593   1HG2  VAL  79          HG23      VAL  79  -9.435   0.040   0.040
  594   2HG2  VAL  79          HG22      VAL  79  -9.672   0.211   0.211
  595   3HG2  VAL  79          HG21      VAL  79  -8.593  -1.036  -1.036
  596    H    ARG  80           HN       ARG  80 -11.435  -3.691  -3.691
  597    HA   ARG  80           HA       ARG  80 -14.194  -4.239  -4.239
  598   1HB   ARG  80           HB2      ARG  80 -12.798  -4.518  -4.518
  599   2HB   ARG  80           HB1      ARG  80 -14.278  -5.412  -5.412
  600   1HG   ARG  80           HG2      ARG  80 -14.916  -2.872  -2.872
  601   2HG   ARG  80           HG1      ARG  80 -13.904  -2.548  -2.548
  602   1HD   ARG  80           HD2      ARG  80 -15.618  -3.105  -3.105
  603   2HD   ARG  80           HD1      ARG  80 -15.713  -4.711  -4.711
  604    HE   ARG  80           HE       ARG  80 -17.200  -3.738  -3.738
  605   1HH1  ARG  80          HH21      ARG  80 -16.194  -0.873  -0.873
  606   2HH1  ARG  80          HH22      ARG  80 -17.639  -0.215  -0.215
  607   1HH2  ARG  80          HH11      ARG  80 -19.183  -3.298  -3.298
  608   2HH2  ARG  80          HH12      ARG  80 -19.332  -1.589  -1.589
  609    H    GLY  81           HN       GLY  81 -11.417  -5.237  -5.237
  610   1HA   GLY  81           HA2      GLY  81 -12.188  -7.923  -7.923
  611   2HA   GLY  81           HA1      GLY  81 -11.033  -7.947  -7.947
  612    H    TYR  82           HN       TYR  82 -10.702  -8.860  -8.860
  613    HA   TYR  82           HA       TYR  82  -8.505  -7.001  -7.001
  614   1HB   TYR  82           HB2      TYR  82  -9.979  -9.100  -9.100
  615   2HB   TYR  82           HB1      TYR  82  -8.943  -7.816  -7.816
  616    HD1  TYR  82           HD1      TYR  82  -9.919  -5.552  -5.552
  617    HD2  TYR  82           HD2      TYR  82 -12.041  -8.566  -8.566
  618    HE1  TYR  82           HE1      TYR  82 -11.886  -4.051  -4.051
  619    HE2  TYR  82           HE2      TYR  82 -14.008  -7.063  -7.063
  620    HH   TYR  82           HH       TYR  82 -14.438  -4.393  -4.393
  621    HA   PRO  83           HA       PRO  83  -7.169  -7.249  -7.249
  622   1HB   PRO  83           HB1      PRO  83  -4.466  -7.295  -7.295
  623   2HB   PRO  83           HB2      PRO  83  -5.582  -8.317  -8.317
  624   1HG   PRO  83           HG1      PRO  83  -3.708  -9.037  -9.037
  625   2HG   PRO  83           HG2      PRO  83  -4.428 -10.049 -10.049
  626   1HD   PRO  83           HD2      PRO  83  -5.197  -9.839  -9.839
  627   2HD   PRO  83           HD1      PRO  83  -5.950 -10.822 -10.822
  628    H    THR  84           HN       THR  84  -6.607  -5.090  -5.090
  629    HA   THR  84           HA       THR  84  -5.274  -4.746  -4.746
  630    HB   THR  84           HB       THR  84  -6.996  -2.647  -2.647
  631    HG1  THR  84           HG1      THR  84  -7.883  -5.119  -5.119
  632   1HG2  THR  84          HG22      THR  84  -5.817  -3.156  -3.156
  633   2HG2  THR  84          HG21      THR  84  -7.554  -3.360  -3.360
  634   3HG2  THR  84          HG23      THR  84  -6.921  -1.845  -1.845
  635    H    ILE  85           HN       ILE  85  -3.127  -4.338  -4.338
  636    HA   ILE  85           HA       ILE  85  -2.596  -2.435  -2.435
  637    HB   ILE  85           HB       ILE  85  -0.786  -4.149  -4.149
  638   1HG1  ILE  85          HG11      ILE  85  -0.737  -5.225  -5.225
  639   2HG1  ILE  85          HG12      ILE  85  -2.405  -4.657  -4.657
  640   1HG2  ILE  85          HG23      ILE  85  -0.307  -2.497  -2.497
  641   2HG2  ILE  85          HG22      ILE  85   0.797  -3.763  -3.763
  642   3HG2  ILE  85          HG21      ILE  85   0.507  -2.359  -2.359
  643   1HD1  ILE  85          HD13      ILE  85  -1.231  -6.189  -6.189
  644   2HD1  ILE  85          HD12      ILE  85  -1.830  -7.054  -7.054
  645   3HD1  ILE  85          HD11      ILE  85  -2.920  -6.031  -6.031
  646    H    LYS  86           HN       LYS  86  -1.900  -0.362  -0.362
  647    HA   LYS  86           HA       LYS  86  -0.977   0.360   0.360
  648   1HB   LYS  86           HB1      LYS  86  -2.931   1.881   1.881
  649   2HB   LYS  86           HB2      LYS  86  -2.390   2.372   2.372
  650   1HG   LYS  86           HG2      LYS  86  -3.264  -0.212  -0.212
  651   2HG   LYS  86           HG1      LYS  86  -4.417   0.386   0.386
  652   1HD   LYS  86           HD2      LYS  86  -4.022   2.494   2.494
  653   2HD   LYS  86           HD1      LYS  86  -4.234   1.027   1.027
  654   1HE   LYS  86           HE2      LYS  86  -6.102   1.360   1.360
  655   2HE   LYS  86           HE1      LYS  86  -6.335   2.457   2.457
  656   1HZ   LYS  86           HZ1      LYS  86  -5.848  -0.432  -0.432
  657   2HZ   LYS  86           HZ3      LYS  86  -7.416   0.144   0.144
  658   3HZ   LYS  86           HZ2      LYS  86  -6.554   0.684   0.684
  659    H    PHE  87           HN       PHE  87   0.106   2.603   2.603
  660    HA   PHE  87           HA       PHE  87   1.425   3.055   3.055
  661   1HB   PHE  87           HB1      PHE  87   2.879   1.766   1.766
  662   2HB   PHE  87           HB2      PHE  87   2.661   2.969   2.969
  663    HD1  PHE  87           HD1      PHE  87   3.135   3.552   3.552
  664    HD2  PHE  87           HD2      PHE  87   4.840   3.862   3.862
  665    HE1  PHE  87           HE1      PHE  87   5.023   4.867   4.867
  666    HE2  PHE  87           HE2      PHE  87   6.726   5.179   5.179
  667    HZ   PHE  87           HZ       PHE  87   6.817   5.680   5.680
  668    H    PHE  88           HN       PHE  88   1.225   5.165   5.165
  669    HA   PHE  88           HA       PHE  88   0.596   7.203   7.203
  670   1HB   PHE  88           HB2      PHE  88  -0.284   6.677   6.677
  671   2HB   PHE  88           HB1      PHE  88  -0.321   8.334   8.334
  672    HD1  PHE  88           HD1      PHE  88  -1.391   4.856   4.856
  673    HD2  PHE  88           HD2      PHE  88  -2.107   9.064   9.064
  674    HE1  PHE  88           HE1      PHE  88  -3.496   4.364   4.364
  675    HE2  PHE  88           HE2      PHE  88  -4.211   8.575   8.575
  676    HZ   PHE  88           HZ       PHE  88  -4.890   6.213   6.213
  677    H    ARG  89           HN       ARG  89   1.305   9.471   9.471
  678    HA   ARG  89           HA       ARG  89   3.652   9.580   9.580
  679   1HB   ARG  89           HB2      ARG  89   5.077  10.445  10.445
  680   2HB   ARG  89           HB1      ARG  89   4.590   8.765   8.765
  681   1HG   ARG  89           HG2      ARG  89   3.010   9.306   9.306
  682   2HG   ARG  89           HG1      ARG  89   2.940  10.998  10.998
  683   1HD   ARG  89           HD2      ARG  89   4.978  11.524  11.524
  684   2HD   ARG  89           HD1      ARG  89   5.523   9.835   9.835
  685    HE   ARG  89           HE       ARG  89   3.630   9.406   9.406
  686   1HH1  ARG  89          HH11      ARG  89   2.040  11.291  11.291
  687   2HH1  ARG  89          HH12      ARG  89   2.898  12.415  12.415
  688   1HH2  ARG  89          HH21      ARG  89   6.029  11.387  11.387
  689   2HH2  ARG  89          HH22      ARG  89   5.156  12.469  12.469
  690    H    ASN  90           HN       ASN  90   3.980  11.663  11.663
  691    HA   ASN  90           HA       ASN  90   3.229  13.788  13.788
  692   1HB   ASN  90           HB1      ASN  90   4.004  15.287  15.287
  693   2HB   ASN  90           HB2      ASN  90   4.892  13.810  13.810
  694   1HD2  ASN  90          HD22      ASN  90   2.318  15.235  15.235
  695   2HD2  ASN  90          HD21      ASN  90   2.488  16.011  16.011
  696    H    GLY  91           HN       GLY  91   0.901  12.081  12.081
  697   1HA   GLY  91           HA2      GLY  91  -1.404  12.301  12.301
  698   2HA   GLY  91           HA1      GLY  91  -1.163  13.995  13.995
  699    H    ASP  92           HN       ASP  92   0.399  12.397  12.397
  700    HA   ASP  92           HA       ASP  92  -0.203  14.404  14.404
  701   1HB   ASP  92           HB2      ASP  92   0.431  12.656  12.656
  702   2HB   ASP  92           HB1      ASP  92   1.487  12.600  12.600
  703    H    THR  93           HN       THR  93  -2.019  11.480  11.480
  704    HA   THR  93           HA       THR  93  -4.160  10.717  10.717
  705    HB   THR  93           HB       THR  93  -5.830  12.544  12.544
  706    HG1  THR  93           HG1      THR  93  -5.092  14.620  14.620
  707   1HG2  THR  93          HG21      THR  93  -3.541  12.086  12.086
  708   2HG2  THR  93          HG23      THR  93  -4.680  13.373  13.373
  709   3HG2  THR  93          HG22      THR  93  -5.253  11.716  11.716
  710    H    ALA  94           HN       ALA  94  -2.312  11.513  11.513
  711    HA   ALA  94           HA       ALA  94  -4.404  12.210  12.210
  712   1HB   ALA  94           HB2      ALA  94  -1.847  13.326  13.326
  713   2HB   ALA  94           HB1      ALA  94  -1.753  12.638  12.638
  714   3HB   ALA  94           HB3      ALA  94  -2.975  13.854  13.854
  715    H    SER  95           HN       SER  95  -1.117  10.913  10.913
  716    HA   SER  95           HA       SER  95  -2.286   8.521   8.521
  717   1HB   SER  95           HB2      SER  95  -0.942  10.394  10.394
  718   2HB   SER  95           HB1      SER  95   0.466   9.657   9.657
  719    HG   SER  95           HG       SER  95  -1.350   8.542   8.542
  720    HA   PRO  96           HA       PRO  96   0.079   7.030   7.030
  721   1HB   PRO  96           HB1      PRO  96  -1.650   4.989   4.989
  722   2HB   PRO  96           HB2      PRO  96  -1.861   6.646   6.646
  723   1HG   PRO  96           HG2      PRO  96  -3.197   5.258   5.258
  724   2HG   PRO  96           HG1      PRO  96  -3.877   6.378   6.378
  725   1HD   PRO  96           HD2      PRO  96  -3.219   7.114   7.114
  726   2HD   PRO  96           HD1      PRO  96  -3.192   8.232   8.232
  727    H    LYS  97           HN       LYS  97   1.206   4.926   4.926
  728    HA   LYS  97           HA       LYS  97   1.417   3.520   3.520
  729   1HB   LYS  97           HB2      LYS  97   3.221   4.104   4.104
  730   2HB   LYS  97           HB1      LYS  97   3.592   2.736   2.736
  731   1HG   LYS  97           HG2      LYS  97   4.617   4.242   4.242
  732   2HG   LYS  97           HG1      LYS  97   2.994   4.765   4.765
  733   1HD   LYS  97           HD2      LYS  97   2.998   6.500   6.500
  734   2HD   LYS  97           HD1      LYS  97   4.464   5.868   5.868
  735   1HE   LYS  97           HE2      LYS  97   5.093   7.780   7.780
  736   2HE   LYS  97           HE1      LYS  97   5.660   6.318   6.318
  737   1HZ   LYS  97           HZ3      LYS  97   3.018   7.588   7.588
  738   2HZ   LYS  97           HZ2      LYS  97   4.383   7.847   7.847
  739   3HZ   LYS  97           HZ1      LYS  97   3.699   6.297   6.297
  740    H    GLU  98           HN       GLU  98   0.737   1.413   1.413
  741    HA   GLU  98           HA       GLU  98  -0.291   0.083   0.083
  742   1HB   GLU  98           HB2      GLU  98  -1.171  -1.512  -1.512
  743   2HB   GLU  98           HB1      GLU  98  -1.557   0.151   0.151
  744   1HG   GLU  98           HG1      GLU  98   1.040  -0.672  -0.672
  745   2HG   GLU  98           HG2      GLU  98  -0.259  -1.718  -1.718
  746    H    TYR  99           HN       TYR  99   0.442  -2.056  -2.056
  747    HA   TYR  99           HA       TYR  99   3.329  -2.479  -2.479
  748   1HB   TYR  99           HB1      TYR  99   1.304  -3.033  -3.033
  749   2HB   TYR  99           HB2      TYR  99   2.200  -4.503  -4.503
  750    HD1  TYR  99           HD1      TYR  99   2.601  -0.927  -0.927
  751    HD2  TYR  99           HD2      TYR  99   4.427  -4.809  -4.809
  752    HE1  TYR  99           HE1      TYR  99   4.523  -0.099  -0.099
  753    HE2  TYR  99           HE2      TYR  99   6.346  -3.984  -3.984
  754    HH   TYR  99           HH       TYR  99   7.429  -1.667  -1.667
  755    H    THR 100           HN       THR 100   4.186  -4.221  -4.221
  756    HA   THR 100           HA       THR 100   2.273  -5.836  -5.836
  757    HB   THR 100           HB       THR 100   4.605  -6.423  -6.423
  758    HG1  THR 100           HG1      THR 100   6.218  -5.403  -5.403
  759   1HG2  THR 100          HG22      THR 100   2.691  -4.377  -4.377
  760   2HG2  THR 100          HG21      THR 100   4.272  -3.618  -3.618
  761   3HG2  THR 100          HG23      THR 100   3.840  -5.005  -5.005
  762    H    ALA 101           HN       ALA 101   4.891  -6.165  -6.165
  763    HA   ALA 101           HA       ALA 101   5.121  -9.031  -9.031
  764   1HB   ALA 101           HB1      ALA 101   6.736  -7.367  -7.367
  765   2HB   ALA 101           HB3      ALA 101   5.602  -7.105  -7.105
  766   3HB   ALA 101           HB2      ALA 101   6.352  -8.686  -8.686
  767    H    GLY 102           HN       GLY 102   4.740  -9.384  -9.384
  768   1HA   GLY 102           HA2      GLY 102   2.580  -9.052  -9.052
  769   2HA   GLY 102           HA1      GLY 102   1.765  -9.663  -9.663
  770    H    ARG 103           HN       ARG 103   4.508 -10.612 -10.612
  771    HA   ARG 103           HA       ARG 103   3.366 -13.380 -13.380
  772   1HB   ARG 103           HB1      ARG 103   5.356 -12.876 -12.876
  773   2HB   ARG 103           HB2      ARG 103   6.322 -12.790 -12.790
  774   1HG   ARG 103           HG2      ARG 103   6.159 -15.041 -15.041
  775   2HG   ARG 103           HG1      ARG 103   4.514 -15.135 -15.135
  776   1HD   ARG 103           HD2      ARG 103   6.394 -14.440 -14.440
  777   2HD   ARG 103           HD1      ARG 103   6.826 -15.976 -15.976
  778    HE   ARG 103           HE       ARG 103   3.969 -15.568 -15.568
  779   1HH1  ARG 103          HH21      ARG 103   5.872 -18.066 -18.066
  780   2HH1  ARG 103          HH22      ARG 103   5.734 -18.861 -18.861
  781   1HH2  ARG 103          HH11      ARG 103   4.278 -16.142 -16.142
  782   2HH2  ARG 103          HH12      ARG 103   4.833 -17.772 -17.772
  783    H    GLU 104           HN       GLU 104   6.050 -11.490 -11.490
  784    HA   GLU 104           HA       GLU 104   5.020 -12.097 -12.097
  785   1HB   GLU 104           HB1      GLU 104   7.865 -12.536 -12.536
  786   2HB   GLU 104           HB2      GLU 104   7.262 -12.862 -12.862
  787   1HG   GLU 104           HG1      GLU 104   5.486 -14.319 -14.319
  788   2HG   GLU 104           HG2      GLU 104   6.827 -14.384 -14.384
  789    H    ALA 105           HN       ALA 105   6.259 -10.730 -10.730
  790    HA   ALA 105           HA       ALA 105   6.104  -8.009  -8.009
  791   1HB   ALA 105           HB1      ALA 105   7.038  -9.760  -9.760
  792   2HB   ALA 105           HB3      ALA 105   8.512  -8.892  -8.892
  793   3HB   ALA 105           HB2      ALA 105   7.104  -8.006  -8.006
  794    H    ASP 106           HN       ASP 106   9.097  -9.896  -9.896
  795    HA   ASP 106           HA       ASP 106  10.821  -7.840  -7.840
  796   1HB   ASP 106           HB2      ASP 106  10.424 -10.642 -10.642
  797   2HB   ASP 106           HB1      ASP 106  11.818  -9.648  -9.648
  798    H    ASP 107           HN       ASP 107   8.432  -9.478  -9.478
  799    HA   ASP 107           HA       ASP 107   9.059  -8.186  -8.186
  800   1HB   ASP 107           HB1      ASP 107   6.863  -9.687  -9.687
  801   2HB   ASP 107           HB2      ASP 107   6.286  -8.497  -8.497
  802    H    ILE 108           HN       ILE 108   7.577  -6.949  -6.949
  803    HA   ILE 108           HA       ILE 108   6.370  -4.610  -4.610
  804    HB   ILE 108           HB       ILE 108   6.771  -5.206  -5.206
  805   1HG1  ILE 108          HG12      ILE 108   5.677  -7.142  -7.142
  806   2HG1  ILE 108          HG11      ILE 108   4.486  -6.216  -6.216
  807   1HG2  ILE 108          HG22      ILE 108   4.728  -3.558  -3.558
  808   2HG2  ILE 108          HG21      ILE 108   4.722  -3.822  -3.822
  809   3HG2  ILE 108          HG23      ILE 108   6.041  -2.925  -2.925
  810   1HD1  ILE 108          HD12      ILE 108   4.116  -5.003  -5.003
  811   2HD1  ILE 108          HD11      ILE 108   4.804  -6.493  -6.493
  812   3HD1  ILE 108          HD13      ILE 108   3.337  -6.551  -6.551
  813    H    VAL 109           HN       VAL 109   9.023  -5.250  -5.250
  814    HA   VAL 109           HA       VAL 109   9.910  -2.502  -2.502
  815    HB   VAL 109           HB       VAL 109  10.257  -4.415  -4.415
  816   1HG1  VAL 109          HG12      VAL 109  11.083  -6.058  -6.058
  817   2HG1  VAL 109          HG11      VAL 109  12.556  -5.105  -5.105
  818   3HG1  VAL 109          HG13      VAL 109  12.155  -5.864  -5.864
  819   1HG2  VAL 109          HG21      VAL 109  12.475  -2.621  -2.621
  820   2HG2  VAL 109          HG23      VAL 109  11.414  -2.389  -2.389
  821   3HG2  VAL 109          HG22      VAL 109  12.671  -3.627  -3.627
  822    H    ASN 110           HN       ASN 110  10.985  -5.358  -5.358
  823    HA   ASN 110           HA       ASN 110  13.250  -4.337  -4.337
  824   1HB   ASN 110           HB2      ASN 110  11.959  -6.664  -6.664
  825   2HB   ASN 110           HB1      ASN 110  11.273  -6.062  -6.062
  826   1HD2  ASN 110          HD22      ASN 110  14.800  -7.773  -7.773
  827   2HD2  ASN 110          HD21      ASN 110  13.593  -8.099  -8.099
  828    H    TRP 111           HN       TRP 111   9.850  -4.273  -4.273
  829    HA   TRP 111           HA       TRP 111  10.296  -2.785  -2.785
  830   1HB   TRP 111           HB1      TRP 111   8.238  -4.107  -4.107
  831   2HB   TRP 111           HB2      TRP 111   7.799  -2.501  -2.501
  832    HD1  TRP 111           HD1      TRP 111   8.233  -4.530  -4.530
  833    HE1  TRP 111           HE1      TRP 111   7.150  -3.249  -3.249
  834    HE3  TRP 111           HE3      TRP 111   7.145  -0.115  -0.115
  835    HZ2  TRP 111           HZ2      TRP 111   5.975  -0.692  -0.692
  836    HZ3  TRP 111           HZ3      TRP 111   6.044   1.724   1.724
  837    HH2  TRP 111           HH2      TRP 111   5.459   1.441   1.441
  838    H    LEU 112           HN       LEU 112   9.771  -1.807  -1.807
  839    HA   LEU 112           HA       LEU 112   9.490   1.034   1.034
  840   1HB   LEU 112           HB1      LEU 112   9.506  -0.805  -0.805
  841   2HB   LEU 112           HB2      LEU 112  10.239   0.758   0.758
  842    HG   LEU 112           HG       LEU 112   7.663   0.741   0.741
  843   1HD1  LEU 112          HD13      LEU 112   7.653  -0.855  -0.855
  844   2HD1  LEU 112          HD12      LEU 112   7.561   0.674   0.674
  845   3HD1  LEU 112          HD11      LEU 112   6.311   0.250   0.250
  846   1HD2  LEU 112          HD23      LEU 112   9.347   2.596   2.596
  847   2HD2  LEU 112          HD22      LEU 112   7.931   2.935   2.935
  848   3HD2  LEU 112          HD21      LEU 112   7.739   2.589   2.589
  849    H    LYS 113           HN       LYS 113  12.127  -1.047  -1.047
  850    HA   LYS 113           HA       LYS 113  14.031   1.221   1.221
  851   1HB   LYS 113           HB2      LYS 113  13.721  -1.331  -1.331
  852   2HB   LYS 113           HB1      LYS 113  15.335  -1.176  -1.176
  853   1HG   LYS 113           HG2      LYS 113  15.907   0.574   0.574
  854   2HG   LYS 113           HG1      LYS 113  14.266   1.220   1.220
  855   1HD   LYS 113           HD2      LYS 113  13.806  -1.060  -1.060
  856   2HD   LYS 113           HD1      LYS 113  15.514  -0.872  -0.872
  857   1HE   LYS 113           HE2      LYS 113  13.635   1.471   1.471
  858   2HE   LYS 113           HE1      LYS 113  13.763   0.252   0.252
  859   1HZ   LYS 113           HZ3      LYS 113  16.050   1.693   1.693
  860   2HZ   LYS 113           HZ2      LYS 113  15.401   2.024   2.024
  861   3HZ   LYS 113           HZ1      LYS 113  16.159   0.533   0.533
  862    H    LYS 114           HN       LYS 114  12.900   0.164   0.164
  863    HA   LYS 114           HA       LYS 114  15.315  -1.139  -1.139
  864   1HB   LYS 114           HB2      LYS 114  12.421  -1.376  -1.376
  865   2HB   LYS 114           HB1      LYS 114  13.197  -1.140  -1.140
  866   1HG   LYS 114           HG2      LYS 114  14.574  -3.044  -3.044
  867   2HG   LYS 114           HG1      LYS 114  12.982  -3.563  -3.563
  868   1HD   LYS 114           HD2      LYS 114  15.076  -2.484  -2.484
  869   2HD   LYS 114           HD1      LYS 114  14.961  -4.199  -4.199
  870   1HE   LYS 114           HE2      LYS 114  13.143  -4.484  -4.484
  871   2HE   LYS 114           HE1      LYS 114  12.366  -3.013  -3.013
  872   1HZ   LYS 114           HZ1      LYS 114  14.667  -3.030  -3.030
  873   2HZ   LYS 114           HZ3      LYS 114  13.053  -2.818  -2.818
  874   3HZ   LYS 114           HZ2      LYS 114  13.799  -1.670  -1.670
  875    H    ARG 115           HN       ARG 115  13.223   1.690   1.690
  876    HA   ARG 115           HA       ARG 115  15.052   2.833   2.833
  877   1HB   ARG 115           HB2      ARG 115  12.043   3.092   3.092
  878   2HB   ARG 115           HB1      ARG 115  13.013   3.924   3.924
  879   1HG   ARG 115           HG2      ARG 115  13.869   1.528   1.528
  880   2HG   ARG 115           HG1      ARG 115  12.421   0.985   0.985
  881   1HD   ARG 115           HD2      ARG 115  10.971   2.050   2.050
  882   2HD   ARG 115           HD1      ARG 115  12.262   3.099   3.099
  883    HE   ARG 115           HE       ARG 115  12.386   0.131   0.131
  884   1HH1  ARG 115          HH21      ARG 115  14.606   0.698   0.698
  885   2HH1  ARG 115          HH22      ARG 115  14.219   1.435   1.435
  886   1HH2  ARG 115          HH11      ARG 115  10.974   2.239   2.239
  887   2HH2  ARG 115          HH12      ARG 115  12.163   2.307   2.307
  888    H    THR 116           HN       THR 116  13.896   3.154   3.154
  889    HA   THR 116           HA       THR 116  14.478   6.096   6.096
  890    HB   THR 116           HB       THR 116  12.836   5.826   5.826
  891    HG1  THR 116           HG1      THR 116  12.580   3.583   3.583
  892   1HG2  THR 116          HG21      THR 116  12.565   7.319   7.319
  893   2HG2  THR 116          HG23      THR 116  11.858   5.966   5.966
  894   3HG2  THR 116          HG22      THR 116  11.042   6.614   6.614
  895    H    GLY 117           HN       GLY 117  16.110   3.554   3.554
  896   1HA   GLY 117           HA1      GLY 117  16.694   4.035   4.035
  897   2HA   GLY 117           HA2      GLY 117  17.295   2.677   2.677
  898    HA   PRO 118           HA       PRO 118  20.593   5.940   5.940
  899   1HB   PRO 118           HB2      PRO 118  22.580   4.275   4.275
  900   2HB   PRO 118           HB1      PRO 118  21.479   5.134   5.134
  901   1HG   PRO 118           HG2      PRO 118  21.425   2.298   2.298
  902   2HG   PRO 118           HG1      PRO 118  21.058   2.974   2.974
  903   1HD   PRO 118           HD2      PRO 118  19.145   2.210   2.210
  904   2HD   PRO 118           HD1      PRO 118  18.899   3.480   3.480
  905    H    ALA 119           HN       ALA 119  19.948   5.319   5.319
  906    HA   ALA 119           HA       ALA 119  20.692   4.689   4.689
  907   1HB   ALA 119           HB2      ALA 119  22.848   5.663   5.663
  908   2HB   ALA 119           HB1      ALA 119  23.472   4.388   4.388
  909   3HB   ALA 119           HB3      ALA 119  22.661   5.786   5.786
  910    H    ALA 120           HN       ALA 120  19.938   2.530   2.530
  911    HA   ALA 120           HA       ALA 120  21.860   0.358   0.358
  912   1HB   ALA 120           HB3      ALA 120  20.704   0.984   0.984
  913   2HB   ALA 120           HB2      ALA 120  19.408  -0.018  -0.018
  914   3HB   ALA 120           HB1      ALA 120  21.023  -0.694  -0.694

  Start of MODEL   29
    1   1H    ASP   1           HT2      ASP   1  -9.796  12.822  12.822
    2   2H    ASP   1           HT1      ASP   1 -11.112  12.862  12.862
    3   3H    ASP   1           HT3      ASP   1  -9.540  13.138  13.138
    4    HA   ASP   1           HA       ASP   1 -10.263  10.894  10.894
    5   1HB   ASP   1           HB2      ASP   1 -11.873  10.804  10.804
    6   2HB   ASP   1           HB1      ASP   1 -10.825   9.387   9.387
    7    H    ALA   2           HN       ALA   2  -8.847   8.869   8.869
    8    HA   ALA   2           HA       ALA   2  -6.143   9.837   9.837
    9   1HB   ALA   2           HB2      ALA   2  -7.073   7.975   7.975
   10   2HB   ALA   2           HB1      ALA   2  -5.396   8.001   8.001
   11   3HB   ALA   2           HB3      ALA   2  -6.116   9.447   9.447
   12    HA   PRO   3           HA       PRO   3  -6.308   6.580   6.580
   13   1HB   PRO   3           HB1      PRO   3  -3.638   6.090   6.090
   14   2HB   PRO   3           HB2      PRO   3  -4.449   7.533   7.533
   15   1HG   PRO   3           HG2      PRO   3  -2.752   7.222   7.222
   16   2HG   PRO   3           HG1      PRO   3  -2.840   8.565   8.565
   17   1HD   PRO   3           HD1      PRO   3  -4.035   8.584   8.584
   18   2HD   PRO   3           HD2      PRO   3  -4.603   9.538   9.538
   19    H    GLU   4           HN       GLU   4  -5.529   4.247   4.247
   20    HA   GLU   4           HA       GLU   4  -4.900   2.955   2.955
   21   1HB   GLU   4           HB1      GLU   4  -7.348   2.983   2.983
   22   2HB   GLU   4           HB2      GLU   4  -6.668   1.588   1.588
   23   1HG   GLU   4           HG2      GLU   4  -7.581   1.802   1.802
   24   2HG   GLU   4           HG1      GLU   4  -7.140   0.360   0.360
   25    H    GLU   5           HN       GLU   5  -4.099   0.647   0.647
   26    HA   GLU   5           HA       GLU   5  -3.073  -0.108  -0.108
   27   1HB   GLU   5           HB2      GLU   5  -0.668   0.174   0.174
   28   2HB   GLU   5           HB1      GLU   5  -1.530   1.694   1.694
   29   1HG   GLU   5           HG2      GLU   5  -1.985   0.936   0.936
   30   2HG   GLU   5           HG1      GLU   5  -0.278   0.609   0.609
   31    H    GLU   6           HN       GLU   6  -1.260  -1.875  -1.875
   32    HA   GLU   6           HA       GLU   6  -2.282  -3.614  -3.614
   33   1HB   GLU   6           HB2      GLU   6  -1.686  -4.017  -4.017
   34   2HB   GLU   6           HB1      GLU   6  -1.201  -5.334  -5.334
   35   1HG   GLU   6           HG2      GLU   6  -3.871  -4.264  -4.264
   36   2HG   GLU   6           HG1      GLU   6  -3.747  -4.967  -4.967
   37    H    ASP   7           HN       ASP   7   0.531  -4.401  -4.401
   38    HA   ASP   7           HA       ASP   7   2.209  -4.339  -4.339
   39   1HB   ASP   7           HB1      ASP   7   3.489  -5.365  -5.365
   40   2HB   ASP   7           HB2      ASP   7   1.864  -6.038  -6.038
   41    H    HIS   8           HN       HIS   8   3.057  -3.791  -3.791
   42    HA   HIS   8           HA       HIS   8   4.198  -1.124  -1.124
   43   1HB   HIS   8           HB2      HIS   8   5.456  -3.347  -3.347
   44   2HB   HIS   8           HB1      HIS   8   6.164  -1.751  -1.751
   45    HD1  HIS   8           HD1      HIS   8   5.754  -1.283  -1.283
   46    HD2  HIS   8           HD2      HIS   8   6.919  -4.988  -4.988
   47    HE1  HIS   8           HE1      HIS   8   6.870  -2.519  -2.519
   48    H    VAL   9           HN       VAL   9   1.713  -2.083  -2.083
   49    HA   VAL   9           HA       VAL   9   2.180  -0.845  -0.845
   50    HB   VAL   9           HB       VAL   9   0.046  -2.833  -2.833
   51   1HG1  VAL   9          HG11      VAL   9   0.384  -1.249  -1.249
   52   2HG1  VAL   9          HG13      VAL   9   0.874  -2.878  -2.878
   53   3HG1  VAL   9          HG12      VAL   9  -0.732  -2.600  -2.600
   54   1HG2  VAL   9          HG21      VAL   9   2.289  -3.835  -3.835
   55   2HG2  VAL   9          HG23      VAL   9   1.442  -4.561  -4.561
   56   3HG2  VAL   9          HG22      VAL   9   2.706  -3.364  -3.364
   57    H    LEU  10           HN       LEU  10   0.398   0.563   0.563
   58    HA   LEU  10           HA       LEU  10  -1.246   1.610   1.610
   59   1HB   LEU  10           HB1      LEU  10   0.629   2.831   2.831
   60   2HB   LEU  10           HB2      LEU  10  -0.937   3.352   3.352
   61    HG   LEU  10           HG       LEU  10  -0.073   4.885   4.885
   62   1HD1  LEU  10          HD22      LEU  10  -2.632   3.731   3.731
   63   2HD1  LEU  10          HD21      LEU  10  -2.306   3.812   3.812
   64   3HD1  LEU  10          HD23      LEU  10  -2.230   5.275   5.275
   65   1HD2  LEU  10          HD12      LEU  10   0.586   2.445   2.445
   66   2HD2  LEU  10          HD11      LEU  10   0.839   4.079   4.079
   67   3HD2  LEU  10          HD13      LEU  10  -0.649   3.212   3.212
   68    H    VAL  11           HN       VAL  11  -3.438   1.739   1.739
   69    HA   VAL  11           HA       VAL  11  -4.585   0.630   0.630
   70    HB   VAL  11           HB       VAL  11  -6.679   0.645   0.645
   71   1HG1  VAL  11          HG13      VAL  11  -5.157  -1.301  -1.301
   72   2HG1  VAL  11          HG12      VAL  11  -4.245  -0.576  -0.576
   73   3HG1  VAL  11          HG11      VAL  11  -5.917  -1.079  -1.079
   74   1HG2  VAL  11          HG23      VAL  11  -5.244   2.558   2.558
   75   2HG2  VAL  11          HG22      VAL  11  -6.824   1.879   1.879
   76   3HG2  VAL  11          HG21      VAL  11  -5.358   1.144   1.144
   77    H    LEU  12           HN       LEU  12  -5.893   1.890   1.890
   78    HA   LEU  12           HA       LEU  12  -5.814   4.834   4.834
   79   1HB   LEU  12           HB2      LEU  12  -5.964   3.088   3.088
   80   2HB   LEU  12           HB1      LEU  12  -6.274   4.821   4.821
   81    HG   LEU  12           HG       LEU  12  -3.742   3.516   3.516
   82   1HD1  LEU  12          HD22      LEU  12  -4.424   4.988   4.988
   83   2HD1  LEU  12          HD21      LEU  12  -2.765   4.737   4.737
   84   3HD1  LEU  12          HD23      LEU  12  -3.788   3.352   3.352
   85   1HD2  LEU  12          HD12      LEU  12  -4.887   6.155   6.155
   86   2HD2  LEU  12          HD11      LEU  12  -3.424   5.471   5.471
   87   3HD2  LEU  12          HD13      LEU  12  -3.356   6.253   6.253
   88    H    ARG  13           HN       ARG  13  -7.737   6.011   6.011
   89    HA   ARG  13           HA       ARG  13 -10.268   4.641   4.641
   90   1HB   ARG  13           HB2      ARG  13  -9.450   4.790   4.790
   91   2HB   ARG  13           HB1      ARG  13 -10.280   6.341   6.341
   92   1HG   ARG  13           HG2      ARG  13 -12.139   4.844   4.844
   93   2HG   ARG  13           HG1      ARG  13 -11.386   3.569   3.569
   94   1HD   ARG  13           HD1      ARG  13 -11.680   4.977   4.977
   95   2HD   ARG  13           HD2      ARG  13 -12.539   6.175   6.175
   96    HE   ARG  13           HE       ARG  13 -13.974   4.033   4.033
   97   1HH1  ARG  13          HH21      ARG  13 -12.879   2.268   2.268
   98   2HH1  ARG  13          HH22      ARG  13 -13.934   2.542   2.542
   99   1HH2  ARG  13          HH11      ARG  13 -15.223   5.499   5.499
  100   2HH2  ARG  13          HH12      ARG  13 -15.259   4.371   4.371
  101    H    LYS  14           HN       LYS  14 -11.974   6.143   6.143
  102    HA   LYS  14           HA       LYS  14 -11.476   8.288   8.288
  103   1HB   LYS  14           HB2      LYS  14 -13.784   8.919   8.919
  104   2HB   LYS  14           HB1      LYS  14 -13.626   7.171   7.171
  105   1HG   LYS  14           HG1      LYS  14 -13.287   7.301   7.301
  106   2HG   LYS  14           HG2      LYS  14 -13.837   8.972   8.972
  107   1HD   LYS  14           HD2      LYS  14 -15.975   8.304   8.304
  108   2HD   LYS  14           HD1      LYS  14 -15.426   6.650   6.650
  109   1HE   LYS  14           HE2      LYS  14 -16.168   6.132   6.132
  110   2HE   LYS  14           HE1      LYS  14 -14.942   7.229   7.229
  111   1HZ   LYS  14           HZ2      LYS  14 -17.594   8.080   8.080
  112   2HZ   LYS  14           HZ1      LYS  14 -17.217   7.900   7.900
  113   3HZ   LYS  14           HZ3      LYS  14 -16.425   9.080   9.080
  114    H    SER  15           HN       SER  15 -11.787   8.445   8.445
  115    HA   SER  15           HA       SER  15 -11.511  11.360  11.360
  116   1HB   SER  15           HB1      SER  15 -12.964  10.421  10.421
  117   2HB   SER  15           HB2      SER  15 -11.840   9.117   9.117
  118    HG   SER  15           HG       SER  15 -11.886  10.783  10.783
  119    H    ASN  16           HN       ASN  16  -9.234   8.961   8.961
  120    HA   ASN  16           HA       ASN  16  -7.125  10.763  10.763
  121   1HB   ASN  16           HB1      ASN  16  -6.162   9.059   9.059
  122   2HB   ASN  16           HB2      ASN  16  -7.770   9.585   9.585
  123   1HD2  ASN  16          HD22      ASN  16  -7.796   5.870   5.870
  124   2HD2  ASN  16          HD21      ASN  16  -6.992   7.111   7.111
  125    H    PHE  17           HN       PHE  17  -8.065   9.070   9.070
  126    HA   PHE  17           HA       PHE  17  -5.958   7.182   7.182
  127   1HB   PHE  17           HB1      PHE  17  -8.202   7.352   7.352
  128   2HB   PHE  17           HB2      PHE  17  -7.639   8.814   8.814
  129    HD1  PHE  17           HD2      PHE  17  -5.479   8.650   8.650
  130    HD2  PHE  17           HD1      PHE  17  -7.710   5.225   5.225
  131    HE1  PHE  17           HE2      PHE  17  -4.383   7.263   7.263
  132    HE2  PHE  17           HE1      PHE  17  -6.615   3.840   3.840
  133    HZ   PHE  17           HZ       PHE  17  -4.951   4.858   4.858
  134    H    ALA  18           HN       ALA  18  -6.457  10.311  10.311
  135    HA   ALA  18           HA       ALA  18  -3.827  10.566  10.566
  136   1HB   ALA  18           HB1      ALA  18  -5.923  12.602  12.602
  137   2HB   ALA  18           HB3      ALA  18  -4.488  13.004  13.004
  138   3HB   ALA  18           HB2      ALA  18  -5.694  11.898  11.898
  139    H    GLU  19           HN       GLU  19  -5.139  11.222  11.222
  140    HA   GLU  19           HA       GLU  19  -3.222  12.989  12.989
  141   1HB   GLU  19           HB1      GLU  19  -5.360  12.123  12.123
  142   2HB   GLU  19           HB2      GLU  19  -4.531  10.602  10.602
  143   1HG   GLU  19           HG2      GLU  19  -3.812  11.501  11.501
  144   2HG   GLU  19           HG1      GLU  19  -2.807  12.590  12.590
  145    H    ALA  20           HN       ALA  20  -3.209   9.415   9.415
  146    HA   ALA  20           HA       ALA  20  -0.631   9.139   9.139
  147   1HB   ALA  20           HB2      ALA  20  -2.702   7.529   7.529
  148   2HB   ALA  20           HB1      ALA  20  -1.387   7.088   7.088
  149   3HB   ALA  20           HB3      ALA  20  -1.172   6.943   6.943
  150    H    LEU  21           HN       LEU  21  -1.575   9.797   9.797
  151    HA   LEU  21           HA       LEU  21   0.917   9.051   9.051
  152   1HB   LEU  21           HB1      LEU  21  -1.022  11.204  11.204
  153   2HB   LEU  21           HB2      LEU  21   0.017  10.212  10.212
  154    HG   LEU  21           HG       LEU  21  -2.475   9.373   9.373
  155   1HD1  LEU  21          HD22      LEU  21  -2.323  10.344  10.344
  156   2HD1  LEU  21          HD21      LEU  21  -1.753   8.721   8.721
  157   3HD1  LEU  21          HD23      LEU  21  -3.348   8.946   8.946
  158   1HD2  LEU  21          HD13      LEU  21  -0.647   7.691   7.691
  159   2HD2  LEU  21          HD12      LEU  21  -2.002   7.065   7.065
  160   3HD2  LEU  21          HD11      LEU  21  -0.503   7.532   7.532
  161    H    ALA  22           HN       ALA  22  -0.384  12.244  12.244
  162    HA   ALA  22           HA       ALA  22   1.964  13.757  13.757
  163   1HB   ALA  22           HB1      ALA  22  -0.395  14.554  14.554
  164   2HB   ALA  22           HB3      ALA  22  -0.118  14.238  14.238
  165   3HB   ALA  22           HB2      ALA  22   0.840  15.459  15.459
  166    H    ALA  23           HN       ALA  23   1.046  11.815  11.815
  167    HA   ALA  23           HA       ALA  23   2.795  12.787  12.787
  168   1HB   ALA  23           HB1      ALA  23   1.914   9.975   9.975
  169   2HB   ALA  23           HB3      ALA  23   2.691  10.394  10.394
  170   3HB   ALA  23           HB2      ALA  23   1.117  11.078  11.078
  171    H    HIS  24           HN       HIS  24   3.533   9.855   9.855
  172    HA   HIS  24           HA       HIS  24   6.433  10.527  10.527
  173   1HB   HIS  24           HB1      HIS  24   4.742   8.129   8.129
  174   2HB   HIS  24           HB2      HIS  24   6.153   7.993   7.993
  175    HD1  HIS  24           HD1      HIS  24   5.838   9.755   9.755
  176    HD2  HIS  24           HD2      HIS  24   7.979   6.646   6.646
  177    HE1  HIS  24           HE1      HIS  24   7.534   8.987   8.987
  178    H    LYS  25           HN       LYS  25   7.671   9.621   9.621
  179    HA   LYS  25           HA       LYS  25   6.751  11.208  11.208
  180   1HB   LYS  25           HB1      LYS  25   9.134  10.779  10.779
  181   2HB   LYS  25           HB2      LYS  25   8.961   9.137   9.137
  182   1HG   LYS  25           HG2      LYS  25   9.556   9.928   9.928
  183   2HG   LYS  25           HG1      LYS  25   8.025  10.802  10.802
  184   1HD   LYS  25           HD2      LYS  25   9.302  12.675  12.675
  185   2HD   LYS  25           HD1      LYS  25   9.584  12.402  12.402
  186   1HE   LYS  25           HE2      LYS  25  11.336  10.755  10.755
  187   2HE   LYS  25           HE1      LYS  25  11.566  12.494  12.494
  188   1HZ   LYS  25           HZ1      LYS  25  11.338  11.304  11.304
  189   2HZ   LYS  25           HZ3      LYS  25  12.831  11.538  11.538
  190   3HZ   LYS  25           HZ2      LYS  25  11.845  12.874  12.874
  191    H    TYR  26           HN       TYR  26   7.640   7.727   7.727
  192    HA   TYR  26           HA       TYR  26   5.731   7.254   7.254
  193   1HB   TYR  26           HB1      TYR  26   7.949   5.734   5.734
  194   2HB   TYR  26           HB2      TYR  26   6.875   4.934   4.934
  195    HD1  TYR  26           HD2      TYR  26   6.377   6.993   6.993
  196    HD2  TYR  26           HD1      TYR  26  10.006   6.035   6.035
  197    HE1  TYR  26           HE2      TYR  26   7.700   7.933   7.933
  198    HE2  TYR  26           HE1      TYR  26  11.330   6.975   6.975
  199    HH   TYR  26           HH       TYR  26  10.712   7.305   7.305
  200    H    LEU  27           HN       LEU  27   3.738   6.373   6.373
  201    HA   LEU  27           HA       LEU  27   3.276   4.914   4.914
  202   1HB   LEU  27           HB2      LEU  27   2.343   7.443   7.443
  203   2HB   LEU  27           HB1      LEU  27   0.975   6.372   6.372
  204    HG   LEU  27           HG       LEU  27   0.971   7.272   7.272
  205   1HD1  LEU  27          HD23      LEU  27   1.543   4.300   4.300
  206   2HD1  LEU  27          HD22      LEU  27   0.716   5.098   5.098
  207   3HD1  LEU  27          HD21      LEU  27  -0.024   5.067   5.067
  208   1HD2  LEU  27          HD12      LEU  27   3.586   7.237   7.237
  209   2HD2  LEU  27          HD11      LEU  27   2.719   6.888   6.888
  210   3HD2  LEU  27          HD13      LEU  27   3.389   5.567   5.567
  211    H    LEU  28           HN       LEU  28   2.868   2.823   2.823
  212    HA   LEU  28           HA       LEU  28   1.605   2.279   2.279
  213   1HB   LEU  28           HB2      LEU  28   3.543   1.024   1.024
  214   2HB   LEU  28           HB1      LEU  28   2.285   0.304   0.304
  215    HG   LEU  28           HG       LEU  28   1.106  -0.303  -0.303
  216   1HD1  LEU  28          HD12      LEU  28   2.816   1.296   1.296
  217   2HD1  LEU  28          HD11      LEU  28   3.847  -0.137  -0.137
  218   3HD1  LEU  28          HD13      LEU  28   2.276  -0.187  -0.187
  219   1HD2  LEU  28          HD21      LEU  28   2.451  -1.835  -1.835
  220   2HD2  LEU  28          HD23      LEU  28   2.285  -2.374  -2.374
  221   3HD2  LEU  28          HD22      LEU  28   3.791  -1.630  -1.630
  222    H    VAL  29           HN       VAL  29  -0.392   1.023   1.023
  223    HA   VAL  29           HA       VAL  29  -2.074   0.979   0.979
  224    HB   VAL  29           HB       VAL  29  -2.861   2.112   2.112
  225   1HG1  VAL  29          HG23      VAL  29  -4.295   1.696   1.696
  226   2HG1  VAL  29          HG22      VAL  29  -4.787   2.991   2.991
  227   3HG1  VAL  29          HG21      VAL  29  -4.843   1.314   1.314
  228   1HG2  VAL  29          HG11      VAL  29  -2.174   3.458   3.458
  229   2HG2  VAL  29          HG13      VAL  29  -1.283   3.595   3.595
  230   3HG2  VAL  29          HG12      VAL  29  -2.901   4.282   4.282
  231    H    GLU  30           HN       GLU  30  -3.374  -0.833  -0.833
  232    HA   GLU  30           HA       GLU  30  -3.519  -2.579  -2.579
  233   1HB   GLU  30           HB1      GLU  30  -2.010  -3.485  -3.485
  234   2HB   GLU  30           HB2      GLU  30  -3.220  -3.247  -3.247
  235   1HG   GLU  30           HG2      GLU  30  -4.659  -4.920  -4.920
  236   2HG   GLU  30           HG1      GLU  30  -3.683  -5.015  -5.015
  237    H    PHE  31           HN       PHE  31  -5.614  -2.835  -2.835
  238    HA   PHE  31           HA       PHE  31  -7.815  -2.190  -2.190
  239   1HB   PHE  31           HB1      PHE  31  -7.402  -2.277  -2.277
  240   2HB   PHE  31           HB2      PHE  31  -9.042  -2.379  -2.379
  241    HD1  PHE  31           HD2      PHE  31  -5.995  -0.292  -0.292
  242    HD2  PHE  31           HD1      PHE  31 -10.088  -0.481  -0.481
  243    HE1  PHE  31           HE2      PHE  31  -5.993   2.160   2.160
  244    HE2  PHE  31           HE1      PHE  31 -10.087   1.974   1.974
  245    HZ   PHE  31           HZ       PHE  31  -8.040   3.295   3.295
  246    H    TYR  32           HN       TYR  32  -8.535  -4.005  -4.005
  247    HA   TYR  32           HA       TYR  32  -9.247  -6.385  -6.385
  248   1HB   TYR  32           HB1      TYR  32  -8.086  -7.852  -7.852
  249   2HB   TYR  32           HB2      TYR  32  -6.956  -6.689  -6.689
  250    HD1  TYR  32           HD2      TYR  32  -6.494  -4.530  -4.530
  251    HD2  TYR  32           HD1      TYR  32  -8.417  -7.989  -7.989
  252    HE1  TYR  32           HE2      TYR  32  -5.972  -3.721  -3.721
  253    HE2  TYR  32           HE1      TYR  32  -7.894  -7.178  -7.178
  254    HH   TYR  32           HH       TYR  32  -7.433  -4.697  -4.697
  255    H    ALA  33           HN       ALA  33 -10.085  -8.065  -8.065
  256    HA   ALA  33           HA       ALA  33 -11.943  -6.542  -6.542
  257   1HB   ALA  33           HB3      ALA  33 -12.765  -7.366  -7.366
  258   2HB   ALA  33           HB2      ALA  33 -12.940  -8.902  -8.902
  259   3HB   ALA  33           HB1      ALA  33 -13.822  -7.481  -7.481
  260    HA   PRO  34           HA       PRO  34 -10.946  -9.713  -9.713
  261   1HB   PRO  34           HB1      PRO  34 -13.319 -10.074 -10.074
  262   2HB   PRO  34           HB2      PRO  34 -12.281  -8.655  -8.655
  263   1HG   PRO  34           HG2      PRO  34 -14.737  -8.961  -8.961
  264   2HG   PRO  34           HG1      PRO  34 -14.235  -7.606  -7.606
  265   1HD   PRO  34           HD2      PRO  34 -13.955  -7.584  -7.584
  266   2HD   PRO  34           HD1      PRO  34 -12.846  -6.729  -6.729
  267    H    TRP  35           HN       TRP  35 -13.461 -10.198 -10.198
  268    HA   TRP  35           HA       TRP  35 -13.652 -13.104 -13.104
  269   1HB   TRP  35           HB2      TRP  35 -15.502 -12.978 -12.978
  270   2HB   TRP  35           HB1      TRP  35 -15.701 -11.791 -11.791
  271    HD1  TRP  35           HD1      TRP  35 -15.778  -9.305  -9.305
  272    HE1  TRP  35           HE1      TRP  35 -15.562  -8.015  -8.015
  273    HE3  TRP  35           HE3      TRP  35 -14.202 -13.078 -13.078
  274    HZ2  TRP  35           HZ2      TRP  35 -14.820  -8.517  -8.517
  275    HZ3  TRP  35           HZ3      TRP  35 -13.749 -12.644 -12.644
  276    HH2  TRP  35           HH2      TRP  35 -14.056 -10.370 -10.370
  277    H    CYS  36           HN       CYS  36 -11.947 -10.944 -10.944
  278    HA   CYS  36           HA       CYS  36 -11.684 -12.348 -12.348
  279   1HB   CYS  36           HB2      CYS  36 -10.761 -10.122 -10.122
  280   2HB   CYS  36           HB1      CYS  36  -9.616 -10.839 -10.839
  281    H    GLY  37           HN       GLY  37 -10.074 -13.915 -13.915
  282   1HA   GLY  37           HA2      GLY  37  -9.113 -15.662 -15.662
  283   2HA   GLY  37           HA1      GLY  37  -9.504 -16.242 -16.242
  284    H    HIS  38           HN       HIS  38  -8.168 -14.132 -14.132
  285    HA   HIS  38           HA       HIS  38  -5.399 -15.123 -15.123
  286   1HB   HIS  38           HB2      HIS  38  -6.777 -13.209 -13.209
  287   2HB   HIS  38           HB1      HIS  38  -5.159 -13.875 -13.875
  288    HD1  HIS  38           HD1      HIS  38  -5.713 -16.792 -16.792
  289    HD2  HIS  38           HD2      HIS  38  -8.158 -14.653 -14.653
  290    HE1  HIS  38           HE1      HIS  38  -6.987 -18.510 -18.510
  291    H    CYS  39           HN       CYS  39  -6.918 -12.891 -12.891
  292    HA   CYS  39           HA       CYS  39  -4.881 -10.737 -10.737
  293   1HB   CYS  39           HB2      CYS  39  -7.460 -10.997 -10.997
  294   2HB   CYS  39           HB1      CYS  39  -6.465  -9.542  -9.542
  295    H    LYS  40           HN       LYS  40  -5.699 -13.446 -13.446
  296    HA   LYS  40           HA       LYS  40  -4.191 -12.444 -12.444
  297   1HB   LYS  40           HB2      LYS  40  -5.763 -14.925 -14.925
  298   2HB   LYS  40           HB1      LYS  40  -4.843 -14.820 -14.820
  299   1HG   LYS  40           HG2      LYS  40  -6.734 -13.888 -13.888
  300   2HG   LYS  40           HG1      LYS  40  -6.187 -12.430 -12.430
  301   1HD   LYS  40           HD2      LYS  40  -7.439 -13.826 -13.826
  302   2HD   LYS  40           HD1      LYS  40  -8.446 -14.205 -14.205
  303   1HE   LYS  40           HE2      LYS  40  -7.601 -11.366 -11.366
  304   2HE   LYS  40           HE1      LYS  40  -9.105 -12.081 -12.081
  305   1HZ   LYS  40           HZ1      LYS  40  -9.482 -12.798 -12.798
  306   2HZ   LYS  40           HZ3      LYS  40  -8.288 -11.666 -11.666
  307   3HZ   LYS  40           HZ2      LYS  40  -9.713 -11.153 -11.153
  308    H    ALA  41           HN       ALA  41  -3.719 -14.462 -14.462
  309    HA   ALA  41           HA       ALA  41  -1.622 -16.164 -16.164
  310   1HB   ALA  41           HB2      ALA  41  -2.792 -16.155 -16.155
  311   2HB   ALA  41           HB1      ALA  41  -2.034 -14.616 -14.616
  312   3HB   ALA  41           HB3      ALA  41  -1.046 -16.068 -16.068
  313    H    LEU  42           HN       LEU  42  -1.462 -12.740 -12.740
  314    HA   LEU  42           HA       LEU  42   1.441 -12.720 -12.720
  315   1HB   LEU  42           HB2      LEU  42   0.488 -12.085 -12.085
  316   2HB   LEU  42           HB1      LEU  42  -0.052 -10.604 -10.604
  317    HG   LEU  42           HG       LEU  42   2.343 -10.326 -10.326
  318   1HD1  LEU  42          HD13      LEU  42   2.670 -12.630 -12.630
  319   2HD1  LEU  42          HD12      LEU  42   4.007 -11.548 -11.548
  320   3HD1  LEU  42          HD11      LEU  42   3.250 -12.507 -12.507
  321   1HD2  LEU  42          HD23      LEU  42   1.302 -10.016 -10.016
  322   2HD2  LEU  42          HD22      LEU  42   2.056  -8.823  -8.823
  323   3HD2  LEU  42          HD21      LEU  42   3.059  -9.941  -9.941
  324    H    ALA  43           HN       ALA  43  -0.683 -12.571 -12.571
  325    HA   ALA  43           HA       ALA  43  -1.076  -9.789  -9.789
  326   1HB   ALA  43           HB1      ALA  43  -1.822 -12.490 -12.490
  327   2HB   ALA  43           HB3      ALA  43  -1.526 -11.413 -11.413
  328   3HB   ALA  43           HB2      ALA  43  -2.726 -10.984 -10.984
  329    HA   PRO  44           HA       PRO  44   2.229 -10.763 -10.763
  330   1HB   PRO  44           HB2      PRO  44   3.562 -13.148 -13.148
  331   2HB   PRO  44           HB1      PRO  44   2.046 -12.925 -12.925
  332   1HG   PRO  44           HG2      PRO  44   2.528 -14.179 -14.179
  333   2HG   PRO  44           HG1      PRO  44   1.362 -14.611 -14.611
  334   1HD   PRO  44           HD1      PRO  44   0.744 -13.220 -13.220
  335   2HD   PRO  44           HD2      PRO  44  -0.213 -13.180 -13.180
  336    H    GLU  45           HN       GLU  45   2.592 -11.288 -11.288
  337    HA   GLU  45           HA       GLU  45   5.541 -10.990 -10.990
  338   1HB   GLU  45           HB2      GLU  45   3.447 -11.315 -11.315
  339   2HB   GLU  45           HB1      GLU  45   5.187 -11.314 -11.314
  340   1HG   GLU  45           HG2      GLU  45   5.053 -13.557 -13.557
  341   2HG   GLU  45           HG1      GLU  45   4.922 -13.171 -13.171
  342    H    TYR  46           HN       TYR  46   2.575  -9.261  -9.261
  343    HA   TYR  46           HA       TYR  46   3.932  -6.942  -6.942
  344   1HB   TYR  46           HB2      TYR  46   1.819  -7.171  -7.171
  345   2HB   TYR  46           HB1      TYR  46   1.204  -7.971  -7.971
  346    HD1  TYR  46           HD1      TYR  46   0.362  -6.684  -6.684
  347    HD2  TYR  46           HD2      TYR  46   1.708  -4.733  -4.733
  348    HE1  TYR  46           HE1      TYR  46  -0.773  -4.599  -4.599
  349    HE2  TYR  46           HE2      TYR  46   0.574  -2.650  -2.650
  350    HH   TYR  46           HH       TYR  46  -0.144  -1.644  -1.644
  351    H    ALA  47           HN       ALA  47   3.071  -8.045  -8.045
  352    HA   ALA  47           HA       ALA  47   3.156  -5.362  -5.362
  353   1HB   ALA  47           HB3      ALA  47   2.958  -8.202  -8.202
  354   2HB   ALA  47           HB2      ALA  47   2.959  -6.791  -6.791
  355   3HB   ALA  47           HB1      ALA  47   1.662  -7.012  -7.012
  356    H    LYS  48           HN       LYS  48   5.356  -7.991  -7.991
  357    HA   LYS  48           HA       LYS  48   7.379  -7.191  -7.191
  358   1HB   LYS  48           HB2      LYS  48   6.815  -9.319  -9.319
  359   2HB   LYS  48           HB1      LYS  48   8.462  -8.743  -8.743
  360   1HG   LYS  48           HG2      LYS  48   8.511 -10.487 -10.487
  361   2HG   LYS  48           HG1      LYS  48   8.870  -8.941  -8.941
  362   1HD   LYS  48           HD2      LYS  48   6.181  -8.948  -8.948
  363   2HD   LYS  48           HD1      LYS  48   6.481 -10.685 -10.685
  364   1HE   LYS  48           HE2      LYS  48   8.455  -9.396  -9.396
  365   2HE   LYS  48           HE1      LYS  48   6.842  -8.844  -8.844
  366   1HZ   LYS  48           HZ2      LYS  48   6.181 -11.277 -11.277
  367   2HZ   LYS  48           HZ1      LYS  48   7.845 -11.617 -11.617
  368   3HZ   LYS  48           HZ3      LYS  48   7.106 -10.868 -10.868
  369    H    ALA  49           HN       ALA  49   6.586  -6.433  -6.433
  370    HA   ALA  49           HA       ALA  49   9.107  -5.329  -5.329
  371   1HB   ALA  49           HB2      ALA  49   6.219  -4.920  -4.920
  372   2HB   ALA  49           HB1      ALA  49   7.549  -4.128  -4.128
  373   3HB   ALA  49           HB3      ALA  49   7.443  -5.889  -5.889
  374    H    ALA  50           HN       ALA  50   6.522  -4.125  -4.125
  375    HA   ALA  50           HA       ALA  50   7.152  -1.302  -1.302
  376   1HB   ALA  50           HB2      ALA  50   5.155  -2.905  -2.905
  377   2HB   ALA  50           HB1      ALA  50   5.942  -2.268  -2.268
  378   3HB   ALA  50           HB3      ALA  50   5.285  -1.163  -1.163
  379    H    GLY  51           HN       GLY  51   8.240  -3.952  -3.952
  380   1HA   GLY  51           HA2      GLY  51   9.626  -2.271  -2.271
  381   2HA   GLY  51           HA1      GLY  51   9.865  -4.008  -4.008
  382    H    LYS  52           HN       LYS  52  10.433  -3.678  -3.678
  383    HA   LYS  52           HA       LYS  52  13.260  -3.533  -3.533
  384   1HB   LYS  52           HB2      LYS  52  11.169  -3.120  -3.120
  385   2HB   LYS  52           HB1      LYS  52  12.895  -3.182  -3.182
  386   1HG   LYS  52           HG2      LYS  52  11.631  -5.366  -5.366
  387   2HG   LYS  52           HG1      LYS  52  11.489  -5.389  -5.389
  388   1HD   LYS  52           HD2      LYS  52  13.660  -5.978  -5.978
  389   2HD   LYS  52           HD1      LYS  52  14.209  -4.798  -4.798
  390   1HE   LYS  52           HE2      LYS  52  13.370  -6.376  -6.376
  391   2HE   LYS  52           HE1      LYS  52  13.147  -7.589  -7.589
  392   1HZ   LYS  52           HZ2      LYS  52  15.470  -7.171  -7.171
  393   2HZ   LYS  52           HZ1      LYS  52  15.664  -6.160  -6.160
  394   3HZ   LYS  52           HZ3      LYS  52  15.351  -7.812  -7.812
  395    H    LEU  53           HN       LEU  53  10.876  -0.994  -0.994
  396    HA   LEU  53           HA       LEU  53  12.926   1.042   1.042
  397   1HB   LEU  53           HB2      LEU  53   9.995   1.534   1.534
  398   2HB   LEU  53           HB1      LEU  53  11.076   2.438   2.438
  399    HG   LEU  53           HG       LEU  53  10.074  -0.381  -0.381
  400   1HD1  LEU  53          HD21      LEU  53   9.110   2.295   2.295
  401   2HD1  LEU  53          HD23      LEU  53   9.305   1.215   1.215
  402   3HD1  LEU  53          HD22      LEU  53   8.264   0.748   0.748
  403   1HD2  LEU  53          HD13      LEU  53  12.442   0.759   0.759
  404   2HD2  LEU  53          HD12      LEU  53  11.600  -0.573  -0.573
  405   3HD2  LEU  53          HD11      LEU  53  11.334   1.085   1.085
  406    H    LYS  54           HN       LYS  54  10.493   0.346   0.346
  407    HA   LYS  54           HA       LYS  54  10.913   2.452   2.452
  408   1HB   LYS  54           HB2      LYS  54   9.513   0.104   0.104
  409   2HB   LYS  54           HB1      LYS  54  10.687  -0.246  -0.246
  410   1HG   LYS  54           HG2      LYS  54   9.393   2.424   2.424
  411   2HG   LYS  54           HG1      LYS  54   8.355   1.040   1.040
  412   1HD   LYS  54           HD2      LYS  54  10.612   0.396   0.396
  413   2HD   LYS  54           HD1      LYS  54  10.590   2.153   2.153
  414   1HE   LYS  54           HE2      LYS  54   7.930   0.965   0.965
  415   2HE   LYS  54           HE1      LYS  54   9.108   0.414   0.414
  416   1HZ   LYS  54           HZ2      LYS  54   8.695   3.249   3.249
  417   2HZ   LYS  54           HZ1      LYS  54   8.059   2.541   2.541
  418   3HZ   LYS  54           HZ3      LYS  54   9.739   2.681   2.681
  419    H    ALA  55           HN       ALA  55  12.725  -0.643  -0.643
  420    HA   ALA  55           HA       ALA  55  14.533   0.066   0.066
  421   1HB   ALA  55           HB3      ALA  55  13.931  -2.230  -2.230
  422   2HB   ALA  55           HB2      ALA  55  14.913  -1.886  -1.886
  423   3HB   ALA  55           HB1      ALA  55  15.666  -1.964  -1.964
  424    H    GLU  56           HN       GLU  56  14.439   0.821   0.821
  425    HA   GLU  56           HA       GLU  56  17.298   1.650   1.650
  426   1HB   GLU  56           HB2      GLU  56  15.119   1.314   1.314
  427   2HB   GLU  56           HB1      GLU  56  16.683   2.029   2.029
  428   1HG   GLU  56           HG2      GLU  56  16.592  -0.599  -0.599
  429   2HG   GLU  56           HG1      GLU  56  16.319  -0.565  -0.565
  430    H    GLY  57           HN       GLY  57  14.160   3.003   3.003
  431   1HA   GLY  57           HA1      GLY  57  13.546   5.238   5.238
  432   2HA   GLY  57           HA2      GLY  57  15.252   5.674   5.674
  433    H    SER  58           HN       SER  58  13.341   4.000   4.000
  434    HA   SER  58           HA       SER  58  14.179   5.970   5.970
  435   1HB   SER  58           HB2      SER  58  13.255   3.247   3.247
  436   2HB   SER  58           HB1      SER  58  12.264   4.122   4.122
  437    HG   SER  58           HG       SER  58  14.390   3.128   3.128
  438    H    GLU  59           HN       GLU  59  12.572   7.069   7.069
  439    HA   GLU  59           HA       GLU  59  10.310   8.122   8.122
  440   1HB   GLU  59           HB2      GLU  59  10.234   9.732   9.732
  441   2HB   GLU  59           HB1      GLU  59  11.876   9.565   9.565
  442   1HG   GLU  59           HG2      GLU  59  11.987   9.485   9.485
  443   2HG   GLU  59           HG1      GLU  59  12.288   7.855   7.855
  444    H    ILE  60           HN       ILE  60  10.495   5.327   5.327
  445    HA   ILE  60           HA       ILE  60   8.069   5.642   5.642
  446    HB   ILE  60           HB       ILE  60   9.885   3.254   3.254
  447   1HG1  ILE  60          HG12      ILE  60  10.431   4.301   4.301
  448   2HG1  ILE  60          HG11      ILE  60  10.272   5.741   5.741
  449   1HG2  ILE  60          HG22      ILE  60   7.591   3.893   3.893
  450   2HG2  ILE  60          HG21      ILE  60   8.925   2.974   2.974
  451   3HG2  ILE  60          HG23      ILE  60   8.068   2.350   2.350
  452   1HD1  ILE  60          HD13      ILE  60  11.796   3.602   3.602
  453   2HD1  ILE  60          HD12      ILE  60  12.542   4.165   4.165
  454   3HD1  ILE  60          HD11      ILE  60  12.200   5.308   5.308
  455    H    ARG  61           HN       ARG  61   6.418   3.822   3.822
  456    HA   ARG  61           HA       ARG  61   6.276   2.407   2.407
  457   1HB   ARG  61           HB2      ARG  61   5.070   5.084   5.084
  458   2HB   ARG  61           HB1      ARG  61   4.026   3.893   3.893
  459   1HG   ARG  61           HG1      ARG  61   6.516   3.562   3.562
  460   2HG   ARG  61           HG2      ARG  61   6.318   5.308   5.308
  461   1HD   ARG  61           HD2      ARG  61   4.580   5.356   5.356
  462   2HD   ARG  61           HD1      ARG  61   3.900   3.830   3.830
  463    HE   ARG  61           HE       ARG  61   6.460   3.698   3.698
  464   1HH1  ARG  61          HH11      ARG  61   3.126   3.887   3.887
  465   2HH1  ARG  61          HH12      ARG  61   3.038   2.478   2.478
  466   1HH2  ARG  61          HH21      ARG  61   6.335   1.555   1.555
  467   2HH2  ARG  61          HH22      ARG  61   4.854   1.159   1.159
  468    H    LEU  62           HN       LEU  62   4.187   1.204   1.204
  469    HA   LEU  62           HA       LEU  62   2.932   0.748   0.748
  470   1HB   LEU  62           HB2      LEU  62   3.409  -1.147  -1.147
  471   2HB   LEU  62           HB1      LEU  62   2.687  -1.589  -1.589
  472    HG   LEU  62           HG       LEU  62   5.336  -0.213  -0.213
  473   1HD1  LEU  62          HD22      LEU  62   5.240  -2.136  -2.136
  474   2HD1  LEU  62          HD21      LEU  62   5.268  -3.187  -3.187
  475   3HD1  LEU  62          HD23      LEU  62   6.590  -2.054  -2.054
  476   1HD2  LEU  62          HD13      LEU  62   4.118  -0.854  -0.854
  477   2HD2  LEU  62          HD12      LEU  62   5.643  -1.727  -1.727
  478   3HD2  LEU  62          HD11      LEU  62   4.125  -2.536  -2.536
  479    H    ALA  63           HN       ALA  63   0.615   0.225   0.225
  480    HA   ALA  63           HA       ALA  63  -0.777   0.684   0.684
  481   1HB   ALA  63           HB3      ALA  63  -0.238   2.824   2.824
  482   2HB   ALA  63           HB2      ALA  63  -1.675   2.288   2.288
  483   3HB   ALA  63           HB1      ALA  63  -1.778   2.675   2.675
  484    H    LYS  64           HN       LYS  64  -2.991  -0.031  -0.031
  485    HA   LYS  64           HA       LYS  64  -3.736  -1.663  -1.663
  486   1HB   LYS  64           HB1      LYS  64  -3.180  -2.373  -2.373
  487   2HB   LYS  64           HB2      LYS  64  -4.876  -2.717  -2.717
  488   1HG   LYS  64           HG2      LYS  64  -4.195  -3.973  -3.973
  489   2HG   LYS  64           HG1      LYS  64  -2.505  -3.662  -3.662
  490   1HD   LYS  64           HD2      LYS  64  -2.889  -4.792  -4.792
  491   2HD   LYS  64           HD1      LYS  64  -4.492  -5.252  -5.252
  492   1HE   LYS  64           HE1      LYS  64  -2.294  -5.890  -5.890
  493   2HE   LYS  64           HE2      LYS  64  -2.265  -6.799  -6.799
  494   1HZ   LYS  64           HZ1      LYS  64  -4.643  -7.261  -7.261
  495   2HZ   LYS  64           HZ3      LYS  64  -4.608  -6.462  -6.462
  496   3HZ   LYS  64           HZ2      LYS  64  -3.715  -7.891  -7.891
  497    H    VAL  65           HN       VAL  65  -6.158  -2.128  -2.128
  498    HA   VAL  65           HA       VAL  65  -7.798  -0.030  -0.030
  499    HB   VAL  65           HB       VAL  65  -7.542  -0.566  -0.566
  500   1HG1  VAL  65          HG13      VAL  65  -9.793   0.543   0.543
  501   2HG1  VAL  65          HG12      VAL  65  -9.307   1.507   1.507
  502   3HG1  VAL  65          HG11      VAL  65  -9.795  -0.172  -0.172
  503   1HG2  VAL  65          HG21      VAL  65  -5.913   1.000   1.000
  504   2HG2  VAL  65          HG23      VAL  65  -6.950   1.792   1.792
  505   3HG2  VAL  65          HG22      VAL  65  -7.274   1.985   1.985
  506    H    ASP  66           HN       ASP  66 -10.039  -0.631  -0.631
  507    HA   ASP  66           HA       ASP  66 -10.537  -3.543  -3.543
  508   1HB   ASP  66           HB1      ASP  66 -11.431  -1.496  -1.496
  509   2HB   ASP  66           HB2      ASP  66 -12.443  -2.909  -2.909
  510    H    ALA  67           HN       ALA  67 -11.353  -3.445  -3.445
  511    HA   ALA  67           HA       ALA  67 -12.990  -1.515  -1.515
  512   1HB   ALA  67           HB1      ALA  67 -11.952  -3.925  -3.925
  513   2HB   ALA  67           HB3      ALA  67 -13.649  -4.372  -4.372
  514   3HB   ALA  67           HB2      ALA  67 -13.183  -3.112  -3.112
  515    H    THR  68           HN       THR  68 -13.833  -3.879  -3.879
  516    HA   THR  68           HA       THR  68 -16.740  -3.405  -3.405
  517    HB   THR  68           HB       THR  68 -15.876  -5.671  -5.671
  518    HG1  THR  68           HG1      THR  68 -17.188  -6.155  -6.155
  519   1HG2  THR  68          HG22      THR  68 -14.519  -4.283  -4.283
  520   2HG2  THR  68          HG21      THR  68 -14.984  -5.972  -5.972
  521   3HG2  THR  68          HG23      THR  68 -13.888  -5.510  -5.510
  522    H    GLU  69           HN       GLU  69 -14.443  -1.531  -1.531
  523    HA   GLU  69           HA       GLU  69 -16.143  -0.731  -0.731
  524   1HB   GLU  69           HB1      GLU  69 -13.923  -1.995  -1.995
  525   2HB   GLU  69           HB2      GLU  69 -13.131  -0.514  -0.514
  526   1HG   GLU  69           HG1      GLU  69 -15.273  -0.447  -0.447
  527   2HG   GLU  69           HG2      GLU  69 -13.591  -0.779  -0.779
  528    H    GLU  70           HN       GLU  70 -13.355   0.448   0.448
  529    HA   GLU  70           HA       GLU  70 -14.680   3.137   3.137
  530   1HB   GLU  70           HB1      GLU  70 -12.406   4.002   4.002
  531   2HB   GLU  70           HB2      GLU  70 -12.463   2.866   2.866
  532   1HG   GLU  70           HG2      GLU  70 -11.464   2.277   2.277
  533   2HG   GLU  70           HG1      GLU  70 -10.478   2.410   2.410
  534    H    SER  71           HN       SER  71 -15.564   1.201   1.201
  535    HA   SER  71           HA       SER  71 -14.264   1.093   1.093
  536   1HB   SER  71           HB2      SER  71 -16.663   0.295   0.295
  537   2HB   SER  71           HB1      SER  71 -17.170   1.347   1.347
  538    HG   SER  71           HG       SER  71 -16.859  -0.870  -0.870
  539    H    ASP  72           HN       ASP  72 -15.828   3.775   3.775
  540    HA   ASP  72           HA       ASP  72 -16.832   5.358   5.358
  541   1HB   ASP  72           HB2      ASP  72 -15.732   5.657   5.657
  542   2HB   ASP  72           HB1      ASP  72 -15.300   7.047   7.047
  543    H    LEU  73           HN       LEU  73 -13.470   4.517   4.517
  544    HA   LEU  73           HA       LEU  73 -12.544   6.524   6.524
  545   1HB   LEU  73           HB1      LEU  73 -10.892   4.537   4.537
  546   2HB   LEU  73           HB2      LEU  73 -10.364   6.064   6.064
  547    HG   LEU  73           HG       LEU  73 -12.332   5.765   5.765
  548   1HD1  LEU  73          HD21      LEU  73  -9.458   5.793   5.793
  549   2HD1  LEU  73          HD23      LEU  73 -10.021   7.264   7.264
  550   3HD1  LEU  73          HD22      LEU  73 -10.507   5.686   5.686
  551   1HD2  LEU  73          HD11      LEU  73 -12.346   7.794   7.794
  552   2HD2  LEU  73          HD13      LEU  73 -12.630   8.046   8.046
  553   3HD2  LEU  73          HD12      LEU  73 -11.034   8.350   8.350
  554    H    ALA  74           HN       ALA  74 -12.719   3.043   3.043
  555    HA   ALA  74           HA       ALA  74 -11.271   2.090   2.090
  556   1HB   ALA  74           HB2      ALA  74 -13.169   1.177   1.177
  557   2HB   ALA  74           HB1      ALA  74 -13.493   0.405   0.405
  558   3HB   ALA  74           HB3      ALA  74 -11.898   0.261   0.261
  559    H    GLN  75           HN       GLN  75 -14.847   2.376   2.376
  560    HA   GLN  75           HA       GLN  75 -15.407   1.993   1.993
  561   1HB   GLN  75           HB2      GLN  75 -16.684   3.107   3.107
  562   2HB   GLN  75           HB1      GLN  75 -17.299   3.804   3.804
  563   1HG   GLN  75           HG1      GLN  75 -17.313   1.252   1.252
  564   2HG   GLN  75           HG2      GLN  75 -17.435   0.982   0.982
  565   1HE2  GLN  75          HE22      GLN  75 -20.687   2.521   2.521
  566   2HE2  GLN  75          HE21      GLN  75 -19.261   2.252   2.252
  567    H    GLN  76           HN       GLN  76 -14.213   4.810   4.810
  568    HA   GLN  76           HA       GLN  76 -14.759   6.845   6.845
  569   1HB   GLN  76           HB2      GLN  76 -13.687   6.717   6.717
  570   2HB   GLN  76           HB1      GLN  76 -12.195   6.815   6.815
  571   1HG   GLN  76           HG2      GLN  76 -13.118   8.838   8.838
  572   2HG   GLN  76           HG1      GLN  76 -14.515   8.768   8.768
  573   1HE2  GLN  76          HE22      GLN  76 -12.800  10.639  10.639
  574   2HE2  GLN  76          HE21      GLN  76 -14.258  10.305  10.305
  575    H    TYR  77           HN       TYR  77 -12.118   4.498   4.498
  576    HA   TYR  77           HA       TYR  77 -10.735   5.577   5.577
  577   1HB   TYR  77           HB2      TYR  77 -10.301   3.500   3.500
  578   2HB   TYR  77           HB1      TYR  77  -9.408   3.338   3.338
  579    HD1  TYR  77           HD2      TYR  77  -8.216   5.508   5.508
  580    HD2  TYR  77           HD1      TYR  77  -9.479   4.910   4.910
  581    HE1  TYR  77           HE2      TYR  77  -6.624   7.255   7.255
  582    HE2  TYR  77           HE1      TYR  77  -7.888   6.656   6.656
  583    HH   TYR  77           HH       TYR  77  -6.750   8.867   8.867
  584    H    GLY  78           HN       GLY  78 -12.200   2.449   2.449
  585   1HA   GLY  78           HA1      GLY  78 -13.868   1.517   1.517
  586   2HA   GLY  78           HA2      GLY  78 -12.699   1.961   1.961
  587    H    VAL  79           HN       VAL  79 -12.866   0.055   0.055
  588    HA   VAL  79           HA       VAL  79 -11.311  -2.081  -2.081
  589    HB   VAL  79           HB       VAL  79  -9.835  -0.514  -0.514
  590   1HG1  VAL  79          HG23      VAL  79 -11.877  -0.545  -0.545
  591   2HG1  VAL  79          HG22      VAL  79 -10.675  -1.599  -1.599
  592   3HG1  VAL  79          HG21      VAL  79 -10.246   0.053   0.053
  593   1HG2  VAL  79          HG11      VAL  79 -10.139  -3.411  -3.411
  594   2HG2  VAL  79          HG13      VAL  79  -8.854  -2.606  -2.606
  595   3HG2  VAL  79          HG12      VAL  79  -8.936  -2.445  -2.445
  596    H    ARG  80           HN       ARG  80 -12.197  -4.075  -4.075
  597    HA   ARG  80           HA       ARG  80 -14.012  -4.359  -4.359
  598   1HB   ARG  80           HB1      ARG  80 -15.500  -4.373  -4.373
  599   2HB   ARG  80           HB2      ARG  80 -14.277  -4.893  -4.893
  600   1HG   ARG  80           HG2      ARG  80 -15.941  -6.660  -6.660
  601   2HG   ARG  80           HG1      ARG  80 -14.383  -7.179  -7.179
  602   1HD   ARG  80           HD2      ARG  80 -15.759  -7.765  -7.765
  603   2HD   ARG  80           HD1      ARG  80 -15.384  -6.092  -6.092
  604    HE   ARG  80           HE       ARG  80 -17.694  -6.406  -6.406
  605   1HH1  ARG  80          HH11      ARG  80 -18.197  -4.079  -4.079
  606   2HH1  ARG  80          HH12      ARG  80 -18.938  -4.403  -4.403
  607   1HH2  ARG  80          HH21      ARG  80 -17.917  -7.716  -7.716
  608   2HH2  ARG  80          HH22      ARG  80 -18.780  -6.461  -6.461
  609    H    GLY  81           HN       GLY  81 -11.754  -5.966  -5.966
  610   1HA   GLY  81           HA2      GLY  81 -11.716  -8.462  -8.462
  611   2HA   GLY  81           HA1      GLY  81 -10.583  -8.001  -8.001
  612    H    TYR  82           HN       TYR  82 -10.416  -9.011  -9.011
  613    HA   TYR  82           HA       TYR  82  -8.399  -6.971  -6.971
  614   1HB   TYR  82           HB2      TYR  82 -10.012  -8.963  -8.963
  615   2HB   TYR  82           HB1      TYR  82  -8.982  -7.689  -7.689
  616    HD1  TYR  82           HD1      TYR  82  -9.768  -5.601  -5.601
  617    HD2  TYR  82           HD2      TYR  82 -12.093  -8.181  -8.181
  618    HE1  TYR  82           HE1      TYR  82 -11.660  -4.004  -4.004
  619    HE2  TYR  82           HE2      TYR  82 -13.984  -6.582  -6.582
  620    HH   TYR  82           HH       TYR  82 -13.685  -3.451  -3.451
  621    HA   PRO  83           HA       PRO  83  -7.165  -6.955  -6.955
  622   1HB   PRO  83           HB1      PRO  83  -4.505  -6.886  -6.886
  623   2HB   PRO  83           HB2      PRO  83  -5.684  -7.818  -7.818
  624   1HG   PRO  83           HG2      PRO  83  -3.597  -8.747  -8.747
  625   2HG   PRO  83           HG1      PRO  83  -4.463  -9.631  -9.631
  626   1HD   PRO  83           HD1      PRO  83  -4.918  -9.662  -9.662
  627   2HD   PRO  83           HD2      PRO  83  -5.745 -10.600 -10.600
  628    H    THR  84           HN       THR  84  -6.688  -4.884  -4.884
  629    HA   THR  84           HA       THR  84  -5.137  -4.814  -4.814
  630    HB   THR  84           HB       THR  84  -7.021  -2.728  -2.728
  631    HG1  THR  84           HG1      THR  84  -8.156  -4.650  -4.650
  632   1HG2  THR  84          HG23      THR  84  -5.377  -2.476  -2.476
  633   2HG2  THR  84          HG22      THR  84  -6.661  -3.359  -3.359
  634   3HG2  THR  84          HG21      THR  84  -7.011  -1.814  -1.814
  635    H    ILE  85           HN       ILE  85  -3.019  -4.383  -4.383
  636    HA   ILE  85           HA       ILE  85  -2.359  -2.640  -2.640
  637    HB   ILE  85           HB       ILE  85  -0.625  -3.776  -3.776
  638   1HG1  ILE  85          HG12      ILE  85  -1.913  -5.574  -5.574
  639   2HG1  ILE  85          HG11      ILE  85  -0.238  -5.656  -5.656
  640   1HG2  ILE  85          HG21      ILE  85   0.389  -2.008  -2.008
  641   2HG2  ILE  85          HG23      ILE  85   0.039  -3.011  -3.011
  642   3HG2  ILE  85          HG22      ILE  85   1.172  -3.578  -3.578
  643   1HD1  ILE  85          HD13      ILE  85  -0.891  -4.364  -4.364
  644   2HD1  ILE  85          HD12      ILE  85  -2.572  -4.453  -4.453
  645   3HD1  ILE  85          HD11      ILE  85  -1.698  -5.928  -5.928
  646    H    LYS  86           HN       LYS  86  -1.829  -0.496  -0.496
  647    HA   LYS  86           HA       LYS  86  -1.465   0.800   0.800
  648   1HB   LYS  86           HB2      LYS  86  -3.493   1.150   1.150
  649   2HB   LYS  86           HB1      LYS  86  -2.653   2.663   2.663
  650   1HG   LYS  86           HG1      LYS  86  -4.385   2.660   2.660
  651   2HG   LYS  86           HG2      LYS  86  -3.015   2.025   2.025
  652   1HD   LYS  86           HD2      LYS  86  -3.786  -0.284  -0.284
  653   2HD   LYS  86           HD1      LYS  86  -5.179   0.376   0.376
  654   1HE   LYS  86           HE1      LYS  86  -5.998  -0.076  -0.076
  655   2HE   LYS  86           HE2      LYS  86  -5.659   1.666   1.666
  656   1HZ   LYS  86           HZ3      LYS  86  -3.742  -0.457  -0.457
  657   2HZ   LYS  86           HZ2      LYS  86  -4.642   0.498   0.498
  658   3HZ   LYS  86           HZ1      LYS  86  -3.474   1.215   1.215
  659    H    PHE  87           HN       PHE  87   0.265   2.246   2.246
  660    HA   PHE  87           HA       PHE  87   1.733   2.664   2.664
  661   1HB   PHE  87           HB2      PHE  87   2.912   1.335   1.335
  662   2HB   PHE  87           HB1      PHE  87   2.600   2.540   2.540
  663    HD1  PHE  87           HD1      PHE  87   3.503   3.480   3.480
  664    HD2  PHE  87           HD2      PHE  87   4.934   2.894   2.894
  665    HE1  PHE  87           HE1      PHE  87   5.618   4.639   4.639
  666    HE2  PHE  87           HE2      PHE  87   7.045   4.050   4.050
  667    HZ   PHE  87           HZ       PHE  87   7.389   4.917   4.917
  668    H    PHE  88           HN       PHE  88   1.480   4.720   4.720
  669    HA   PHE  88           HA       PHE  88   0.862   6.926   6.926
  670   1HB   PHE  88           HB1      PHE  88   0.607   6.441   6.441
  671   2HB   PHE  88           HB2      PHE  88   0.463   8.068   8.068
  672    HD1  PHE  88           HD1      PHE  88  -0.995   4.675   4.675
  673    HD2  PHE  88           HD2      PHE  88  -1.436   8.721   8.721
  674    HE1  PHE  88           HE1      PHE  88  -3.334   4.193   4.193
  675    HE2  PHE  88           HE2      PHE  88  -3.777   8.242   8.242
  676    HZ   PHE  88           HZ       PHE  88  -4.728   5.987   5.987
  677    H    ARG  89           HN       ARG  89   2.001   9.009   9.009
  678    HA   ARG  89           HA       ARG  89   4.756   8.690   8.690
  679   1HB   ARG  89           HB2      ARG  89   4.808   8.448   8.448
  680   2HB   ARG  89           HB1      ARG  89   3.872   9.929   9.929
  681   1HG   ARG  89           HG2      ARG  89   6.025  10.692  10.692
  682   2HG   ARG  89           HG1      ARG  89   6.738   9.601   9.601
  683   1HD   ARG  89           HD2      ARG  89   4.793  11.627  11.627
  684   2HD   ARG  89           HD1      ARG  89   6.403  12.204  12.204
  685    HE   ARG  89           HE       ARG  89   7.114  10.058  10.058
  686   1HH1  ARG  89          HH11      ARG  89   4.548   9.748   9.748
  687   2HH1  ARG  89          HH12      ARG  89   4.685  10.796  10.796
  688   1HH2  ARG  89          HH21      ARG  89   7.365  12.575  12.575
  689   2HH2  ARG  89          HH22      ARG  89   6.280  12.397  12.397
  690    H    ASN  90           HN       ASN  90   4.479  10.016  10.016
  691    HA   ASN  90           HA       ASN  90   4.082  11.988  11.988
  692   1HB   ASN  90           HB2      ASN  90   5.971  12.510  12.510
  693   2HB   ASN  90           HB1      ASN  90   4.782  13.208  13.208
  694   1HD2  ASN  90          HD22      ASN  90   6.098  15.386  15.386
  695   2HD2  ASN  90          HD21      ASN  90   6.777  13.887  13.887
  696    H    GLY  91           HN       GLY  91   1.643  11.084  11.084
  697   1HA   GLY  91           HA1      GLY  91  -0.591  11.684  11.684
  698   2HA   GLY  91           HA2      GLY  91  -0.049  13.334  13.334
  699    H    ASP  92           HN       ASP  92   0.241  10.863  10.863
  700    HA   ASP  92           HA       ASP  92   0.372  12.938  12.938
  701   1HB   ASP  92           HB2      ASP  92   1.661  10.788  10.788
  702   2HB   ASP  92           HB1      ASP  92   0.137   9.914   9.914
  703    H    THR  93           HN       THR  93  -1.951  10.495  10.495
  704    HA   THR  93           HA       THR  93  -4.216  10.120  10.120
  705    HB   THR  93           HB       THR  93  -5.514  12.158  12.158
  706    HG1  THR  93           HG1      THR  93  -3.165  13.689  13.689
  707   1HG2  THR  93          HG21      THR  93  -4.342  11.327  11.327
  708   2HG2  THR  93          HG23      THR  93  -2.960  12.351  12.351
  709   3HG2  THR  93          HG22      THR  93  -4.508  13.084  13.084
  710    H    ALA  94           HN       ALA  94  -5.983  11.369  11.369
  711    HA   ALA  94           HA       ALA  94  -6.621  11.704  11.704
  712   1HB   ALA  94           HB3      ALA  94  -4.101  12.905  12.905
  713   2HB   ALA  94           HB2      ALA  94  -3.962  11.941  11.941
  714   3HB   ALA  94           HB1      ALA  94  -5.224  13.166  13.166
  715    H    SER  95           HN       SER  95  -3.502   9.976   9.976
  716    HA   SER  95           HA       SER  95  -4.790   7.520   7.520
  717   1HB   SER  95           HB2      SER  95  -3.269   9.453   9.453
  718   2HB   SER  95           HB1      SER  95  -3.146   7.728   7.728
  719    HG   SER  95           HG       SER  95  -4.915   8.990   8.990
  720    HA   PRO  96           HA       PRO  96  -0.965   6.725   6.725
  721   1HB   PRO  96           HB1      PRO  96  -1.823   4.372   4.372
  722   2HB   PRO  96           HB2      PRO  96  -2.222   5.959   5.959
  723   1HG   PRO  96           HG2      PRO  96  -3.876   4.141   4.141
  724   2HG   PRO  96           HG1      PRO  96  -4.357   5.172   5.172
  725   1HD   PRO  96           HD2      PRO  96  -4.772   5.807   5.807
  726   2HD   PRO  96           HD1      PRO  96  -4.641   7.004   7.004
  727    H    LYS  97           HN       LYS  97   0.636   4.973   4.973
  728    HA   LYS  97           HA       LYS  97   0.570   3.771   3.771
  729   1HB   LYS  97           HB2      LYS  97   2.469   4.146   4.146
  730   2HB   LYS  97           HB1      LYS  97   2.814   2.832   2.832
  731   1HG   LYS  97           HG2      LYS  97   2.150   5.593   5.593
  732   2HG   LYS  97           HG1      LYS  97   3.796   5.182   5.182
  733   1HD   LYS  97           HD2      LYS  97   3.693   3.214   3.214
  734   2HD   LYS  97           HD1      LYS  97   2.128   3.803   3.803
  735   1HE   LYS  97           HE2      LYS  97   3.134   5.882   5.882
  736   2HE   LYS  97           HE1      LYS  97   4.706   5.410   5.410
  737   1HZ   LYS  97           HZ2      LYS  97   4.561   3.363   3.363
  738   2HZ   LYS  97           HZ1      LYS  97   3.181   4.001   4.001
  739   3HZ   LYS  97           HZ3      LYS  97   4.676   4.782   4.782
  740    H    GLU  98           HN       GLU  98   1.339   1.361   1.361
  741    HA   GLU  98           HA       GLU  98  -0.310  -0.220  -0.220
  742   1HB   GLU  98           HB2      GLU  98  -0.597  -1.774  -1.774
  743   2HB   GLU  98           HB1      GLU  98  -1.147  -0.148  -0.148
  744   1HG   GLU  98           HG2      GLU  98   0.796   0.312   0.312
  745   2HG   GLU  98           HG1      GLU  98   1.667  -1.064  -1.064
  746    H    TYR  99           HN       TYR  99   0.603  -2.164  -2.164
  747    HA   TYR  99           HA       TYR  99   3.570  -2.359  -2.359
  748   1HB   TYR  99           HB2      TYR  99   2.808  -2.087  -2.087
  749   2HB   TYR  99           HB1      TYR  99   1.507  -3.253  -3.253
  750    HD1  TYR  99           HD2      TYR  99   5.215  -3.239  -3.239
  751    HD2  TYR  99           HD1      TYR  99   1.856  -5.240  -5.240
  752    HE1  TYR  99           HE2      TYR  99   6.716  -5.041  -5.041
  753    HE2  TYR  99           HE1      TYR  99   3.359  -7.045  -7.045
  754    HH   TYR  99           HH       TYR  99   6.749  -7.173  -7.173
  755    H    THR 100           HN       THR 100   4.495  -4.198  -4.198
  756    HA   THR 100           HA       THR 100   2.653  -6.233  -6.233
  757    HB   THR 100           HB       THR 100   4.607  -6.760  -6.760
  758    HG1  THR 100           HG1      THR 100   5.998  -4.761  -4.761
  759   1HG2  THR 100          HG21      THR 100   3.211  -4.798  -4.798
  760   2HG2  THR 100          HG23      THR 100   4.288  -3.764  -3.764
  761   3HG2  THR 100          HG22      THR 100   4.891  -4.594  -4.594
  762    H    ALA 101           HN       ALA 101   4.420  -8.396  -8.396
  763    HA   ALA 101           HA       ALA 101   5.071 -10.268 -10.268
  764   1HB   ALA 101           HB3      ALA 101   6.683  -8.146  -8.146
  765   2HB   ALA 101           HB2      ALA 101   6.088  -8.414  -8.414
  766   3HB   ALA 101           HB1      ALA 101   6.928  -9.708  -9.708
  767    H    GLY 102           HN       GLY 102   5.323 -10.115 -10.115
  768   1HA   GLY 102           HA2      GLY 102   3.608  -9.515  -9.515
  769   2HA   GLY 102           HA1      GLY 102   2.401 -10.117 -10.117
  770    H    ARG 103           HN       ARG 103   5.506 -11.267 -11.267
  771    HA   ARG 103           HA       ARG 103   4.190 -13.928 -13.928
  772   1HB   ARG 103           HB2      ARG 103   6.353 -13.193 -13.193
  773   2HB   ARG 103           HB1      ARG 103   7.099 -13.928 -13.928
  774   1HG   ARG 103           HG2      ARG 103   5.587 -15.893 -15.893
  775   2HG   ARG 103           HG1      ARG 103   4.935 -15.165 -15.165
  776   1HD   ARG 103           HD2      ARG 103   6.804 -15.669 -15.669
  777   2HD   ARG 103           HD1      ARG 103   7.902 -15.388 -15.388
  778    HE   ARG 103           HE       ARG 103   6.600 -17.924 -17.924
  779   1HH1  ARG 103          HH21      ARG 103   5.720 -18.564 -18.564
  780   2HH1  ARG 103          HH22      ARG 103   7.036 -18.703 -18.703
  781   1HH2  ARG 103          HH11      ARG 103   9.265 -16.954 -16.954
  782   2HH2  ARG 103          HH12      ARG 103   9.042 -17.791 -17.791
  783    H    GLU 104           HN       GLU 104   6.342 -11.449 -11.449
  784    HA   GLU 104           HA       GLU 104   5.833 -12.298 -12.298
  785   1HB   GLU 104           HB2      GLU 104   8.218 -12.953 -12.953
  786   2HB   GLU 104           HB1      GLU 104   7.396 -14.038 -14.038
  787   1HG   GLU 104           HG1      GLU 104   8.351 -12.598 -12.598
  788   2HG   GLU 104           HG2      GLU 104   9.368 -11.839 -11.839
  789    H    ALA 105           HN       ALA 105   7.064 -10.890 -10.890
  790    HA   ALA 105           HA       ALA 105   6.944  -8.161  -8.161
  791   1HB   ALA 105           HB3      ALA 105   7.724  -9.844  -9.844
  792   2HB   ALA 105           HB2      ALA 105   9.230  -9.004  -9.004
  793   3HB   ALA 105           HB1      ALA 105   7.795  -8.083  -8.083
  794    H    ASP 106           HN       ASP 106   9.597 -10.347 -10.347
  795    HA   ASP 106           HA       ASP 106  11.542  -8.312  -8.312
  796   1HB   ASP 106           HB1      ASP 106  12.195 -10.466 -10.466
  797   2HB   ASP 106           HB2      ASP 106  11.119 -11.214 -11.214
  798    H    ASP 107           HN       ASP 107   8.899  -9.732  -9.732
  799    HA   ASP 107           HA       ASP 107   9.789  -8.759  -8.759
  800   1HB   ASP 107           HB2      ASP 107   7.383 -10.006 -10.006
  801   2HB   ASP 107           HB1      ASP 107   7.126  -9.128  -9.128
  802    H    ILE 108           HN       ILE 108   7.966  -7.389  -7.389
  803    HA   ILE 108           HA       ILE 108   6.880  -5.161  -5.161
  804    HB   ILE 108           HB       ILE 108   7.096  -5.699  -5.699
  805   1HG1  ILE 108          HG12      ILE 108   4.846  -6.178  -6.178
  806   2HG1  ILE 108          HG11      ILE 108   5.830  -7.429  -7.429
  807   1HG2  ILE 108          HG22      ILE 108   6.713  -3.309  -3.309
  808   2HG2  ILE 108          HG21      ILE 108   5.310  -3.784  -3.784
  809   3HG2  ILE 108          HG23      ILE 108   5.310  -4.034  -4.034
  810   1HD1  ILE 108          HD13      ILE 108   4.121  -5.439  -5.439
  811   2HD1  ILE 108          HD12      ILE 108   3.626  -7.090  -7.090
  812   3HD1  ILE 108          HD11      ILE 108   5.005  -6.804  -6.804
  813    H    VAL 109           HN       VAL 109   9.496  -5.585  -5.585
  814    HA   VAL 109           HA       VAL 109  10.294  -2.858  -2.858
  815    HB   VAL 109           HB       VAL 109  11.894  -5.430  -5.430
  816   1HG1  VAL 109          HG22      VAL 109  12.599  -2.611  -2.611
  817   2HG1  VAL 109          HG21      VAL 109  12.913  -3.525  -3.525
  818   3HG1  VAL 109          HG23      VAL 109  13.651  -4.026  -4.026
  819   1HG2  VAL 109          HG11      VAL 109   9.871  -4.134  -4.134
  820   2HG2  VAL 109          HG13      VAL 109  10.527  -5.769  -5.769
  821   3HG2  VAL 109          HG12      VAL 109  11.382  -4.428  -4.428
  822    H    ASN 110           HN       ASN 110  11.526  -5.470  -5.470
  823    HA   ASN 110           HA       ASN 110  13.499  -4.027  -4.027
  824   1HB   ASN 110           HB1      ASN 110  11.566  -6.208  -6.208
  825   2HB   ASN 110           HB2      ASN 110  12.894  -5.686  -5.686
  826   1HD2  ASN 110          HD22      ASN 110  13.896  -8.516  -8.516
  827   2HD2  ASN 110          HD21      ASN 110  12.500  -8.324  -8.324
  828    H    TRP 111           HN       TRP 111  10.177  -4.592  -4.592
  829    HA   TRP 111           HA       TRP 111  10.288  -2.691  -2.691
  830   1HB   TRP 111           HB1      TRP 111   8.642  -4.584  -4.584
  831   2HB   TRP 111           HB2      TRP 111   7.862  -3.522  -3.522
  832    HD1  TRP 111           HD1      TRP 111   8.338  -4.056  -4.056
  833    HE1  TRP 111           HE1      TRP 111   6.794  -2.444  -2.444
  834    HE3  TRP 111           HE3      TRP 111   6.683  -1.144  -1.144
  835    HZ2  TRP 111           HZ2      TRP 111   5.083  -0.214  -0.214
  836    HZ3  TRP 111           HZ3      TRP 111   5.098   0.714   0.714
  837    HH2  TRP 111           HH2      TRP 111   4.297   1.183   1.183
  838    H    LEU 112           HN       LEU 112  10.019  -2.217  -2.217
  839    HA   LEU 112           HA       LEU 112   8.757   0.445   0.445
  840   1HB   LEU 112           HB2      LEU 112   8.048  -0.960  -0.960
  841   2HB   LEU 112           HB1      LEU 112   9.712  -1.324  -1.324
  842    HG   LEU 112           HG       LEU 112   8.820   1.536   1.536
  843   1HD1  LEU 112          HD21      LEU 112   7.590  -0.559  -0.559
  844   2HD1  LEU 112          HD23      LEU 112   8.487   0.531   0.531
  845   3HD1  LEU 112          HD22      LEU 112   7.233   1.168   1.168
  846   1HD2  LEU 112          HD13      LEU 112  11.112   0.049   0.049
  847   2HD2  LEU 112          HD12      LEU 112  10.825   1.770   1.770
  848   3HD2  LEU 112          HD11      LEU 112  10.379   0.602   0.602
  849    H    LYS 113           HN       LYS 113  11.897  -0.991  -0.991
  850    HA   LYS 113           HA       LYS 113  13.087   1.705   1.705
  851   1HB   LYS 113           HB2      LYS 113  14.980   0.454   0.454
  852   2HB   LYS 113           HB1      LYS 113  13.503  -0.221  -0.221
  853   1HG   LYS 113           HG2      LYS 113  13.621  -1.836  -1.836
  854   2HG   LYS 113           HG1      LYS 113  15.326  -1.385  -1.385
  855   1HD   LYS 113           HD2      LYS 113  14.283  -2.037  -2.037
  856   2HD   LYS 113           HD1      LYS 113  14.230  -3.391  -3.391
  857   1HE   LYS 113           HE2      LYS 113  16.748  -1.879  -1.879
  858   2HE   LYS 113           HE1      LYS 113  16.471  -2.631  -2.631
  859   1HZ   LYS 113           HZ2      LYS 113  15.783  -4.670  -4.670
  860   2HZ   LYS 113           HZ1      LYS 113  16.414  -3.937  -3.937
  861   3HZ   LYS 113           HZ3      LYS 113  17.437  -4.292  -4.292
  862    H    LYS 114           HN       LYS 114  12.239   0.277   0.277
  863    HA   LYS 114           HA       LYS 114  14.700  -0.119  -0.119
  864   1HB   LYS 114           HB2      LYS 114  12.240  -0.913  -0.913
  865   2HB   LYS 114           HB1      LYS 114  12.036   0.654   0.654
  866   1HG   LYS 114           HG2      LYS 114  14.205   0.024   0.024
  867   2HG   LYS 114           HG1      LYS 114  13.842  -1.624  -1.624
  868   1HD   LYS 114           HD2      LYS 114  11.609  -0.034  -0.034
  869   2HD   LYS 114           HD1      LYS 114  12.859  -0.621  -0.621
  870   1HE   LYS 114           HE2      LYS 114  12.427  -2.892  -2.892
  871   2HE   LYS 114           HE1      LYS 114  11.537  -2.462  -2.462
  872   1HZ   LYS 114           HZ1      LYS 114  10.681  -1.512  -1.512
  873   2HZ   LYS 114           HZ3      LYS 114  10.162  -3.006  -3.006
  874   3HZ   LYS 114           HZ2      LYS 114   9.779  -1.573  -1.573
  875    H    ARG 115           HN       ARG 115  12.413   2.605   2.605
  876    HA   ARG 115           HA       ARG 115  13.898   4.322   4.322
  877   1HB   ARG 115           HB2      ARG 115  11.702   4.782   4.782
  878   2HB   ARG 115           HB1      ARG 115  12.259   6.009   6.009
  879   1HG   ARG 115           HG2      ARG 115  11.737   4.386   4.386
  880   2HG   ARG 115           HG1      ARG 115  10.975   3.347   3.347
  881   1HD   ARG 115           HD2      ARG 115   9.639   5.524   5.524
  882   2HD   ARG 115           HD1      ARG 115  10.090   6.045   6.045
  883    HE   ARG 115           HE       ARG 115   9.172   3.344   3.344
  884   1HH1  ARG 115          HH21      ARG 115   7.713   6.012   6.012
  885   2HH1  ARG 115          HH22      ARG 115   6.266   5.953   5.953
  886   1HH2  ARG 115          HH11      ARG 115   7.450   3.487   3.487
  887   2HH2  ARG 115          HH12      ARG 115   6.118   4.524   4.524
  888    H    THR 116           HN       THR 116  14.174   3.507   3.507
  889    HA   THR 116           HA       THR 116  15.644   5.995   5.995
  890    HB   THR 116           HB       THR 116  15.579   5.024   5.024
  891    HG1  THR 116           HG1      THR 116  14.595   2.976   2.976
  892   1HG2  THR 116          HG22      THR 116  12.986   4.771   4.771
  893   2HG2  THR 116          HG21      THR 116  13.095   4.799   4.799
  894   3HG2  THR 116          HG23      THR 116  13.588   6.211   6.211
  895    H    GLY 117           HN       GLY 117  16.221   2.522   2.522
  896   1HA   GLY 117           HA1      GLY 117  18.949   2.523   2.523
  897   2HA   GLY 117           HA2      GLY 117  18.225   1.309   1.309
  898    HA   PRO 118           HA       PRO 118  21.071   4.299   4.299
  899   1HB   PRO 118           HB1      PRO 118  23.311   2.738   2.738
  900   2HB   PRO 118           HB2      PRO 118  23.056   3.899   3.899
  901   1HG   PRO 118           HG2      PRO 118  22.702   0.941   0.941
  902   2HG   PRO 118           HG1      PRO 118  23.329   1.991   1.991
  903   1HD   PRO 118           HD2      PRO 118  20.797   0.965   0.965
  904   2HD   PRO 118           HD1      PRO 118  21.245   2.480   2.480
  905    H    ALA 119           HN       ALA 119  21.036   4.106   4.106
  906    HA   ALA 119           HA       ALA 119  19.965   1.602   1.602
  907   1HB   ALA 119           HB2      ALA 119  20.602   4.367   4.367
  908   2HB   ALA 119           HB1      ALA 119  19.906   3.084   3.084
  909   3HB   ALA 119           HB3      ALA 119  19.010   3.714   3.714
  910    H    ALA 120           HN       ALA 120  21.485   0.031   0.031
  911    HA   ALA 120           HA       ALA 120  24.238   0.777   0.777
  912   1HB   ALA 120           HB1      ALA 120  22.802  -1.856  -1.856
  913   2HB   ALA 120           HB3      ALA 120  24.531  -1.709  -1.709
  914   3HB   ALA 120           HB2      ALA 120  23.842  -1.010  -1.010

  Start of MODEL   30
    1   1H    ASP   1           HT3      ASP   1 -11.021   6.385   6.385
    2   2H    ASP   1           HT2      ASP   1 -12.191   7.616   7.616
    3   3H    ASP   1           HT1      ASP   1 -10.545   7.999   7.999
    4    HA   ASP   1           HA       ASP   1 -11.231   8.564   8.564
    5   1HB   ASP   1           HB1      ASP   1 -12.951   6.450   6.450
    6   2HB   ASP   1           HB2      ASP   1 -11.847   5.782   5.782
    7    H    ALA   2           HN       ALA   2  -9.042   8.842   8.842
    8    HA   ALA   2           HA       ALA   2  -6.866   8.295   8.295
    9   1HB   ALA   2           HB3      ALA   2  -8.693   7.057   7.057
   10   2HB   ALA   2           HB2      ALA   2  -7.848   5.642   5.642
   11   3HB   ALA   2           HB1      ALA   2  -6.957   6.880   6.880
   12    HA   PRO   3           HA       PRO   3  -5.930   5.687   5.687
   13   1HB   PRO   3           HB2      PRO   3  -3.505   6.845   6.845
   14   2HB   PRO   3           HB1      PRO   3  -5.045   7.529   7.529
   15   1HG   PRO   3           HG2      PRO   3  -3.340   8.311   8.311
   16   2HG   PRO   3           HG1      PRO   3  -4.268   9.329   9.329
   17   1HD   PRO   3           HD2      PRO   3  -5.097   8.690   8.690
   18   2HD   PRO   3           HD1      PRO   3  -6.201   9.098   9.098
   19    H    GLU   4           HN       GLU   4  -4.428   3.926   3.926
   20    HA   GLU   4           HA       GLU   4  -2.168   3.601   3.601
   21   1HB   GLU   4           HB2      GLU   4  -4.127   3.356   3.356
   22   2HB   GLU   4           HB1      GLU   4  -4.712   2.027   2.027
   23   1HG   GLU   4           HG1      GLU   4  -2.190   2.135   2.135
   24   2HG   GLU   4           HG2      GLU   4  -3.526   0.992   0.992
   25    H    GLU   5           HN       GLU   5  -0.920   1.776   1.776
   26    HA   GLU   5           HA       GLU   5  -1.368   0.713   0.713
   27   1HB   GLU   5           HB1      GLU   5   0.436  -0.199  -0.199
   28   2HB   GLU   5           HB2      GLU   5   0.639  -0.613  -0.613
   29   1HG   GLU   5           HG1      GLU   5   0.591   2.007   2.007
   30   2HG   GLU   5           HG2      GLU   5   1.058   2.020   2.020
   31    H    GLU   6           HN       GLU   6  -1.349  -1.769  -1.769
   32    HA   GLU   6           HA       GLU   6  -3.215  -3.069  -3.069
   33   1HB   GLU   6           HB1      GLU   6  -3.292  -2.651  -2.651
   34   2HB   GLU   6           HB2      GLU   6  -3.814  -4.239  -4.239
   35   1HG   GLU   6           HG2      GLU   6  -4.855  -1.888  -1.888
   36   2HG   GLU   6           HG1      GLU   6  -5.486  -2.128  -2.128
   37    H    ASP   7           HN       ASP   7  -1.844  -4.533  -4.533
   38    HA   ASP   7           HA       ASP   7  -0.512  -6.570  -6.570
   39   1HB   ASP   7           HB1      ASP   7  -1.277  -6.324  -6.324
   40   2HB   ASP   7           HB2      ASP   7  -0.287  -7.657  -7.657
   41    H    HIS   8           HN       HIS   8   1.052  -4.641  -4.641
   42    HA   HIS   8           HA       HIS   8   3.251  -3.809  -3.809
   43   1HB   HIS   8           HB1      HIS   8   3.176  -6.369  -6.369
   44   2HB   HIS   8           HB2      HIS   8   4.102  -5.335  -5.335
   45    HD1  HIS   8           HD1      HIS   8   4.831  -7.571  -7.571
   46    HD2  HIS   8           HD2      HIS   8   5.857  -3.560  -3.560
   47    HE1  HIS   8           HE1      HIS   8   6.874  -7.168  -7.168
   48    H    VAL   9           HN       VAL   9   0.847  -3.169  -3.169
   49    HA   VAL   9           HA       VAL   9   2.524  -1.379  -1.379
   50    HB   VAL   9           HB       VAL   9   0.938  -1.940  -1.940
   51   1HG1  VAL   9          HG21      VAL   9   3.063  -3.178  -3.178
   52   2HG1  VAL   9          HG23      VAL   9   2.264  -4.343  -4.343
   53   3HG1  VAL   9          HG22      VAL   9   1.787  -4.218  -4.218
   54   1HG2  VAL   9          HG12      VAL   9  -0.532  -3.073  -3.073
   55   2HG2  VAL   9          HG11      VAL   9  -1.009  -2.934  -2.934
   56   3HG2  VAL   9          HG13      VAL   9  -0.139  -4.364  -4.364
   57    H    LEU  10           HN       LEU  10   1.026   0.380   0.380
   58    HA   LEU  10           HA       LEU  10  -0.573   1.540   1.540
   59   1HB   LEU  10           HB1      LEU  10   1.085   2.485   2.485
   60   2HB   LEU  10           HB2      LEU  10  -0.499   2.807   2.807
   61    HG   LEU  10           HG       LEU  10  -0.838   3.601   3.601
   62   1HD1  LEU  10          HD12      LEU  10   1.843   3.315   3.315
   63   2HD1  LEU  10          HD11      LEU  10   1.703   4.956   4.956
   64   3HD1  LEU  10          HD13      LEU  10   1.066   4.569   4.569
   65   1HD2  LEU  10          HD22      LEU  10  -1.413   4.697   4.697
   66   2HD2  LEU  10          HD21      LEU  10  -1.060   5.771   5.771
   67   3HD2  LEU  10          HD23      LEU  10   0.169   5.467   5.467
   68    H    VAL  11           HN       VAL  11  -2.740   2.554   2.554
   69    HA   VAL  11           HA       VAL  11  -4.275   0.736   0.736
   70    HB   VAL  11           HB       VAL  11  -4.661   0.312   0.312
   71   1HG1  VAL  11          HG23      VAL  11  -5.458   3.238   3.238
   72   2HG1  VAL  11          HG22      VAL  11  -5.786   2.122   2.122
   73   3HG1  VAL  11          HG21      VAL  11  -4.121   2.511   2.511
   74   1HG2  VAL  11          HG12      VAL  11  -6.956   1.692   1.692
   75   2HG2  VAL  11          HG11      VAL  11  -6.529  -0.015  -0.015
   76   3HG2  VAL  11          HG13      VAL  11  -7.130   0.632   0.632
   77    H    LEU  12           HN       LEU  12  -6.173   1.831   1.831
   78    HA   LEU  12           HA       LEU  12  -5.967   4.821   4.821
   79   1HB   LEU  12           HB2      LEU  12  -5.163   3.041   3.041
   80   2HB   LEU  12           HB1      LEU  12  -6.652   3.796   3.796
   81    HG   LEU  12           HG       LEU  12  -5.714   6.024   6.024
   82   1HD1  LEU  12          HD11      LEU  12  -3.601   4.357   4.357
   83   2HD1  LEU  12          HD13      LEU  12  -3.052   5.791   5.791
   84   3HD1  LEU  12          HD12      LEU  12  -4.204   5.948   5.948
   85   1HD2  LEU  12          HD21      LEU  12  -4.522   4.089   4.089
   86   2HD2  LEU  12          HD23      LEU  12  -5.100   5.728   5.728
   87   3HD2  LEU  12          HD22      LEU  12  -3.479   5.469   5.469
   88    H    ARG  13           HN       ARG  13  -7.924   5.907   5.907
   89    HA   ARG  13           HA       ARG  13 -10.390   4.291   4.291
   90   1HB   ARG  13           HB2      ARG  13  -9.662   6.074   6.074
   91   2HB   ARG  13           HB1      ARG  13 -11.345   5.724   5.724
   92   1HG   ARG  13           HG2      ARG  13 -10.695   3.252   3.252
   93   2HG   ARG  13           HG1      ARG  13  -9.175   3.767   3.767
   94   1HD   ARG  13           HD2      ARG  13 -10.314   4.705   4.705
   95   2HD   ARG  13           HD1      ARG  13 -11.896   4.509   4.509
   96    HE   ARG  13           HE       ARG  13 -10.282   2.047   2.047
   97   1HH1  ARG  13          HH21      ARG  13 -12.570   0.859   0.859
   98   2HH1  ARG  13          HH22      ARG  13 -13.446   1.047   1.047
   99   1HH2  ARG  13          HH11      ARG  13 -11.509   3.695   3.695
  100   2HH2  ARG  13          HH12      ARG  13 -12.847   2.652   2.652
  101    H    LYS  14           HN       LYS  14 -12.219   6.385   6.385
  102    HA   LYS  14           HA       LYS  14 -11.944   7.862   7.862
  103   1HB   LYS  14           HB2      LYS  14 -13.811   7.553   7.553
  104   2HB   LYS  14           HB1      LYS  14 -13.862   9.150   9.150
  105   1HG   LYS  14           HG2      LYS  14 -13.748   7.469   7.469
  106   2HG   LYS  14           HG1      LYS  14 -14.751   6.558   6.558
  107   1HD   LYS  14           HD1      LYS  14 -15.357   9.457   9.457
  108   2HD   LYS  14           HD2      LYS  14 -15.738   8.479   8.479
  109   1HE   LYS  14           HE2      LYS  14 -17.480   7.448   7.448
  110   2HE   LYS  14           HE1      LYS  14 -16.556   7.244   7.244
  111   1HZ   LYS  14           HZ3      LYS  14 -16.796   9.659   9.659
  112   2HZ   LYS  14           HZ2      LYS  14 -17.820   9.748   9.748
  113   3HZ   LYS  14           HZ1      LYS  14 -18.285   8.846   8.846
  114    H    SER  15           HN       SER  15 -11.124   8.594   8.594
  115    HA   SER  15           HA       SER  15 -10.401  11.388  11.388
  116   1HB   SER  15           HB2      SER  15 -11.254   9.973   9.973
  117   2HB   SER  15           HB1      SER  15 -10.216  11.388  11.388
  118    HG   SER  15           HG       SER  15 -12.767  11.420  11.420
  119    H    ASN  16           HN       ASN  16  -8.919   8.407   8.407
  120    HA   ASN  16           HA       ASN  16  -6.401   9.501   9.501
  121   1HB   ASN  16           HB1      ASN  16  -7.839   6.998   6.998
  122   2HB   ASN  16           HB2      ASN  16  -6.210   6.747   6.747
  123   1HD2  ASN  16          HD22      ASN  16  -6.159   6.519   6.519
  124   2HD2  ASN  16          HD21      ASN  16  -7.034   5.712   5.712
  125    H    PHE  17           HN       PHE  17  -7.766   8.072   8.072
  126    HA   PHE  17           HA       PHE  17  -5.429   7.587   7.587
  127   1HB   PHE  17           HB1      PHE  17  -7.797   7.019   7.019
  128   2HB   PHE  17           HB2      PHE  17  -8.088   8.722   8.722
  129    HD1  PHE  17           HD2      PHE  17  -6.876   9.845   9.845
  130    HD2  PHE  17           HD1      PHE  17  -6.587   5.616   5.616
  131    HE1  PHE  17           HE2      PHE  17  -5.967   9.532   9.532
  132    HE2  PHE  17           HE1      PHE  17  -5.679   5.303   5.303
  133    HZ   PHE  17           HZ       PHE  17  -5.364   7.266   7.266
  134    H    ALA  18           HN       ALA  18  -7.472  10.520  10.520
  135    HA   ALA  18           HA       ALA  18  -5.733  12.089  12.089
  136   1HB   ALA  18           HB3      ALA  18  -8.114  12.545  12.545
  137   2HB   ALA  18           HB2      ALA  18  -7.527  13.006  13.006
  138   3HB   ALA  18           HB1      ALA  18  -7.058  13.946  13.946
  139    H    GLU  19           HN       GLU  19  -5.490  11.222  11.222
  140    HA   GLU  19           HA       GLU  19  -3.607  13.350  13.350
  141   1HB   GLU  19           HB2      GLU  19  -5.233  12.225  12.225
  142   2HB   GLU  19           HB1      GLU  19  -4.313  10.734  10.734
  143   1HG   GLU  19           HG2      GLU  19  -2.405  11.652  11.652
  144   2HG   GLU  19           HG1      GLU  19  -3.003  13.304  13.304
  145    H    ALA  20           HN       ALA  20  -3.276   9.784   9.784
  146    HA   ALA  20           HA       ALA  20  -0.473   9.630   9.630
  147   1HB   ALA  20           HB2      ALA  20  -2.626   7.929   7.929
  148   2HB   ALA  20           HB1      ALA  20  -1.764   7.716   7.716
  149   3HB   ALA  20           HB3      ALA  20  -0.938   7.419   7.419
  150    H    LEU  21           HN       LEU  21  -2.542  10.298  10.298
  151    HA   LEU  21           HA       LEU  21  -0.647   9.962   9.962
  152   1HB   LEU  21           HB2      LEU  21  -3.234  11.274  11.274
  153   2HB   LEU  21           HB1      LEU  21  -2.299  12.032  12.032
  154    HG   LEU  21           HG       LEU  21  -3.824  10.208  10.208
  155   1HD1  LEU  21          HD22      LEU  21  -0.874  10.272  10.272
  156   2HD1  LEU  21          HD21      LEU  21  -1.725   8.871   8.871
  157   3HD1  LEU  21          HD23      LEU  21  -2.166  10.492  10.492
  158   1HD2  LEU  21          HD12      LEU  21  -3.009   8.843   8.843
  159   2HD2  LEU  21          HD11      LEU  21  -3.744   8.079   8.079
  160   3HD2  LEU  21          HD13      LEU  21  -1.988   8.108   8.108
  161    H    ALA  22           HN       ALA  22  -1.511  12.881  12.881
  162    HA   ALA  22           HA       ALA  22   0.740  14.386  14.386
  163   1HB   ALA  22           HB2      ALA  22  -1.810  14.890  14.890
  164   2HB   ALA  22           HB1      ALA  22  -0.561  15.789  15.789
  165   3HB   ALA  22           HB3      ALA  22  -0.775  16.021  16.021
  166    H    ALA  23           HN       ALA  23   0.025  12.552  12.552
  167    HA   ALA  23           HA       ALA  23   1.644  13.703  13.703
  168   1HB   ALA  23           HB2      ALA  23   1.218  10.784  10.784
  169   2HB   ALA  23           HB1      ALA  23   1.756  11.372  11.372
  170   3HB   ALA  23           HB3      ALA  23   0.139  11.767  11.767
  171    H    HIS  24           HN       HIS  24   2.739  10.913  10.913
  172    HA   HIS  24           HA       HIS  24   5.498  12.096  12.096
  173   1HB   HIS  24           HB1      HIS  24   4.368   9.538   9.538
  174   2HB   HIS  24           HB2      HIS  24   5.618   9.312   9.312
  175    HD1  HIS  24           HD1      HIS  24   6.224   8.368   8.368
  176    HD2  HIS  24           HD2      HIS  24   7.118  12.216  12.216
  177    HE1  HIS  24           HE1      HIS  24   8.056   9.242   9.242
  178    H    LYS  25           HN       LYS  25   6.838  10.863  10.863
  179    HA   LYS  25           HA       LYS  25   5.460  11.508  11.508
  180   1HB   LYS  25           HB1      LYS  25   8.248  10.778  10.778
  181   2HB   LYS  25           HB2      LYS  25   7.842  10.830  10.830
  182   1HG   LYS  25           HG1      LYS  25   6.754  13.183  13.183
  183   2HG   LYS  25           HG2      LYS  25   8.358  13.026  13.026
  184   1HD   LYS  25           HD2      LYS  25   7.865  12.707  12.707
  185   2HD   LYS  25           HD1      LYS  25   8.251  14.264  14.264
  186   1HE   LYS  25           HE2      LYS  25  10.148  12.462  12.462
  187   2HE   LYS  25           HE1      LYS  25  10.051  12.097  12.097
  188   1HZ   LYS  25           HZ1      LYS  25  10.329  14.814  14.814
  189   2HZ   LYS  25           HZ3      LYS  25  11.576  13.940  13.940
  190   3HZ   LYS  25           HZ2      LYS  25  10.237  14.454  14.454
  191    H    TYR  26           HN       TYR  26   7.425   8.704   8.704
  192    HA   TYR  26           HA       TYR  26   6.178   6.952   6.952
  193   1HB   TYR  26           HB1      TYR  26   8.317   6.867   6.867
  194   2HB   TYR  26           HB2      TYR  26   7.628   5.324   5.324
  195    HD1  TYR  26           HD2      TYR  26   8.084   8.413   8.413
  196    HD2  TYR  26           HD1      TYR  26   9.355   4.369   4.369
  197    HE1  TYR  26           HE2      TYR  26   9.451   8.482   8.482
  198    HE2  TYR  26           HE1      TYR  26  10.719   4.438   4.438
  199    HH   TYR  26           HH       TYR  26  10.626   5.804   5.804
  200    H    LEU  27           HN       LEU  27   4.007   6.519   6.519
  201    HA   LEU  27           HA       LEU  27   3.466   5.294   5.294
  202   1HB   LEU  27           HB1      LEU  27   2.558   7.750   7.750
  203   2HB   LEU  27           HB2      LEU  27   1.189   6.652   6.652
  204    HG   LEU  27           HG       LEU  27   1.197   7.792   7.792
  205   1HD1  LEU  27          HD21      LEU  27   1.233   4.893   4.893
  206   2HD1  LEU  27          HD23      LEU  27   1.571   5.339   5.339
  207   3HD1  LEU  27          HD22      LEU  27   0.079   5.875   5.875
  208   1HD2  LEU  27          HD11      LEU  27   3.816   7.734   7.734
  209   2HD2  LEU  27          HD13      LEU  27   2.953   7.570   7.570
  210   3HD2  LEU  27          HD12      LEU  27   3.603   6.141   6.141
  211    H    LEU  28           HN       LEU  28   2.964   3.178   3.178
  212    HA   LEU  28           HA       LEU  28   1.662   2.447   2.447
  213   1HB   LEU  28           HB2      LEU  28   3.763   1.350   1.350
  214   2HB   LEU  28           HB1      LEU  28   2.719   0.659   0.659
  215    HG   LEU  28           HG       LEU  28   3.148  -0.869  -0.869
  216   1HD1  LEU  28          HD21      LEU  28   0.865  -0.492  -0.492
  217   2HD1  LEU  28          HD23      LEU  28   0.247  -0.373  -0.373
  218   3HD1  LEU  28          HD22      LEU  28   1.115  -1.820  -1.820
  219   1HD2  LEU  28          HD13      LEU  28   2.706   1.385   1.385
  220   2HD2  LEU  28          HD12      LEU  28   2.678  -0.265  -0.265
  221   3HD2  LEU  28          HD11      LEU  28   1.172   0.529   0.529
  222    H    VAL  29           HN       VAL  29  -0.416   1.575   1.575
  223    HA   VAL  29           HA       VAL  29  -1.836   1.244   1.244
  224    HB   VAL  29           HB       VAL  29  -2.741   2.591   2.591
  225   1HG1  VAL  29          HG21      VAL  29  -4.244   2.111   2.111
  226   2HG1  VAL  29          HG23      VAL  29  -4.831   3.066   3.066
  227   3HG1  VAL  29          HG22      VAL  29  -4.583   1.330   1.330
  228   1HG2  VAL  29          HG13      VAL  29  -2.038   3.568   3.568
  229   2HG2  VAL  29          HG12      VAL  29  -1.347   4.081   4.081
  230   3HG2  VAL  29          HG11      VAL  29  -2.999   4.536   4.536
  231    H    GLU  30           HN       GLU  30  -3.206  -0.545  -0.545
  232    HA   GLU  30           HA       GLU  30  -3.379  -2.238  -2.238
  233   1HB   GLU  30           HB1      GLU  30  -1.922  -3.200  -3.200
  234   2HB   GLU  30           HB2      GLU  30  -3.113  -2.913  -2.913
  235   1HG   GLU  30           HG1      GLU  30  -4.675  -4.472  -4.472
  236   2HG   GLU  30           HG2      GLU  30  -3.412  -4.810  -4.810
  237    H    PHE  31           HN       PHE  31  -5.466  -2.413  -2.413
  238    HA   PHE  31           HA       PHE  31  -7.697  -1.782  -1.782
  239   1HB   PHE  31           HB1      PHE  31  -7.366  -1.969  -1.969
  240   2HB   PHE  31           HB2      PHE  31  -8.929  -1.705  -1.705
  241    HD1  PHE  31           HD1      PHE  31  -9.269   0.318   0.318
  242    HD2  PHE  31           HD2      PHE  31  -5.769  -0.208  -0.208
  243    HE1  PHE  31           HE1      PHE  31  -8.758   2.736   2.736
  244    HE2  PHE  31           HE2      PHE  31  -5.258   2.210   2.210
  245    HZ   PHE  31           HZ       PHE  31  -6.745   3.681   3.681
  246    H    TYR  32           HN       TYR  32  -8.590  -3.568  -3.568
  247    HA   TYR  32           HA       TYR  32  -9.405  -5.845  -5.845
  248   1HB   TYR  32           HB1      TYR  32  -8.107  -7.484  -7.484
  249   2HB   TYR  32           HB2      TYR  32  -6.993  -6.185  -6.185
  250    HD1  TYR  32           HD2      TYR  32  -7.059  -4.203  -4.203
  251    HD2  TYR  32           HD1      TYR  32  -7.911  -8.365  -8.365
  252    HE1  TYR  32           HE2      TYR  32  -6.501  -3.944  -3.944
  253    HE2  TYR  32           HE1      TYR  32  -7.346  -8.105  -8.105
  254    HH   TYR  32           HH       TYR  32  -5.915  -6.523  -6.523
  255    H    ALA  33           HN       ALA  33 -10.091  -7.621  -7.621
  256    HA   ALA  33           HA       ALA  33 -11.825  -6.043  -6.043
  257   1HB   ALA  33           HB2      ALA  33 -12.612  -8.395  -8.395
  258   2HB   ALA  33           HB1      ALA  33 -13.668  -7.597  -7.597
  259   3HB   ALA  33           HB3      ALA  33 -13.096  -6.717  -6.717
  260    HA   PRO  34           HA       PRO  34 -10.544  -8.979  -8.979
  261   1HB   PRO  34           HB2      PRO  34 -12.819  -9.325  -9.325
  262   2HB   PRO  34           HB1      PRO  34 -11.818  -7.863  -7.863
  263   1HG   PRO  34           HG2      PRO  34 -14.360  -8.350  -8.350
  264   2HG   PRO  34           HG1      PRO  34 -13.841  -6.917  -6.917
  265   1HD   PRO  34           HD1      PRO  34 -13.730  -7.068  -7.068
  266   2HD   PRO  34           HD2      PRO  34 -12.588  -6.105  -6.105
  267    H    TRP  35           HN       TRP  35 -13.093  -9.698  -9.698
  268    HA   TRP  35           HA       TRP  35 -12.792 -12.622 -12.622
  269   1HB   TRP  35           HB2      TRP  35 -15.196 -12.750 -12.750
  270   2HB   TRP  35           HB1      TRP  35 -14.983 -11.908 -11.908
  271    HD1  TRP  35           HD1      TRP  35 -14.943 -10.884 -10.884
  272    HE1  TRP  35           HE1      TRP  35 -16.222  -8.651  -8.651
  273    HE3  TRP  35           HE3      TRP  35 -16.181 -10.085 -10.085
  274    HZ2  TRP  35           HZ2      TRP  35 -17.589  -6.786  -6.786
  275    HZ3  TRP  35           HZ3      TRP  35 -17.467  -8.072  -8.072
  276    HH2  TRP  35           HH2      TRP  35 -18.167  -6.423  -6.423
  277    H    CYS  36           HN       CYS  36 -11.631 -10.527 -10.527
  278    HA   CYS  36           HA       CYS  36 -12.581 -11.232 -11.232
  279   1HB   CYS  36           HB2      CYS  36 -10.370 -10.294 -10.294
  280   2HB   CYS  36           HB1      CYS  36 -11.183  -9.279  -9.279
  281    H    GLY  37           HN       GLY  37 -10.368 -12.145 -12.145
  282   1HA   GLY  37           HA2      GLY  37  -9.731 -14.790 -14.790
  283   2HA   GLY  37           HA1      GLY  37 -10.350 -14.706 -14.706
  284    H    HIS  38           HN       HIS  38  -7.787 -15.789 -15.789
  285    HA   HIS  38           HA       HIS  38  -5.542 -15.683 -15.683
  286   1HB   HIS  38           HB2      HIS  38  -7.233 -14.685 -14.685
  287   2HB   HIS  38           HB1      HIS  38  -6.012 -13.423 -13.423
  288    HD1  HIS  38           HD1      HIS  38  -3.449 -14.280 -14.280
  289    HD2  HIS  38           HD2      HIS  38  -6.368 -16.933 -16.933
  290    HE1  HIS  38           HE1      HIS  38  -2.252 -15.997 -15.997
  291    H    CYS  39           HN       CYS  39  -6.747 -13.607 -13.607
  292    HA   CYS  39           HA       CYS  39  -4.885 -11.341 -11.341
  293   1HB   CYS  39           HB2      CYS  39  -6.839 -12.124 -12.124
  294   2HB   CYS  39           HB1      CYS  39  -6.071 -10.547 -10.547
  295    H    LYS  40           HN       LYS  40  -5.117 -14.363 -14.363
  296    HA   LYS  40           HA       LYS  40  -3.126 -13.724 -13.724
  297   1HB   LYS  40           HB2      LYS  40  -4.260 -16.323 -16.323
  298   2HB   LYS  40           HB1      LYS  40  -3.278 -16.195 -16.195
  299   1HG   LYS  40           HG2      LYS  40  -5.174 -15.785 -15.785
  300   2HG   LYS  40           HG1      LYS  40  -5.276 -14.243 -14.243
  301   1HD   LYS  40           HD2      LYS  40  -7.217 -15.017 -15.017
  302   2HD   LYS  40           HD1      LYS  40  -6.218 -16.075 -16.075
  303   1HE   LYS  40           HE2      LYS  40  -6.589 -17.933 -17.933
  304   2HE   LYS  40           HE1      LYS  40  -6.893 -16.943 -16.943
  305   1HZ   LYS  40           HZ1      LYS  40  -8.643 -17.031 -17.031
  306   2HZ   LYS  40           HZ3      LYS  40  -8.957 -17.848 -17.848
  307   3HZ   LYS  40           HZ2      LYS  40  -8.933 -16.150 -16.150
  308    H    ALA  41           HN       ALA  41  -2.990 -14.664 -14.664
  309    HA   ALA  41           HA       ALA  41  -0.578 -16.136 -16.136
  310   1HB   ALA  41           HB3      ALA  41  -2.424 -15.297 -15.297
  311   2HB   ALA  41           HB2      ALA  41  -1.222 -14.043 -14.043
  312   3HB   ALA  41           HB1      ALA  41  -0.803 -15.740 -15.740
  313    H    LEU  42           HN       LEU  42  -1.117 -12.661 -12.661
  314    HA   LEU  42           HA       LEU  42   1.850 -12.321 -12.321
  315   1HB   LEU  42           HB2      LEU  42   0.312 -11.391 -11.391
  316   2HB   LEU  42           HB1      LEU  42   0.269 -10.019 -10.019
  317    HG   LEU  42           HG       LEU  42   2.786 -10.196 -10.196
  318   1HD1  LEU  42          HD11      LEU  42   2.188 -12.444 -12.444
  319   2HD1  LEU  42          HD13      LEU  42   3.551 -11.428 -11.428
  320   3HD1  LEU  42          HD12      LEU  42   3.545 -12.224 -12.224
  321   1HD2  LEU  42          HD21      LEU  42   1.386  -8.715  -8.715
  322   2HD2  LEU  42          HD23      LEU  42   3.121  -8.872  -8.872
  323   3HD2  LEU  42          HD22      LEU  42   1.991  -9.816  -9.816
  324    H    ALA  43           HN       ALA  43  -0.356 -12.713 -12.713
  325    HA   ALA  43           HA       ALA  43  -0.877 -10.154 -10.154
  326   1HB   ALA  43           HB1      ALA  43  -1.448 -13.001 -13.001
  327   2HB   ALA  43           HB3      ALA  43  -1.163 -12.192 -12.192
  328   3HB   ALA  43           HB2      ALA  43  -2.425 -11.605 -11.605
  329    HA   PRO  44           HA       PRO  44   2.541 -11.483 -11.483
  330   1HB   PRO  44           HB1      PRO  44   3.998 -13.737 -13.737
  331   2HB   PRO  44           HB2      PRO  44   2.496 -13.757 -13.757
  332   1HG   PRO  44           HG2      PRO  44   2.964 -14.474 -14.474
  333   2HG   PRO  44           HG1      PRO  44   1.893 -15.228 -15.228
  334   1HD   PRO  44           HD1      PRO  44   1.036 -13.518 -13.518
  335   2HD   PRO  44           HD2      PRO  44   0.194 -13.764 -13.764
  336    H    GLU  45           HN       GLU  45   2.820 -11.360 -11.360
  337    HA   GLU  45           HA       GLU  45   5.759 -10.941 -10.941
  338   1HB   GLU  45           HB2      GLU  45   3.571 -11.027 -11.027
  339   2HB   GLU  45           HB1      GLU  45   5.269 -10.745 -10.745
  340   1HG   GLU  45           HG2      GLU  45   5.343 -13.016 -13.016
  341   2HG   GLU  45           HG1      GLU  45   5.471 -12.963 -12.963
  342    H    TYR  46           HN       TYR  46   2.706  -9.260  -9.260
  343    HA   TYR  46           HA       TYR  46   3.908  -6.689  -6.689
  344   1HB   TYR  46           HB2      TYR  46   1.792  -6.934  -6.934
  345   2HB   TYR  46           HB1      TYR  46   1.229  -7.941  -7.941
  346    HD1  TYR  46           HD1      TYR  46   0.320  -6.936  -6.936
  347    HD2  TYR  46           HD2      TYR  46   1.686  -4.511  -4.511
  348    HE1  TYR  46           HE1      TYR  46  -0.824  -4.968  -4.968
  349    HE2  TYR  46           HE2      TYR  46   0.544  -2.541  -2.541
  350    HH   TYR  46           HH       TYR  46  -1.764  -2.777  -2.777
  351    H    ALA  47           HN       ALA  47   3.093  -8.432  -8.432
  352    HA   ALA  47           HA       ALA  47   3.068  -6.030  -6.030
  353   1HB   ALA  47           HB2      ALA  47   2.875  -9.022  -9.022
  354   2HB   ALA  47           HB1      ALA  47   2.950  -7.912  -7.912
  355   3HB   ALA  47           HB3      ALA  47   1.613  -7.812  -7.812
  356    H    LYS  48           HN       LYS  48   5.379  -8.357  -8.357
  357    HA   LYS  48           HA       LYS  48   7.336  -7.889  -7.889
  358   1HB   LYS  48           HB2      LYS  48   6.818  -9.758  -9.758
  359   2HB   LYS  48           HB1      LYS  48   8.408  -9.065  -9.065
  360   1HG   LYS  48           HG2      LYS  48   9.094 -10.661 -10.661
  361   2HG   LYS  48           HG1      LYS  48   8.602  -9.452  -9.452
  362   1HD   LYS  48           HD2      LYS  48   6.241 -10.548 -10.548
  363   2HD   LYS  48           HD1      LYS  48   7.130 -11.915 -11.915
  364   1HE   LYS  48           HE2      LYS  48   8.312 -10.819 -10.819
  365   2HE   LYS  48           HE1      LYS  48   6.709 -11.553 -11.553
  366   1HZ   LYS  48           HZ1      LYS  48   7.466 -13.487 -13.487
  367   2HZ   LYS  48           HZ3      LYS  48   9.003 -12.795 -12.795
  368   3HZ   LYS  48           HZ2      LYS  48   8.458 -13.230 -13.230
  369    H    ALA  49           HN       ALA  49   6.686  -6.712  -6.712
  370    HA   ALA  49           HA       ALA  49   9.168  -5.453  -5.453
  371   1HB   ALA  49           HB1      ALA  49   6.356  -5.370  -5.370
  372   2HB   ALA  49           HB3      ALA  49   7.211  -3.850  -3.850
  373   3HB   ALA  49           HB2      ALA  49   7.825  -5.340  -5.340
  374    H    ALA  50           HN       ALA  50   6.492  -4.465  -4.465
  375    HA   ALA  50           HA       ALA  50   7.307  -1.699  -1.699
  376   1HB   ALA  50           HB3      ALA  50   5.079  -3.108  -3.108
  377   2HB   ALA  50           HB2      ALA  50   5.795  -3.169  -3.169
  378   3HB   ALA  50           HB1      ALA  50   5.443  -1.612  -1.612
  379    H    GLY  51           HN       GLY  51   8.263  -4.718  -4.718
  380   1HA   GLY  51           HA2      GLY  51   9.445  -3.542  -3.542
  381   2HA   GLY  51           HA1      GLY  51   9.738  -5.177  -5.177
  382    H    LYS  52           HN       LYS  52  10.492  -4.084  -4.084
  383    HA   LYS  52           HA       LYS  52  13.316  -3.956  -3.956
  384   1HB   LYS  52           HB2      LYS  52  11.371  -3.118  -3.118
  385   2HB   LYS  52           HB1      LYS  52  13.115  -2.992  -2.992
  386   1HG   LYS  52           HG2      LYS  52  12.293  -5.588  -5.588
  387   2HG   LYS  52           HG1      LYS  52  11.596  -5.252  -5.252
  388   1HD   LYS  52           HD2      LYS  52  13.729  -4.971  -4.971
  389   2HD   LYS  52           HD1      LYS  52  14.531  -4.814  -4.814
  390   1HE   LYS  52           HE2      LYS  52  15.027  -7.039  -7.039
  391   2HE   LYS  52           HE1      LYS  52  13.720  -7.234  -7.234
  392   1HZ   LYS  52           HZ2      LYS  52  13.192  -6.809  -6.809
  393   2HZ   LYS  52           HZ1      LYS  52  13.376  -8.363  -8.363
  394   3HZ   LYS  52           HZ3      LYS  52  12.116  -7.362  -7.362
  395    H    LEU  53           HN       LEU  53  10.956  -1.332  -1.332
  396    HA   LEU  53           HA       LEU  53  12.750   0.855   0.855
  397   1HB   LEU  53           HB2      LEU  53  10.499   1.167   1.167
  398   2HB   LEU  53           HB1      LEU  53   9.852   0.428   0.428
  399    HG   LEU  53           HG       LEU  53  11.518   2.762   2.762
  400   1HD1  LEU  53          HD23      LEU  53  10.422   3.302   3.302
  401   2HD1  LEU  53          HD22      LEU  53   8.896   3.310   3.310
  402   3HD1  LEU  53          HD21      LEU  53  10.168   4.455   4.455
  403   1HD2  LEU  53          HD13      LEU  53   8.915   1.551   1.551
  404   2HD2  LEU  53          HD12      LEU  53  10.211   2.181   2.181
  405   3HD2  LEU  53          HD11      LEU  53   9.079   3.291   3.291
  406    H    LYS  54           HN       LYS  54  10.783  -0.405  -0.405
  407    HA   LYS  54           HA       LYS  54  11.707   1.151   1.151
  408   1HB   LYS  54           HB2      LYS  54  10.183  -1.124  -1.124
  409   2HB   LYS  54           HB1      LYS  54  11.509  -1.716  -1.716
  410   1HG   LYS  54           HG2      LYS  54  10.858  -0.498  -0.498
  411   2HG   LYS  54           HG1      LYS  54  10.375   0.887   0.887
  412   1HD   LYS  54           HD2      LYS  54   8.315   0.110   0.110
  413   2HD   LYS  54           HD1      LYS  54   8.425  -0.678  -0.678
  414   1HE   LYS  54           HE2      LYS  54   8.630  -2.761  -2.761
  415   2HE   LYS  54           HE1      LYS  54   9.670  -2.176  -2.176
  416   1HZ   LYS  54           HZ2      LYS  54   6.755  -1.637  -1.637
  417   2HZ   LYS  54           HZ1      LYS  54   7.440  -2.818  -2.818
  418   3HZ   LYS  54           HZ3      LYS  54   7.770  -1.178  -1.178
  419    H    ALA  55           HN       ALA  55  13.470  -1.365  -1.365
  420    HA   ALA  55           HA       ALA  55  15.537  -1.656  -1.656
  421   1HB   ALA  55           HB2      ALA  55  15.323  -2.512  -2.512
  422   2HB   ALA  55           HB1      ALA  55  16.575  -3.058  -3.058
  423   3HB   ALA  55           HB3      ALA  55  14.888  -3.483  -3.483
  424    H    GLU  56           HN       GLU  56  14.927   0.583   0.583
  425    HA   GLU  56           HA       GLU  56  17.673   1.700   1.700
  426   1HB   GLU  56           HB2      GLU  56  17.766   2.016   2.016
  427   2HB   GLU  56           HB1      GLU  56  17.685   0.317   0.317
  428   1HG   GLU  56           HG2      GLU  56  15.196   0.411   0.411
  429   2HG   GLU  56           HG1      GLU  56  15.390   2.048   2.048
  430    H    GLY  57           HN       GLY  57  14.503   2.324   2.324
  431   1HA   GLY  57           HA1      GLY  57  13.195   4.274   4.274
  432   2HA   GLY  57           HA2      GLY  57  14.727   5.113   5.113
  433    H    SER  58           HN       SER  58  13.411   3.277   3.277
  434    HA   SER  58           HA       SER  58  14.458   5.170   5.170
  435   1HB   SER  58           HB2      SER  58  14.101   2.744   2.744
  436   2HB   SER  58           HB1      SER  58  12.361   2.989   2.989
  437    HG   SER  58           HG       SER  58  14.048   3.575   3.575
  438    H    GLU  59           HN       GLU  59  12.582   5.708   5.708
  439    HA   GLU  59           HA       GLU  59  10.594   7.405   7.405
  440   1HB   GLU  59           HB2      GLU  59  10.713   8.739   8.739
  441   2HB   GLU  59           HB1      GLU  59  12.266   8.621   8.621
  442   1HG   GLU  59           HG2      GLU  59  13.065   6.993   6.993
  443   2HG   GLU  59           HG1      GLU  59  11.444   6.672   6.672
  444    H    ILE  60           HN       ILE  60  10.983   4.667   4.667
  445    HA   ILE  60           HA       ILE  60   8.576   4.823   4.823
  446    HB   ILE  60           HB       ILE  60   9.150   2.432   2.432
  447   1HG1  ILE  60          HG11      ILE  60  11.545   2.052   2.052
  448   2HG1  ILE  60          HG12      ILE  60  10.596   2.897   2.897
  449   1HG2  ILE  60          HG22      ILE  60  10.609   4.649   4.649
  450   2HG2  ILE  60          HG21      ILE  60  11.840   3.602   3.602
  451   3HG2  ILE  60          HG23      ILE  60  10.859   3.027   3.027
  452   1HD1  ILE  60          HD13      ILE  60   8.741   1.253   1.253
  453   2HD1  ILE  60          HD12      ILE  60   9.842   0.350   0.350
  454   3HD1  ILE  60          HD11      ILE  60  10.203   0.535   0.535
  455    H    ARG  61           HN       ARG  61   6.502   4.341   4.341
  456    HA   ARG  61           HA       ARG  61   6.113   2.739   2.739
  457   1HB   ARG  61           HB2      ARG  61   5.490   5.543   5.543
  458   2HB   ARG  61           HB1      ARG  61   4.087   4.642   4.642
  459   1HG   ARG  61           HG2      ARG  61   5.501   3.801   3.801
  460   2HG   ARG  61           HG1      ARG  61   6.773   4.901   4.901
  461   1HD   ARG  61           HD2      ARG  61   5.709   6.714   6.714
  462   2HD   ARG  61           HD1      ARG  61   4.130   6.188   6.188
  463    HE   ARG  61           HE       ARG  61   4.259   4.435   4.435
  464   1HH1  ARG  61          HH21      ARG  61   6.781   5.205   5.205
  465   2HH1  ARG  61          HH22      ARG  61   6.307   6.357   6.357
  466   1HH2  ARG  61          HH11      ARG  61   3.187   6.935   6.935
  467   2HH2  ARG  61          HH12      ARG  61   4.272   7.337   7.337
  468    H    LEU  62           HN       LEU  62   4.081   1.591   1.591
  469    HA   LEU  62           HA       LEU  62   2.570   1.572   1.572
  470   1HB   LEU  62           HB2      LEU  62   2.490  -0.927  -0.927
  471   2HB   LEU  62           HB1      LEU  62   4.117  -0.303  -0.303
  472    HG   LEU  62           HG       LEU  62   3.118  -0.531  -0.531
  473   1HD1  LEU  62          HD21      LEU  62   3.871  -2.801  -2.801
  474   2HD1  LEU  62          HD23      LEU  62   4.222  -2.895  -2.895
  475   3HD1  LEU  62          HD22      LEU  62   2.557  -2.716  -2.716
  476   1HD2  LEU  62          HD13      LEU  62   5.594  -0.045  -0.045
  477   2HD2  LEU  62          HD12      LEU  62   5.262   0.077   0.077
  478   3HD2  LEU  62          HD11      LEU  62   5.764  -1.465  -1.465
  479    H    ALA  63           HN       ALA  63   0.424   0.294   0.294
  480    HA   ALA  63           HA       ALA  63  -0.641   0.267   0.267
  481   1HB   ALA  63           HB2      ALA  63  -0.480   2.714   2.714
  482   2HB   ALA  63           HB1      ALA  63  -1.852   2.269   2.269
  483   3HB   ALA  63           HB3      ALA  63  -1.992   2.196   2.196
  484    H    LYS  64           HN       LYS  64  -3.230   0.091   0.091
  485    HA   LYS  64           HA       LYS  64  -3.910  -1.420  -1.420
  486   1HB   LYS  64           HB2      LYS  64  -4.736  -3.281  -3.281
  487   2HB   LYS  64           HB1      LYS  64  -3.003  -3.022  -3.022
  488   1HG   LYS  64           HG2      LYS  64  -3.216  -2.180  -2.180
  489   2HG   LYS  64           HG1      LYS  64  -4.814  -1.501  -1.501
  490   1HD   LYS  64           HD2      LYS  64  -5.616  -3.274  -3.274
  491   2HD   LYS  64           HD1      LYS  64  -5.240  -4.218  -4.218
  492   1HE   LYS  64           HE2      LYS  64  -2.998  -3.716  -3.716
  493   2HE   LYS  64           HE1      LYS  64  -4.236  -4.894  -4.894
  494   1HZ   LYS  64           HZ1      LYS  64  -3.988  -5.960  -5.960
  495   2HZ   LYS  64           HZ3      LYS  64  -2.790  -4.844  -4.844
  496   3HZ   LYS  64           HZ2      LYS  64  -2.503  -5.943  -5.943
  497    H    VAL  65           HN       VAL  65  -6.261  -1.667  -1.667
  498    HA   VAL  65           HA       VAL  65  -7.890   0.089   0.089
  499    HB   VAL  65           HB       VAL  65  -7.803   0.012   0.012
  500   1HG1  VAL  65          HG12      VAL  65  -9.578   1.568   1.568
  501   2HG1  VAL  65          HG11      VAL  65  -9.460   1.883   1.883
  502   3HG1  VAL  65          HG13      VAL  65 -10.100   0.343   0.343
  503   1HG2  VAL  65          HG22      VAL  65  -6.609   1.723   1.723
  504   2HG2  VAL  65          HG21      VAL  65  -6.092   1.451   1.451
  505   3HG2  VAL  65          HG23      VAL  65  -7.388   2.596   2.596
  506    H    ASP  66           HN       ASP  66 -10.259  -0.336  -0.336
  507    HA   ASP  66           HA       ASP  66 -10.757  -3.238  -3.238
  508   1HB   ASP  66           HB1      ASP  66 -12.297  -1.142  -1.142
  509   2HB   ASP  66           HB2      ASP  66 -12.700  -2.857  -2.857
  510    H    ALA  67           HN       ALA  67 -11.091  -3.061  -3.061
  511    HA   ALA  67           HA       ALA  67 -12.606  -1.152  -1.152
  512   1HB   ALA  67           HB1      ALA  67 -12.212  -4.134  -4.134
  513   2HB   ALA  67           HB3      ALA  67 -12.957  -3.108  -3.108
  514   3HB   ALA  67           HB2      ALA  67 -11.283  -2.833  -2.833
  515    H    THR  68           HN       THR  68 -13.686  -3.695  -3.695
  516    HA   THR  68           HA       THR  68 -16.480  -3.590  -3.590
  517    HB   THR  68           HB       THR  68 -16.659  -5.105  -5.105
  518    HG1  THR  68           HG1      THR  68 -13.901  -5.419  -5.419
  519   1HG2  THR  68          HG23      THR  68 -15.119  -5.695  -5.695
  520   2HG2  THR  68          HG22      THR  68 -15.402  -6.953  -6.953
  521   3HG2  THR  68          HG21      THR  68 -16.768  -6.159  -6.159
  522    H    GLU  69           HN       GLU  69 -14.459  -2.015  -2.015
  523    HA   GLU  69           HA       GLU  69 -16.848  -0.928  -0.928
  524   1HB   GLU  69           HB1      GLU  69 -14.582  -2.109  -2.109
  525   2HB   GLU  69           HB2      GLU  69 -14.077  -0.419  -0.419
  526   1HG   GLU  69           HG1      GLU  69 -16.780  -1.041  -1.041
  527   2HG   GLU  69           HG2      GLU  69 -15.385  -1.514  -1.514
  528    H    GLU  70           HN       GLU  70 -13.648   0.149   0.149
  529    HA   GLU  70           HA       GLU  70 -14.729   2.920   2.920
  530   1HB   GLU  70           HB2      GLU  70 -11.941   1.724   1.724
  531   2HB   GLU  70           HB1      GLU  70 -12.288   3.447   3.447
  532   1HG   GLU  70           HG1      GLU  70 -12.235   3.580   3.580
  533   2HG   GLU  70           HG2      GLU  70 -13.686   2.579   2.579
  534    H    SER  71           HN       SER  71 -15.673   1.026   1.026
  535    HA   SER  71           HA       SER  71 -14.194   0.852   0.852
  536   1HB   SER  71           HB2      SER  71 -16.573  -0.038  -0.038
  537   2HB   SER  71           HB1      SER  71 -17.138   1.215   1.215
  538    HG   SER  71           HG       SER  71 -16.525   0.034   0.034
  539    H    ASP  72           HN       ASP  72 -15.713   3.596   3.596
  540    HA   ASP  72           HA       ASP  72 -16.539   5.198   5.198
  541   1HB   ASP  72           HB1      ASP  72 -16.165   5.474   5.474
  542   2HB   ASP  72           HB2      ASP  72 -14.851   6.484   6.484
  543    H    LEU  73           HN       LEU  73 -13.215   4.734   4.734
  544    HA   LEU  73           HA       LEU  73 -12.063   6.519   6.519
  545   1HB   LEU  73           HB1      LEU  73 -10.842   4.445   4.445
  546   2HB   LEU  73           HB2      LEU  73  -9.950   5.704   5.704
  547    HG   LEU  73           HG       LEU  73 -12.023   7.064   7.064
  548   1HD1  LEU  73          HD12      LEU  73 -12.004   4.706   4.706
  549   2HD1  LEU  73          HD11      LEU  73 -10.674   5.479   5.479
  550   3HD1  LEU  73          HD13      LEU  73 -12.272   6.224   6.224
  551   1HD2  LEU  73          HD23      LEU  73  -9.071   6.728   6.728
  552   2HD2  LEU  73          HD22      LEU  73 -10.000   8.178   8.178
  553   3HD2  LEU  73          HD21      LEU  73  -9.944   7.577   7.577
  554    H    ALA  74           HN       ALA  74 -12.613   3.050   3.050
  555    HA   ALA  74           HA       ALA  74 -10.953   2.209   2.209
  556   1HB   ALA  74           HB1      ALA  74 -12.864   1.131   1.131
  557   2HB   ALA  74           HB3      ALA  74 -13.084   0.406   0.406
  558   3HB   ALA  74           HB2      ALA  74 -11.514   0.319   0.319
  559    H    GLN  75           HN       GLN  75 -14.343   3.220   3.220
  560    HA   GLN  75           HA       GLN  75 -15.255   2.499   2.499
  561   1HB   GLN  75           HB2      GLN  75 -15.948   4.519   4.519
  562   2HB   GLN  75           HB1      GLN  75 -16.735   4.646   4.646
  563   1HG   GLN  75           HG2      GLN  75 -16.699   1.894   1.894
  564   2HG   GLN  75           HG1      GLN  75 -17.494   2.961   2.961
  565   1HE2  GLN  75          HE22      GLN  75 -19.677   1.814   1.814
  566   2HE2  GLN  75          HE21      GLN  75 -18.432   0.941   0.941
  567    H    GLN  76           HN       GLN  76 -13.368   5.267   5.267
  568    HA   GLN  76           HA       GLN  76 -13.585   6.995   6.995
  569   1HB   GLN  76           HB2      GLN  76 -12.269   6.962   6.962
  570   2HB   GLN  76           HB1      GLN  76 -10.925   6.614   6.614
  571   1HG   GLN  76           HG1      GLN  76 -10.926   8.717   8.717
  572   2HG   GLN  76           HG2      GLN  76 -12.685   8.764   8.764
  573   1HE2  GLN  76          HE22      GLN  76 -12.932  10.794  10.794
  574   2HE2  GLN  76          HE21      GLN  76 -13.583  10.307  10.307
  575    H    TYR  77           HN       TYR  77 -11.603   4.101   4.101
  576    HA   TYR  77           HA       TYR  77 -10.358   4.423   4.423
  577   1HB   TYR  77           HB1      TYR  77 -10.003   2.425   2.425
  578   2HB   TYR  77           HB2      TYR  77  -8.994   2.516   2.516
  579    HD1  TYR  77           HD2      TYR  77  -7.883   4.826   4.826
  580    HD2  TYR  77           HD1      TYR  77  -9.446   3.694   3.694
  581    HE1  TYR  77           HE2      TYR  77  -6.496   6.575   6.575
  582    HE2  TYR  77           HE1      TYR  77  -8.059   5.444   5.444
  583    HH   TYR  77           HH       TYR  77  -6.883   7.405   7.405
  584    H    GLY  78           HN       GLY  78 -12.109   1.896   1.896
  585   1HA   GLY  78           HA1      GLY  78 -14.124   0.930   0.930
  586   2HA   GLY  78           HA2      GLY  78 -13.047   0.802   0.802
  587    H    VAL  79           HN       VAL  79 -12.601   0.040   0.040
  588    HA   VAL  79           HA       VAL  79 -11.454  -2.590  -2.590
  589    HB   VAL  79           HB       VAL  79 -11.443  -1.080  -1.080
  590   1HG1  VAL  79          HG11      VAL  79 -11.032  -3.631  -3.631
  591   2HG1  VAL  79          HG13      VAL  79  -9.532  -3.229  -3.229
  592   3HG1  VAL  79          HG12      VAL  79  -9.817  -2.633  -2.633
  593   1HG2  VAL  79          HG21      VAL  79  -9.907  -0.775  -0.775
  594   2HG2  VAL  79          HG23      VAL  79 -10.020   0.306   0.306
  595   3HG2  VAL  79          HG22      VAL  79  -8.884  -1.041  -1.041
  596    H    ARG  80           HN       ARG  80 -12.283  -4.532  -4.532
  597    HA   ARG  80           HA       ARG  80 -14.351  -4.646  -4.646
  598   1HB   ARG  80           HB2      ARG  80 -16.202  -5.237  -5.237
  599   2HB   ARG  80           HB1      ARG  80 -15.585  -3.626  -3.626
  600   1HG   ARG  80           HG2      ARG  80 -13.997  -4.982  -4.982
  601   2HG   ARG  80           HG1      ARG  80 -15.304  -6.165  -6.165
  602   1HD   ARG  80           HD2      ARG  80 -16.707  -4.864  -4.864
  603   2HD   ARG  80           HD1      ARG  80 -16.228  -3.385  -3.385
  604    HE   ARG  80           HE       ARG  80 -14.153  -4.511  -4.511
  605   1HH1  ARG  80          HH11      ARG  80 -15.524  -1.687  -1.687
  606   2HH1  ARG  80          HH12      ARG  80 -15.622  -0.944  -0.944
  607   1HH2  ARG  80          HH21      ARG  80 -14.828  -3.846  -3.846
  608   2HH2  ARG  80          HH22      ARG  80 -15.228  -2.167  -2.167
  609    H    GLY  81           HN       GLY  81 -11.828  -5.973  -5.973
  610   1HA   GLY  81           HA1      GLY  81 -12.810  -8.777  -8.777
  611   2HA   GLY  81           HA2      GLY  81 -11.639  -8.332  -8.332
  612    H    TYR  82           HN       TYR  82  -9.938  -6.718  -6.718
  613    HA   TYR  82           HA       TYR  82  -7.999  -6.724  -6.724
  614   1HB   TYR  82           HB1      TYR  82  -9.211  -8.069  -8.069
  615   2HB   TYR  82           HB2      TYR  82  -8.534  -6.458  -6.458
  616    HD1  TYR  82           HD1      TYR  82 -10.000  -4.730  -4.730
  617    HD2  TYR  82           HD2      TYR  82 -11.505  -8.254  -8.254
  618    HE1  TYR  82           HE1      TYR  82 -12.272  -3.736  -3.736
  619    HE2  TYR  82           HE2      TYR  82 -13.776  -7.259  -7.259
  620    HH   TYR  82           HH       TYR  82 -14.525  -4.314  -4.314
  621    HA   PRO  83           HA       PRO  83  -6.814  -7.343  -7.343
  622   1HB   PRO  83           HB2      PRO  83  -4.134  -7.877  -7.877
  623   2HB   PRO  83           HB1      PRO  83  -5.301  -8.716  -8.716
  624   1HG   PRO  83           HG2      PRO  83  -4.014  -9.614  -9.614
  625   2HG   PRO  83           HG1      PRO  83  -4.402 -10.538 -10.538
  626   1HD   PRO  83           HD2      PRO  83  -5.890 -10.599 -10.599
  627   2HD   PRO  83           HD1      PRO  83  -6.542 -10.950 -10.950
  628    H    THR  84           HN       THR  84  -6.603  -5.332  -5.332
  629    HA   THR  84           HA       THR  84  -4.966  -5.071  -5.071
  630    HB   THR  84           HB       THR  84  -7.116  -3.187  -3.187
  631    HG1  THR  84           HG1      THR  84  -8.536  -4.649  -4.649
  632   1HG2  THR  84          HG21      THR  84  -5.860  -3.858  -3.858
  633   2HG2  THR  84          HG23      THR  84  -7.359  -2.939  -2.939
  634   3HG2  THR  84          HG22      THR  84  -5.871  -2.305  -2.305
  635    H    ILE  85           HN       ILE  85  -3.004  -4.132  -4.132
  636    HA   ILE  85           HA       ILE  85  -2.911  -2.109  -2.109
  637    HB   ILE  85           HB       ILE  85  -0.712  -3.801  -3.801
  638   1HG1  ILE  85          HG12      ILE  85  -1.187  -4.618  -4.618
  639   2HG1  ILE  85          HG11      ILE  85  -2.797  -4.417  -4.417
  640   1HG2  ILE  85          HG21      ILE  85  -0.834  -2.122  -2.122
  641   2HG2  ILE  85          HG23      ILE  85   0.521  -3.148  -3.148
  642   3HG2  ILE  85          HG22      ILE  85   0.096  -1.746  -1.746
  643   1HD1  ILE  85          HD12      ILE  85  -1.296  -5.671  -5.671
  644   2HD1  ILE  85          HD11      ILE  85  -0.831  -6.488  -6.488
  645   3HD1  ILE  85          HD13      ILE  85  -2.528  -6.420  -6.420
  646    H    LYS  86           HN       LYS  86  -1.806  -0.135  -0.135
  647    HA   LYS  86           HA       LYS  86  -0.787   0.364   0.364
  648   1HB   LYS  86           HB2      LYS  86  -3.359   1.064   1.064
  649   2HB   LYS  86           HB1      LYS  86  -2.428   2.562   2.562
  650   1HG   LYS  86           HG1      LYS  86  -3.095   2.561   2.561
  651   2HG   LYS  86           HG2      LYS  86  -1.654   1.557   1.557
  652   1HD   LYS  86           HD2      LYS  86  -3.480   0.424   0.424
  653   2HD   LYS  86           HD1      LYS  86  -3.120  -0.464  -0.464
  654   1HE   LYS  86           HE2      LYS  86  -5.240  -0.144  -0.144
  655   2HE   LYS  86           HE1      LYS  86  -5.037   1.613   1.613
  656   1HZ   LYS  86           HZ3      LYS  86  -5.419  -0.089  -0.089
  657   2HZ   LYS  86           HZ2      LYS  86  -6.756   0.489   0.489
  658   3HZ   LYS  86           HZ1      LYS  86  -5.671   1.582   1.582
  659    H    PHE  87           HN       PHE  87   0.868   1.915   1.915
  660    HA   PHE  87           HA       PHE  87   1.814   2.836   2.836
  661   1HB   PHE  87           HB1      PHE  87   3.365   1.609   1.609
  662   2HB   PHE  87           HB2      PHE  87   3.041   2.680   2.680
  663    HD1  PHE  87           HD1      PHE  87   4.029   2.987   2.987
  664    HD2  PHE  87           HD2      PHE  87   4.637   4.314   4.314
  665    HE1  PHE  87           HE1      PHE  87   5.822   4.518   4.518
  666    HE2  PHE  87           HE2      PHE  87   6.429   5.843   5.843
  667    HZ   PHE  87           HZ       PHE  87   7.023   5.945   5.945
  668    H    PHE  88           HN       PHE  88   1.525   4.944   4.944
  669    HA   PHE  88           HA       PHE  88   0.724   6.925   6.925
  670   1HB   PHE  88           HB1      PHE  88   0.290   6.585   6.585
  671   2HB   PHE  88           HB2      PHE  88   0.025   8.147   8.147
  672    HD1  PHE  88           HD2      PHE  88  -1.679   8.385   8.385
  673    HD2  PHE  88           HD1      PHE  88  -1.214   4.739   4.739
  674    HE1  PHE  88           HE2      PHE  88  -3.898   7.617   7.617
  675    HE2  PHE  88           HE1      PHE  88  -3.434   3.972   3.972
  676    HZ   PHE  88           HZ       PHE  88  -4.770   5.397   5.397
  677    H    ARG  89           HN       ARG  89   1.927   8.867   8.867
  678    HA   ARG  89           HA       ARG  89   4.462   8.972   8.972
  679   1HB   ARG  89           HB1      ARG  89   4.262   8.543   8.543
  680   2HB   ARG  89           HB2      ARG  89   4.143  10.302  10.302
  681   1HG   ARG  89           HG2      ARG  89   6.279  10.588  10.588
  682   2HG   ARG  89           HG1      ARG  89   6.313   8.946   8.946
  683   1HD   ARG  89           HD2      ARG  89   6.898   8.010   8.010
  684   2HD   ARG  89           HD1      ARG  89   6.132   9.314   9.314
  685    HE   ARG  89           HE       ARG  89   8.288  10.348  10.348
  686   1HH1  ARG  89          HH11      ARG  89   7.251  10.051  10.051
  687   2HH1  ARG  89          HH12      ARG  89   8.818   9.872   9.872
  688   1HH2  ARG  89          HH21      ARG  89  10.457   9.488   9.488
  689   2HH2  ARG  89          HH22      ARG  89  10.631   9.554   9.554
  690    H    ASN  90           HN       ASN  90   3.859  10.444  10.444
  691    HA   ASN  90           HA       ASN  90   3.224  12.516  12.516
  692   1HB   ASN  90           HB1      ASN  90   5.336  12.937  12.937
  693   2HB   ASN  90           HB2      ASN  90   4.340  13.463  13.463
  694   1HD2  ASN  90          HD22      ASN  90   4.166  15.780  15.780
  695   2HD2  ASN  90          HD21      ASN  90   4.281  14.095  14.095
  696    H    GLY  91           HN       GLY  91   0.873  11.733  11.733
  697   1HA   GLY  91           HA2      GLY  91  -1.282  12.254  12.254
  698   2HA   GLY  91           HA1      GLY  91  -0.686  13.908  13.908
  699    H    ASP  92           HN       ASP  92  -0.695  10.819  10.819
  700    HA   ASP  92           HA       ASP  92   0.129  12.028  12.028
  701   1HB   ASP  92           HB1      ASP  92  -0.068   9.491   9.491
  702   2HB   ASP  92           HB2      ASP  92  -1.310   9.481   9.481
  703    H    THR  93           HN       THR  93  -2.957  10.624  10.624
  704    HA   THR  93           HA       THR  93  -5.159  10.873  10.873
  705    HB   THR  93           HB       THR  93  -5.685  13.363  13.363
  706    HG1  THR  93           HG1      THR  93  -4.044  14.767  14.767
  707   1HG2  THR  93          HG23      THR  93  -5.648  11.972  11.972
  708   2HG2  THR  93          HG22      THR  93  -4.031  12.613  12.613
  709   3HG2  THR  93          HG21      THR  93  -5.414  13.705  13.705
  710    H    ALA  94           HN       ALA  94  -3.226  10.189  10.189
  711    HA   ALA  94           HA       ALA  94  -4.797  10.804  10.804
  712   1HB   ALA  94           HB1      ALA  94  -3.322  12.914  12.914
  713   2HB   ALA  94           HB3      ALA  94  -2.108  12.075  12.075
  714   3HB   ALA  94           HB2      ALA  94  -3.634  12.567  12.567
  715    H    SER  95           HN       SER  95  -4.565   8.623   8.623
  716    HA   SER  95           HA       SER  95  -3.515   6.668   6.668
  717   1HB   SER  95           HB2      SER  95  -2.952   8.505   8.505
  718   2HB   SER  95           HB1      SER  95  -1.400   8.667   8.667
  719    HG   SER  95           HG       SER  95  -1.637   7.155   7.155
  720    HA   PRO  96           HA       PRO  96  -0.601   6.596   6.596
  721   1HB   PRO  96           HB2      PRO  96  -1.660   4.354   4.354
  722   2HB   PRO  96           HB1      PRO  96  -2.270   5.988   5.988
  723   1HG   PRO  96           HG2      PRO  96  -3.353   3.869   3.869
  724   2HG   PRO  96           HG1      PRO  96  -4.214   5.018   5.018
  725   1HD   PRO  96           HD2      PRO  96  -3.948   5.318   5.318
  726   2HD   PRO  96           HD1      PRO  96  -4.166   6.672   6.672
  727    H    LYS  97           HN       LYS  97   0.827   4.633   4.633
  728    HA   LYS  97           HA       LYS  97   1.589   3.209   3.209
  729   1HB   LYS  97           HB1      LYS  97   2.824   3.997   3.997
  730   2HB   LYS  97           HB2      LYS  97   3.487   2.576   2.576
  731   1HG   LYS  97           HG2      LYS  97   4.341   3.797   3.797
  732   2HG   LYS  97           HG1      LYS  97   2.993   4.934   4.934
  733   1HD   LYS  97           HD2      LYS  97   3.932   5.855   5.855
  734   2HD   LYS  97           HD1      LYS  97   5.375   4.892   4.892
  735   1HE   LYS  97           HE2      LYS  97   6.018   6.854   6.854
  736   2HE   LYS  97           HE1      LYS  97   5.137   6.108   6.108
  737   1HZ   LYS  97           HZ3      LYS  97   3.804   7.774   7.774
  738   2HZ   LYS  97           HZ2      LYS  97   4.415   8.428   8.428
  739   3HZ   LYS  97           HZ1      LYS  97   3.178   7.264   7.264
  740    H    GLU  98           HN       GLU  98   0.482   1.290   1.290
  741    HA   GLU  98           HA       GLU  98  -0.588  -0.267  -0.267
  742   1HB   GLU  98           HB2      GLU  98  -1.148  -1.825  -1.825
  743   2HB   GLU  98           HB1      GLU  98  -1.524  -0.165  -0.165
  744   1HG   GLU  98           HG1      GLU  98   1.148  -0.503  -0.503
  745   2HG   GLU  98           HG2      GLU  98   0.371  -2.022  -2.022
  746    H    TYR  99           HN       TYR  99   0.074  -2.602  -2.602
  747    HA   TYR  99           HA       TYR  99   3.046  -2.795  -2.795
  748   1HB   TYR  99           HB2      TYR  99   0.828  -3.468  -3.468
  749   2HB   TYR  99           HB1      TYR  99   1.710  -4.949  -4.949
  750    HD1  TYR  99           HD2      TYR  99   4.467  -4.058  -4.058
  751    HD2  TYR  99           HD1      TYR  99   1.483  -2.788  -2.788
  752    HE1  TYR  99           HE2      TYR  99   6.250  -3.405  -3.405
  753    HE2  TYR  99           HE1      TYR  99   3.271  -2.134  -2.134
  754    HH   TYR  99           HH       TYR  99   5.976  -3.124  -3.124
  755    H    THR 100           HN       THR 100   3.936  -3.865  -3.865
  756    HA   THR 100           HA       THR 100   2.358  -5.920  -5.920
  757    HB   THR 100           HB       THR 100   4.166  -5.674  -5.674
  758    HG1  THR 100           HG1      THR 100   5.339  -3.799  -3.799
  759   1HG2  THR 100          HG22      THR 100   2.343  -3.982  -3.982
  760   2HG2  THR 100          HG21      THR 100   3.339  -2.985  -2.985
  761   3HG2  THR 100          HG23      THR 100   3.860  -3.308  -3.308
  762    H    ALA 101           HN       ALA 101   3.581  -6.348  -6.348
  763    HA   ALA 101           HA       ALA 101   5.454  -8.587  -8.587
  764   1HB   ALA 101           HB2      ALA 101   5.784  -6.400  -6.400
  765   2HB   ALA 101           HB1      ALA 101   5.263  -7.633  -7.633
  766   3HB   ALA 101           HB3      ALA 101   6.693  -7.902  -7.902
  767    H    GLY 102           HN       GLY 102   5.273  -9.897  -9.897
  768   1HA   GLY 102           HA2      GLY 102   2.947 -10.474 -10.474
  769   2HA   GLY 102           HA1      GLY 102   2.664 -11.231 -11.231
  770    H    ARG 103           HN       ARG 103   4.948 -11.196 -11.196
  771    HA   ARG 103           HA       ARG 103   5.239 -14.119 -14.119
  772   1HB   ARG 103           HB2      ARG 103   6.817 -12.897 -12.897
  773   2HB   ARG 103           HB1      ARG 103   7.696 -12.376 -12.376
  774   1HG   ARG 103           HG2      ARG 103   8.161 -14.640 -14.640
  775   2HG   ARG 103           HG1      ARG 103   7.036 -15.277 -15.277
  776   1HD   ARG 103           HD2      ARG 103   8.696 -13.808 -13.808
  777   2HD   ARG 103           HD1      ARG 103   9.828 -14.365 -14.365
  778    HE   ARG 103           HE       ARG 103   9.193 -16.667 -16.667
  779   1HH1  ARG 103          HH21      ARG 103   6.754 -14.887 -14.887
  780   2HH1  ARG 103          HH22      ARG 103   6.787 -15.677 -15.677
  781   1HH2  ARG 103          HH11      ARG 103   9.713 -17.416 -17.416
  782   2HH2  ARG 103          HH12      ARG 103   8.462 -17.108 -17.108
  783    H    GLU 104           HN       GLU 104   6.527 -11.145 -11.145
  784    HA   GLU 104           HA       GLU 104   5.911 -12.000 -12.000
  785   1HB   GLU 104           HB2      GLU 104   8.287 -12.421 -12.421
  786   2HB   GLU 104           HB1      GLU 104   7.688 -13.609 -13.609
  787   1HG   GLU 104           HG1      GLU 104   8.961 -12.743 -12.743
  788   2HG   GLU 104           HG2      GLU 104   9.064 -11.142 -11.142
  789    H    ALA 105           HN       ALA 105   7.191 -10.542 -10.542
  790    HA   ALA 105           HA       ALA 105   6.713  -7.836  -7.836
  791   1HB   ALA 105           HB1      ALA 105   7.654  -9.370  -9.370
  792   2HB   ALA 105           HB3      ALA 105   9.157  -8.577  -8.577
  793   3HB   ALA 105           HB2      ALA 105   7.769  -7.610  -7.610
  794    H    ASP 106           HN       ASP 106   9.477  -9.713  -9.713
  795    HA   ASP 106           HA       ASP 106  11.240  -7.533  -7.533
  796   1HB   ASP 106           HB2      ASP 106  10.869 -10.350 -10.350
  797   2HB   ASP 106           HB1      ASP 106  12.168  -9.309  -9.309
  798    H    ASP 107           HN       ASP 107   8.759  -9.199  -9.199
  799    HA   ASP 107           HA       ASP 107   9.220  -7.838  -7.838
  800   1HB   ASP 107           HB1      ASP 107   7.251  -9.558  -9.558
  801   2HB   ASP 107           HB2      ASP 107   6.472  -8.366  -8.366
  802    H    ILE 108           HN       ILE 108   7.905  -6.718  -6.718
  803    HA   ILE 108           HA       ILE 108   6.466  -4.457  -4.457
  804    HB   ILE 108           HB       ILE 108   6.784  -5.567  -5.567
  805   1HG1  ILE 108          HG12      ILE 108   4.491  -5.487  -5.487
  806   2HG1  ILE 108          HG11      ILE 108   5.423  -6.910  -6.910
  807   1HG2  ILE 108          HG23      ILE 108   6.438  -3.009  -3.009
  808   2HG2  ILE 108          HG22      ILE 108   4.842  -3.394  -3.394
  809   3HG2  ILE 108          HG21      ILE 108   5.291  -3.923  -3.923
  810   1HD1  ILE 108          HD13      ILE 108   4.684  -6.332  -6.332
  811   2HD1  ILE 108          HD12      ILE 108   3.452  -5.335  -5.335
  812   3HD1  ILE 108          HD11      ILE 108   3.503  -7.076  -7.076
  813    H    VAL 109           HN       VAL 109   8.934  -4.888  -4.888
  814    HA   VAL 109           HA       VAL 109   9.665  -2.110  -2.110
  815    HB   VAL 109           HB       VAL 109  11.145  -4.655  -4.655
  816   1HG1  VAL 109          HG22      VAL 109  12.220  -2.131  -2.131
  817   2HG1  VAL 109          HG21      VAL 109  11.664  -2.165  -2.165
  818   3HG1  VAL 109          HG23      VAL 109  12.796  -3.388  -3.388
  819   1HG2  VAL 109          HG11      VAL 109   8.774  -3.780  -3.780
  820   2HG2  VAL 109          HG13      VAL 109   9.964  -4.660  -4.660
  821   3HG2  VAL 109          HG12      VAL 109   9.894  -2.899  -2.899
  822    H    ASN 110           HN       ASN 110  10.865  -4.845  -4.845
  823    HA   ASN 110           HA       ASN 110  13.214  -3.533  -3.533
  824   1HB   ASN 110           HB2      ASN 110  12.425  -6.010  -6.010
  825   2HB   ASN 110           HB1      ASN 110  11.559  -5.599  -5.599
  826   1HD2  ASN 110          HD22      ASN 110  15.205  -6.735  -6.735
  827   2HD2  ASN 110          HD21      ASN 110  14.045  -7.343  -7.343
  828    H    TRP 111           HN       TRP 111   9.856  -3.726  -3.726
  829    HA   TRP 111           HA       TRP 111  10.211  -2.472  -2.472
  830   1HB   TRP 111           HB2      TRP 111   8.203  -3.682  -3.682
  831   2HB   TRP 111           HB1      TRP 111   7.895  -2.376  -2.376
  832    HD1  TRP 111           HD1      TRP 111   7.517  -3.328  -3.328
  833    HE1  TRP 111           HE1      TRP 111   6.276  -1.451  -1.451
  834    HE3  TRP 111           HE3      TRP 111   7.551   0.310   0.310
  835    HZ2  TRP 111           HZ2      TRP 111   5.410   1.238   1.238
  836    HZ3  TRP 111           HZ3      TRP 111   6.513   2.517   2.517
  837    HH2  TRP 111           HH2      TRP 111   5.444   2.985   2.985
  838    H    LEU 112           HN       LEU 112   9.376  -1.047  -1.047
  839    HA   LEU 112           HA       LEU 112   9.401   1.662   1.662
  840   1HB   LEU 112           HB1      LEU 112   9.204   2.281   2.281
  841   2HB   LEU 112           HB2      LEU 112   8.032   1.058   1.058
  842    HG   LEU 112           HG       LEU 112   9.965  -0.573  -0.573
  843   1HD1  LEU 112          HD13      LEU 112  10.923   2.011   2.011
  844   2HD1  LEU 112          HD12      LEU 112  10.477   1.162   1.162
  845   3HD1  LEU 112          HD11      LEU 112  11.644   0.445   0.445
  846   1HD2  LEU 112          HD22      LEU 112   7.742   0.828   0.828
  847   2HD2  LEU 112          HD21      LEU 112   8.005  -0.900  -0.900
  848   3HD2  LEU 112          HD23      LEU 112   8.874  -0.040  -0.040
  849    H    LYS 113           HN       LYS 113  11.784  -0.225  -0.225
  850    HA   LYS 113           HA       LYS 113  13.649   1.971   1.971
  851   1HB   LYS 113           HB2      LYS 113  13.395  -0.737  -0.737
  852   2HB   LYS 113           HB1      LYS 113  14.940  -0.602  -0.602
  853   1HG   LYS 113           HG2      LYS 113  15.747   1.013   1.013
  854   2HG   LYS 113           HG1      LYS 113  14.127   1.461   1.461
  855   1HD   LYS 113           HD2      LYS 113  13.965  -0.957  -0.957
  856   2HD   LYS 113           HD1      LYS 113  15.717  -1.005  -1.005
  857   1HE   LYS 113           HE2      LYS 113  14.482   1.323   1.323
  858   2HE   LYS 113           HE1      LYS 113  14.715  -0.215  -0.215
  859   1HZ   LYS 113           HZ3      LYS 113  16.821   1.152   1.152
  860   2HZ   LYS 113           HZ2      LYS 113  16.683   1.263   1.263
  861   3HZ   LYS 113           HZ1      LYS 113  17.011  -0.234  -0.234
  862    H    LYS 114           HN       LYS 114  12.943  -0.280  -0.280
  863    HA   LYS 114           HA       LYS 114  15.405  -0.269  -0.269
  864   1HB   LYS 114           HB2      LYS 114  13.502  -1.727  -1.727
  865   2HB   LYS 114           HB1      LYS 114  12.524  -0.331  -0.331
  866   1HG   LYS 114           HG2      LYS 114  14.089   0.180   0.180
  867   2HG   LYS 114           HG1      LYS 114  15.074  -1.212  -1.212
  868   1HD   LYS 114           HD2      LYS 114  13.787  -2.278  -2.278
  869   2HD   LYS 114           HD1      LYS 114  12.652  -2.407  -2.407
  870   1HE   LYS 114           HE2      LYS 114  11.161  -1.084  -1.084
  871   2HE   LYS 114           HE1      LYS 114  12.388   0.178   0.178
  872   1HZ   LYS 114           HZ3      LYS 114  12.356  -2.312  -2.312
  873   2HZ   LYS 114           HZ2      LYS 114  11.525  -0.913  -0.913
  874   3HZ   LYS 114           HZ1      LYS 114  13.214  -0.882  -0.882
  875    H    ARG 115           HN       ARG 115  13.104   2.281   2.281
  876    HA   ARG 115           HA       ARG 115  13.880   3.834   3.834
  877   1HB   ARG 115           HB2      ARG 115  12.305   4.525   4.525
  878   2HB   ARG 115           HB1      ARG 115  12.350   5.485   5.485
  879   1HG   ARG 115           HG2      ARG 115  11.661   2.638   2.638
  880   2HG   ARG 115           HG1      ARG 115  10.470   3.573   3.573
  881   1HD   ARG 115           HD2      ARG 115  10.341   5.231   5.231
  882   2HD   ARG 115           HD1      ARG 115  11.608   4.374   4.374
  883    HE   ARG 115           HE       ARG 115   9.319   2.701   2.701
  884   1HH1  ARG 115          HH21      ARG 115  11.376   2.839   2.839
  885   2HH1  ARG 115          HH22      ARG 115  10.237   3.019   3.019
  886   1HH2  ARG 115          HH11      ARG 115   7.576   3.762   3.762
  887   2HH2  ARG 115          HH12      ARG 115   8.086   3.543   3.543
  888    H    THR 116           HN       THR 116  14.277   4.244   4.244
  889    HA   THR 116           HA       THR 116  16.401   6.270   6.270
  890    HB   THR 116           HB       THR 116  16.107   6.614   6.614
  891    HG1  THR 116           HG1      THR 116  14.343   5.461   5.461
  892   1HG2  THR 116          HG21      THR 116  13.918   6.802   6.802
  893   2HG2  THR 116          HG23      THR 116  13.467   7.051   7.051
  894   3HG2  THR 116          HG22      THR 116  14.695   8.075   8.075
  895    H    GLY 117           HN       GLY 117  16.136   3.828   3.828
  896   1HA   GLY 117           HA1      GLY 117  18.898   3.430   3.430
  897   2HA   GLY 117           HA2      GLY 117  17.681   2.225   2.225
  898    HA   PRO 118           HA       PRO 118  20.239   0.936   0.936
  899   1HB   PRO 118           HB1      PRO 118  21.736  -1.031  -1.031
  900   2HB   PRO 118           HB2      PRO 118  22.275   0.654   0.654
  901   1HG   PRO 118           HG2      PRO 118  21.083  -0.800  -0.800
  902   2HG   PRO 118           HG1      PRO 118  22.383   0.400   0.400
  903   1HD   PRO 118           HD2      PRO 118  19.819   0.974   0.974
  904   2HD   PRO 118           HD1      PRO 118  20.929   2.167   2.167
  905    H    ALA 119           HN       ALA 119  20.302  -1.481  -1.481
  906    HA   ALA 119           HA       ALA 119  17.666  -2.669  -2.669
  907   1HB   ALA 119           HB1      ALA 119  19.829  -3.056  -3.056
  908   2HB   ALA 119           HB3      ALA 119  18.462  -4.165  -4.165
  909   3HB   ALA 119           HB2      ALA 119  18.185  -2.459  -2.459
  910    H    ALA 120           HN       ALA 120  20.653  -4.417  -4.417
  911    HA   ALA 120           HA       ALA 120  20.374  -5.934  -5.934
  912   1HB   ALA 120           HB2      ALA 120  19.439  -7.130  -7.130
  913   2HB   ALA 120           HB1      ALA 120  21.003  -6.992  -6.992
  914   3HB   ALA 120           HB3      ALA 120  20.848  -7.964  -7.964

  Start of MODEL   31
    1   1H    ASP   1           HT2      ASP   1  -8.083  13.107  13.107
    2   2H    ASP   1           HT1      ASP   1  -8.266  12.424  12.424
    3   3H    ASP   1           HT3      ASP   1  -9.604  13.101  13.101
    4    HA   ASP   1           HA       ASP   1  -9.614  11.377  11.377
    5   1HB   ASP   1           HB1      ASP   1  -9.946   9.461   9.461
    6   2HB   ASP   1           HB2      ASP   1  -9.304  10.521  10.521
    7    H    ALA   2           HN       ALA   2  -8.701   9.024   9.024
    8    HA   ALA   2           HA       ALA   2  -5.733   9.251   9.251
    9   1HB   ALA   2           HB1      ALA   2  -7.223   8.805   8.805
   10   2HB   ALA   2           HB3      ALA   2  -7.605   7.243   7.243
   11   3HB   ALA   2           HB2      ALA   2  -5.948   7.610   7.610
   12    HA   PRO   3           HA       PRO   3  -5.906   6.329   6.329
   13   1HB   PRO   3           HB2      PRO   3  -3.231   6.415   6.415
   14   2HB   PRO   3           HB1      PRO   3  -4.379   7.653   7.653
   15   1HG   PRO   3           HG2      PRO   3  -2.466   7.706   7.706
   16   2HG   PRO   3           HG1      PRO   3  -2.917   8.999   8.999
   17   1HD   PRO   3           HD1      PRO   3  -3.899   8.794   8.794
   18   2HD   PRO   3           HD2      PRO   3  -4.772   9.575   9.575
   19    H    GLU   4           HN       GLU   4  -4.987   4.151   4.151
   20    HA   GLU   4           HA       GLU   4  -3.641   3.052   3.052
   21   1HB   GLU   4           HB2      GLU   4  -6.262   2.689   2.689
   22   2HB   GLU   4           HB1      GLU   4  -5.481   1.290   1.290
   23   1HG   GLU   4           HG1      GLU   4  -4.403   1.631   1.631
   24   2HG   GLU   4           HG2      GLU   4  -6.162   1.678   1.678
   25    H    GLU   5           HN       GLU   5  -2.626   0.854   0.854
   26    HA   GLU   5           HA       GLU   5  -1.764   0.638   0.638
   27   1HB   GLU   5           HB1      GLU   5   0.557   0.284   0.284
   28   2HB   GLU   5           HB2      GLU   5  -0.074   1.899   1.899
   29   1HG   GLU   5           HG1      GLU   5  -0.789  -0.013  -0.013
   30   2HG   GLU   5           HG2      GLU   5   0.957   0.140   0.140
   31    H    GLU   6           HN       GLU   6  -0.953  -1.534  -1.534
   32    HA   GLU   6           HA       GLU   6  -1.923  -3.636  -3.636
   33   1HB   GLU   6           HB1      GLU   6  -2.262  -3.128  -3.128
   34   2HB   GLU   6           HB2      GLU   6  -2.037  -4.812  -4.812
   35   1HG   GLU   6           HG2      GLU   6  -3.905  -4.672  -4.672
   36   2HG   GLU   6           HG1      GLU   6  -4.082  -2.947  -2.947
   37    H    ASP   7           HN       ASP   7   0.189  -3.965  -3.965
   38    HA   ASP   7           HA       ASP   7   2.342  -4.929  -4.929
   39   1HB   ASP   7           HB2      ASP   7   0.843  -6.288  -6.288
   40   2HB   ASP   7           HB1      ASP   7   2.579  -6.586  -6.586
   41    H    HIS   8           HN       HIS   8   3.161  -2.694  -2.694
   42    HA   HIS   8           HA       HIS   8   4.598  -1.258  -1.258
   43   1HB   HIS   8           HB1      HIS   8   5.246  -4.044  -4.044
   44   2HB   HIS   8           HB2      HIS   8   6.137  -2.654  -2.654
   45    HD1  HIS   8           HD1      HIS   8   7.456  -1.203  -1.203
   46    HD2  HIS   8           HD2      HIS   8   5.915  -4.796  -4.796
   47    HE1  HIS   8           HE1      HIS   8   8.604  -1.633  -1.633
   48    H    VAL   9           HN       VAL   9   1.844  -1.990  -1.990
   49    HA   VAL   9           HA       VAL   9   2.473  -1.032  -1.032
   50    HB   VAL   9           HB       VAL   9   0.328  -3.009  -3.009
   51   1HG1  VAL   9          HG12      VAL   9   1.086  -1.658  -1.658
   52   2HG1  VAL   9          HG11      VAL   9   0.602  -3.352  -3.352
   53   3HG1  VAL   9          HG13      VAL   9  -0.505  -2.157  -2.157
   54   1HG2  VAL   9          HG21      VAL   9   3.154  -3.358  -3.358
   55   2HG2  VAL   9          HG23      VAL   9   1.963  -4.563  -4.563
   56   3HG2  VAL   9          HG22      VAL   9   2.195  -4.201  -4.201
   57    H    LEU  10           HN       LEU  10   0.663   0.231   0.231
   58    HA   LEU  10           HA       LEU  10  -0.888   1.660   1.660
   59   1HB   LEU  10           HB1      LEU  10   0.760   2.430   2.430
   60   2HB   LEU  10           HB2      LEU  10  -0.883   2.900   2.900
   61    HG   LEU  10           HG       LEU  10  -0.776   3.654   3.654
   62   1HD1  LEU  10          HD12      LEU  10   1.960   4.038   4.038
   63   2HD1  LEU  10          HD11      LEU  10   1.398   4.934   4.934
   64   3HD1  LEU  10          HD13      LEU  10   1.580   3.182   3.182
   65   1HD2  LEU  10          HD23      LEU  10  -1.202   4.835   4.835
   66   2HD2  LEU  10          HD22      LEU  10  -1.195   5.707   5.707
   67   3HD2  LEU  10          HD21      LEU  10   0.258   5.670   5.670
   68    H    VAL  11           HN       VAL  11  -3.092   2.372   2.372
   69    HA   VAL  11           HA       VAL  11  -4.415   0.619   0.619
   70    HB   VAL  11           HB       VAL  11  -4.744  -0.292  -0.292
   71   1HG1  VAL  11          HG22      VAL  11  -4.820   2.487   2.487
   72   2HG1  VAL  11          HG21      VAL  11  -6.341   1.752   1.752
   73   3HG1  VAL  11          HG23      VAL  11  -4.808   1.097   1.097
   74   1HG2  VAL  11          HG13      VAL  11  -6.714   0.191   0.191
   75   2HG2  VAL  11          HG12      VAL  11  -6.989  -0.655  -0.655
   76   3HG2  VAL  11          HG11      VAL  11  -7.355   1.065   1.065
   77    H    LEU  12           HN       LEU  12  -5.915   1.744   1.744
   78    HA   LEU  12           HA       LEU  12  -6.185   4.663   4.663
   79   1HB   LEU  12           HB1      LEU  12  -6.419   2.847   2.847
   80   2HB   LEU  12           HB2      LEU  12  -7.139   4.451   4.451
   81    HG   LEU  12           HG       LEU  12  -4.864   4.522   4.522
   82   1HD1  LEU  12          HD11      LEU  12  -5.907   6.226   6.226
   83   2HD1  LEU  12          HD13      LEU  12  -4.368   5.798   5.798
   84   3HD1  LEU  12          HD12      LEU  12  -4.396   6.510   6.510
   85   1HD2  LEU  12          HD23      LEU  12  -4.080   2.545   2.545
   86   2HD2  LEU  12          HD22      LEU  12  -2.947   3.889   3.889
   87   3HD2  LEU  12          HD21      LEU  12  -3.899   3.683   3.683
   88    H    ARG  13           HN       ARG  13  -8.394   5.467   5.467
   89    HA   ARG  13           HA       ARG  13 -10.703   3.762   3.762
   90   1HB   ARG  13           HB1      ARG  13 -11.277   4.180   4.180
   91   2HB   ARG  13           HB2      ARG  13  -9.563   4.528   4.528
   92   1HG   ARG  13           HG2      ARG  13  -9.992   6.922   6.922
   93   2HG   ARG  13           HG1      ARG  13 -11.704   6.598   6.598
   94   1HD   ARG  13           HD2      ARG  13 -10.548   5.489   5.489
   95   2HD   ARG  13           HD1      ARG  13 -10.705   7.255   7.255
   96    HE   ARG  13           HE       ARG  13 -13.011   5.489   5.489
   97   1HH1  ARG  13          HH11      ARG  13 -13.793   8.186   8.186
   98   2HH1  ARG  13          HH12      ARG  13 -14.297   8.665   8.665
   99   1HH2  ARG  13          HH21      ARG  13 -12.699   6.032   6.032
  100   2HH2  ARG  13          HH22      ARG  13 -13.678   7.447   7.447
  101    H    LYS  14           HN       LYS  14 -12.752   5.338   5.338
  102    HA   LYS  14           HA       LYS  14 -13.064   6.735   6.735
  103   1HB   LYS  14           HB1      LYS  14 -14.222   7.305   7.305
  104   2HB   LYS  14           HB2      LYS  14 -14.902   7.904   7.904
  105   1HG   LYS  14           HG2      LYS  14 -14.654   5.267   5.267
  106   2HG   LYS  14           HG1      LYS  14 -14.943   5.166   5.166
  107   1HD   LYS  14           HD1      LYS  14 -16.819   7.001   7.001
  108   2HD   LYS  14           HD2      LYS  14 -16.757   6.063   6.063
  109   1HE   LYS  14           HE2      LYS  14 -17.838   4.316   4.316
  110   2HE   LYS  14           HE1      LYS  14 -16.760   4.351   4.351
  111   1HZ   LYS  14           HZ3      LYS  14 -17.989   6.470   6.470
  112   2HZ   LYS  14           HZ2      LYS  14 -19.169   5.994   5.994
  113   3HZ   LYS  14           HZ1      LYS  14 -18.829   5.013   5.013
  114    H    SER  15           HN       SER  15 -12.029   8.288   8.288
  115    HA   SER  15           HA       SER  15 -11.321  10.718  10.718
  116   1HB   SER  15           HB2      SER  15 -12.206  10.132  10.132
  117   2HB   SER  15           HB1      SER  15 -11.259  11.590  11.590
  118    HG   SER  15           HG       SER  15 -13.592  11.818  11.818
  119    H    ASN  16           HN       ASN  16  -9.750   8.035   8.035
  120    HA   ASN  16           HA       ASN  16  -7.371   9.505   9.505
  121   1HB   ASN  16           HB2      ASN  16  -8.265   7.542   7.542
  122   2HB   ASN  16           HB1      ASN  16  -8.033   6.555   6.555
  123   1HD2  ASN  16          HD22      ASN  16  -4.987   5.806   5.806
  124   2HD2  ASN  16          HD21      ASN  16  -6.600   5.306   5.306
  125    H    PHE  17           HN       PHE  17  -8.530   8.556   8.556
  126    HA   PHE  17           HA       PHE  17  -6.158   7.421   7.421
  127   1HB   PHE  17           HB2      PHE  17  -8.502   7.211   7.211
  128   2HB   PHE  17           HB1      PHE  17  -8.505   8.931   8.931
  129    HD1  PHE  17           HD2      PHE  17  -6.756   9.824   9.824
  130    HD2  PHE  17           HD1      PHE  17  -7.598   5.639   5.639
  131    HE1  PHE  17           HE2      PHE  17  -5.704   9.363   9.363
  132    HE2  PHE  17           HE1      PHE  17  -6.544   5.177   5.177
  133    HZ   PHE  17           HZ       PHE  17  -5.599   7.041   7.041
  134    H    ALA  18           HN       ALA  18  -7.661  10.640  10.640
  135    HA   ALA  18           HA       ALA  18  -5.484  11.844  11.844
  136   1HB   ALA  18           HB3      ALA  18  -7.903  12.690  12.690
  137   2HB   ALA  18           HB2      ALA  18  -6.694  13.933  13.933
  138   3HB   ALA  18           HB1      ALA  18  -7.439  13.055  13.055
  139    H    GLU  19           HN       GLU  19  -5.781  11.009  11.009
  140    HA   GLU  19           HA       GLU  19  -3.939  13.045  13.045
  141   1HB   GLU  19           HB1      GLU  19  -5.816  11.942  11.942
  142   2HB   GLU  19           HB2      GLU  19  -4.896  10.439  10.439
  143   1HG   GLU  19           HG2      GLU  19  -3.074  11.447  11.447
  144   2HG   GLU  19           HG1      GLU  19  -3.834  13.037  13.037
  145    H    ALA  20           HN       ALA  20  -3.762   9.469   9.469
  146    HA   ALA  20           HA       ALA  20  -1.042   9.136   9.136
  147   1HB   ALA  20           HB1      ALA  20  -2.867   7.411   7.411
  148   2HB   ALA  20           HB3      ALA  20  -2.628   7.622   7.622
  149   3HB   ALA  20           HB2      ALA  20  -1.317   6.997   6.997
  150    H    LEU  21           HN       LEU  21  -2.535   9.792   9.792
  151    HA   LEU  21           HA       LEU  21  -0.142   9.682   9.682
  152   1HB   LEU  21           HB2      LEU  21  -2.932  10.475  10.475
  153   2HB   LEU  21           HB1      LEU  21  -1.883  11.544  11.544
  154    HG   LEU  21           HG       LEU  21  -0.963   8.870   8.870
  155   1HD1  LEU  21          HD11      LEU  21  -3.892   9.150   9.150
  156   2HD1  LEU  21          HD13      LEU  21  -3.337   8.396   8.396
  157   3HD1  LEU  21          HD12      LEU  21  -2.892   7.698   7.698
  158   1HD2  LEU  21          HD22      LEU  21  -2.267  11.011  11.011
  159   2HD2  LEU  21          HD21      LEU  21  -0.594  10.452  10.452
  160   3HD2  LEU  21          HD23      LEU  21  -1.875   9.441   9.441
  161    H    ALA  22           HN       ALA  22  -1.837  12.496  12.496
  162    HA   ALA  22           HA       ALA  22   0.367  14.304  14.304
  163   1HB   ALA  22           HB2      ALA  22  -2.382  14.446  14.446
  164   2HB   ALA  22           HB1      ALA  22  -1.540  15.341  15.341
  165   3HB   ALA  22           HB3      ALA  22  -1.320  15.788  15.788
  166    H    ALA  23           HN       ALA  23  -0.002  12.035  12.035
  167    HA   ALA  23           HA       ALA  23   1.243  13.658  13.658
  168   1HB   ALA  23           HB2      ALA  23   0.270  10.786  10.786
  169   2HB   ALA  23           HB1      ALA  23   0.838  11.555  11.555
  170   3HB   ALA  23           HB3      ALA  23  -0.625  12.141  12.141
  171    H    HIS  24           HN       HIS  24   2.133  11.432  11.432
  172    HA   HIS  24           HA       HIS  24   4.947  11.469  11.469
  173   1HB   HIS  24           HB2      HIS  24   3.303   9.030   9.030
  174   2HB   HIS  24           HB1      HIS  24   5.042   9.002   9.002
  175    HD1  HIS  24           HD1      HIS  24   5.656  10.215  10.215
  176    HD2  HIS  24           HD2      HIS  24   1.906   8.455   8.455
  177    HE1  HIS  24           HE1      HIS  24   4.764   9.792   9.792
  178    H    LYS  25           HN       LYS  25   6.138   9.964   9.964
  179    HA   LYS  25           HA       LYS  25   5.527  11.506  11.506
  180   1HB   LYS  25           HB1      LYS  25   7.888  10.078  10.078
  181   2HB   LYS  25           HB2      LYS  25   7.851  10.382  10.382
  182   1HG   LYS  25           HG1      LYS  25   7.166  12.823  12.823
  183   2HG   LYS  25           HG2      LYS  25   7.971  12.338  12.338
  184   1HD   LYS  25           HD2      LYS  25   9.334  11.839  11.839
  185   2HD   LYS  25           HD1      LYS  25   9.363  13.462  13.462
  186   1HE   LYS  25           HE2      LYS  25   9.965  11.784  11.784
  187   2HE   LYS  25           HE1      LYS  25  10.888  11.117  11.117
  188   1HZ   LYS  25           HZ2      LYS  25  11.538  13.448  13.448
  189   2HZ   LYS  25           HZ1      LYS  25  10.849  13.934  13.934
  190   3HZ   LYS  25           HZ3      LYS  25  12.173  12.876  12.876
  191    H    TYR  26           HN       TYR  26   6.964   8.260   8.260
  192    HA   TYR  26           HA       TYR  26   5.348   7.273   7.273
  193   1HB   TYR  26           HB2      TYR  26   7.504   6.123   6.123
  194   2HB   TYR  26           HB1      TYR  26   6.761   5.209   5.209
  195    HD1  TYR  26           HD2      TYR  26   6.896   6.124   6.124
  196    HD2  TYR  26           HD1      TYR  26   9.189   7.743   7.743
  197    HE1  TYR  26           HE2      TYR  26   8.423   7.214   7.214
  198    HE2  TYR  26           HE1      TYR  26  10.716   8.834   8.834
  199    HH   TYR  26           HH       TYR  26  10.500   8.193   8.193
  200    H    LEU  27           HN       LEU  27   3.237   6.750   6.750
  201    HA   LEU  27           HA       LEU  27   2.787   5.298   5.298
  202   1HB   LEU  27           HB1      LEU  27   1.211   7.237   7.237
  203   2HB   LEU  27           HB2      LEU  27   0.369   6.160   6.160
  204    HG   LEU  27           HG       LEU  27   0.864   8.301   8.301
  205   1HD1  LEU  27          HD12      LEU  27   1.174   5.902   5.902
  206   2HD1  LEU  27          HD11      LEU  27   2.852   6.434   6.434
  207   3HD1  LEU  27          HD13      LEU  27   1.572   7.371   7.371
  208   1HD2  LEU  27          HD23      LEU  27   3.078   8.408   8.408
  209   2HD2  LEU  27          HD22      LEU  27   2.927   9.310   9.310
  210   3HD2  LEU  27          HD21      LEU  27   3.794   7.774   7.774
  211    H    LEU  28           HN       LEU  28   2.301   3.163   3.163
  212    HA   LEU  28           HA       LEU  28   1.311   2.180   2.180
  213   1HB   LEU  28           HB1      LEU  28   3.338   1.347   1.347
  214   2HB   LEU  28           HB2      LEU  28   2.028   0.339   0.339
  215    HG   LEU  28           HG       LEU  28   3.239  -0.791  -0.791
  216   1HD1  LEU  28          HD23      LEU  28   0.577  -0.714  -0.714
  217   2HD1  LEU  28          HD22      LEU  28   0.645  -0.052  -0.052
  218   3HD1  LEU  28          HD21      LEU  28   1.318  -1.647  -1.647
  219   1HD2  LEU  28          HD11      LEU  28   3.065   1.835   1.835
  220   2HD2  LEU  28          HD13      LEU  28   3.971   0.436   0.436
  221   3HD2  LEU  28          HD12      LEU  28   2.298   0.674   0.674
  222    H    VAL  29           HN       VAL  29  -0.788   1.404   1.404
  223    HA   VAL  29           HA       VAL  29  -2.281   0.923   0.923
  224    HB   VAL  29           HB       VAL  29  -3.254   2.379   2.379
  225   1HG1  VAL  29          HG22      VAL  29  -4.866   1.042   1.042
  226   2HG1  VAL  29          HG21      VAL  29  -4.579   2.373   2.373
  227   3HG1  VAL  29          HG23      VAL  29  -5.288   2.690   2.690
  228   1HG2  VAL  29          HG11      VAL  29  -2.322   3.365   3.365
  229   2HG2  VAL  29          HG13      VAL  29  -1.642   3.768   3.768
  230   3HG2  VAL  29          HG12      VAL  29  -3.242   4.360   4.360
  231    H    GLU  30           HN       GLU  30  -3.177  -1.095  -1.095
  232    HA   GLU  30           HA       GLU  30  -3.557  -2.449  -2.449
  233   1HB   GLU  30           HB1      GLU  30  -1.985  -3.501  -3.501
  234   2HB   GLU  30           HB2      GLU  30  -3.194  -3.483  -3.483
  235   1HG   GLU  30           HG1      GLU  30  -4.629  -4.989  -4.989
  236   2HG   GLU  30           HG2      GLU  30  -3.482  -4.961  -4.961
  237    H    PHE  31           HN       PHE  31  -5.667  -2.445  -2.445
  238    HA   PHE  31           HA       PHE  31  -7.866  -2.127  -2.127
  239   1HB   PHE  31           HB2      PHE  31  -7.610  -2.315  -2.315
  240   2HB   PHE  31           HB1      PHE  31  -9.167  -2.159  -2.159
  241    HD1  PHE  31           HD2      PHE  31  -5.826  -0.537  -0.537
  242    HD2  PHE  31           HD1      PHE  31  -9.943  -0.046  -0.046
  243    HE1  PHE  31           HE2      PHE  31  -5.487   1.913   1.913
  244    HE2  PHE  31           HE1      PHE  31  -9.603   2.404   2.404
  245    HZ   PHE  31           HZ       PHE  31  -7.385   3.387   3.387
  246    H    TYR  32           HN       TYR  32  -8.296  -4.067  -4.067
  247    HA   TYR  32           HA       TYR  32  -8.823  -6.452  -6.452
  248   1HB   TYR  32           HB2      TYR  32  -7.596  -7.831  -7.831
  249   2HB   TYR  32           HB1      TYR  32  -6.589  -6.410  -6.410
  250    HD1  TYR  32           HD2      TYR  32  -6.551  -4.582  -4.582
  251    HD2  TYR  32           HD1      TYR  32  -8.495  -8.345  -8.345
  252    HE1  TYR  32           HE2      TYR  32  -6.544  -4.123  -4.123
  253    HE2  TYR  32           HE1      TYR  32  -8.490  -7.885  -7.885
  254    HH   TYR  32           HH       TYR  32  -8.330  -5.266  -5.266
  255    H    ALA  33           HN       ALA  33 -10.216  -8.102  -8.102
  256    HA   ALA  33           HA       ALA  33 -12.066  -6.752  -6.752
  257   1HB   ALA  33           HB3      ALA  33 -12.489  -7.648  -7.648
  258   2HB   ALA  33           HB2      ALA  33 -13.448  -8.659  -8.659
  259   3HB   ALA  33           HB1      ALA  33 -13.653  -6.907  -6.907
  260    HA   PRO  34           HA       PRO  34 -11.686 -10.438 -10.438
  261   1HB   PRO  34           HB2      PRO  34 -14.247 -10.817 -10.817
  262   2HB   PRO  34           HB1      PRO  34 -13.172  -9.551  -9.551
  263   1HG   PRO  34           HG2      PRO  34 -15.362  -9.359  -9.359
  264   2HG   PRO  34           HG1      PRO  34 -14.956  -8.254  -8.254
  265   1HD   PRO  34           HD1      PRO  34 -14.258  -7.754  -7.754
  266   2HD   PRO  34           HD2      PRO  34 -13.264  -7.239  -7.239
  267    H    TRP  35           HN       TRP  35 -14.131 -10.273 -10.273
  268    HA   TRP  35           HA       TRP  35 -14.318 -13.241 -13.241
  269   1HB   TRP  35           HB2      TRP  35 -16.222 -12.764 -12.764
  270   2HB   TRP  35           HB1      TRP  35 -16.356 -11.807 -11.807
  271    HD1  TRP  35           HD1      TRP  35 -16.083  -9.200  -9.200
  272    HE1  TRP  35           HE1      TRP  35 -16.047  -7.578  -7.578
  273    HE3  TRP  35           HE3      TRP  35 -15.469 -12.529 -12.529
  274    HZ2  TRP  35           HZ2      TRP  35 -15.793  -7.678  -7.678
  275    HZ3  TRP  35           HZ3      TRP  35 -15.335 -11.741 -11.741
  276    HH2  TRP  35           HH2      TRP  35 -15.496  -9.321  -9.321
  277    H    CYS  36           HN       CYS  36 -12.237 -10.963 -10.963
  278    HA   CYS  36           HA       CYS  36 -12.024 -11.195 -11.195
  279   1HB   CYS  36           HB2      CYS  36 -10.591  -9.797  -9.797
  280   2HB   CYS  36           HB1      CYS  36  -9.943 -11.193 -11.193
  281    H    GLY  37           HN       GLY  37  -9.877 -13.203 -13.203
  282   1HA   GLY  37           HA2      GLY  37 -10.567 -15.769 -15.769
  283   2HA   GLY  37           HA1      GLY  37  -9.911 -15.284 -15.284
  284    H    HIS  38           HN       HIS  38  -7.872 -16.064 -16.064
  285    HA   HIS  38           HA       HIS  38  -6.182 -16.424 -16.424
  286   1HB   HIS  38           HB2      HIS  38  -6.002 -17.115 -17.115
  287   2HB   HIS  38           HB1      HIS  38  -4.683 -17.443 -17.443
  288    HD1  HIS  38           HD1      HIS  38  -6.409 -19.692 -19.692
  289    HD2  HIS  38           HD2      HIS  38  -6.971 -18.333 -18.333
  290    HE1  HIS  38           HE1      HIS  38  -7.608 -21.547 -21.547
  291    H    CYS  39           HN       CYS  39  -6.853 -13.709 -13.709
  292    HA   CYS  39           HA       CYS  39  -4.275 -12.769 -12.769
  293   1HB   CYS  39           HB2      CYS  39  -5.492 -10.617 -10.617
  294   2HB   CYS  39           HB1      CYS  39  -6.477 -11.906 -11.906
  295    H    LYS  40           HN       LYS  40  -5.958 -12.896 -12.896
  296    HA   LYS  40           HA       LYS  40  -4.367 -10.919 -10.919
  297   1HB   LYS  40           HB2      LYS  40  -5.466 -11.875 -11.875
  298   2HB   LYS  40           HB1      LYS  40  -6.631 -11.701 -11.701
  299   1HG   LYS  40           HG1      LYS  40  -5.890 -14.169 -14.169
  300   2HG   LYS  40           HG2      LYS  40  -5.388 -14.196 -14.196
  301   1HD   LYS  40           HD2      LYS  40  -7.811 -13.118 -13.118
  302   2HD   LYS  40           HD1      LYS  40  -8.131 -13.981 -13.981
  303   1HE   LYS  40           HE2      LYS  40  -6.841 -15.940 -15.940
  304   2HE   LYS  40           HE1      LYS  40  -7.566 -15.071 -15.071
  305   1HZ   LYS  40           HZ1      LYS  40  -9.026 -15.899 -15.899
  306   2HZ   LYS  40           HZ3      LYS  40  -9.098 -16.715 -16.715
  307   3HZ   LYS  40           HZ2      LYS  40  -9.696 -15.129 -15.129
  308    H    ALA  41           HN       ALA  41  -3.706 -14.141 -14.141
  309    HA   ALA  41           HA       ALA  41  -2.089 -15.259 -15.259
  310   1HB   ALA  41           HB3      ALA  41  -2.765 -15.908 -15.908
  311   2HB   ALA  41           HB2      ALA  41  -1.170 -15.251 -15.251
  312   3HB   ALA  41           HB1      ALA  41  -1.329 -16.607 -16.607
  313    H    LEU  42           HN       LEU  42  -1.426 -12.450 -12.450
  314    HA   LEU  42           HA       LEU  42   1.431 -12.388 -12.388
  315   1HB   LEU  42           HB2      LEU  42   0.543 -11.886 -11.886
  316   2HB   LEU  42           HB1      LEU  42  -0.198 -10.435 -10.435
  317    HG   LEU  42           HG       LEU  42   2.285 -10.093 -10.093
  318   1HD1  LEU  42          HD11      LEU  42   2.644 -12.351 -12.351
  319   2HD1  LEU  42          HD13      LEU  42   3.130 -11.063 -11.063
  320   3HD1  LEU  42          HD12      LEU  42   3.925 -11.232 -11.232
  321   1HD2  LEU  42          HD21      LEU  42   0.878  -9.288  -9.288
  322   2HD2  LEU  42          HD23      LEU  42   1.658  -8.289  -8.289
  323   3HD2  LEU  42          HD22      LEU  42   2.626  -9.053  -9.053
  324    H    ALA  43           HN       ALA  43  -0.587 -12.095 -12.095
  325    HA   ALA  43           HA       ALA  43  -0.832  -9.250  -9.250
  326   1HB   ALA  43           HB2      ALA  43  -1.824 -11.847 -11.847
  327   2HB   ALA  43           HB1      ALA  43  -1.429 -10.802 -10.802
  328   3HB   ALA  43           HB3      ALA  43  -2.578 -10.258 -10.258
  329    HA   PRO  44           HA       PRO  44   2.349 -10.387 -10.387
  330   1HB   PRO  44           HB2      PRO  44   3.621 -12.803 -12.803
  331   2HB   PRO  44           HB1      PRO  44   2.094 -12.553 -12.553
  332   1HG   PRO  44           HG2      PRO  44   2.604 -13.813 -13.813
  333   2HG   PRO  44           HG1      PRO  44   1.367 -14.181 -14.181
  334   1HD   PRO  44           HD1      PRO  44   0.957 -12.741 -12.741
  335   2HD   PRO  44           HD2      PRO  44  -0.112 -12.725 -12.725
  336    H    GLU  45           HN       GLU  45   2.890 -11.235 -11.235
  337    HA   GLU  45           HA       GLU  45   5.794 -10.916 -10.916
  338   1HB   GLU  45           HB2      GLU  45   3.703 -10.776 -10.776
  339   2HB   GLU  45           HB1      GLU  45   5.441 -10.892 -10.892
  340   1HG   GLU  45           HG1      GLU  45   5.342 -13.128 -13.128
  341   2HG   GLU  45           HG2      GLU  45   4.674 -12.956 -12.956
  342    H    TYR  46           HN       TYR  46   2.943  -8.976  -8.976
  343    HA   TYR  46           HA       TYR  46   4.039  -6.548  -6.548
  344   1HB   TYR  46           HB1      TYR  46   1.601  -7.624  -7.624
  345   2HB   TYR  46           HB2      TYR  46   1.874  -6.354  -6.354
  346    HD1  TYR  46           HD2      TYR  46   1.509  -7.111  -7.111
  347    HD2  TYR  46           HD1      TYR  46   1.894  -4.062  -4.062
  348    HE1  TYR  46           HE2      TYR  46   0.846  -5.394  -5.394
  349    HE2  TYR  46           HE1      TYR  46   1.229  -2.334  -2.334
  350    HH   TYR  46           HH       TYR  46  -0.210  -2.421  -2.421
  351    H    ALA  47           HN       ALA  47   2.964  -7.149  -7.149
  352    HA   ALA  47           HA       ALA  47   4.222  -5.012  -5.012
  353   1HB   ALA  47           HB2      ALA  47   3.650  -7.851  -7.851
  354   2HB   ALA  47           HB1      ALA  47   4.083  -6.554  -6.554
  355   3HB   ALA  47           HB3      ALA  47   2.593  -6.449  -6.449
  356    H    LYS  48           HN       LYS  48   5.643  -8.079  -8.079
  357    HA   LYS  48           HA       LYS  48   8.091  -7.818  -7.818
  358   1HB   LYS  48           HB2      LYS  48   6.842  -9.758  -9.758
  359   2HB   LYS  48           HB1      LYS  48   8.042  -9.244  -9.244
  360   1HG   LYS  48           HG2      LYS  48   9.526 -10.544 -10.544
  361   2HG   LYS  48           HG1      LYS  48   9.452  -9.371  -9.371
  362   1HD   LYS  48           HD2      LYS  48   8.643 -11.050 -11.050
  363   2HD   LYS  48           HD1      LYS  48   7.150 -10.894 -10.894
  364   1HE   LYS  48           HE2      LYS  48   8.383 -12.448 -12.448
  365   2HE   LYS  48           HE1      LYS  48   9.375 -12.891 -12.891
  366   1HZ   LYS  48           HZ1      LYS  48   6.411 -12.819 -12.819
  367   2HZ   LYS  48           HZ3      LYS  48   7.285 -14.228 -14.228
  368   3HZ   LYS  48           HZ2      LYS  48   7.462 -13.479 -13.479
  369    H    ALA  49           HN       ALA  49   6.890  -6.409  -6.409
  370    HA   ALA  49           HA       ALA  49   9.472  -5.726  -5.726
  371   1HB   ALA  49           HB2      ALA  49   6.923  -5.873  -5.873
  372   2HB   ALA  49           HB1      ALA  49   7.030  -4.138  -4.138
  373   3HB   ALA  49           HB3      ALA  49   8.161  -4.914  -4.914
  374    H    ALA  50           HN       ALA  50   7.143  -4.156  -4.156
  375    HA   ALA  50           HA       ALA  50   8.384  -1.542  -1.542
  376   1HB   ALA  50           HB3      ALA  50   6.014  -2.316  -2.316
  377   2HB   ALA  50           HB2      ALA  50   6.751  -2.788  -2.788
  378   3HB   ALA  50           HB1      ALA  50   6.785  -1.100  -1.100
  379    H    GLY  51           HN       GLY  51   8.575  -4.355  -4.355
  380   1HA   GLY  51           HA2      GLY  51  10.444  -3.121  -3.121
  381   2HA   GLY  51           HA1      GLY  51  10.120  -4.852  -4.852
  382    H    LYS  52           HN       LYS  52  10.750  -4.761  -4.761
  383    HA   LYS  52           HA       LYS  52  13.575  -5.383  -5.383
  384   1HB   LYS  52           HB2      LYS  52  11.469  -5.189  -5.189
  385   2HB   LYS  52           HB1      LYS  52  13.157  -5.372  -5.372
  386   1HG   LYS  52           HG1      LYS  52  12.129  -7.185  -7.185
  387   2HG   LYS  52           HG2      LYS  52  11.597  -7.493  -7.493
  388   1HD   LYS  52           HD2      LYS  52  13.591  -8.408  -8.408
  389   2HD   LYS  52           HD1      LYS  52  14.421  -6.933  -6.933
  390   1HE   LYS  52           HE2      LYS  52  14.893  -7.752  -7.752
  391   2HE   LYS  52           HE1      LYS  52  13.416  -8.734  -8.734
  392   1HZ   LYS  52           HZ1      LYS  52  14.432 -10.057 -10.057
  393   2HZ   LYS  52           HZ3      LYS  52  15.895  -9.268  -9.268
  394   3HZ   LYS  52           HZ2      LYS  52  15.170 -10.248 -10.248
  395    H    LEU  53           HN       LEU  53  11.955  -2.408  -2.408
  396    HA   LEU  53           HA       LEU  53  14.452  -1.098  -1.098
  397   1HB   LEU  53           HB1      LEU  53  13.002   0.418   0.418
  398   2HB   LEU  53           HB2      LEU  53  12.869  -1.262  -1.262
  399    HG   LEU  53           HG       LEU  53  10.860  -1.354  -1.354
  400   1HD1  LEU  53          HD11      LEU  53  11.577   1.503   1.503
  401   2HD1  LEU  53          HD13      LEU  53   9.870   1.184   1.184
  402   3HD1  LEU  53          HD12      LEU  53  10.617   0.610   0.610
  403   1HD2  LEU  53          HD23      LEU  53  10.984  -1.213  -1.213
  404   2HD2  LEU  53          HD22      LEU  53   9.441  -1.074  -1.074
  405   3HD2  LEU  53          HD21      LEU  53  10.275   0.376   0.376
  406    H    LYS  54           HN       LYS  54  12.697  -1.468  -1.468
  407    HA   LYS  54           HA       LYS  54  11.831   1.174   1.174
  408   1HB   LYS  54           HB2      LYS  54  12.305  -1.486  -1.486
  409   2HB   LYS  54           HB1      LYS  54  12.414  -0.133  -0.133
  410   1HG   LYS  54           HG2      LYS  54  10.095  -0.489  -0.489
  411   2HG   LYS  54           HG1      LYS  54  10.091  -1.139  -1.139
  412   1HD   LYS  54           HD2      LYS  54  10.554   1.174   1.174
  413   2HD   LYS  54           HD1      LYS  54  10.367   1.774   1.774
  414   1HE   LYS  54           HE2      LYS  54   8.074   0.364   0.364
  415   2HE   LYS  54           HE1      LYS  54   8.288   0.790   0.790
  416   1HZ   LYS  54           HZ3      LYS  54   8.503   2.713   2.713
  417   2HZ   LYS  54           HZ2      LYS  54   7.126   2.537   2.537
  418   3HZ   LYS  54           HZ1      LYS  54   8.587   3.082   3.082
  419    H    ALA  55           HN       ALA  55  14.822  -0.665  -0.665
  420    HA   ALA  55           HA       ALA  55  16.071   1.774   1.774
  421   1HB   ALA  55           HB3      ALA  55  16.187  -0.477  -0.477
  422   2HB   ALA  55           HB2      ALA  55  17.080  -1.072  -1.072
  423   3HB   ALA  55           HB1      ALA  55  17.782   0.177   0.177
  424    H    GLU  56           HN       GLU  56  15.507   1.258   1.258
  425    HA   GLU  56           HA       GLU  56  18.332   1.616   1.616
  426   1HB   GLU  56           HB1      GLU  56  15.918   0.479   0.479
  427   2HB   GLU  56           HB2      GLU  56  17.567   0.539   0.539
  428   1HG   GLU  56           HG2      GLU  56  17.817  -0.693  -0.693
  429   2HG   GLU  56           HG1      GLU  56  16.347  -1.389  -1.389
  430    H    GLY  57           HN       GLY  57  16.179   3.623   3.623
  431   1HA   GLY  57           HA2      GLY  57  16.154   5.926   5.926
  432   2HA   GLY  57           HA1      GLY  57  16.327   5.299   5.299
  433    H    SER  58           HN       SER  58  14.371   3.452   3.452
  434    HA   SER  58           HA       SER  58  12.063   3.256   3.256
  435   1HB   SER  58           HB1      SER  58  12.154   3.013   3.013
  436   2HB   SER  58           HB2      SER  58  12.006   4.762   4.762
  437    HG   SER  58           HG       SER  58   9.950   4.572   4.572
  438    H    GLU  59           HN       GLU  59  12.655   4.976   4.976
  439    HA   GLU  59           HA       GLU  59  11.529   7.662   7.662
  440   1HB   GLU  59           HB1      GLU  59  12.535   8.222   8.222
  441   2HB   GLU  59           HB2      GLU  59  13.689   7.223   7.223
  442   1HG   GLU  59           HG2      GLU  59  12.808   6.754   6.754
  443   2HG   GLU  59           HG1      GLU  59  13.581   5.562   5.562
  444    H    ILE  60           HN       ILE  60   9.974   4.969   4.969
  445    HA   ILE  60           HA       ILE  60   7.870   6.126   6.126
  446    HB   ILE  60           HB       ILE  60   7.711   4.104   4.104
  447   1HG1  ILE  60          HG11      ILE  60   8.281   2.543   2.543
  448   2HG1  ILE  60          HG12      ILE  60   9.057   2.134   2.134
  449   1HG2  ILE  60          HG21      ILE  60   9.440   5.746   5.746
  450   2HG2  ILE  60          HG23      ILE  60  10.634   4.849   4.849
  451   3HG2  ILE  60          HG22      ILE  60   9.869   4.101   4.101
  452   1HD1  ILE  60          HD13      ILE  60  10.899   3.837   3.837
  453   2HD1  ILE  60          HD12      ILE  60  10.263   2.926   2.926
  454   3HD1  ILE  60          HD11      ILE  60  10.983   2.077   2.077
  455    H    ARG  61           HN       ARG  61   5.818   4.679   4.679
  456    HA   ARG  61           HA       ARG  61   5.704   3.294   3.294
  457   1HB   ARG  61           HB2      ARG  61   4.599   5.919   5.919
  458   2HB   ARG  61           HB1      ARG  61   3.427   4.842   4.842
  459   1HG   ARG  61           HG2      ARG  61   5.972   4.699   4.699
  460   2HG   ARG  61           HG1      ARG  61   5.405   6.367   6.367
  461   1HD   ARG  61           HD2      ARG  61   3.322   5.800   5.800
  462   2HD   ARG  61           HD1      ARG  61   3.641   4.062   4.062
  463    HE   ARG  61           HE       ARG  61   5.319   4.227   4.227
  464   1HH1  ARG  61          HH21      ARG  61   6.942   6.319   6.319
  465   2HH1  ARG  61          HH22      ARG  61   6.199   7.558   7.558
  466   1HH2  ARG  61          HH11      ARG  61   3.012   6.218   6.218
  467   2HH2  ARG  61          HH12      ARG  61   3.974   7.501   7.501
  468    H    LEU  62           HN       LEU  62   4.273   1.591   1.591
  469    HA   LEU  62           HA       LEU  62   2.674   1.186   1.186
  470   1HB   LEU  62           HB1      LEU  62   2.794  -1.216  -1.216
  471   2HB   LEU  62           HB2      LEU  62   4.382  -0.495  -0.495
  472    HG   LEU  62           HG       LEU  62   3.319  -0.163  -0.163
  473   1HD1  LEU  62          HD12      LEU  62   3.875  -2.886  -2.886
  474   2HD1  LEU  62          HD11      LEU  62   4.041  -2.568  -2.568
  475   3HD1  LEU  62          HD13      LEU  62   2.474  -2.373  -2.373
  476   1HD2  LEU  62          HD23      LEU  62   5.766  -0.025  -0.025
  477   2HD2  LEU  62          HD22      LEU  62   5.535   0.000   0.000
  478   3HD2  LEU  62          HD21      LEU  62   5.878  -1.522  -1.522
  479    H    ALA  63           HN       ALA  63   0.459   0.420   0.420
  480    HA   ALA  63           HA       ALA  63  -0.683   0.438   0.438
  481   1HB   ALA  63           HB2      ALA  63  -0.450   2.796   2.796
  482   2HB   ALA  63           HB1      ALA  63  -1.885   2.272   2.272
  483   3HB   ALA  63           HB3      ALA  63  -1.923   2.385   2.385
  484    H    LYS  64           HN       LYS  64  -3.258   0.271   0.271
  485    HA   LYS  64           HA       LYS  64  -3.936  -1.361  -1.361
  486   1HB   LYS  64           HB1      LYS  64  -3.850  -2.314  -2.314
  487   2HB   LYS  64           HB2      LYS  64  -4.786  -3.150  -3.150
  488   1HG   LYS  64           HG2      LYS  64  -2.493  -2.987  -2.987
  489   2HG   LYS  64           HG1      LYS  64  -1.820  -2.891  -2.891
  490   1HD   LYS  64           HD2      LYS  64  -3.630  -4.939  -4.939
  491   2HD   LYS  64           HD1      LYS  64  -3.061  -5.176  -5.176
  492   1HE   LYS  64           HE2      LYS  64  -0.676  -4.890  -4.890
  493   2HE   LYS  64           HE1      LYS  64  -1.459  -5.202  -5.202
  494   1HZ   LYS  64           HZ2      LYS  64  -1.913  -6.901  -6.901
  495   2HZ   LYS  64           HZ1      LYS  64  -0.682  -7.232  -7.232
  496   3HZ   LYS  64           HZ3      LYS  64  -2.304  -7.248  -7.248
  497    H    VAL  65           HN       VAL  65  -6.270  -1.808  -1.808
  498    HA   VAL  65           HA       VAL  65  -7.979  -0.178  -0.178
  499    HB   VAL  65           HB       VAL  65  -7.513   1.346   1.346
  500   1HG1  VAL  65          HG22      VAL  65  -7.224  -1.065  -1.065
  501   2HG1  VAL  65          HG21      VAL  65  -8.397  -0.034  -0.034
  502   3HG1  VAL  65          HG23      VAL  65  -6.780   0.575   0.575
  503   1HG2  VAL  65          HG13      VAL  65 -10.093   0.412   0.412
  504   2HG2  VAL  65          HG12      VAL  65  -9.682   1.886   1.886
  505   3HG2  VAL  65          HG11      VAL  65  -9.971   0.385   0.385
  506    H    ASP  66           HN       ASP  66  -9.920  -1.183  -1.183
  507    HA   ASP  66           HA       ASP  66 -10.386  -3.823  -3.823
  508   1HB   ASP  66           HB1      ASP  66 -10.906  -2.469  -2.469
  509   2HB   ASP  66           HB2      ASP  66 -12.442  -3.024  -3.024
  510    H    ALA  67           HN       ALA  67 -11.165  -3.378  -3.378
  511    HA   ALA  67           HA       ALA  67 -12.817  -1.346  -1.346
  512   1HB   ALA  67           HB2      ALA  67 -11.760  -3.704  -3.704
  513   2HB   ALA  67           HB1      ALA  67 -13.490  -4.043  -4.043
  514   3HB   ALA  67           HB3      ALA  67 -12.832  -2.659  -2.659
  515    H    THR  68           HN       THR  68 -13.733  -4.046  -4.046
  516    HA   THR  68           HA       THR  68 -16.624  -3.594  -3.594
  517    HB   THR  68           HB       THR  68 -16.658  -5.449  -5.449
  518    HG1  THR  68           HG1      THR  68 -14.816  -5.829  -5.829
  519   1HG2  THR  68          HG21      THR  68 -16.835  -5.811  -5.811
  520   2HG2  THR  68          HG23      THR  68 -15.081  -5.989  -5.989
  521   3HG2  THR  68          HG22      THR  68 -16.056  -7.148  -7.148
  522    H    GLU  69           HN       GLU  69 -14.224  -2.120  -2.120
  523    HA   GLU  69           HA       GLU  69 -16.202  -1.447  -1.447
  524   1HB   GLU  69           HB1      GLU  69 -14.004  -2.692  -2.692
  525   2HB   GLU  69           HB2      GLU  69 -13.188  -1.183  -1.183
  526   1HG   GLU  69           HG1      GLU  69 -15.146  -1.702  -1.702
  527   2HG   GLU  69           HG2      GLU  69 -13.496  -1.088  -1.088
  528    H    GLU  70           HN       GLU  70 -13.864  -0.223  -0.223
  529    HA   GLU  70           HA       GLU  70 -15.104   2.470   2.470
  530   1HB   GLU  70           HB1      GLU  70 -12.776   3.438   3.438
  531   2HB   GLU  70           HB2      GLU  70 -13.251   2.516   2.516
  532   1HG   GLU  70           HG2      GLU  70 -12.133   0.559   0.559
  533   2HG   GLU  70           HG1      GLU  70 -11.155   1.947   1.947
  534    H    SER  71           HN       SER  71 -15.787   1.186   1.186
  535    HA   SER  71           HA       SER  71 -13.831   1.034   1.034
  536   1HB   SER  71           HB2      SER  71 -16.532   0.273   0.273
  537   2HB   SER  71           HB1      SER  71 -16.520   1.142   1.142
  538    HG   SER  71           HG       SER  71 -15.632  -0.549  -0.549
  539    H    ASP  72           HN       ASP  72 -15.216   3.714   3.714
  540    HA   ASP  72           HA       ASP  72 -16.141   5.363   5.363
  541   1HB   ASP  72           HB2      ASP  72 -15.418   5.542   5.542
  542   2HB   ASP  72           HB1      ASP  72 -14.482   6.789   6.789
  543    H    LEU  73           HN       LEU  73 -12.917   4.217   4.217
  544    HA   LEU  73           HA       LEU  73 -11.670   6.295   6.295
  545   1HB   LEU  73           HB1      LEU  73 -10.573   3.919   3.919
  546   2HB   LEU  73           HB2      LEU  73  -9.586   5.121   5.121
  547    HG   LEU  73           HG       LEU  73  -9.611   5.803   5.803
  548   1HD1  LEU  73          HD22      LEU  73 -10.102   7.657   7.657
  549   2HD1  LEU  73          HD21      LEU  73 -11.828   7.369   7.369
  550   3HD1  LEU  73          HD23      LEU  73 -10.848   7.920   7.920
  551   1HD2  LEU  73          HD12      LEU  73 -11.745   4.273   4.273
  552   2HD2  LEU  73          HD11      LEU  73 -11.380   5.593   5.593
  553   3HD2  LEU  73          HD13      LEU  73 -12.593   5.812   5.812
  554    H    ALA  74           HN       ALA  74 -12.038   2.759   2.759
  555    HA   ALA  74           HA       ALA  74 -10.765   2.121   2.121
  556   1HB   ALA  74           HB3      ALA  74 -12.504   0.926   0.926
  557   2HB   ALA  74           HB2      ALA  74 -12.937   0.363   0.363
  558   3HB   ALA  74           HB1      ALA  74 -11.291   0.148   0.148
  559    H    GLN  75           HN       GLN  75 -14.239   2.751   2.751
  560    HA   GLN  75           HA       GLN  75 -15.159   2.499   2.499
  561   1HB   GLN  75           HB2      GLN  75 -16.271   2.909   2.909
  562   2HB   GLN  75           HB1      GLN  75 -16.321   4.568   4.568
  563   1HG   GLN  75           HG2      GLN  75 -17.680   3.992   3.992
  564   2HG   GLN  75           HG1      GLN  75 -17.289   2.279   2.279
  565   1HE2  GLN  75          HE22      GLN  75 -20.690   2.838   2.838
  566   2HE2  GLN  75          HE21      GLN  75 -20.006   3.098   3.098
  567    H    GLN  76           HN       GLN  76 -13.350   5.036   5.036
  568    HA   GLN  76           HA       GLN  76 -14.009   7.199   7.199
  569   1HB   GLN  76           HB2      GLN  76 -12.689   6.895   6.895
  570   2HB   GLN  76           HB1      GLN  76 -11.320   7.042   7.042
  571   1HG   GLN  76           HG1      GLN  76 -12.353   9.123   9.123
  572   2HG   GLN  76           HG2      GLN  76 -13.621   8.997   8.997
  573   1HE2  GLN  76          HE22      GLN  76 -11.569  10.935  10.935
  574   2HE2  GLN  76          HE21      GLN  76 -13.062  10.789  10.789
  575    H    TYR  77           HN       TYR  77 -11.405   4.774   4.774
  576    HA   TYR  77           HA       TYR  77 -10.314   5.810   5.810
  577   1HB   TYR  77           HB2      TYR  77  -9.582   3.586   3.586
  578   2HB   TYR  77           HB1      TYR  77  -8.666   3.938   3.938
  579    HD1  TYR  77           HD2      TYR  77  -8.095   6.546   6.546
  580    HD2  TYR  77           HD1      TYR  77  -8.884   4.600   4.600
  581    HE1  TYR  77           HE2      TYR  77  -6.888   8.354   8.354
  582    HE2  TYR  77           HE1      TYR  77  -7.677   6.409   6.409
  583    HH   TYR  77           HH       TYR  77  -7.187   9.077   9.077
  584    H    GLY  78           HN       GLY  78 -12.002   2.950   2.950
  585   1HA   GLY  78           HA1      GLY  78 -13.665   1.935   1.935
  586   2HA   GLY  78           HA2      GLY  78 -12.398   2.058   2.058
  587    H    VAL  79           HN       VAL  79 -11.971   1.104   1.104
  588    HA   VAL  79           HA       VAL  79 -10.649  -1.391  -1.391
  589    HB   VAL  79           HB       VAL  79 -11.038  -0.007  -0.007
  590   1HG1  VAL  79          HG11      VAL  79 -10.062  -2.643  -2.643
  591   2HG1  VAL  79          HG13      VAL  79  -8.774  -1.677  -1.677
  592   3HG1  VAL  79          HG12      VAL  79 -10.286  -1.919  -1.919
  593   1HG2  VAL  79          HG23      VAL  79  -9.370   0.579   0.579
  594   2HG2  VAL  79          HG22      VAL  79  -9.325   1.314   1.314
  595   3HG2  VAL  79          HG21      VAL  79  -8.333  -0.102  -0.102
  596    H    ARG  80           HN       ARG  80 -12.412  -2.768  -2.768
  597    HA   ARG  80           HA       ARG  80 -14.360  -3.397  -3.397
  598   1HB   ARG  80           HB1      ARG  80 -15.606  -2.549  -2.549
  599   2HB   ARG  80           HB2      ARG  80 -14.460  -3.114  -3.114
  600   1HG   ARG  80           HG2      ARG  80 -15.356  -5.248  -5.248
  601   2HG   ARG  80           HG1      ARG  80 -16.006  -5.132  -5.132
  602   1HD   ARG  80           HD2      ARG  80 -17.977  -4.863  -4.863
  603   2HD   ARG  80           HD1      ARG  80 -17.451  -3.168  -3.168
  604    HE   ARG  80           HE       ARG  80 -16.212  -4.548  -4.548
  605   1HH1  ARG  80          HH11      ARG  80 -16.995  -1.870  -1.870
  606   2HH1  ARG  80          HH12      ARG  80 -18.498  -2.002  -2.002
  607   1HH2  ARG  80          HH21      ARG  80 -19.083  -5.268  -5.268
  608   2HH2  ARG  80          HH22      ARG  80 -19.679  -3.927  -3.927
  609    H    GLY  81           HN       GLY  81 -11.671  -4.604  -4.604
  610   1HA   GLY  81           HA2      GLY  81 -12.456  -7.403  -7.403
  611   2HA   GLY  81           HA1      GLY  81 -11.496  -7.022  -7.022
  612    H    TYR  82           HN       TYR  82 -11.403  -7.612  -7.612
  613    HA   TYR  82           HA       TYR  82  -8.672  -6.588  -6.588
  614   1HB   TYR  82           HB1      TYR  82 -10.218  -8.459  -8.459
  615   2HB   TYR  82           HB2      TYR  82  -9.028  -7.246  -7.246
  616    HD1  TYR  82           HD1      TYR  82  -9.775  -4.805  -4.805
  617    HD2  TYR  82           HD2      TYR  82 -12.354  -7.890  -7.890
  618    HE1  TYR  82           HE1      TYR  82 -11.573  -3.133  -3.133
  619    HE2  TYR  82           HE2      TYR  82 -14.154  -6.215  -6.215
  620    HH   TYR  82           HH       TYR  82 -13.859  -3.244  -3.244
  621    HA   PRO  83           HA       PRO  83  -7.185  -7.333  -7.333
  622   1HB   PRO  83           HB2      PRO  83  -4.501  -7.701  -7.701
  623   2HB   PRO  83           HB1      PRO  83  -5.491  -8.717  -8.717
  624   1HG   PRO  83           HG2      PRO  83  -4.435  -9.271  -9.271
  625   2HG   PRO  83           HG1      PRO  83  -4.656 -10.368 -10.368
  626   1HD   PRO  83           HD1      PRO  83  -6.346 -10.193 -10.193
  627   2HD   PRO  83           HD2      PRO  83  -6.801 -10.848 -10.848
  628    H    THR  84           HN       THR  84  -6.457  -5.212  -5.212
  629    HA   THR  84           HA       THR  84  -5.459  -4.629  -4.629
  630    HB   THR  84           HB       THR  84  -7.637  -3.256  -3.256
  631    HG1  THR  84           HG1      THR  84  -8.949  -4.206  -4.206
  632   1HG2  THR  84          HG22      THR  84  -6.081  -2.415  -2.415
  633   2HG2  THR  84          HG21      THR  84  -7.778  -1.954  -1.954
  634   3HG2  THR  84          HG23      THR  84  -6.626  -1.444  -1.444
  635    H    ILE  85           HN       ILE  85  -3.317  -4.348  -4.348
  636    HA   ILE  85           HA       ILE  85  -2.916  -2.415  -2.415
  637    HB   ILE  85           HB       ILE  85  -0.950  -3.984  -3.984
  638   1HG1  ILE  85          HG11      ILE  85  -1.203  -5.094  -5.094
  639   2HG1  ILE  85          HG12      ILE  85  -2.850  -4.834  -4.834
  640   1HG2  ILE  85          HG21      ILE  85  -0.690  -2.052  -2.052
  641   2HG2  ILE  85          HG23      ILE  85   0.013  -3.606  -3.606
  642   3HG2  ILE  85          HG22      ILE  85   0.566  -2.775  -2.775
  643   1HD1  ILE  85          HD12      ILE  85  -1.291  -5.881  -5.881
  644   2HD1  ILE  85          HD11      ILE  85  -1.043  -6.905  -6.905
  645   3HD1  ILE  85          HD13      ILE  85  -2.674  -6.617  -6.617
  646    H    LYS  86           HN       LYS  86  -2.180  -0.336  -0.336
  647    HA   LYS  86           HA       LYS  86  -1.308   0.473   0.473
  648   1HB   LYS  86           HB2      LYS  86  -3.128   1.986   1.986
  649   2HB   LYS  86           HB1      LYS  86  -2.672   2.494   2.494
  650   1HG   LYS  86           HG1      LYS  86  -4.062  -0.139  -0.139
  651   2HG   LYS  86           HG2      LYS  86  -4.955   1.351   1.351
  652   1HD   LYS  86           HD2      LYS  86  -2.763   0.561   0.561
  653   2HD   LYS  86           HD1      LYS  86  -4.337  -0.227  -0.227
  654   1HE   LYS  86           HE1      LYS  86  -5.207   1.597   1.597
  655   2HE   LYS  86           HE2      LYS  86  -4.678   2.637   2.637
  656   1HZ   LYS  86           HZ2      LYS  86  -2.919   1.613   1.613
  657   2HZ   LYS  86           HZ1      LYS  86  -3.556   3.187   3.187
  658   3HZ   LYS  86           HZ3      LYS  86  -2.461   2.670   2.670
  659    H    PHE  87           HN       PHE  87  -0.074   2.593   2.593
  660    HA   PHE  87           HA       PHE  87   1.350   2.903   2.903
  661   1HB   PHE  87           HB1      PHE  87   2.440   1.700   1.700
  662   2HB   PHE  87           HB2      PHE  87   2.676   3.353   3.353
  663    HD1  PHE  87           HD1      PHE  87   3.295   4.905   4.905
  664    HD2  PHE  87           HD2      PHE  87   4.447   0.868   0.868
  665    HE1  PHE  87           HE1      PHE  87   5.262   5.131   5.131
  666    HE2  PHE  87           HE2      PHE  87   6.417   1.096   1.096
  667    HZ   PHE  87           HZ       PHE  87   6.826   3.226   3.226
  668    H    PHE  88           HN       PHE  88   1.221   4.975   4.975
  669    HA   PHE  88           HA       PHE  88   0.506   7.147   7.147
  670   1HB   PHE  88           HB2      PHE  88   0.079   6.675   6.675
  671   2HB   PHE  88           HB1      PHE  88  -0.238   8.232   8.232
  672    HD1  PHE  88           HD2      PHE  88  -1.966   8.432   8.432
  673    HD2  PHE  88           HD1      PHE  88  -1.367   4.783   4.783
  674    HE1  PHE  88           HE2      PHE  88  -4.162   7.596   7.596
  675    HE2  PHE  88           HE1      PHE  88  -3.562   3.946   3.946
  676    HZ   PHE  88           HZ       PHE  88  -4.960   5.353   5.353
  677    H    ARG  89           HN       ARG  89   2.141   8.575   8.575
  678    HA   ARG  89           HA       ARG  89   4.492   8.653   8.653
  679   1HB   ARG  89           HB1      ARG  89   4.271   8.261   8.261
  680   2HB   ARG  89           HB2      ARG  89   4.532  10.004  10.004
  681   1HG   ARG  89           HG2      ARG  89   6.607   9.769   9.769
  682   2HG   ARG  89           HG1      ARG  89   6.275   8.087   8.087
  683   1HD   ARG  89           HD2      ARG  89   7.176   7.368   7.368
  684   2HD   ARG  89           HD1      ARG  89   6.154   8.479   8.479
  685    HE   ARG  89           HE       ARG  89   8.417   9.716   9.716
  686   1HH1  ARG  89          HH11      ARG  89   7.860   7.827   7.827
  687   2HH1  ARG  89          HH12      ARG  89   8.631   8.918   8.918
  688   1HH2  ARG  89          HH21      ARG  89   9.094  11.407  11.407
  689   2HH2  ARG  89          HH22      ARG  89   9.329  10.945  10.945
  690    H    ASN  90           HN       ASN  90   4.063  10.239  10.239
  691    HA   ASN  90           HA       ASN  90   3.562  12.378  12.378
  692   1HB   ASN  90           HB2      ASN  90   5.698  12.686  12.686
  693   2HB   ASN  90           HB1      ASN  90   4.829  13.039  13.039
  694   1HD2  ASN  90          HD22      ASN  90   4.565  16.442  16.442
  695   2HD2  ASN  90          HD21      ASN  90   4.680  15.249  15.249
  696    H    GLY  91           HN       GLY  91   1.160  11.825  11.825
  697   1HA   GLY  91           HA2      GLY  91  -0.952  12.462  12.462
  698   2HA   GLY  91           HA1      GLY  91  -0.229  14.057  14.057
  699    H    ASP  92           HN       ASP  92  -0.370  10.911  10.911
  700    HA   ASP  92           HA       ASP  92  -0.147  12.391  12.391
  701   1HB   ASP  92           HB2      ASP  92   1.545  10.560  10.560
  702   2HB   ASP  92           HB1      ASP  92   0.349   9.452   9.452
  703    H    THR  93           HN       THR  93  -2.674  12.163  12.163
  704    HA   THR  93           HA       THR  93  -4.230   9.897   9.897
  705    HB   THR  93           HB       THR  93  -6.113  11.488  11.488
  706    HG1  THR  93           HG1      THR  93  -4.133  13.468  13.468
  707   1HG2  THR  93          HG22      THR  93  -4.886  10.520  10.520
  708   2HG2  THR  93          HG21      THR  93  -3.837  11.938  11.938
  709   3HG2  THR  93          HG23      THR  93  -5.560  12.113  12.113
  710    H    ALA  94           HN       ALA  94  -3.264  12.775  12.775
  711    HA   ALA  94           HA       ALA  94  -5.084  12.507  12.507
  712   1HB   ALA  94           HB1      ALA  94  -3.341  14.354  14.354
  713   2HB   ALA  94           HB3      ALA  94  -2.302  13.551  13.551
  714   3HB   ALA  94           HB2      ALA  94  -3.833  14.261  14.261
  715    H    SER  95           HN       SER  95  -1.998  10.981  10.981
  716    HA   SER  95           HA       SER  95  -2.379   9.185   9.185
  717   1HB   SER  95           HB2      SER  95  -0.846  10.842  10.842
  718   2HB   SER  95           HB1      SER  95   0.029  10.857  10.857
  719    HG   SER  95           HG       SER  95   0.412   9.306   9.306
  720    HA   PRO  96           HA       PRO  96  -1.297   6.950   6.950
  721   1HB   PRO  96           HB1      PRO  96  -3.170   4.974   4.974
  722   2HB   PRO  96           HB2      PRO  96  -3.510   6.519   6.519
  723   1HG   PRO  96           HG2      PRO  96  -4.157   5.630   5.630
  724   2HG   PRO  96           HG1      PRO  96  -5.124   6.591   6.591
  725   1HD   PRO  96           HD2      PRO  96  -3.730   7.673   7.673
  726   2HD   PRO  96           HD1      PRO  96  -4.089   8.550   8.550
  727    H    LYS  97           HN       LYS  97  -0.166   4.903   4.903
  728    HA   LYS  97           HA       LYS  97   0.506   3.751   3.751
  729   1HB   LYS  97           HB1      LYS  97   2.007   4.622   4.622
  730   2HB   LYS  97           HB2      LYS  97   2.481   3.018   3.018
  731   1HG   LYS  97           HG2      LYS  97   2.158   5.272   5.272
  732   2HG   LYS  97           HG1      LYS  97   3.651   5.112   5.112
  733   1HD   LYS  97           HD2      LYS  97   3.687   2.668   2.668
  734   2HD   LYS  97           HD1      LYS  97   2.440   3.135   3.135
  735   1HE   LYS  97           HE2      LYS  97   4.859   4.879   4.879
  736   2HE   LYS  97           HE1      LYS  97   5.046   3.287   3.287
  737   1HZ   LYS  97           HZ1      LYS  97   2.904   5.249   5.249
  738   2HZ   LYS  97           HZ3      LYS  97   4.264   4.951   4.951
  739   3HZ   LYS  97           HZ2      LYS  97   3.107   3.729   3.729
  740    H    GLU  98           HN       GLU  98   1.269   1.378   1.378
  741    HA   GLU  98           HA       GLU  98  -0.543  -0.066  -0.066
  742   1HB   GLU  98           HB2      GLU  98  -0.668  -1.770  -1.770
  743   2HB   GLU  98           HB1      GLU  98  -1.218  -0.189  -0.189
  744   1HG   GLU  98           HG2      GLU  98   1.675  -0.615  -0.615
  745   2HG   GLU  98           HG1      GLU  98   0.683  -1.723  -1.723
  746    H    TYR  99           HN       TYR  99   0.292  -2.220  -2.220
  747    HA   TYR  99           HA       TYR  99   3.270  -2.187  -2.187
  748   1HB   TYR  99           HB2      TYR  99   2.021  -2.130  -2.130
  749   2HB   TYR  99           HB1      TYR  99   1.021  -3.490  -3.490
  750    HD1  TYR  99           HD2      TYR  99   4.703  -2.741  -2.741
  751    HD2  TYR  99           HD1      TYR  99   1.542  -5.486  -5.486
  752    HE1  TYR  99           HE2      TYR  99   6.361  -4.311  -4.311
  753    HE2  TYR  99           HE1      TYR  99   3.201  -7.057  -7.057
  754    HH   TYR  99           HH       TYR  99   6.681  -6.421  -6.421
  755    H    THR 100           HN       THR 100   4.476  -3.944  -3.944
  756    HA   THR 100           HA       THR 100   3.002  -6.009  -6.009
  757    HB   THR 100           HB       THR 100   5.243  -6.294  -6.294
  758    HG1  THR 100           HG1      THR 100   6.680  -5.753  -5.753
  759   1HG2  THR 100          HG21      THR 100   4.107  -3.498  -3.498
  760   2HG2  THR 100          HG23      THR 100   5.376  -3.934  -3.934
  761   3HG2  THR 100          HG22      THR 100   3.793  -4.703  -4.703
  762    H    ALA 101           HN       ALA 101   4.799  -8.068  -8.068
  763    HA   ALA 101           HA       ALA 101   5.445  -9.957  -9.957
  764   1HB   ALA 101           HB1      ALA 101   7.011  -7.906  -7.906
  765   2HB   ALA 101           HB3      ALA 101   6.208  -8.014  -8.014
  766   3HB   ALA 101           HB2      ALA 101   7.113  -9.393  -9.393
  767    H    GLY 102           HN       GLY 102   5.451  -9.853  -9.853
  768   1HA   GLY 102           HA2      GLY 102   3.564  -9.387  -9.387
  769   2HA   GLY 102           HA1      GLY 102   2.485  -9.995  -9.995
  770    H    ARG 103           HN       ARG 103   4.904 -10.900 -10.900
  771    HA   ARG 103           HA       ARG 103   3.790 -13.615 -13.615
  772   1HB   ARG 103           HB1      ARG 103   5.703 -13.171 -13.171
  773   2HB   ARG 103           HB2      ARG 103   6.718 -13.561 -13.561
  774   1HG   ARG 103           HG2      ARG 103   4.413 -15.354 -15.354
  775   2HG   ARG 103           HG1      ARG 103   5.494 -15.411 -15.411
  776   1HD   ARG 103           HD2      ARG 103   6.529 -15.582 -15.582
  777   2HD   ARG 103           HD1      ARG 103   6.088 -17.018 -17.018
  778    HE   ARG 103           HE       ARG 103   7.680 -15.869 -15.869
  779   1HH1  ARG 103          HH21      ARG 103   8.384 -17.393 -17.393
  780   2HH1  ARG 103          HH22      ARG 103   9.939 -16.672 -16.672
  781   1HH2  ARG 103          HH11      ARG 103   9.536 -14.303 -14.303
  782   2HH2  ARG 103          HH12      ARG 103  10.591 -14.924 -14.924
  783    H    GLU 104           HN       GLU 104   6.713 -11.752 -11.752
  784    HA   GLU 104           HA       GLU 104   6.189 -12.384 -12.384
  785   1HB   GLU 104           HB1      GLU 104   8.676 -12.866 -12.866
  786   2HB   GLU 104           HB2      GLU 104   8.731 -12.786 -12.786
  787   1HG   GLU 104           HG1      GLU 104   8.495 -15.116 -15.116
  788   2HG   GLU 104           HG2      GLU 104   7.009 -14.591 -14.591
  789    H    ALA 105           HN       ALA 105   7.423 -10.890 -10.890
  790    HA   ALA 105           HA       ALA 105   7.148  -8.174  -8.174
  791   1HB   ALA 105           HB1      ALA 105   8.123  -9.793  -9.793
  792   2HB   ALA 105           HB3      ALA 105   9.560  -8.882  -8.882
  793   3HB   ALA 105           HB2      ALA 105   8.107  -8.029  -8.029
  794    H    ASP 106           HN       ASP 106   9.875 -10.256 -10.256
  795    HA   ASP 106           HA       ASP 106  11.759  -8.285  -8.285
  796   1HB   ASP 106           HB2      ASP 106  11.809 -10.907 -10.907
  797   2HB   ASP 106           HB1      ASP 106  11.288 -10.825 -10.825
  798    H    ASP 107           HN       ASP 107   9.050  -9.711  -9.711
  799    HA   ASP 107           HA       ASP 107   9.558  -8.390  -8.390
  800   1HB   ASP 107           HB2      ASP 107   7.503 -10.001 -10.001
  801   2HB   ASP 107           HB1      ASP 107   6.799  -8.785  -8.785
  802    H    ILE 108           HN       ILE 108   8.162  -7.334  -7.334
  803    HA   ILE 108           HA       ILE 108   6.766  -5.002  -5.002
  804    HB   ILE 108           HB       ILE 108   7.757  -5.644  -5.644
  805   1HG1  ILE 108          HG12      ILE 108   6.375  -7.477  -7.477
  806   2HG1  ILE 108          HG11      ILE 108   5.601  -6.713  -6.713
  807   1HG2  ILE 108          HG21      ILE 108   6.417  -3.389  -3.389
  808   2HG2  ILE 108          HG23      ILE 108   5.234  -4.275  -4.275
  809   3HG2  ILE 108          HG22      ILE 108   6.744  -3.733  -3.733
  810   1HD1  ILE 108          HD11      ILE 108   4.258  -5.308  -5.308
  811   2HD1  ILE 108          HD13      ILE 108   5.029  -6.077  -6.077
  812   3HD1  ILE 108          HD12      ILE 108   3.993  -7.022  -7.022
  813    H    VAL 109           HN       VAL 109   9.733  -5.423  -5.423
  814    HA   VAL 109           HA       VAL 109  10.609  -2.710  -2.710
  815    HB   VAL 109           HB       VAL 109  12.084  -5.344  -5.344
  816   1HG1  VAL 109          HG22      VAL 109  12.958  -2.501  -2.501
  817   2HG1  VAL 109          HG21      VAL 109  13.834  -3.948  -3.948
  818   3HG1  VAL 109          HG23      VAL 109  13.654  -3.573  -3.573
  819   1HG2  VAL 109          HG12      VAL 109  10.651  -3.461  -3.461
  820   2HG2  VAL 109          HG11      VAL 109  10.612  -5.223  -5.223
  821   3HG2  VAL 109          HG13      VAL 109  12.022  -4.389  -4.389
  822    H    ASN 110           HN       ASN 110  11.034  -5.448  -5.448
  823    HA   ASN 110           HA       ASN 110  13.139  -4.530  -4.530
  824   1HB   ASN 110           HB1      ASN 110  10.879  -6.376  -6.376
  825   2HB   ASN 110           HB2      ASN 110  11.259  -5.708  -5.708
  826   1HD2  ASN 110          HD22      ASN 110  13.810  -8.354  -8.354
  827   2HD2  ASN 110          HD21      ASN 110  12.406  -7.838  -7.838
  828    H    TRP 111           HN       TRP 111   9.667  -4.121  -4.121
  829    HA   TRP 111           HA       TRP 111   9.968  -2.221  -2.221
  830   1HB   TRP 111           HB2      TRP 111   7.938  -3.595  -3.595
  831   2HB   TRP 111           HB1      TRP 111   7.668  -2.070  -2.070
  832    HD1  TRP 111           HD1      TRP 111   7.464  -3.693  -3.693
  833    HE1  TRP 111           HE1      TRP 111   6.375  -2.050  -2.050
  834    HE3  TRP 111           HE3      TRP 111   7.379   0.533   0.533
  835    HZ2  TRP 111           HZ2      TRP 111   5.573   0.694   0.694
  836    HZ3  TRP 111           HZ3      TRP 111   6.447   2.645   2.645
  837    HH2  TRP 111           HH2      TRP 111   5.546   2.732   2.732
  838    H    LEU 112           HN       LEU 112   9.910  -1.831  -1.831
  839    HA   LEU 112           HA       LEU 112   9.670   1.055   1.055
  840   1HB   LEU 112           HB2      LEU 112  10.499  -1.115  -1.115
  841   2HB   LEU 112           HB1      LEU 112  10.663   0.580   0.580
  842    HG   LEU 112           HG       LEU 112   8.082  -0.621  -0.621
  843   1HD1  LEU 112          HD13      LEU 112   8.812  -1.669  -1.669
  844   2HD1  LEU 112          HD12      LEU 112   8.883  -0.061  -0.061
  845   3HD1  LEU 112          HD11      LEU 112   7.339  -0.713  -0.713
  846   1HD2  LEU 112          HD23      LEU 112   8.843   1.995   1.995
  847   2HD2  LEU 112          HD22      LEU 112   8.140   1.765   1.765
  848   3HD2  LEU 112          HD21      LEU 112   7.173   1.453   1.453
  849    H    LYS 113           HN       LYS 113  12.439  -1.198  -1.198
  850    HA   LYS 113           HA       LYS 113  14.321   1.107   1.107
  851   1HB   LYS 113           HB2      LYS 113  14.261  -1.630  -1.630
  852   2HB   LYS 113           HB1      LYS 113  15.736  -1.294  -1.294
  853   1HG   LYS 113           HG2      LYS 113  16.447   0.322   0.322
  854   2HG   LYS 113           HG1      LYS 113  14.805   0.778   0.778
  855   1HD   LYS 113           HD2      LYS 113  14.566  -1.336  -1.336
  856   2HD   LYS 113           HD1      LYS 113  16.216  -1.778  -1.778
  857   1HE   LYS 113           HE2      LYS 113  17.114   0.132   0.132
  858   2HE   LYS 113           HE1      LYS 113  15.475   0.726   0.726
  859   1HZ   LYS 113           HZ3      LYS 113  16.512  -1.942  -1.942
  860   2HZ   LYS 113           HZ2      LYS 113  16.376  -0.607  -0.607
  861   3HZ   LYS 113           HZ1      LYS 113  14.982  -1.307  -1.307
  862    H    LYS 114           HN       LYS 114  12.623  -0.152  -0.152
  863    HA   LYS 114           HA       LYS 114  14.826  -0.989  -0.989
  864   1HB   LYS 114           HB2      LYS 114  11.883  -1.281  -1.281
  865   2HB   LYS 114           HB1      LYS 114  12.507  -1.130  -1.130
  866   1HG   LYS 114           HG2      LYS 114  13.772  -3.030  -3.030
  867   2HG   LYS 114           HG1      LYS 114  12.364  -3.509  -3.509
  868   1HD   LYS 114           HD2      LYS 114  13.530  -3.150  -3.150
  869   2HD   LYS 114           HD1      LYS 114  14.875  -2.365  -2.365
  870   1HE   LYS 114           HE2      LYS 114  14.996  -4.682  -4.682
  871   2HE   LYS 114           HE1      LYS 114  14.204  -5.280  -5.280
  872   1HZ   LYS 114           HZ1      LYS 114  15.896  -4.130  -4.130
  873   2HZ   LYS 114           HZ3      LYS 114  16.679  -3.637  -3.637
  874   3HZ   LYS 114           HZ2      LYS 114  16.597  -5.287  -5.287
  875    H    ARG 115           HN       ARG 115  12.529   1.629   1.629
  876    HA   ARG 115           HA       ARG 115  13.286   2.970   2.970
  877   1HB   ARG 115           HB2      ARG 115  11.238   3.251   3.251
  878   2HB   ARG 115           HB1      ARG 115  11.624   4.680   4.680
  879   1HG   ARG 115           HG2      ARG 115  11.379   2.513   2.513
  880   2HG   ARG 115           HG1      ARG 115   9.995   2.427   2.427
  881   1HD   ARG 115           HD2      ARG 115   9.373   4.719   4.719
  882   2HD   ARG 115           HD1      ARG 115  10.858   4.960   4.960
  883    HE   ARG 115           HE       ARG 115   8.938   2.816   2.816
  884   1HH1  ARG 115          HH21      ARG 115  11.576   3.976   3.976
  885   2HH1  ARG 115          HH22      ARG 115  10.866   4.754   4.754
  886   1HH2  ARG 115          HH11      ARG 115   7.631   4.568   4.568
  887   2HH2  ARG 115          HH12      ARG 115   8.632   5.088   5.088
  888    H    THR 116           HN       THR 116  14.050   3.051   3.051
  889    HA   THR 116           HA       THR 116  15.090   5.765   5.765
  890    HB   THR 116           HB       THR 116  16.162   4.719   4.719
  891    HG1  THR 116           HG1      THR 116  15.854   2.671   2.671
  892   1HG2  THR 116          HG23      THR 116  13.163   4.679   4.679
  893   2HG2  THR 116          HG22      THR 116  13.961   4.719   4.719
  894   3HG2  THR 116          HG21      THR 116  14.123   6.083   6.083
  895    H    GLY 117           HN       GLY 117  16.758   2.589   2.589
  896   1HA   GLY 117           HA2      GLY 117  18.826   1.935   1.935
  897   2HA   GLY 117           HA1      GLY 117  18.781   3.388   3.388
  898    HA   PRO 118           HA       PRO 118  21.978   3.941   3.941
  899   1HB   PRO 118           HB2      PRO 118  24.031   4.625   4.625
  900   2HB   PRO 118           HB1      PRO 118  23.665   2.949   2.949
  901   1HG   PRO 118           HG2      PRO 118  23.010   4.441   4.441
  902   2HG   PRO 118           HG1      PRO 118  23.487   2.750   2.750
  903   1HD   PRO 118           HD2      PRO 118  20.911   3.569   3.569
  904   2HD   PRO 118           HD1      PRO 118  21.350   2.064   2.064
  905    H    ALA 119           HN       ALA 119  20.238   5.800   5.800
  906    HA   ALA 119           HA       ALA 119  21.392   8.313   8.313
  907   1HB   ALA 119           HB1      ALA 119  19.038   7.430   7.430
  908   2HB   ALA 119           HB3      ALA 119  18.595   7.874   7.874
  909   3HB   ALA 119           HB2      ALA 119  19.146   9.112   9.112
  910    H    ALA 120           HN       ALA 120  22.716   7.550   7.550
  911    HA   ALA 120           HA       ALA 120  21.401   8.797   8.797
  912   1HB   ALA 120           HB3      ALA 120  22.998   6.578   6.578
  913   2HB   ALA 120           HB2      ALA 120  24.146   7.760   7.760
  914   3HB   ALA 120           HB1      ALA 120  22.711   7.340   7.340

  Start of MODEL   32
    1   1H    ASP   1           HT2      ASP   1 -13.214  -4.107  -4.107
    2   2H    ASP   1           HT1      ASP   1 -14.739  -3.384  -3.384
    3   3H    ASP   1           HT3      ASP   1 -13.781  -3.728  -3.728
    4    HA   ASP   1           HA       ASP   1 -13.612  -1.389  -1.389
    5   1HB   ASP   1           HB2      ASP   1 -14.399  -1.853  -1.853
    6   2HB   ASP   1           HB1      ASP   1 -12.705  -2.167  -2.167
    7    H    ALA   2           HN       ALA   2 -11.447  -0.195  -0.195
    8    HA   ALA   2           HA       ALA   2  -9.017  -1.782  -1.782
    9   1HB   ALA   2           HB2      ALA   2 -10.386  -1.546  -1.546
   10   2HB   ALA   2           HB1      ALA   2  -8.774  -0.839  -0.839
   11   3HB   ALA   2           HB3      ALA   2  -8.972  -2.517  -2.517
   12    HA   PRO   3           HA       PRO   3  -8.328   2.637   2.637
   13   1HB   PRO   3           HB2      PRO   3  -6.196   2.272   2.272
   14   2HB   PRO   3           HB1      PRO   3  -7.883   2.147   2.147
   15   1HG   PRO   3           HG2      PRO   3  -5.933  -0.005  -0.005
   16   2HG   PRO   3           HG1      PRO   3  -7.154   0.051   0.051
   17   1HD   PRO   3           HD1      PRO   3  -7.472  -1.332  -1.332
   18   2HD   PRO   3           HD2      PRO   3  -8.821  -0.685  -0.685
   19    H    GLU   4           HN       GLU   4  -6.259   3.987   3.987
   20    HA   GLU   4           HA       GLU   4  -5.066   3.603   3.603
   21   1HB   GLU   4           HB1      GLU   4  -5.143   5.591   5.591
   22   2HB   GLU   4           HB2      GLU   4  -3.627   4.918   4.918
   23   1HG   GLU   4           HG1      GLU   4  -4.203   6.313   6.313
   24   2HG   GLU   4           HG2      GLU   4  -2.695   6.203   6.203
   25    H    GLU   5           HN       GLU   5  -2.995   2.832   2.832
   26    HA   GLU   5           HA       GLU   5  -1.159   1.355   1.355
   27   1HB   GLU   5           HB1      GLU   5  -1.222   1.688   1.688
   28   2HB   GLU   5           HB2      GLU   5   0.177   1.396   1.396
   29   1HG   GLU   5           HG2      GLU   5   0.015   3.611   3.611
   30   2HG   GLU   5           HG1      GLU   5  -1.507   3.914   3.914
   31    H    GLU   6           HN       GLU   6  -0.622  -0.856  -0.856
   32    HA   GLU   6           HA       GLU   6  -2.259  -2.491  -2.491
   33   1HB   GLU   6           HB2      GLU   6  -2.824  -2.042  -2.042
   34   2HB   GLU   6           HB1      GLU   6  -2.892  -3.712  -3.712
   35   1HG   GLU   6           HG2      GLU   6  -4.181  -2.136  -2.136
   36   2HG   GLU   6           HG1      GLU   6  -4.806  -1.618  -1.618
   37    H    ASP   7           HN       ASP   7  -0.424  -3.618  -3.618
   38    HA   ASP   7           HA       ASP   7   1.441  -5.071  -5.071
   39   1HB   ASP   7           HB2      ASP   7   1.236  -6.793  -6.793
   40   2HB   ASP   7           HB1      ASP   7   0.138  -5.764  -5.764
   41    H    HIS   8           HN       HIS   8   2.470  -2.735  -2.735
   42    HA   HIS   8           HA       HIS   8   4.168  -1.545  -1.545
   43   1HB   HIS   8           HB2      HIS   8   4.611  -4.351  -4.351
   44   2HB   HIS   8           HB1      HIS   8   5.789  -3.041  -3.041
   45    HD1  HIS   8           HD1      HIS   8   3.753  -4.879  -4.879
   46    HD2  HIS   8           HD2      HIS   8   7.395  -2.892  -2.892
   47    HE1  HIS   8           HE1      HIS   8   4.962  -5.137  -5.137
   48    H    VAL   9           HN       VAL   9   1.447  -2.181  -2.181
   49    HA   VAL   9           HA       VAL   9   2.404  -1.324  -1.324
   50    HB   VAL   9           HB       VAL   9   0.067  -3.126  -3.126
   51   1HG1  VAL   9          HG11      VAL   9   0.433  -1.526  -1.526
   52   2HG1  VAL   9          HG13      VAL   9   0.979  -3.123  -3.123
   53   3HG1  VAL   9          HG12      VAL   9  -0.650  -2.909  -2.909
   54   1HG2  VAL   9          HG21      VAL   9   2.624  -3.892  -3.892
   55   2HG2  VAL   9          HG23      VAL   9   1.376  -4.948  -4.948
   56   3HG2  VAL   9          HG22      VAL   9   2.401  -4.002  -4.002
   57    H    LEU  10           HN       LEU  10   1.000   0.253   0.253
   58    HA   LEU  10           HA       LEU  10  -0.582   1.834   1.834
   59   1HB   LEU  10           HB1      LEU  10   1.147   2.340   2.340
   60   2HB   LEU  10           HB2      LEU  10  -0.446   2.829   2.829
   61    HG   LEU  10           HG       LEU  10   0.667   4.709   4.709
   62   1HD1  LEU  10          HD21      LEU  10  -1.869   4.139   4.139
   63   2HD1  LEU  10          HD23      LEU  10  -1.433   3.731   3.731
   64   3HD1  LEU  10          HD22      LEU  10  -1.163   5.365   5.365
   65   1HD2  LEU  10          HD12      LEU  10   1.165   2.597   2.597
   66   2HD2  LEU  10          HD11      LEU  10   2.129   4.018   4.018
   67   3HD2  LEU  10          HD13      LEU  10   0.725   4.175   4.175
   68    H    VAL  11           HN       VAL  11  -2.765   2.475   2.475
   69    HA   VAL  11           HA       VAL  11  -4.193   0.937   0.937
   70    HB   VAL  11           HB       VAL  11  -5.974   0.511   0.511
   71   1HG1  VAL  11          HG12      VAL  11  -4.189  -1.141  -1.141
   72   2HG1  VAL  11          HG11      VAL  11  -3.283  -0.685  -0.685
   73   3HG1  VAL  11          HG13      VAL  11  -4.870  -1.436  -1.436
   74   1HG2  VAL  11          HG23      VAL  11  -4.491   2.314   2.314
   75   2HG2  VAL  11          HG22      VAL  11  -5.715   1.226   1.226
   76   3HG2  VAL  11          HG21      VAL  11  -4.014   0.764   0.764
   77    H    LEU  12           HN       LEU  12  -5.547   2.300   2.300
   78    HA   LEU  12           HA       LEU  12  -6.193   4.943   4.943
   79   1HB   LEU  12           HB1      LEU  12  -5.908   4.095   4.095
   80   2HB   LEU  12           HB2      LEU  12  -6.318   5.721   5.721
   81    HG   LEU  12           HG       LEU  12  -3.985   5.794   5.794
   82   1HD1  LEU  12          HD13      LEU  12  -4.781   6.601   6.601
   83   2HD1  LEU  12          HD12      LEU  12  -3.981   5.157   5.157
   84   3HD1  LEU  12          HD11      LEU  12  -3.048   6.380   6.380
   85   1HD2  LEU  12          HD23      LEU  12  -4.037   3.090   3.090
   86   2HD2  LEU  12          HD22      LEU  12  -2.554   4.040   4.040
   87   3HD2  LEU  12          HD21      LEU  12  -3.204   3.552   3.552
   88    H    ARG  13           HN       ARG  13  -8.277   5.889   5.889
   89    HA   ARG  13           HA       ARG  13 -10.270   3.910   3.910
   90   1HB   ARG  13           HB1      ARG  13 -11.670   4.127   4.127
   91   2HB   ARG  13           HB2      ARG  13 -10.047   3.737   3.737
   92   1HG   ARG  13           HG2      ARG  13  -9.742   6.327   6.327
   93   2HG   ARG  13           HG1      ARG  13 -11.506   6.363   6.363
   94   1HD   ARG  13           HD2      ARG  13 -10.128   4.491   4.491
   95   2HD   ARG  13           HD1      ARG  13 -10.309   6.206   6.206
   96    HE   ARG  13           HE       ARG  13 -12.672   4.606   4.606
   97   1HH1  ARG  13          HH11      ARG  13 -12.467   7.595   7.595
   98   2HH1  ARG  13          HH12      ARG  13 -13.227   7.452   7.452
   99   1HH2  ARG  13          HH21      ARG  13 -13.043   3.990   3.990
  100   2HH2  ARG  13          HH22      ARG  13 -13.554   5.412   5.412
  101    H    LYS  14           HN       LYS  14 -12.470   5.668   5.668
  102    HA   LYS  14           HA       LYS  14 -12.635   7.395   7.395
  103   1HB   LYS  14           HB2      LYS  14 -14.200   6.532   6.532
  104   2HB   LYS  14           HB1      LYS  14 -14.421   8.260   8.260
  105   1HG   LYS  14           HG1      LYS  14 -14.713   7.630   7.630
  106   2HG   LYS  14           HG2      LYS  14 -14.948   5.984   5.984
  107   1HD   LYS  14           HD2      LYS  14 -17.133   6.946   6.946
  108   2HD   LYS  14           HD1      LYS  14 -16.708   6.952   6.952
  109   1HE   LYS  14           HE2      LYS  14 -17.090   9.189   9.189
  110   2HE   LYS  14           HE1      LYS  14 -15.699   9.379   9.379
  111   1HZ   LYS  14           HZ3      LYS  14 -18.425   8.618   8.618
  112   2HZ   LYS  14           HZ2      LYS  14 -17.820  10.205  10.205
  113   3HZ   LYS  14           HZ1      LYS  14 -17.091   8.982   8.982
  114    H    SER  15           HN       SER  15 -11.043   7.906   7.906
  115    HA   SER  15           HA       SER  15 -10.934  10.846  10.846
  116   1HB   SER  15           HB1      SER  15 -12.406   9.997   9.997
  117   2HB   SER  15           HB2      SER  15 -10.888   9.634   9.634
  118    HG   SER  15           HG       SER  15 -10.781  11.656  11.656
  119    H    ASN  16           HN       ASN  16  -9.131   7.970   7.970
  120    HA   ASN  16           HA       ASN  16  -6.753   9.519   9.519
  121   1HB   ASN  16           HB1      ASN  16  -7.208   6.547   6.547
  122   2HB   ASN  16           HB2      ASN  16  -5.843   7.280   7.280
  123   1HD2  ASN  16          HD22      ASN  16  -8.196   6.414   6.414
  124   2HD2  ASN  16          HD21      ASN  16  -7.136   5.612   5.612
  125    H    PHE  17           HN       PHE  17  -8.061   8.177   8.177
  126    HA   PHE  17           HA       PHE  17  -5.688   7.520   7.520
  127   1HB   PHE  17           HB2      PHE  17  -8.030   7.036   7.036
  128   2HB   PHE  17           HB1      PHE  17  -8.292   8.754   8.754
  129    HD1  PHE  17           HD2      PHE  17  -6.873   9.949   9.949
  130    HD2  PHE  17           HD1      PHE  17  -6.967   5.673   5.673
  131    HE1  PHE  17           HE2      PHE  17  -5.923   9.721   9.721
  132    HE2  PHE  17           HE1      PHE  17  -6.018   5.444   5.444
  133    HZ   PHE  17           HZ       PHE  17  -5.490   7.484   7.484
  134    H    ALA  18           HN       ALA  18  -7.594  10.542  10.542
  135    HA   ALA  18           HA       ALA  18  -5.891  12.108  12.108
  136   1HB   ALA  18           HB2      ALA  18  -8.203  12.580  12.580
  137   2HB   ALA  18           HB1      ALA  18  -7.341  13.099  13.099
  138   3HB   ALA  18           HB3      ALA  18  -7.095  13.949  13.949
  139    H    GLU  19           HN       GLU  19  -5.473  11.102  11.102
  140    HA   GLU  19           HA       GLU  19  -3.373  13.040  13.040
  141   1HB   GLU  19           HB1      GLU  19  -4.981  11.956  11.956
  142   2HB   GLU  19           HB2      GLU  19  -4.164  10.423  10.423
  143   1HG   GLU  19           HG2      GLU  19  -2.050  11.373  11.373
  144   2HG   GLU  19           HG1      GLU  19  -2.829  12.937  12.937
  145    H    ALA  20           HN       ALA  20  -3.445   9.491   9.491
  146    HA   ALA  20           HA       ALA  20  -0.705   8.938   8.938
  147   1HB   ALA  20           HB2      ALA  20  -3.062   7.617   7.617
  148   2HB   ALA  20           HB1      ALA  20  -2.261   7.542   7.542
  149   3HB   ALA  20           HB3      ALA  20  -1.462   6.888   6.888
  150    H    LEU  21           HN       LEU  21  -2.633  10.270  10.270
  151    HA   LEU  21           HA       LEU  21  -0.608  10.031  10.031
  152   1HB   LEU  21           HB2      LEU  21  -3.196  11.434  11.434
  153   2HB   LEU  21           HB1      LEU  21  -2.168  12.073  12.073
  154    HG   LEU  21           HG       LEU  21  -3.825  10.325  10.325
  155   1HD1  LEU  21          HD21      LEU  21  -0.855  10.075  10.075
  156   2HD1  LEU  21          HD23      LEU  21  -1.921   8.891   8.891
  157   3HD1  LEU  21          HD22      LEU  21  -2.075  10.598  10.598
  158   1HD2  LEU  21          HD11      LEU  21  -3.245   8.955   8.955
  159   2HD2  LEU  21          HD13      LEU  21  -3.747   8.138   8.138
  160   3HD2  LEU  21          HD12      LEU  21  -2.036   8.228   8.228
  161    H    ALA  22           HN       ALA  22  -1.496  12.633  12.633
  162    HA   ALA  22           HA       ALA  22   0.776  14.286  14.286
  163   1HB   ALA  22           HB3      ALA  22  -1.853  14.765  14.765
  164   2HB   ALA  22           HB2      ALA  22  -0.827  15.388  15.388
  165   3HB   ALA  22           HB1      ALA  22  -0.627  15.982  15.982
  166    H    ALA  23           HN       ALA  23   0.410  11.870  11.870
  167    HA   ALA  23           HA       ALA  23   1.785  13.111  13.111
  168   1HB   ALA  23           HB1      ALA  23   0.083  11.239  11.239
  169   2HB   ALA  23           HB3      ALA  23   1.290  10.190  10.190
  170   3HB   ALA  23           HB2      ALA  23   1.586  10.876  10.876
  171    H    HIS  24           HN       HIS  24   2.634  10.556  10.556
  172    HA   HIS  24           HA       HIS  24   5.497  11.396  11.396
  173   1HB   HIS  24           HB1      HIS  24   4.144   8.833   8.833
  174   2HB   HIS  24           HB2      HIS  24   5.614   8.684   8.684
  175    HD1  HIS  24           HD1      HIS  24   4.421  10.245  10.245
  176    HD2  HIS  24           HD2      HIS  24   7.961   8.962   8.962
  177    HE1  HIS  24           HE1      HIS  24   6.225  10.430  10.430
  178    H    LYS  25           HN       LYS  25   6.637  11.315  11.315
  179    HA   LYS  25           HA       LYS  25   5.297  11.582  11.582
  180   1HB   LYS  25           HB2      LYS  25   8.068  10.860  10.860
  181   2HB   LYS  25           HB1      LYS  25   7.682  10.778  10.778
  182   1HG   LYS  25           HG1      LYS  25   6.828  13.126  13.126
  183   2HG   LYS  25           HG2      LYS  25   7.368  13.194  13.194
  184   1HD   LYS  25           HD2      LYS  25   9.213  12.504  12.504
  185   2HD   LYS  25           HD1      LYS  25   9.003  14.149  14.149
  186   1HE   LYS  25           HE2      LYS  25   9.836  13.536  13.536
  187   2HE   LYS  25           HE1      LYS  25   9.838  11.814  11.814
  188   1HZ   LYS  25           HZ2      LYS  25  11.368  13.908  13.908
  189   2HZ   LYS  25           HZ1      LYS  25  12.040  12.882  12.882
  190   3HZ   LYS  25           HZ3      LYS  25  11.432  12.231  12.231
  191    H    TYR  26           HN       TYR  26   7.175   8.665   8.665
  192    HA   TYR  26           HA       TYR  26   5.802   7.070   7.070
  193   1HB   TYR  26           HB1      TYR  26   7.843   6.427   6.427
  194   2HB   TYR  26           HB2      TYR  26   7.390   5.344   5.344
  195    HD1  TYR  26           HD2      TYR  26   7.154   7.255   7.255
  196    HD2  TYR  26           HD1      TYR  26  10.080   7.005   7.005
  197    HE1  TYR  26           HE2      TYR  26   8.818   8.369   8.369
  198    HE2  TYR  26           HE1      TYR  26  11.742   8.120   8.120
  199    HH   TYR  26           HH       TYR  26  11.941   9.396   9.396
  200    H    LEU  27           HN       LEU  27   3.708   6.493   6.493
  201    HA   LEU  27           HA       LEU  27   3.352   5.187   5.187
  202   1HB   LEU  27           HB1      LEU  27   2.381   7.659   7.659
  203   2HB   LEU  27           HB2      LEU  27   1.021   6.595   6.595
  204    HG   LEU  27           HG       LEU  27   0.908   7.419   7.419
  205   1HD1  LEU  27          HD21      LEU  27   0.564   4.841   4.841
  206   2HD1  LEU  27          HD23      LEU  27   1.673   4.615   4.615
  207   3HD1  LEU  27          HD22      LEU  27   0.125   5.419   5.419
  208   1HD2  LEU  27          HD13      LEU  27   3.522   7.499   7.499
  209   2HD2  LEU  27          HD12      LEU  27   2.629   7.102   7.102
  210   3HD2  LEU  27          HD11      LEU  27   3.382   5.818   5.818
  211    H    LEU  28           HN       LEU  28   3.118   3.068   3.068
  212    HA   LEU  28           HA       LEU  28   1.764   2.288   2.288
  213   1HB   LEU  28           HB2      LEU  28   3.651   1.241   1.241
  214   2HB   LEU  28           HB1      LEU  28   2.223   0.268   0.268
  215    HG   LEU  28           HG       LEU  28   3.634  -0.711  -0.711
  216   1HD1  LEU  28          HD23      LEU  28   0.803  -0.070  -0.070
  217   2HD1  LEU  28          HD22      LEU  28   1.482  -0.287  -0.287
  218   3HD1  LEU  28          HD21      LEU  28   1.625  -1.572  -1.572
  219   1HD2  LEU  28          HD13      LEU  28   4.198   1.711   1.711
  220   2HD2  LEU  28          HD12      LEU  28   4.062   0.395   0.395
  221   3HD2  LEU  28          HD11      LEU  28   2.723   1.522   1.522
  222    H    VAL  29           HN       VAL  29  -0.370   1.596   1.596
  223    HA   VAL  29           HA       VAL  29  -1.942   1.250   1.250
  224    HB   VAL  29           HB       VAL  29  -2.745   2.909   2.909
  225   1HG1  VAL  29          HG21      VAL  29  -4.069   2.061   2.061
  226   2HG1  VAL  29          HG23      VAL  29  -4.372   3.705   3.705
  227   3HG1  VAL  29          HG22      VAL  29  -4.770   2.333   2.333
  228   1HG2  VAL  29          HG11      VAL  29  -1.756   3.741   3.741
  229   2HG2  VAL  29          HG13      VAL  29  -0.922   4.000   4.000
  230   3HG2  VAL  29          HG12      VAL  29  -2.435   4.842   4.842
  231    H    GLU  30           HN       GLU  30  -3.112  -0.610  -0.610
  232    HA   GLU  30           HA       GLU  30  -3.752  -1.741  -1.741
  233   1HB   GLU  30           HB2      GLU  30  -2.081  -3.041  -3.041
  234   2HB   GLU  30           HB1      GLU  30  -3.061  -3.035  -3.035
  235   1HG   GLU  30           HG1      GLU  30  -4.780  -4.375  -4.375
  236   2HG   GLU  30           HG2      GLU  30  -3.919  -4.292  -4.292
  237    H    PHE  31           HN       PHE  31  -5.889  -2.451  -2.451
  238    HA   PHE  31           HA       PHE  31  -7.820  -1.803  -1.803
  239   1HB   PHE  31           HB2      PHE  31  -7.956  -1.901  -1.901
  240   2HB   PHE  31           HB1      PHE  31  -9.391  -1.729  -1.729
  241    HD1  PHE  31           HD1      PHE  31  -9.430   0.200   0.200
  242    HD2  PHE  31           HD2      PHE  31  -6.640  -0.023  -0.023
  243    HE1  PHE  31           HE1      PHE  31  -8.993   2.633   2.633
  244    HE2  PHE  31           HE2      PHE  31  -6.202   2.409   2.409
  245    HZ   PHE  31           HZ       PHE  31  -7.373   3.736   3.736
  246    H    TYR  32           HN       TYR  32  -8.550  -3.639  -3.639
  247    HA   TYR  32           HA       TYR  32  -9.360  -5.967  -5.967
  248   1HB   TYR  32           HB2      TYR  32  -7.952  -7.493  -7.493
  249   2HB   TYR  32           HB1      TYR  32  -6.932  -6.181  -6.181
  250    HD1  TYR  32           HD2      TYR  32  -6.703  -4.112  -4.112
  251    HD2  TYR  32           HD1      TYR  32  -7.866  -8.059  -8.059
  252    HE1  TYR  32           HE2      TYR  32  -6.016  -3.589  -3.589
  253    HE2  TYR  32           HE1      TYR  32  -7.177  -7.536  -7.536
  254    HH   TYR  32           HH       TYR  32  -5.522  -5.894  -5.894
  255    H    ALA  33           HN       ALA  33 -10.023  -7.758  -7.758
  256    HA   ALA  33           HA       ALA  33 -11.722  -6.245  -6.245
  257   1HB   ALA  33           HB2      ALA  33 -12.896  -7.031  -7.031
  258   2HB   ALA  33           HB1      ALA  33 -12.552  -8.682  -8.682
  259   3HB   ALA  33           HB3      ALA  33 -13.586  -7.649  -7.649
  260    HA   PRO  34           HA       PRO  34 -10.224  -9.183  -9.183
  261   1HB   PRO  34           HB2      PRO  34 -12.408  -9.544  -9.544
  262   2HB   PRO  34           HB1      PRO  34 -11.408  -8.080  -8.080
  263   1HG   PRO  34           HG2      PRO  34 -14.029  -8.564  -8.564
  264   2HG   PRO  34           HG1      PRO  34 -13.465  -7.136  -7.136
  265   1HD   PRO  34           HD1      PRO  34 -13.506  -7.261  -7.261
  266   2HD   PRO  34           HD2      PRO  34 -12.310  -6.308  -6.308
  267    H    TRP  35           HN       TRP  35 -13.019  -9.865  -9.865
  268    HA   TRP  35           HA       TRP  35 -13.020 -12.737 -12.737
  269   1HB   TRP  35           HB2      TRP  35 -15.063 -12.766 -12.766
  270   2HB   TRP  35           HB1      TRP  35 -15.131 -11.454 -11.454
  271    HD1  TRP  35           HD1      TRP  35 -15.352  -9.051  -9.051
  272    HE1  TRP  35           HE1      TRP  35 -15.450  -7.998  -7.998
  273    HE3  TRP  35           HE3      TRP  35 -14.080 -13.103 -13.103
  274    HZ2  TRP  35           HZ2      TRP  35 -15.043  -8.770  -8.770
  275    HZ3  TRP  35           HZ3      TRP  35 -13.943 -12.915 -12.915
  276    HH2  TRP  35           HH2      TRP  35 -14.423 -10.756 -10.756
  277    H    CYS  36           HN       CYS  36 -11.493 -10.696 -10.696
  278    HA   CYS  36           HA       CYS  36 -11.498 -12.062 -12.062
  279   1HB   CYS  36           HB2      CYS  36 -10.342  -9.945  -9.945
  280   2HB   CYS  36           HB1      CYS  36  -9.189 -10.798 -10.798
  281    H    GLY  37           HN       GLY  37  -9.972 -13.680 -13.680
  282   1HA   GLY  37           HA2      GLY  37  -9.085 -15.617 -15.617
  283   2HA   GLY  37           HA1      GLY  37  -9.606 -16.089 -16.089
  284    H    HIS  38           HN       HIS  38  -8.188 -14.223 -14.223
  285    HA   HIS  38           HA       HIS  38  -5.498 -15.391 -15.391
  286   1HB   HIS  38           HB2      HIS  38  -7.192 -13.793 -13.793
  287   2HB   HIS  38           HB1      HIS  38  -5.455 -13.522 -13.522
  288    HD1  HIS  38           HD1      HIS  38  -3.993 -15.841 -15.841
  289    HD2  HIS  38           HD2      HIS  38  -8.052 -16.087 -16.087
  290    HE1  HIS  38           HE1      HIS  38  -4.298 -17.975 -17.975
  291    H    CYS  39           HN       CYS  39  -6.783 -12.982 -12.982
  292    HA   CYS  39           HA       CYS  39  -4.571 -11.038 -11.038
  293   1HB   CYS  39           HB2      CYS  39  -7.025 -11.183 -11.183
  294   2HB   CYS  39           HB1      CYS  39  -5.925  -9.805  -9.805
  295    H    LYS  40           HN       LYS  40  -5.480 -13.738 -13.738
  296    HA   LYS  40           HA       LYS  40  -3.795 -12.999 -12.999
  297   1HB   LYS  40           HB2      LYS  40  -5.029 -15.653 -15.653
  298   2HB   LYS  40           HB1      LYS  40  -4.476 -15.206 -15.206
  299   1HG   LYS  40           HG1      LYS  40  -6.634 -13.687 -13.687
  300   2HG   LYS  40           HG2      LYS  40  -6.980 -15.004 -15.004
  301   1HD   LYS  40           HD2      LYS  40  -5.216 -12.721 -12.721
  302   2HD   LYS  40           HD1      LYS  40  -6.970 -12.543 -12.543
  303   1HE   LYS  40           HE2      LYS  40  -7.167 -13.895 -13.895
  304   2HE   LYS  40           HE1      LYS  40  -6.019 -15.080 -15.080
  305   1HZ   LYS  40           HZ2      LYS  40  -4.237 -13.429 -13.429
  306   2HZ   LYS  40           HZ1      LYS  40  -5.379 -12.485 -12.485
  307   3HZ   LYS  40           HZ3      LYS  40  -4.987 -14.035 -14.035
  308    H    ALA  41           HN       ALA  41  -3.410 -14.751 -14.751
  309    HA   ALA  41           HA       ALA  41  -1.182 -16.396 -16.396
  310   1HB   ALA  41           HB3      ALA  41  -2.630 -16.138 -16.138
  311   2HB   ALA  41           HB2      ALA  41  -1.582 -14.782 -14.782
  312   3HB   ALA  41           HB1      ALA  41  -0.907 -16.404 -16.404
  313    H    LEU  42           HN       LEU  42  -1.140 -13.047 -13.047
  314    HA   LEU  42           HA       LEU  42   1.736 -12.832 -12.832
  315   1HB   LEU  42           HB1      LEU  42   0.511 -12.163 -12.163
  316   2HB   LEU  42           HB2      LEU  42   0.079 -10.708 -10.708
  317    HG   LEU  42           HG       LEU  42   2.559 -10.500 -10.500
  318   1HD1  LEU  42          HD11      LEU  42   2.687 -12.611 -12.611
  319   2HD1  LEU  42          HD13      LEU  42   4.074 -11.658 -11.658
  320   3HD1  LEU  42          HD12      LEU  42   3.278 -12.755 -12.755
  321   1HD2  LEU  42          HD21      LEU  42   1.313  -9.202  -9.202
  322   2HD2  LEU  42          HD23      LEU  42   3.052  -9.349  -9.349
  323   3HD2  LEU  42          HD22      LEU  42   1.940 -10.370 -10.370
  324    H    ALA  43           HN       ALA  43  -1.056 -12.425 -12.425
  325    HA   ALA  43           HA       ALA  43  -1.073  -9.813  -9.813
  326   1HB   ALA  43           HB1      ALA  43  -1.930 -12.534 -12.534
  327   2HB   ALA  43           HB3      ALA  43  -1.755 -11.405 -11.405
  328   3HB   ALA  43           HB2      ALA  43  -2.842 -11.024 -11.024
  329    HA   PRO  44           HA       PRO  44   2.018 -11.176 -11.176
  330   1HB   PRO  44           HB2      PRO  44   3.253 -13.609 -13.609
  331   2HB   PRO  44           HB1      PRO  44   1.723 -13.379 -13.379
  332   1HG   PRO  44           HG2      PRO  44   2.217 -14.412 -14.412
  333   2HG   PRO  44           HG1      PRO  44   1.037 -14.943 -14.943
  334   1HD   PRO  44           HD1      PRO  44   0.407 -13.366 -13.366
  335   2HD   PRO  44           HD2      PRO  44  -0.486 -13.346 -13.346
  336    H    GLU  45           HN       GLU  45   2.478 -11.437 -11.437
  337    HA   GLU  45           HA       GLU  45   5.443 -11.258 -11.258
  338   1HB   GLU  45           HB2      GLU  45   3.401 -11.523 -11.523
  339   2HB   GLU  45           HB1      GLU  45   5.119 -11.281 -11.281
  340   1HG   GLU  45           HG1      GLU  45   5.109 -13.582 -13.582
  341   2HG   GLU  45           HG2      GLU  45   5.308 -13.306 -13.306
  342    H    TYR  46           HN       TYR  46   2.574  -9.373  -9.373
  343    HA   TYR  46           HA       TYR  46   4.053  -7.030  -7.030
  344   1HB   TYR  46           HB2      TYR  46   1.967  -7.110  -7.110
  345   2HB   TYR  46           HB1      TYR  46   1.267  -7.994  -7.994
  346    HD1  TYR  46           HD1      TYR  46   0.444  -6.775  -6.775
  347    HD2  TYR  46           HD2      TYR  46   1.904  -4.708  -4.708
  348    HE1  TYR  46           HE1      TYR  46  -0.594  -4.676  -4.676
  349    HE2  TYR  46           HE2      TYR  46   0.865  -2.613  -2.613
  350    HH   TYR  46           HH       TYR  46  -1.403  -2.542  -2.542
  351    H    ALA  47           HN       ALA  47   2.995  -8.323  -8.323
  352    HA   ALA  47           HA       ALA  47   3.132  -5.739  -5.739
  353   1HB   ALA  47           HB2      ALA  47   1.543  -7.653  -7.653
  354   2HB   ALA  47           HB1      ALA  47   2.931  -8.564  -8.564
  355   3HB   ALA  47           HB3      ALA  47   2.441  -7.077  -7.077
  356    H    LYS  48           HN       LYS  48   5.261  -8.400  -8.400
  357    HA   LYS  48           HA       LYS  48   7.158  -7.817  -7.817
  358   1HB   LYS  48           HB2      LYS  48   6.608  -9.858  -9.858
  359   2HB   LYS  48           HB1      LYS  48   8.310  -9.402  -9.402
  360   1HG   LYS  48           HG2      LYS  48   8.775 -10.204 -10.204
  361   2HG   LYS  48           HG1      LYS  48   7.203  -9.728  -9.728
  362   1HD   LYS  48           HD2      LYS  48   6.228 -11.611 -11.611
  363   2HD   LYS  48           HD1      LYS  48   7.889 -12.179 -12.179
  364   1HE   LYS  48           HE2      LYS  48   7.483 -11.633 -11.633
  365   2HE   LYS  48           HE1      LYS  48   6.103 -12.599 -12.599
  366   1HZ   LYS  48           HZ3      LYS  48   7.781 -14.008 -14.008
  367   2HZ   LYS  48           HZ2      LYS  48   8.989 -13.206 -13.206
  368   3HZ   LYS  48           HZ1      LYS  48   7.812 -14.132 -14.132
  369    H    ALA  49           HN       ALA  49   6.724  -6.916  -6.916
  370    HA   ALA  49           HA       ALA  49   9.377  -6.042  -6.042
  371   1HB   ALA  49           HB1      ALA  49   7.028  -6.281  -6.281
  372   2HB   ALA  49           HB3      ALA  49   7.049  -4.535  -4.535
  373   3HB   ALA  49           HB2      ALA  49   8.374  -5.317  -5.317
  374    H    ALA  50           HN       ALA  50   6.684  -4.439  -4.439
  375    HA   ALA  50           HA       ALA  50   8.016  -1.842  -1.842
  376   1HB   ALA  50           HB2      ALA  50   5.460  -2.792  -2.792
  377   2HB   ALA  50           HB1      ALA  50   5.883  -2.551  -2.551
  378   3HB   ALA  50           HB3      ALA  50   5.969  -1.200  -1.200
  379    H    GLY  51           HN       GLY  51   8.138  -4.795  -4.795
  380   1HA   GLY  51           HA2      GLY  51   9.096  -3.516  -3.516
  381   2HA   GLY  51           HA1      GLY  51   8.969  -5.251  -5.251
  382    H    LYS  52           HN       LYS  52  10.465  -4.744  -4.744
  383    HA   LYS  52           HA       LYS  52  13.135  -5.195  -5.195
  384   1HB   LYS  52           HB2      LYS  52  13.700  -5.697  -5.697
  385   2HB   LYS  52           HB1      LYS  52  12.119  -6.394  -6.394
  386   1HG   LYS  52           HG1      LYS  52  11.265  -5.227  -5.227
  387   2HG   LYS  52           HG2      LYS  52  11.676  -3.731  -3.731
  388   1HD   LYS  52           HD2      LYS  52  12.726  -3.801  -3.801
  389   2HD   LYS  52           HD1      LYS  52  13.952  -3.821  -3.821
  390   1HE   LYS  52           HE2      LYS  52  13.263  -6.533  -6.533
  391   2HE   LYS  52           HE1      LYS  52  13.484  -5.788  -5.788
  392   1HZ   LYS  52           HZ2      LYS  52  15.351  -5.231  -5.231
  393   2HZ   LYS  52           HZ1      LYS  52  15.566  -6.591  -6.591
  394   3HZ   LYS  52           HZ3      LYS  52  15.601  -5.036  -5.036
  395    H    LEU  53           HN       LEU  53  11.362  -2.494  -2.494
  396    HA   LEU  53           HA       LEU  53  13.859  -0.909  -0.909
  397   1HB   LEU  53           HB2      LEU  53  12.392   0.622   0.622
  398   2HB   LEU  53           HB1      LEU  53  12.067  -1.015  -1.015
  399    HG   LEU  53           HG       LEU  53  10.256  -0.946  -0.946
  400   1HD1  LEU  53          HD13      LEU  53  11.131   1.844   1.844
  401   2HD1  LEU  53          HD12      LEU  53   9.384   1.615   1.615
  402   3HD1  LEU  53          HD11      LEU  53  10.271   1.099   1.099
  403   1HD2  LEU  53          HD22      LEU  53   9.975   0.390   0.390
  404   2HD2  LEU  53          HD21      LEU  53   9.723  -1.319  -1.319
  405   3HD2  LEU  53          HD23      LEU  53   8.618  -0.108  -0.108
  406    H    LYS  54           HN       LYS  54  11.186  -1.324  -1.324
  407    HA   LYS  54           HA       LYS  54  10.962   1.209   1.209
  408   1HB   LYS  54           HB2      LYS  54  10.236  -1.509  -1.509
  409   2HB   LYS  54           HB1      LYS  54  10.912  -0.872  -0.872
  410   1HG   LYS  54           HG2      LYS  54   9.393   1.063   1.063
  411   2HG   LYS  54           HG1      LYS  54   8.719   0.443   0.443
  412   1HD   LYS  54           HD2      LYS  54   7.264  -0.792  -0.792
  413   2HD   LYS  54           HD1      LYS  54   8.622  -1.683  -1.683
  414   1HE   LYS  54           HE2      LYS  54   7.837  -0.823  -0.823
  415   2HE   LYS  54           HE1      LYS  54   8.712   0.635   0.635
  416   1HZ   LYS  54           HZ3      LYS  54   5.939   0.038   0.038
  417   2HZ   LYS  54           HZ2      LYS  54   6.287   0.966   0.966
  418   3HZ   LYS  54           HZ1      LYS  54   6.783   1.501   1.501
  419    H    ALA  55           HN       ALA  55  13.292  -1.410  -1.410
  420    HA   ALA  55           HA       ALA  55  14.631  -0.207  -0.207
  421   1HB   ALA  55           HB3      ALA  55  14.845  -2.467  -2.467
  422   2HB   ALA  55           HB2      ALA  55  16.353  -1.612  -1.612
  423   3HB   ALA  55           HB1      ALA  55  15.928  -2.056  -2.056
  424    H    GLU  56           HN       GLU  56  14.976   0.341   0.341
  425    HA   GLU  56           HA       GLU  56  17.279   2.149   2.149
  426   1HB   GLU  56           HB1      GLU  56  15.569   1.303   1.303
  427   2HB   GLU  56           HB2      GLU  56  16.993   2.334   2.334
  428   1HG   GLU  56           HG2      GLU  56  17.276  -0.251  -0.251
  429   2HG   GLU  56           HG1      GLU  56  17.168  -0.314  -0.314
  430    H    GLY  57           HN       GLY  57  13.801   2.328   2.328
  431   1HA   GLY  57           HA1      GLY  57  12.371   4.173   4.173
  432   2HA   GLY  57           HA2      GLY  57  13.788   5.140   5.140
  433    H    SER  58           HN       SER  58  13.284   3.305   3.305
  434    HA   SER  58           HA       SER  58  14.150   5.415   5.415
  435   1HB   SER  58           HB1      SER  58  12.155   3.341   3.341
  436   2HB   SER  58           HB2      SER  58  13.607   3.899   3.899
  437    HG   SER  58           HG       SER  58  13.855   1.813   1.813
  438    H    GLU  59           HN       GLU  59  12.822   6.717   6.717
  439    HA   GLU  59           HA       GLU  59  10.523   7.922   7.922
  440   1HB   GLU  59           HB1      GLU  59  10.569   9.351   9.351
  441   2HB   GLU  59           HB2      GLU  59  12.189   9.148   9.148
  442   1HG   GLU  59           HG2      GLU  59  11.969   8.861   8.861
  443   2HG   GLU  59           HG1      GLU  59  12.785   7.555   7.555
  444    H    ILE  60           HN       ILE  60  10.837   5.150   5.150
  445    HA   ILE  60           HA       ILE  60   8.380   5.401   5.401
  446    HB   ILE  60           HB       ILE  60   9.868   2.894   2.894
  447   1HG1  ILE  60          HG11      ILE  60  10.573   3.958   3.958
  448   2HG1  ILE  60          HG12      ILE  60  10.963   5.120   5.120
  449   1HG2  ILE  60          HG22      ILE  60   8.170   3.654   3.654
  450   2HG2  ILE  60          HG21      ILE  60   9.066   2.142   2.142
  451   3HG2  ILE  60          HG23      ILE  60   7.753   2.499   2.499
  452   1HD1  ILE  60          HD13      ILE  60  11.781   2.200   2.200
  453   2HD1  ILE  60          HD12      ILE  60  12.835   3.534   3.534
  454   3HD1  ILE  60          HD11      ILE  60  12.236   3.423   3.423
  455    H    ARG  61           HN       ARG  61   6.481   4.024   4.024
  456    HA   ARG  61           HA       ARG  61   6.093   2.818   2.818
  457   1HB   ARG  61           HB2      ARG  61   5.182   5.519   5.519
  458   2HB   ARG  61           HB1      ARG  61   3.956   4.519   4.519
  459   1HG   ARG  61           HG2      ARG  61   6.072   4.005   4.005
  460   2HG   ARG  61           HG1      ARG  61   6.460   5.651   5.651
  461   1HD   ARG  61           HD2      ARG  61   4.399   6.507   6.507
  462   2HD   ARG  61           HD1      ARG  61   3.717   4.878   4.878
  463    HE   ARG  61           HE       ARG  61   6.141   5.699   5.699
  464   1HH1  ARG  61          HH21      ARG  61   4.963   2.910   2.910
  465   2HH1  ARG  61          HH22      ARG  61   4.018   3.021   3.021
  466   1HH2  ARG  61          HH11      ARG  61   4.054   6.487   6.487
  467   2HH2  ARG  61          HH12      ARG  61   3.503   5.044   5.044
  468    H    LEU  62           HN       LEU  62   4.670   1.131   1.131
  469    HA   LEU  62           HA       LEU  62   3.128   0.883   0.883
  470   1HB   LEU  62           HB1      LEU  62   3.730  -1.077  -1.077
  471   2HB   LEU  62           HB2      LEU  62   2.990  -1.484  -1.484
  472    HG   LEU  62           HG       LEU  62   5.647  -0.075  -0.075
  473   1HD1  LEU  62          HD23      LEU  62   5.067  -2.963  -2.963
  474   2HD1  LEU  62          HD22      LEU  62   6.546  -2.526  -2.526
  475   3HD1  LEU  62          HD21      LEU  62   6.237  -1.882  -1.882
  476   1HD2  LEU  62          HD13      LEU  62   3.918  -1.480  -1.480
  477   2HD2  LEU  62          HD12      LEU  62   5.155  -0.256  -0.256
  478   3HD2  LEU  62          HD11      LEU  62   5.615  -1.948  -1.948
  479    H    ALA  63           HN       ALA  63   0.818   0.229   0.229
  480    HA   ALA  63           HA       ALA  63  -0.476   0.549   0.549
  481   1HB   ALA  63           HB2      ALA  63  -0.009   2.768   2.768
  482   2HB   ALA  63           HB1      ALA  63  -1.587   2.292   2.292
  483   3HB   ALA  63           HB3      ALA  63  -1.382   2.611   2.611
  484    H    LYS  64           HN       LYS  64  -2.874   0.144   0.144
  485    HA   LYS  64           HA       LYS  64  -3.710  -1.315  -1.315
  486   1HB   LYS  64           HB1      LYS  64  -2.734  -2.504  -2.504
  487   2HB   LYS  64           HB2      LYS  64  -4.482  -2.734  -2.734
  488   1HG   LYS  64           HG2      LYS  64  -4.373  -3.639  -3.639
  489   2HG   LYS  64           HG1      LYS  64  -2.616  -3.488  -3.488
  490   1HD   LYS  64           HD2      LYS  64  -2.457  -5.072  -5.072
  491   2HD   LYS  64           HD1      LYS  64  -4.207  -5.095  -5.095
  492   1HE   LYS  64           HE1      LYS  64  -4.434  -6.041  -6.041
  493   2HE   LYS  64           HE2      LYS  64  -2.665  -6.102  -6.102
  494   1HZ   LYS  64           HZ2      LYS  64  -2.802  -7.301  -7.301
  495   2HZ   LYS  64           HZ1      LYS  64  -4.446  -7.541  -7.541
  496   3HZ   LYS  64           HZ3      LYS  64  -3.254  -8.184  -8.184
  497    H    VAL  65           HN       VAL  65  -6.060  -1.564  -1.564
  498    HA   VAL  65           HA       VAL  65  -7.564   0.149   0.149
  499    HB   VAL  65           HB       VAL  65  -7.821  -0.055  -0.055
  500   1HG1  VAL  65          HG11      VAL  65  -9.878   0.446   0.446
  501   2HG1  VAL  65          HG13      VAL  65  -9.280   2.069   2.069
  502   3HG1  VAL  65          HG12      VAL  65  -9.821   1.025   1.025
  503   1HG2  VAL  65          HG23      VAL  65  -6.540   1.857   1.857
  504   2HG2  VAL  65          HG22      VAL  65  -6.070   1.414   1.414
  505   3HG2  VAL  65          HG21      VAL  65  -7.394   2.550   2.550
  506    H    ASP  66           HN       ASP  66  -9.596  -0.635  -0.635
  507    HA   ASP  66           HA       ASP  66 -10.184  -3.443  -3.443
  508   1HB   ASP  66           HB1      ASP  66 -11.161  -1.552  -1.552
  509   2HB   ASP  66           HB2      ASP  66 -11.815  -3.175  -3.175
  510    H    ALA  67           HN       ALA  67 -11.092  -3.055  -3.055
  511    HA   ALA  67           HA       ALA  67 -12.902  -1.123  -1.123
  512   1HB   ALA  67           HB3      ALA  67 -11.870  -3.549  -3.549
  513   2HB   ALA  67           HB2      ALA  67 -13.611  -3.830  -3.830
  514   3HB   ALA  67           HB1      ALA  67 -12.943  -2.495  -2.495
  515    H    THR  68           HN       THR  68 -13.514  -3.796  -3.796
  516    HA   THR  68           HA       THR  68 -16.429  -3.621  -3.621
  517    HB   THR  68           HB       THR  68 -16.212  -5.179  -5.179
  518    HG1  THR  68           HG1      THR  68 -14.316  -5.458  -5.458
  519   1HG2  THR  68          HG22      THR  68 -16.221  -5.972  -5.972
  520   2HG2  THR  68          HG21      THR  68 -14.462  -5.857  -5.857
  521   3HG2  THR  68          HG23      THR  68 -15.263  -7.005  -7.005
  522    H    GLU  69           HN       GLU  69 -14.076  -1.646  -1.646
  523    HA   GLU  69           HA       GLU  69 -16.076  -0.691  -0.691
  524   1HB   GLU  69           HB2      GLU  69 -13.753  -1.888  -1.888
  525   2HB   GLU  69           HB1      GLU  69 -13.132  -0.258  -0.258
  526   1HG   GLU  69           HG2      GLU  69 -15.576  -0.513  -0.513
  527   2HG   GLU  69           HG1      GLU  69 -14.061  -1.079  -1.079
  528    H    GLU  70           HN       GLU  70 -13.645   0.167   0.167
  529    HA   GLU  70           HA       GLU  70 -14.802   2.912   2.912
  530   1HB   GLU  70           HB1      GLU  70 -12.380   3.735   3.735
  531   2HB   GLU  70           HB2      GLU  70 -12.909   3.139   3.139
  532   1HG   GLU  70           HG2      GLU  70 -10.685   2.238   2.238
  533   2HG   GLU  70           HG1      GLU  70 -11.868   0.952   0.952
  534    H    SER  71           HN       SER  71 -15.397   0.981   0.981
  535    HA   SER  71           HA       SER  71 -13.591   0.805   0.805
  536   1HB   SER  71           HB2      SER  71 -16.017   0.445   0.445
  537   2HB   SER  71           HB1      SER  71 -15.263  -0.778  -0.778
  538    HG   SER  71           HG       SER  71 -17.264   1.110   1.110
  539    H    ASP  72           HN       ASP  72 -15.548   3.396   3.396
  540    HA   ASP  72           HA       ASP  72 -16.418   4.801   4.801
  541   1HB   ASP  72           HB2      ASP  72 -15.504   5.363   5.363
  542   2HB   ASP  72           HB1      ASP  72 -15.306   6.738   6.738
  543    H    LEU  73           HN       LEU  73 -13.095   4.252   4.252
  544    HA   LEU  73           HA       LEU  73 -12.017   6.282   6.282
  545   1HB   LEU  73           HB2      LEU  73 -10.653   4.113   4.113
  546   2HB   LEU  73           HB1      LEU  73  -9.887   5.540   5.540
  547    HG   LEU  73           HG       LEU  73 -12.134   6.362   6.362
  548   1HD1  LEU  73          HD13      LEU  73 -11.140   3.994   3.994
  549   2HD1  LEU  73          HD12      LEU  73 -10.162   5.182   5.182
  550   3HD1  LEU  73          HD11      LEU  73 -11.921   5.235   5.235
  551   1HD2  LEU  73          HD21      LEU  73  -9.135   6.704   6.704
  552   2HD2  LEU  73          HD23      LEU  73 -10.345   7.872   7.872
  553   3HD2  LEU  73          HD22      LEU  73 -10.197   7.468   7.468
  554    H    ALA  74           HN       ALA  74 -12.208   2.753   2.753
  555    HA   ALA  74           HA       ALA  74 -10.719   2.127   2.127
  556   1HB   ALA  74           HB1      ALA  74 -12.367   0.843   0.843
  557   2HB   ALA  74           HB3      ALA  74 -12.601   0.104   0.104
  558   3HB   ALA  74           HB2      ALA  74 -10.985   0.192   0.192
  559    H    GLN  75           HN       GLN  75 -14.243   2.362   2.362
  560    HA   GLN  75           HA       GLN  75 -15.115   1.836   1.836
  561   1HB   GLN  75           HB2      GLN  75 -16.203   3.497   3.497
  562   2HB   GLN  75           HB1      GLN  75 -17.127   3.188   3.188
  563   1HG   GLN  75           HG1      GLN  75 -15.964   0.737   0.737
  564   2HG   GLN  75           HG2      GLN  75 -16.988   1.529   1.529
  565   1HE2  GLN  75          HE22      GLN  75 -19.517  -0.344  -0.344
  566   2HE2  GLN  75          HE21      GLN  75 -18.447  -0.434  -0.434
  567    H    GLN  76           HN       GLN  76 -13.821   4.744   4.744
  568    HA   GLN  76           HA       GLN  76 -14.617   6.703   6.703
  569   1HB   GLN  76           HB2      GLN  76 -13.259   6.688   6.688
  570   2HB   GLN  76           HB1      GLN  76 -11.882   6.740   6.740
  571   1HG   GLN  76           HG2      GLN  76 -12.359   8.866   8.866
  572   2HG   GLN  76           HG1      GLN  76 -14.102   8.605   8.605
  573   1HE2  GLN  76          HE22      GLN  76 -13.462  10.926  10.926
  574   2HE2  GLN  76          HE21      GLN  76 -13.543  10.962  10.962
  575    H    TYR  77           HN       TYR  77 -11.865   4.462   4.462
  576    HA   TYR  77           HA       TYR  77 -10.757   5.479   5.479
  577   1HB   TYR  77           HB2      TYR  77 -10.262   3.046   3.046
  578   2HB   TYR  77           HB1      TYR  77  -9.280   3.454   3.454
  579    HD1  TYR  77           HD1      TYR  77  -8.693   6.152   6.152
  580    HD2  TYR  77           HD2      TYR  77  -9.351   3.698   3.698
  581    HE1  TYR  77           HE1      TYR  77  -7.390   7.750   7.750
  582    HE2  TYR  77           HE2      TYR  77  -8.045   5.294   5.294
  583    HH   TYR  77           HH       TYR  77  -6.231   7.903   7.903
  584    H    GLY  78           HN       GLY  78 -12.213   2.350   2.350
  585   1HA   GLY  78           HA1      GLY  78 -14.148   1.688   1.688
  586   2HA   GLY  78           HA2      GLY  78 -12.980   1.975   1.975
  587    H    VAL  79           HN       VAL  79 -11.227   0.731   0.731
  588    HA   VAL  79           HA       VAL  79 -10.542  -1.692  -1.692
  589    HB   VAL  79           HB       VAL  79  -9.284  -0.670  -0.670
  590   1HG1  VAL  79          HG23      VAL  79 -11.846  -1.102  -1.102
  591   2HG1  VAL  79          HG22      VAL  79 -10.302  -0.954  -0.954
  592   3HG1  VAL  79          HG21      VAL  79 -10.893   0.374   0.374
  593   1HG2  VAL  79          HG12      VAL  79 -10.470  -3.345  -3.345
  594   2HG2  VAL  79          HG11      VAL  79  -9.017  -3.071  -3.071
  595   3HG2  VAL  79          HG13      VAL  79  -9.034  -2.642  -2.642
  596    H    ARG  80           HN       ARG  80 -11.406  -3.775  -3.775
  597    HA   ARG  80           HA       ARG  80 -13.865  -4.236  -4.236
  598   1HB   ARG  80           HB1      ARG  80 -13.433  -4.513  -4.513
  599   2HB   ARG  80           HB2      ARG  80 -14.724  -5.385  -5.385
  600   1HG   ARG  80           HG2      ARG  80 -15.748  -3.343  -3.343
  601   2HG   ARG  80           HG1      ARG  80 -14.351  -2.390  -2.390
  602   1HD   ARG  80           HD2      ARG  80 -15.377  -2.090  -2.090
  603   2HD   ARG  80           HD1      ARG  80 -15.177  -3.828  -3.828
  604    HE   ARG  80           HE       ARG  80 -17.353  -3.926  -3.926
  605   1HH1  ARG  80          HH11      ARG  80 -17.453  -0.859  -0.859
  606   2HH1  ARG  80          HH12      ARG  80 -18.670  -0.839  -0.839
  607   1HH2  ARG  80          HH21      ARG  80 -18.527  -4.255  -4.255
  608   2HH2  ARG  80          HH22      ARG  80 -19.277  -2.761  -2.761
  609    H    GLY  81           HN       GLY  81 -11.284  -5.233  -5.233
  610   1HA   GLY  81           HA2      GLY  81 -11.783  -8.029  -8.029
  611   2HA   GLY  81           HA1      GLY  81 -10.664  -7.775  -7.775
  612    H    TYR  82           HN       TYR  82 -10.857  -8.227  -8.227
  613    HA   TYR  82           HA       TYR  82  -8.388  -6.725  -6.725
  614   1HB   TYR  82           HB2      TYR  82 -10.048  -8.627  -8.627
  615   2HB   TYR  82           HB1      TYR  82  -8.914  -7.413  -7.413
  616    HD1  TYR  82           HD1      TYR  82  -9.653  -5.180  -5.180
  617    HD2  TYR  82           HD2      TYR  82 -12.082  -7.843  -7.843
  618    HE1  TYR  82           HE1      TYR  82 -11.467  -3.491  -3.491
  619    HE2  TYR  82           HE2      TYR  82 -13.895  -6.151  -6.151
  620    HH   TYR  82           HH       TYR  82 -13.788  -3.338  -3.338
  621    HA   PRO  83           HA       PRO  83  -7.089  -6.959  -6.959
  622   1HB   PRO  83           HB2      PRO  83  -4.420  -7.234  -7.234
  623   2HB   PRO  83           HB1      PRO  83  -5.665  -8.094  -8.094
  624   1HG   PRO  83           HG1      PRO  83  -3.762  -9.118  -9.118
  625   2HG   PRO  83           HG2      PRO  83  -4.680  -9.985  -9.985
  626   1HD   PRO  83           HD1      PRO  83  -5.234  -9.766  -9.766
  627   2HD   PRO  83           HD2      PRO  83  -6.119 -10.690 -10.690
  628    H    THR  84           HN       THR  84  -6.936  -5.059  -5.059
  629    HA   THR  84           HA       THR  84  -5.154  -4.956  -4.956
  630    HB   THR  84           HB       THR  84  -7.293  -3.120  -3.120
  631    HG1  THR  84           HG1      THR  84  -8.433  -4.607  -4.607
  632   1HG2  THR  84          HG23      THR  84  -5.632  -2.938  -2.938
  633   2HG2  THR  84          HG22      THR  84  -7.127  -2.035  -2.035
  634   3HG2  THR  84          HG21      THR  84  -5.740  -1.750  -1.750
  635    H    ILE  85           HN       ILE  85  -3.068  -4.705  -4.705
  636    HA   ILE  85           HA       ILE  85  -2.533  -2.741  -2.741
  637    HB   ILE  85           HB       ILE  85  -0.752  -4.318  -4.318
  638   1HG1  ILE  85          HG12      ILE  85  -0.580  -5.352  -5.352
  639   2HG1  ILE  85          HG11      ILE  85  -2.297  -5.006  -5.006
  640   1HG2  ILE  85          HG21      ILE  85  -0.139  -2.839  -2.839
  641   2HG2  ILE  85          HG23      ILE  85   0.988  -3.901  -3.901
  642   3HG2  ILE  85          HG22      ILE  85   0.439  -2.411  -2.411
  643   1HD1  ILE  85          HD13      ILE  85  -0.953  -6.296  -6.296
  644   2HD1  ILE  85          HD12      ILE  85  -1.141  -7.297  -7.297
  645   3HD1  ILE  85          HD11      ILE  85  -2.558  -6.583  -6.583
  646    H    LYS  86           HN       LYS  86  -2.152  -0.586  -0.586
  647    HA   LYS  86           HA       LYS  86  -1.338   0.291   0.291
  648   1HB   LYS  86           HB1      LYS  86  -3.085   1.753   1.753
  649   2HB   LYS  86           HB2      LYS  86  -2.767   2.234   2.234
  650   1HG   LYS  86           HG2      LYS  86  -3.748  -0.486  -0.486
  651   2HG   LYS  86           HG1      LYS  86  -4.865   0.586   0.586
  652   1HD   LYS  86           HD2      LYS  86  -3.733   1.319   1.319
  653   2HD   LYS  86           HD1      LYS  86  -5.170   0.305   0.305
  654   1HE   LYS  86           HE2      LYS  86  -6.414   2.029   2.029
  655   2HE   LYS  86           HE1      LYS  86  -4.954   2.975   2.975
  656   1HZ   LYS  86           HZ2      LYS  86  -4.581   3.115   3.115
  657   2HZ   LYS  86           HZ1      LYS  86  -6.067   2.336   2.336
  658   3HZ   LYS  86           HZ3      LYS  86  -6.032   3.864   3.864
  659    H    PHE  87           HN       PHE  87  -0.199   2.470   2.470
  660    HA   PHE  87           HA       PHE  87   1.283   2.874   2.874
  661   1HB   PHE  87           HB1      PHE  87   2.674   1.552   1.552
  662   2HB   PHE  87           HB2      PHE  87   2.340   2.633   2.633
  663    HD1  PHE  87           HD1      PHE  87   3.091   3.553   3.553
  664    HD2  PHE  87           HD2      PHE  87   4.499   3.501   3.501
  665    HE1  PHE  87           HE1      PHE  87   5.027   4.956   4.956
  666    HE2  PHE  87           HE2      PHE  87   6.438   4.905   4.905
  667    HZ   PHE  87           HZ       PHE  87   6.708   5.635   5.635
  668    H    PHE  88           HN       PHE  88   1.278   5.006   5.006
  669    HA   PHE  88           HA       PHE  88   0.508   7.039   7.039
  670   1HB   PHE  88           HB2      PHE  88   0.074   6.710   6.710
  671   2HB   PHE  88           HB1      PHE  88  -0.157   8.268   8.268
  672    HD1  PHE  88           HD2      PHE  88  -1.819   8.464   8.464
  673    HD2  PHE  88           HD1      PHE  88  -1.515   4.948   4.948
  674    HE1  PHE  88           HE2      PHE  88  -4.053   7.727   7.727
  675    HE2  PHE  88           HE1      PHE  88  -3.749   4.209   4.209
  676    HZ   PHE  88           HZ       PHE  88  -5.018   5.599   5.599
  677    H    ARG  89           HN       ARG  89   1.622   9.127   9.127
  678    HA   ARG  89           HA       ARG  89   4.165   9.097   9.097
  679   1HB   ARG  89           HB2      ARG  89   5.317   9.891   9.891
  680   2HB   ARG  89           HB1      ARG  89   4.596   8.297   8.297
  681   1HG   ARG  89           HG2      ARG  89   3.487   9.128   9.128
  682   2HG   ARG  89           HG1      ARG  89   2.571  10.139  10.139
  683   1HD   ARG  89           HD2      ARG  89   4.277  11.913  11.913
  684   2HD   ARG  89           HD1      ARG  89   5.223  10.898  10.898
  685    HE   ARG  89           HE       ARG  89   2.406  11.352  11.352
  686   1HH1  ARG  89          HH21      ARG  89   5.226  13.175  13.175
  687   2HH1  ARG  89          HH22      ARG  89   5.262  13.500  13.500
  688   1HH2  ARG  89          HH11      ARG  89   2.661  11.332  11.332
  689   2HH2  ARG  89          HH12      ARG  89   3.812  12.457  12.457
  690    H    ASN  90           HN       ASN  90   4.027  10.889  10.889
  691    HA   ASN  90           HA       ASN  90   3.579  13.106  13.106
  692   1HB   ASN  90           HB1      ASN  90   5.387  13.349  13.349
  693   2HB   ASN  90           HB2      ASN  90   4.184  13.481  13.481
  694   1HD2  ASN  90          HD22      ASN  90   4.124  16.970  16.970
  695   2HD2  ASN  90          HD21      ASN  90   4.250  15.669  15.669
  696    H    GLY  91           HN       GLY  91   1.155  11.852  11.852
  697   1HA   GLY  91           HA2      GLY  91  -1.105  12.190  12.190
  698   2HA   GLY  91           HA1      GLY  91  -0.710  13.888  13.888
  699    H    ASP  92           HN       ASP  92  -0.331  11.337  11.337
  700    HA   ASP  92           HA       ASP  92  -0.245  13.336  13.336
  701   1HB   ASP  92           HB2      ASP  92   1.096  11.296  11.296
  702   2HB   ASP  92           HB1      ASP  92  -0.086  11.270  11.270
  703    H    THR  93           HN       THR  93  -2.535  10.859  10.859
  704    HA   THR  93           HA       THR  93  -4.846  10.630  10.630
  705    HB   THR  93           HB       THR  93  -5.203  13.317  13.317
  706    HG1  THR  93           HG1      THR  93  -4.004  13.032  13.032
  707   1HG2  THR  93          HG22      THR  93  -6.117  11.855  11.855
  708   2HG2  THR  93          HG21      THR  93  -6.644  13.485  13.485
  709   3HG2  THR  93          HG23      THR  93  -7.039  12.129  12.129
  710    H    ALA  94           HN       ALA  94  -4.114  12.891  12.891
  711    HA   ALA  94           HA       ALA  94  -5.529  11.127  11.127
  712   1HB   ALA  94           HB2      ALA  94  -4.347  13.871  13.871
  713   2HB   ALA  94           HB1      ALA  94  -4.587  13.128  13.128
  714   3HB   ALA  94           HB3      ALA  94  -5.960  13.361  13.361
  715    H    SER  95           HN       SER  95  -2.560  10.769  10.769
  716    HA   SER  95           HA       SER  95  -1.481   9.618   9.618
  717   1HB   SER  95           HB1      SER  95  -0.715  12.093  12.093
  718   2HB   SER  95           HB2      SER  95   0.533  11.000  11.000
  719    HG   SER  95           HG       SER  95  -0.268  11.480  11.480
  720    HA   PRO  96           HA       PRO  96  -0.773   7.235   7.235
  721   1HB   PRO  96           HB2      PRO  96  -2.510   5.167   5.167
  722   2HB   PRO  96           HB1      PRO  96  -2.971   6.657   6.657
  723   1HG   PRO  96           HG2      PRO  96  -3.510   5.809   5.809
  724   2HG   PRO  96           HG1      PRO  96  -4.532   6.723   6.723
  725   1HD   PRO  96           HD1      PRO  96  -3.083   7.845   7.845
  726   2HD   PRO  96           HD2      PRO  96  -3.613   8.718   8.718
  727    H    LYS  97           HN       LYS  97  -0.001   4.858   4.858
  728    HA   LYS  97           HA       LYS  97   1.109   4.086   4.086
  729   1HB   LYS  97           HB2      LYS  97   2.273   4.452   4.452
  730   2HB   LYS  97           HB1      LYS  97   2.891   3.094   3.094
  731   1HG   LYS  97           HG2      LYS  97   2.612   5.683   5.683
  732   2HG   LYS  97           HG1      LYS  97   3.890   5.590   5.590
  733   1HD   LYS  97           HD2      LYS  97   5.132   4.155   4.155
  734   2HD   LYS  97           HD1      LYS  97   3.720   3.223   3.223
  735   1HE   LYS  97           HE2      LYS  97   4.353   4.204   4.204
  736   2HE   LYS  97           HE1      LYS  97   3.199   5.410   5.410
  737   1HZ   LYS  97           HZ2      LYS  97   6.120   5.448   5.448
  738   2HZ   LYS  97           HZ1      LYS  97   5.356   6.395   6.395
  739   3HZ   LYS  97           HZ3      LYS  97   4.988   6.633   6.633
  740    H    GLU  98           HN       GLU  98   1.452   1.739   1.739
  741    HA   GLU  98           HA       GLU  98  -0.379   0.122   0.122
  742   1HB   GLU  98           HB2      GLU  98  -0.698  -1.226  -1.226
  743   2HB   GLU  98           HB1      GLU  98  -1.204   0.453   0.453
  744   1HG   GLU  98           HG1      GLU  98   0.592   0.993   0.993
  745   2HG   GLU  98           HG2      GLU  98   1.626  -0.258  -0.258
  746    H    TYR  99           HN       TYR  99   0.329  -2.034  -2.034
  747    HA   TYR  99           HA       TYR  99   3.281  -2.363  -2.363
  748   1HB   TYR  99           HB2      TYR  99   1.247  -2.751  -2.751
  749   2HB   TYR  99           HB1      TYR  99   1.632  -4.390  -4.390
  750    HD1  TYR  99           HD2      TYR  99   4.197  -4.967  -4.967
  751    HD2  TYR  99           HD1      TYR  99   2.570  -1.735  -1.735
  752    HE1  TYR  99           HE2      TYR  99   6.250  -4.930  -4.930
  753    HE2  TYR  99           HE1      TYR  99   4.622  -1.696  -1.696
  754    HH   TYR  99           HH       TYR  99   6.463  -3.018  -3.018
  755    H    THR 100           HN       THR 100   4.285  -4.122  -4.122
  756    HA   THR 100           HA       THR 100   2.504  -5.857  -5.857
  757    HB   THR 100           HB       THR 100   4.500  -5.851  -5.851
  758    HG1  THR 100           HG1      THR 100   6.216  -4.712  -4.712
  759   1HG2  THR 100          HG22      THR 100   2.861  -3.476  -3.476
  760   2HG2  THR 100          HG21      THR 100   4.214  -3.207  -3.207
  761   3HG2  THR 100          HG23      THR 100   2.949  -4.361  -4.361
  762    H    ALA 101           HN       ALA 101   3.499  -6.401  -6.401
  763    HA   ALA 101           HA       ALA 101   5.071  -8.880  -8.880
  764   1HB   ALA 101           HB2      ALA 101   6.039  -6.604  -6.604
  765   2HB   ALA 101           HB1      ALA 101   5.557  -7.590  -7.590
  766   3HB   ALA 101           HB3      ALA 101   6.715  -8.219  -8.219
  767    H    GLY 102           HN       GLY 102   5.125  -9.635  -9.635
  768   1HA   GLY 102           HA2      GLY 102   3.134  -9.735  -9.735
  769   2HA   GLY 102           HA1      GLY 102   2.258 -10.390 -10.390
  770    H    ARG 103           HN       ARG 103   5.351 -10.949 -10.949
  771    HA   ARG 103           HA       ARG 103   4.802 -13.888 -13.888
  772   1HB   ARG 103           HB1      ARG 103   6.787 -12.394 -12.394
  773   2HB   ARG 103           HB2      ARG 103   7.614 -13.076 -13.076
  774   1HG   ARG 103           HG2      ARG 103   5.921 -14.722 -14.722
  775   2HG   ARG 103           HG1      ARG 103   7.666 -14.534 -14.534
  776   1HD   ARG 103           HD2      ARG 103   7.439 -15.223 -15.223
  777   2HD   ARG 103           HD1      ARG 103   6.158 -16.193 -16.193
  778    HE   ARG 103           HE       ARG 103   8.650 -16.212 -16.212
  779   1HH1  ARG 103          HH21      ARG 103   8.161 -17.210 -17.210
  780   2HH1  ARG 103          HH22      ARG 103   8.394 -18.901 -18.901
  781   1HH2  ARG 103          HH11      ARG 103   8.391 -18.574 -18.574
  782   2HH2  ARG 103          HH12      ARG 103   8.524 -19.673 -19.673
  783    H    GLU 104           HN       GLU 104   6.495 -11.341 -11.341
  784    HA   GLU 104           HA       GLU 104   5.742 -12.417 -12.417
  785   1HB   GLU 104           HB2      GLU 104   8.020 -13.236 -13.236
  786   2HB   GLU 104           HB1      GLU 104   7.311 -14.173 -14.173
  787   1HG   GLU 104           HG2      GLU 104   8.642 -13.050 -13.050
  788   2HG   GLU 104           HG1      GLU 104   9.148 -11.819 -11.819
  789    H    ALA 105           HN       ALA 105   7.052 -11.246 -11.246
  790    HA   ALA 105           HA       ALA 105   6.986  -8.483  -8.483
  791   1HB   ALA 105           HB1      ALA 105   7.714 -10.347 -10.347
  792   2HB   ALA 105           HB3      ALA 105   9.253  -9.540  -9.540
  793   3HB   ALA 105           HB2      ALA 105   7.855  -8.604  -8.604
  794    H    ASP 106           HN       ASP 106   9.495 -10.620 -10.620
  795    HA   ASP 106           HA       ASP 106  11.545  -8.641  -8.641
  796   1HB   ASP 106           HB1      ASP 106  10.981 -11.133 -11.133
  797   2HB   ASP 106           HB2      ASP 106  11.720 -11.179 -11.179
  798    H    ASP 107           HN       ASP 107   8.882  -9.832  -9.832
  799    HA   ASP 107           HA       ASP 107   9.534  -8.392  -8.392
  800   1HB   ASP 107           HB2      ASP 107   7.742 -10.233 -10.233
  801   2HB   ASP 107           HB1      ASP 107   7.384  -9.034  -9.034
  802    H    ILE 108           HN       ILE 108   7.569  -7.531  -7.531
  803    HA   ILE 108           HA       ILE 108   6.650  -4.972  -4.972
  804    HB   ILE 108           HB       ILE 108   7.668  -5.983  -5.983
  805   1HG1  ILE 108          HG12      ILE 108   5.975  -7.491  -7.491
  806   2HG1  ILE 108          HG11      ILE 108   5.266  -6.557  -6.557
  807   1HG2  ILE 108          HG21      ILE 108   7.249  -3.484  -3.484
  808   2HG2  ILE 108          HG23      ILE 108   5.556  -3.885  -3.885
  809   3HG2  ILE 108          HG22      ILE 108   6.308  -4.292  -4.292
  810   1HD1  ILE 108          HD13      ILE 108   4.356  -4.954  -4.954
  811   2HD1  ILE 108          HD12      ILE 108   4.981  -5.989  -5.989
  812   3HD1  ILE 108          HD11      ILE 108   3.722  -6.587  -6.587
  813    H    VAL 109           HN       VAL 109   9.646  -5.723  -5.723
  814    HA   VAL 109           HA       VAL 109  10.694  -3.068  -3.068
  815    HB   VAL 109           HB       VAL 109  12.064  -5.778  -5.778
  816   1HG1  VAL 109          HG21      VAL 109  13.296  -3.369  -3.369
  817   2HG1  VAL 109          HG23      VAL 109  13.168  -3.453  -3.453
  818   3HG1  VAL 109          HG22      VAL 109  14.006  -4.728  -4.728
  819   1HG2  VAL 109          HG12      VAL 109  10.154  -5.026  -5.026
  820   2HG2  VAL 109          HG11      VAL 109  11.597  -5.868  -5.868
  821   3HG2  VAL 109          HG13      VAL 109  11.482  -4.114  -4.114
  822    H    ASN 110           HN       ASN 110  11.088  -5.756  -5.756
  823    HA   ASN 110           HA       ASN 110  13.140  -4.760  -4.760
  824   1HB   ASN 110           HB1      ASN 110  10.803  -6.557  -6.557
  825   2HB   ASN 110           HB2      ASN 110  11.415  -5.943  -5.943
  826   1HD2  ASN 110          HD22      ASN 110  13.677  -8.559  -8.559
  827   2HD2  ASN 110          HD21      ASN 110  12.282  -7.868  -7.868
  828    H    TRP 111           HN       TRP 111   9.657  -4.369  -4.369
  829    HA   TRP 111           HA       TRP 111   9.964  -2.398  -2.398
  830   1HB   TRP 111           HB2      TRP 111   7.928  -3.809  -3.809
  831   2HB   TRP 111           HB1      TRP 111   7.558  -2.112  -2.112
  832    HD1  TRP 111           HD1      TRP 111   8.269  -4.506  -4.506
  833    HE1  TRP 111           HE1      TRP 111   7.105  -3.578  -3.578
  834    HE3  TRP 111           HE3      TRP 111   6.511  -0.080  -0.080
  835    HZ2  TRP 111           HZ2      TRP 111   5.623  -1.263  -1.263
  836    HZ3  TRP 111           HZ3      TRP 111   5.228   1.465   1.465
  837    HH2  TRP 111           HH2      TRP 111   4.782   0.880   0.880
  838    H    LEU 112           HN       LEU 112  10.034  -2.162  -2.162
  839    HA   LEU 112           HA       LEU 112   9.589   0.713   0.713
  840   1HB   LEU 112           HB1      LEU 112   9.978  -1.581  -1.581
  841   2HB   LEU 112           HB2      LEU 112  10.967  -0.229  -0.229
  842    HG   LEU 112           HG       LEU 112   8.982   1.237   1.237
  843   1HD1  LEU 112          HD11      LEU 112   7.824  -1.156  -1.156
  844   2HD1  LEU 112          HD13      LEU 112   6.774  -0.332  -0.332
  845   3HD1  LEU 112          HD12      LEU 112   7.437   0.550   0.550
  846   1HD2  LEU 112          HD22      LEU 112   9.558  -0.129  -0.129
  847   2HD2  LEU 112          HD21      LEU 112   7.843   0.263   0.263
  848   3HD2  LEU 112          HD23      LEU 112   8.410  -1.349  -1.349
  849    H    LYS 113           HN       LYS 113  12.457  -1.413  -1.413
  850    HA   LYS 113           HA       LYS 113  14.318   0.829   0.829
  851   1HB   LYS 113           HB2      LYS 113  14.289  -2.069  -2.069
  852   2HB   LYS 113           HB1      LYS 113  15.641  -1.482  -1.482
  853   1HG   LYS 113           HG2      LYS 113  16.712  -0.590  -0.590
  854   2HG   LYS 113           HG1      LYS 113  15.210  -0.024  -0.024
  855   1HD   LYS 113           HD2      LYS 113  14.797  -2.061  -2.061
  856   2HD   LYS 113           HD1      LYS 113  15.770  -2.971  -2.971
  857   1HE   LYS 113           HE2      LYS 113  17.581  -1.175  -1.175
  858   2HE   LYS 113           HE1      LYS 113  16.592  -1.775  -1.775
  859   1HZ   LYS 113           HZ1      LYS 113  17.860  -3.470  -3.470
  860   2HZ   LYS 113           HZ3      LYS 113  18.428  -3.292  -3.292
  861   3HZ   LYS 113           HZ2      LYS 113  16.924  -4.028  -4.028
  862    H    LYS 114           HN       LYS 114  12.680  -0.629  -0.629
  863    HA   LYS 114           HA       LYS 114  14.647  -0.224  -0.224
  864   1HB   LYS 114           HB2      LYS 114  11.974  -1.160  -1.160
  865   2HB   LYS 114           HB1      LYS 114  11.954   0.049   0.049
  866   1HG   LYS 114           HG2      LYS 114  14.032  -2.140  -2.140
  867   2HG   LYS 114           HG1      LYS 114  12.460  -2.383  -2.383
  868   1HD   LYS 114           HD2      LYS 114  13.775   0.135   0.135
  869   2HD   LYS 114           HD1      LYS 114  14.657  -1.312  -1.312
  870   1HE   LYS 114           HE2      LYS 114  12.674  -2.191  -2.191
  871   2HE   LYS 114           HE1      LYS 114  11.713  -0.810  -0.810
  872   1HZ   LYS 114           HZ2      LYS 114  14.222  -0.526  -0.526
  873   2HZ   LYS 114           HZ1      LYS 114  12.683  -0.541  -0.541
  874   3HZ   LYS 114           HZ3      LYS 114  13.095   0.688   0.688
  875    H    ARG 115           HN       ARG 115  12.831   2.035   2.035
  876    HA   ARG 115           HA       ARG 115  13.170   4.109   4.109
  877   1HB   ARG 115           HB2      ARG 115  10.975   3.282   3.282
  878   2HB   ARG 115           HB1      ARG 115  11.414   4.925   4.925
  879   1HG   ARG 115           HG2      ARG 115  11.373   4.421   4.421
  880   2HG   ARG 115           HG1      ARG 115   9.802   4.344   4.344
  881   1HD   ARG 115           HD2      ARG 115   9.738   6.598   6.598
  882   2HD   ARG 115           HD1      ARG 115  11.358   6.619   6.619
  883    HE   ARG 115           HE       ARG 115  12.226   6.392   6.392
  884   1HH1  ARG 115          HH11      ARG 115   9.898   6.108   6.108
  885   2HH1  ARG 115          HH12      ARG 115   9.444   7.729   7.729
  886   1HH2  ARG 115          HH21      ARG 115  11.313   9.178   9.178
  887   2HH2  ARG 115          HH22      ARG 115  10.244   9.466   9.466
  888    H    THR 116           HN       THR 116  14.109   3.128   3.128
  889    HA   THR 116           HA       THR 116  15.090   5.866   5.866
  890    HB   THR 116           HB       THR 116  15.401   4.822   4.822
  891    HG1  THR 116           HG1      THR 116  15.352   2.740   2.740
  892   1HG2  THR 116          HG23      THR 116  13.091   5.625   5.625
  893   2HG2  THR 116          HG22      THR 116  12.667   3.956   3.956
  894   3HG2  THR 116          HG21      THR 116  13.185   5.050   5.050
  895    H    GLY 117           HN       GLY 117  16.437   2.624   2.624
  896   1HA   GLY 117           HA2      GLY 117  18.550   1.733   1.733
  897   2HA   GLY 117           HA1      GLY 117  18.840   3.173   3.173
  898    HA   PRO 118           HA       PRO 118  21.202   3.408   3.408
  899   1HB   PRO 118           HB1      PRO 118  23.721   3.450   3.450
  900   2HB   PRO 118           HB2      PRO 118  22.890   1.953   1.953
  901   1HG   PRO 118           HG2      PRO 118  23.241   3.177   3.177
  902   2HG   PRO 118           HG1      PRO 118  23.284   1.473   1.473
  903   1HD   PRO 118           HD2      PRO 118  21.134   2.652   2.652
  904   2HD   PRO 118           HD1      PRO 118  21.012   1.249   1.249
  905    H    ALA 119           HN       ALA 119  23.255   5.143   5.143
  906    HA   ALA 119           HA       ALA 119  22.442   7.552   7.552
  907   1HB   ALA 119           HB1      ALA 119  22.588   7.008   7.008
  908   2HB   ALA 119           HB3      ALA 119  23.200   8.578   8.578
  909   3HB   ALA 119           HB2      ALA 119  21.538   8.116   8.116
  910    H    ALA 120           HN       ALA 120  24.320   9.322   9.322
  911    HA   ALA 120           HA       ALA 120  26.992   8.045   8.045
  912   1HB   ALA 120           HB1      ALA 120  25.669   9.765   9.765
  913   2HB   ALA 120           HB3      ALA 120  27.424   9.805   9.805
  914   3HB   ALA 120           HB2      ALA 120  26.612   8.290   8.290

  Start of MODEL   33
    1   1H    ASP   1           HT1      ASP   1 -11.300  -4.364  -4.364
    2   2H    ASP   1           HT3      ASP   1 -12.996  -4.344  -4.344
    3   3H    ASP   1           HT2      ASP   1 -12.130  -2.882  -2.882
    4    HA   ASP   1           HA       ASP   1 -12.871  -3.210  -3.210
    5   1HB   ASP   1           HB2      ASP   1 -13.437  -5.587  -5.587
    6   2HB   ASP   1           HB1      ASP   1 -12.521  -5.407  -5.407
    7    H    ALA   2           HN       ALA   2 -11.131  -4.266  -4.266
    8    HA   ALA   2           HA       ALA   2  -9.095  -3.715  -3.715
    9   1HB   ALA   2           HB2      ALA   2  -8.652  -4.892  -4.892
   10   2HB   ALA   2           HB1      ALA   2  -7.370  -3.727  -3.727
   11   3HB   ALA   2           HB3      ALA   2  -7.672  -5.053  -5.053
   12    HA   PRO   3           HA       PRO   3  -9.195   0.628   0.628
   13   1HB   PRO   3           HB1      PRO   3  -9.700   1.760   1.760
   14   2HB   PRO   3           HB2      PRO   3 -10.979   1.149   1.149
   15   1HG   PRO   3           HG2      PRO   3  -9.838  -0.022  -0.022
   16   2HG   PRO   3           HG1      PRO   3 -11.466  -0.171  -0.171
   17   1HD   PRO   3           HD1      PRO   3  -9.435  -2.087  -2.087
   18   2HD   PRO   3           HD2      PRO   3 -10.931  -2.069  -2.069
   19    H    GLU   4           HN       GLU   4  -7.830   2.533   2.533
   20    HA   GLU   4           HA       GLU   4  -5.709   3.336   3.336
   21   1HB   GLU   4           HB2      GLU   4  -6.820   1.701   1.701
   22   2HB   GLU   4           HB1      GLU   4  -5.098   1.326   1.326
   23   1HG   GLU   4           HG2      GLU   4  -4.473   3.435   3.435
   24   2HG   GLU   4           HG1      GLU   4  -5.837   4.204   4.204
   25    H    GLU   5           HN       GLU   5  -3.358   2.697   2.697
   26    HA   GLU   5           HA       GLU   5  -2.644   1.037   1.037
   27   1HB   GLU   5           HB1      GLU   5  -0.357   1.355   1.355
   28   2HB   GLU   5           HB2      GLU   5  -1.281   2.857   2.857
   29   1HG   GLU   5           HG2      GLU   5  -1.951   1.800   1.800
   30   2HG   GLU   5           HG1      GLU   5  -0.294   1.223   1.223
   31    H    GLU   6           HN       GLU   6  -1.419  -1.009  -1.009
   32    HA   GLU   6           HA       GLU   6  -1.913  -2.684  -2.684
   33   1HB   GLU   6           HB2      GLU   6  -2.830  -2.959  -2.959
   34   2HB   GLU   6           HB1      GLU   6  -2.293  -4.436  -4.436
   35   1HG   GLU   6           HG2      GLU   6  -3.831  -3.323  -3.323
   36   2HG   GLU   6           HG1      GLU   6  -4.681  -2.773  -2.773
   37    H    ASP   7           HN       ASP   7  -0.021  -3.753  -3.753
   38    HA   ASP   7           HA       ASP   7   2.223  -4.513  -4.513
   39   1HB   ASP   7           HB2      ASP   7   0.658  -5.571  -5.571
   40   2HB   ASP   7           HB1      ASP   7   2.113  -4.993  -4.993
   41    H    HIS   8           HN       HIS   8   3.852  -4.265  -4.265
   42    HA   HIS   8           HA       HIS   8   4.546  -1.401  -1.401
   43   1HB   HIS   8           HB2      HIS   8   5.752  -3.927  -3.927
   44   2HB   HIS   8           HB1      HIS   8   6.332  -2.408  -2.408
   45    HD1  HIS   8           HD1      HIS   8   6.983  -0.546  -0.546
   46    HD2  HIS   8           HD2      HIS   8   7.025  -4.574  -4.574
   47    HE1  HIS   8           HE1      HIS   8   8.356  -0.708  -0.708
   48    H    VAL   9           HN       VAL   9   2.043  -1.664  -1.664
   49    HA   VAL   9           HA       VAL   9   2.639  -0.902  -0.902
   50    HB   VAL   9           HB       VAL   9   0.334  -2.623  -2.623
   51   1HG1  VAL   9          HG11      VAL   9   1.188  -1.480  -1.480
   52   2HG1  VAL   9          HG13      VAL   9   0.593  -3.140  -3.140
   53   3HG1  VAL   9          HG12      VAL   9  -0.434  -1.844  -1.844
   54   1HG2  VAL   9          HG22      VAL   9   2.513  -3.779  -3.779
   55   2HG2  VAL   9          HG21      VAL   9   1.540  -4.518  -4.518
   56   3HG2  VAL   9          HG23      VAL   9   2.884  -3.456  -3.456
   57    H    LEU  10           HN       LEU  10   0.580   0.220   0.220
   58    HA   LEU  10           HA       LEU  10  -0.641   1.922   1.922
   59   1HB   LEU  10           HB1      LEU  10   1.053   2.584   2.584
   60   2HB   LEU  10           HB2      LEU  10  -0.543   3.016   3.016
   61    HG   LEU  10           HG       LEU  10   0.505   4.902   4.902
   62   1HD1  LEU  10          HD22      LEU  10  -2.066   4.050   4.050
   63   2HD1  LEU  10          HD21      LEU  10  -1.629   4.067   4.067
   64   3HD1  LEU  10          HD23      LEU  10  -1.488   5.539   5.539
   65   1HD2  LEU  10          HD12      LEU  10   1.129   2.778   2.778
   66   2HD2  LEU  10          HD11      LEU  10   1.735   4.435   4.435
   67   3HD2  LEU  10          HD13      LEU  10   0.240   4.058   4.058
   68    H    VAL  11           HN       VAL  11  -2.857   2.535   2.535
   69    HA   VAL  11           HA       VAL  11  -4.314   0.894   0.894
   70    HB   VAL  11           HB       VAL  11  -4.603   0.122   0.122
   71   1HG1  VAL  11          HG23      VAL  11  -5.558   2.966   2.966
   72   2HG1  VAL  11          HG22      VAL  11  -5.768   1.658   1.658
   73   3HG1  VAL  11          HG21      VAL  11  -4.147   2.203   2.203
   74   1HG2  VAL  11          HG11      VAL  11  -6.503  -0.020  -0.020
   75   2HG2  VAL  11          HG13      VAL  11  -7.053   0.204   0.204
   76   3HG2  VAL  11          HG12      VAL  11  -7.053   1.567   1.567
   77    H    LEU  12           HN       LEU  12  -5.837   2.045   2.045
   78    HA   LEU  12           HA       LEU  12  -5.991   4.986   4.986
   79   1HB   LEU  12           HB1      LEU  12  -6.369   3.477   3.477
   80   2HB   LEU  12           HB2      LEU  12  -6.275   5.226   5.226
   81    HG   LEU  12           HG       LEU  12  -4.059   3.275   3.275
   82   1HD1  LEU  12          HD22      LEU  12  -4.535   3.572   3.572
   83   2HD1  LEU  12          HD21      LEU  12  -4.196   5.290   5.290
   84   3HD1  LEU  12          HD23      LEU  12  -2.927   4.100   4.100
   85   1HD2  LEU  12          HD11      LEU  12  -4.556   6.110   6.110
   86   2HD2  LEU  12          HD13      LEU  12  -3.380   5.009   5.009
   87   3HD2  LEU  12          HD12      LEU  12  -3.008   5.827   5.827
   88    H    ARG  13           HN       ARG  13  -8.038   6.010   6.010
   89    HA   ARG  13           HA       ARG  13 -10.440   4.301   4.301
   90   1HB   ARG  13           HB2      ARG  13  -9.778   6.142   6.142
   91   2HB   ARG  13           HB1      ARG  13 -11.396   5.511   5.511
   92   1HG   ARG  13           HG2      ARG  13 -10.268   3.180   3.180
   93   2HG   ARG  13           HG1      ARG  13  -8.897   3.990   3.990
   94   1HD   ARG  13           HD2      ARG  13  -9.991   3.625   3.625
   95   2HD   ARG  13           HD1      ARG  13 -11.082   4.926   4.926
   96    HE   ARG  13           HE       ARG  13 -12.419   3.086   3.086
   97   1HH1  ARG  13          HH21      ARG  13  -9.928   1.458   1.458
   98   2HH1  ARG  13          HH22      ARG  13 -10.883   0.436   0.436
   99   1HH2  ARG  13          HH11      ARG  13 -13.826   2.183   2.183
  100   2HH2  ARG  13          HH12      ARG  13 -13.091   0.847   0.847
  101    H    LYS  14           HN       LYS  14 -12.436   5.854   5.854
  102    HA   LYS  14           HA       LYS  14 -12.326   7.585   7.585
  103   1HB   LYS  14           HB1      LYS  14 -14.055   7.221   7.221
  104   2HB   LYS  14           HB2      LYS  14 -14.326   8.668   8.668
  105   1HG   LYS  14           HG1      LYS  14 -15.167   7.483   7.483
  106   2HG   LYS  14           HG2      LYS  14 -13.993   6.181   6.181
  107   1HD   LYS  14           HD2      LYS  14 -15.438   4.944   4.944
  108   2HD   LYS  14           HD1      LYS  14 -15.860   6.320   6.320
  109   1HE   LYS  14           HE2      LYS  14 -17.076   6.991   6.991
  110   2HE   LYS  14           HE1      LYS  14 -17.284   5.229   5.229
  111   1HZ   LYS  14           HZ1      LYS  14 -17.875   5.606   5.606
  112   2HZ   LYS  14           HZ3      LYS  14 -18.097   7.233   7.233
  113   3HZ   LYS  14           HZ2      LYS  14 -19.042   6.028   6.028
  114    H    SER  15           HN       SER  15 -11.389   8.299   8.299
  115    HA   SER  15           HA       SER  15 -10.893  11.150  11.150
  116   1HB   SER  15           HB1      SER  15 -12.570  10.817  10.817
  117   2HB   SER  15           HB2      SER  15 -11.426   9.848   9.848
  118    HG   SER  15           HG       SER  15 -11.023  11.738  11.738
  119    H    ASN  16           HN       ASN  16  -9.183   8.407   8.407
  120    HA   ASN  16           HA       ASN  16  -6.858   9.621   9.621
  121   1HB   ASN  16           HB1      ASN  16  -8.140   7.037   7.037
  122   2HB   ASN  16           HB2      ASN  16  -6.458   6.875   6.875
  123   1HD2  ASN  16          HD22      ASN  16  -6.629   6.657   6.657
  124   2HD2  ASN  16          HD21      ASN  16  -7.319   5.773   5.773
  125    H    PHE  17           HN       PHE  17  -7.940   8.180   8.180
  126    HA   PHE  17           HA       PHE  17  -5.521   7.677   7.677
  127   1HB   PHE  17           HB2      PHE  17  -7.834   7.190   7.190
  128   2HB   PHE  17           HB1      PHE  17  -8.074   8.908   8.908
  129    HD1  PHE  17           HD2      PHE  17  -6.737  10.072  10.072
  130    HD2  PHE  17           HD1      PHE  17  -6.537   5.820   5.820
  131    HE1  PHE  17           HE2      PHE  17  -5.679   9.824   9.824
  132    HE2  PHE  17           HE1      PHE  17  -5.481   5.570   5.570
  133    HZ   PHE  17           HZ       PHE  17  -5.060   7.576   7.576
  134    H    ALA  18           HN       ALA  18  -7.421  10.687  10.687
  135    HA   ALA  18           HA       ALA  18  -5.521  12.196  12.196
  136   1HB   ALA  18           HB2      ALA  18  -7.737  12.801  12.801
  137   2HB   ALA  18           HB1      ALA  18  -6.754  14.123  14.123
  138   3HB   ALA  18           HB3      ALA  18  -7.672  13.100  13.100
  139    H    GLU  19           HN       GLU  19  -5.529  11.316  11.316
  140    HA   GLU  19           HA       GLU  19  -3.615  13.363  13.363
  141   1HB   GLU  19           HB2      GLU  19  -5.400  12.252  12.252
  142   2HB   GLU  19           HB1      GLU  19  -4.470  10.762  10.762
  143   1HG   GLU  19           HG2      GLU  19  -2.568  11.831  11.831
  144   2HG   GLU  19           HG1      GLU  19  -3.404  13.384  13.384
  145    H    ALA  20           HN       ALA  20  -3.513   9.819   9.819
  146    HA   ALA  20           HA       ALA  20  -0.829   9.305   9.305
  147   1HB   ALA  20           HB3      ALA  20  -3.015   7.986   7.986
  148   2HB   ALA  20           HB2      ALA  20  -1.880   7.952   7.952
  149   3HB   ALA  20           HB1      ALA  20  -1.416   7.272   7.272
  150    H    LEU  21           HN       LEU  21  -2.183  10.316  10.316
  151    HA   LEU  21           HA       LEU  21   0.390  10.387  10.387
  152   1HB   LEU  21           HB1      LEU  21  -2.410  11.295  11.295
  153   2HB   LEU  21           HB2      LEU  21  -1.125  11.850  11.850
  154    HG   LEU  21           HG       LEU  21  -0.470   9.254   9.254
  155   1HD1  LEU  21          HD11      LEU  21  -2.482   8.891   8.891
  156   2HD1  LEU  21          HD13      LEU  21  -3.485   9.142   9.142
  157   3HD1  LEU  21          HD12      LEU  21  -2.337   7.804   7.804
  158   1HD2  LEU  21          HD22      LEU  21  -2.111  10.945  10.945
  159   2HD2  LEU  21          HD21      LEU  21  -0.820   9.819   9.819
  160   3HD2  LEU  21          HD23      LEU  21  -2.464   9.228   9.228
  161    H    ALA  22           HN       ALA  22  -1.695  12.941  12.941
  162    HA   ALA  22           HA       ALA  22   0.120  15.102  15.102
  163   1HB   ALA  22           HB1      ALA  22  -2.343  15.274  15.274
  164   2HB   ALA  22           HB3      ALA  22  -2.049  14.904  14.904
  165   3HB   ALA  22           HB2      ALA  22  -1.409  16.389  16.389
  166    H    ALA  23           HN       ALA  23  -0.718  13.610  13.610
  167    HA   ALA  23           HA       ALA  23   1.190  14.856  14.856
  168   1HB   ALA  23           HB1      ALA  23  -0.741  13.028  13.028
  169   2HB   ALA  23           HB3      ALA  23   0.641  11.931  11.931
  170   3HB   ALA  23           HB2      ALA  23   0.543  13.221  13.221
  171    H    HIS  24           HN       HIS  24   1.587  11.778  11.778
  172    HA   HIS  24           HA       HIS  24   4.541  11.988  11.988
  173   1HB   HIS  24           HB2      HIS  24   2.725   9.695   9.695
  174   2HB   HIS  24           HB1      HIS  24   4.464   9.561   9.561
  175    HD1  HIS  24           HD1      HIS  24   5.202  10.553  10.553
  176    HD2  HIS  24           HD2      HIS  24   1.324   9.109   9.109
  177    HE1  HIS  24           HE1      HIS  24   4.325  10.055  10.055
  178    H    LYS  25           HN       LYS  25   5.274  10.302  10.302
  179    HA   LYS  25           HA       LYS  25   4.474  11.957  11.957
  180   1HB   LYS  25           HB2      LYS  25   7.102  11.099  11.099
  181   2HB   LYS  25           HB1      LYS  25   6.964  11.191  11.191
  182   1HG   LYS  25           HG2      LYS  25   6.304  13.509  13.509
  183   2HG   LYS  25           HG1      LYS  25   6.154  13.444  13.444
  184   1HD   LYS  25           HD2      LYS  25   8.266  14.499  14.499
  185   2HD   LYS  25           HD1      LYS  25   8.615  12.883  12.883
  186   1HE   LYS  25           HE2      LYS  25   9.145  12.045  12.045
  187   2HE   LYS  25           HE1      LYS  25   8.325  13.388  13.388
  188   1HZ   LYS  25           HZ3      LYS  25   9.930  14.916  14.916
  189   2HZ   LYS  25           HZ2      LYS  25  10.724  13.632  13.632
  190   3HZ   LYS  25           HZ1      LYS  25  10.726  13.730  13.730
  191    H    TYR  26           HN       TYR  26   6.436   8.994   8.994
  192    HA   TYR  26           HA       TYR  26   5.012   7.726   7.726
  193   1HB   TYR  26           HB2      TYR  26   7.235   6.713   6.713
  194   2HB   TYR  26           HB1      TYR  26   6.779   6.052   6.052
  195    HD1  TYR  26           HD2      TYR  26   6.389   8.368   8.368
  196    HD2  TYR  26           HD1      TYR  26   9.336   7.708   7.708
  197    HE1  TYR  26           HE2      TYR  26   7.904   9.986   9.986
  198    HE2  TYR  26           HE1      TYR  26  10.852   9.327   9.327
  199    HH   TYR  26           HH       TYR  26  10.743  10.213  10.213
  200    H    LEU  27           HN       LEU  27   2.977   7.003   7.003
  201    HA   LEU  27           HA       LEU  27   2.908   5.256   5.256
  202   1HB   LEU  27           HB1      LEU  27   0.903   7.180   7.180
  203   2HB   LEU  27           HB2      LEU  27   0.455   6.005   6.005
  204    HG   LEU  27           HG       LEU  27   0.919   8.079   8.079
  205   1HD1  LEU  27          HD13      LEU  27   2.137   5.749   5.749
  206   2HD1  LEU  27          HD12      LEU  27   3.541   6.806   6.806
  207   3HD1  LEU  27          HD11      LEU  27   2.245   7.219   7.219
  208   1HD2  LEU  27          HD22      LEU  27   2.593   8.592   8.592
  209   2HD2  LEU  27          HD21      LEU  27   2.521   9.556   9.556
  210   3HD2  LEU  27          HD23      LEU  27   3.743   8.296   8.296
  211    H    LEU  28           HN       LEU  28   2.880   3.170   3.170
  212    HA   LEU  28           HA       LEU  28   1.604   2.520   2.520
  213   1HB   LEU  28           HB1      LEU  28   3.660   1.436   1.436
  214   2HB   LEU  28           HB2      LEU  28   2.622   0.721   0.721
  215    HG   LEU  28           HG       LEU  28   1.225  -0.205  -0.205
  216   1HD1  LEU  28          HD11      LEU  28   2.380   1.374   1.374
  217   2HD1  LEU  28          HD13      LEU  28   3.770   0.292   0.292
  218   3HD1  LEU  28          HD12      LEU  28   2.227  -0.307  -0.307
  219   1HD2  LEU  28          HD23      LEU  28   2.957  -1.436  -1.436
  220   2HD2  LEU  28          HD22      LEU  28   2.562  -2.167  -2.167
  221   3HD2  LEU  28          HD21      LEU  28   4.058  -1.252  -1.252
  222    H    VAL  29           HN       VAL  29  -0.529   1.870   1.870
  223    HA   VAL  29           HA       VAL  29  -2.030   1.273   1.273
  224    HB   VAL  29           HB       VAL  29  -3.056   2.490   2.490
  225   1HG1  VAL  29          HG23      VAL  29  -4.207   1.953   1.953
  226   2HG1  VAL  29          HG22      VAL  29  -4.867   3.234   3.234
  227   3HG1  VAL  29          HG21      VAL  29  -4.888   1.562   1.562
  228   1HG2  VAL  29          HG12      VAL  29  -2.216   3.811   3.811
  229   2HG2  VAL  29          HG11      VAL  29  -1.432   4.005   4.005
  230   3HG2  VAL  29          HG13      VAL  29  -3.063   4.627   4.627
  231    H    GLU  30           HN       GLU  30  -3.450  -0.478  -0.478
  232    HA   GLU  30           HA       GLU  30  -3.532  -2.127  -2.127
  233   1HB   GLU  30           HB1      GLU  30  -1.895  -3.050  -3.050
  234   2HB   GLU  30           HB2      GLU  30  -3.059  -2.965  -2.965
  235   1HG   GLU  30           HG2      GLU  30  -4.540  -4.531  -4.531
  236   2HG   GLU  30           HG1      GLU  30  -3.240  -4.709  -4.709
  237    H    PHE  31           HN       PHE  31  -5.659  -2.374  -2.374
  238    HA   PHE  31           HA       PHE  31  -7.775  -1.979  -1.979
  239   1HB   PHE  31           HB2      PHE  31  -7.629  -2.023  -2.023
  240   2HB   PHE  31           HB1      PHE  31  -9.169  -1.966  -1.966
  241    HD1  PHE  31           HD2      PHE  31  -5.927  -0.200  -0.200
  242    HD2  PHE  31           HD1      PHE  31  -9.967   0.052   0.052
  243    HE1  PHE  31           HE2      PHE  31  -5.668   2.249   2.249
  244    HE2  PHE  31           HE1      PHE  31  -9.711   2.501   2.501
  245    HZ   PHE  31           HZ       PHE  31  -7.562   3.601   3.601
  246    H    TYR  32           HN       TYR  32  -8.573  -3.839  -3.839
  247    HA   TYR  32           HA       TYR  32  -9.134  -6.159  -6.159
  248   1HB   TYR  32           HB1      TYR  32  -7.928  -7.695  -7.695
  249   2HB   TYR  32           HB2      TYR  32  -6.836  -6.397  -6.397
  250    HD1  TYR  32           HD2      TYR  32  -6.926  -4.290  -4.290
  251    HD2  TYR  32           HD1      TYR  32  -8.019  -8.311  -8.311
  252    HE1  TYR  32           HE2      TYR  32  -6.544  -3.774  -3.774
  253    HE2  TYR  32           HE1      TYR  32  -7.629  -7.796  -7.796
  254    HH   TYR  32           HH       TYR  32  -6.007  -5.010  -5.010
  255    H    ALA  33           HN       ALA  33 -10.039  -7.978  -7.978
  256    HA   ALA  33           HA       ALA  33 -11.925  -6.588  -6.588
  257   1HB   ALA  33           HB1      ALA  33 -12.539  -7.538  -7.538
  258   2HB   ALA  33           HB3      ALA  33 -13.174  -8.761  -8.761
  259   3HB   ALA  33           HB2      ALA  33 -13.693  -7.082  -7.082
  260    HA   PRO  34           HA       PRO  34 -11.012 -10.012 -10.012
  261   1HB   PRO  34           HB2      PRO  34 -13.381 -10.312 -10.312
  262   2HB   PRO  34           HB1      PRO  34 -12.243  -8.990  -8.990
  263   1HG   PRO  34           HG2      PRO  34 -14.743  -8.995  -8.995
  264   2HG   PRO  34           HG1      PRO  34 -14.132  -7.764  -7.764
  265   1HD   PRO  34           HD2      PRO  34 -13.896  -7.542  -7.542
  266   2HD   PRO  34           HD1      PRO  34 -12.709  -6.857  -6.857
  267    H    TRP  35           HN       TRP  35 -13.503 -10.127 -10.127
  268    HA   TRP  35           HA       TRP  35 -13.881 -13.061 -13.061
  269   1HB   TRP  35           HB2      TRP  35 -15.824 -12.684 -12.684
  270   2HB   TRP  35           HB1      TRP  35 -15.878 -11.628 -11.628
  271    HD1  TRP  35           HD1      TRP  35 -15.632  -9.055  -9.055
  272    HE1  TRP  35           HE1      TRP  35 -15.600  -7.566  -7.566
  273    HE3  TRP  35           HE3      TRP  35 -15.043 -12.629 -12.629
  274    HZ2  TRP  35           HZ2      TRP  35 -15.358  -7.852  -7.852
  275    HZ3  TRP  35           HZ3      TRP  35 -14.916 -11.992 -11.992
  276    HH2  TRP  35           HH2      TRP  35 -15.073  -9.611  -9.611
  277    H    CYS  36           HN       CYS  36 -11.906 -10.965 -10.965
  278    HA   CYS  36           HA       CYS  36 -11.929 -11.828 -11.828
  279   1HB   CYS  36           HB1      CYS  36 -10.482 -10.075 -10.075
  280   2HB   CYS  36           HB2      CYS  36  -9.621 -11.246 -11.246
  281    H    GLY  37           HN       GLY  37 -10.046 -13.337 -13.337
  282   1HA   GLY  37           HA1      GLY  37 -10.012 -15.778 -15.778
  283   2HA   GLY  37           HA2      GLY  37 -10.271 -15.927 -15.927
  284    H    HIS  38           HN       HIS  38  -8.475 -15.557 -15.557
  285    HA   HIS  38           HA       HIS  38  -5.946 -16.487 -16.487
  286   1HB   HIS  38           HB2      HIS  38  -5.226 -15.679 -15.679
  287   2HB   HIS  38           HB1      HIS  38  -6.735 -16.587 -16.587
  288    HD1  HIS  38           HD1      HIS  38  -8.838 -15.347 -15.347
  289    HD2  HIS  38           HD2      HIS  38  -5.557 -12.818 -12.818
  290    HE1  HIS  38           HE1      HIS  38  -9.513 -13.107 -13.107
  291    H    CYS  39           HN       CYS  39  -7.341 -13.343 -13.343
  292    HA   CYS  39           HA       CYS  39  -4.994 -11.708 -11.708
  293   1HB   CYS  39           HB2      CYS  39  -7.733 -11.538 -11.538
  294   2HB   CYS  39           HB1      CYS  39  -6.559 -10.236 -10.236
  295    H    LYS  40           HN       LYS  40  -6.197 -14.004 -14.004
  296    HA   LYS  40           HA       LYS  40  -4.945 -12.838 -12.838
  297   1HB   LYS  40           HB2      LYS  40  -6.164 -15.501 -15.501
  298   2HB   LYS  40           HB1      LYS  40  -5.454 -15.222 -15.222
  299   1HG   LYS  40           HG2      LYS  40  -7.008 -13.487 -13.487
  300   2HG   LYS  40           HG1      LYS  40  -7.538 -13.374 -13.374
  301   1HD   LYS  40           HD2      LYS  40  -8.687 -15.449 -15.449
  302   2HD   LYS  40           HD1      LYS  40  -7.865 -15.917 -15.917
  303   1HE   LYS  40           HE2      LYS  40  -9.146 -14.439 -14.439
  304   2HE   LYS  40           HE1      LYS  40  -9.622 -13.459 -13.459
  305   1HZ   LYS  40           HZ3      LYS  40 -10.740 -15.467 -15.467
  306   2HZ   LYS  40           HZ2      LYS  40 -10.431 -16.257 -16.257
  307   3HZ   LYS  40           HZ1      LYS  40 -11.439 -14.891 -14.891
  308    H    ALA  41           HN       ALA  41  -3.896 -14.882 -14.882
  309    HA   ALA  41           HA       ALA  41  -1.666 -16.156 -16.156
  310   1HB   ALA  41           HB2      ALA  41  -2.852 -16.835 -16.835
  311   2HB   ALA  41           HB1      ALA  41  -2.039 -15.490 -15.490
  312   3HB   ALA  41           HB3      ALA  41  -1.092 -16.815 -16.815
  313    H    LEU  42           HN       LEU  42  -2.164 -12.988 -12.988
  314    HA   LEU  42           HA       LEU  42   0.775 -12.448 -12.448
  315   1HB   LEU  42           HB2      LEU  42  -0.956 -11.966 -11.966
  316   2HB   LEU  42           HB1      LEU  42  -1.375 -10.563 -10.563
  317    HG   LEU  42           HG       LEU  42   1.340 -10.396 -10.396
  318   1HD1  LEU  42          HD11      LEU  42   1.317 -12.403 -12.403
  319   2HD1  LEU  42          HD13      LEU  42   0.708 -11.266 -11.266
  320   3HD1  LEU  42          HD12      LEU  42   2.289 -11.008 -11.008
  321   1HD2  LEU  42          HD22      LEU  42  -0.676  -8.837  -8.837
  322   2HD2  LEU  42          HD21      LEU  42   1.010  -8.464  -8.464
  323   3HD2  LEU  42          HD23      LEU  42   0.003  -9.269  -9.269
  324    H    ALA  43           HN       ALA  43  -1.249 -12.559 -12.559
  325    HA   ALA  43           HA       ALA  43  -1.424  -9.839  -9.839
  326   1HB   ALA  43           HB1      ALA  43  -2.286 -12.507 -12.507
  327   2HB   ALA  43           HB3      ALA  43  -1.578 -11.759 -11.759
  328   3HB   ALA  43           HB2      ALA  43  -2.917 -10.972 -10.972
  329    HA   PRO  44           HA       PRO  44   2.219 -11.135 -11.135
  330   1HB   PRO  44           HB2      PRO  44   3.464 -13.526 -13.526
  331   2HB   PRO  44           HB1      PRO  44   2.077 -13.349 -13.349
  332   1HG   PRO  44           HG2      PRO  44   2.189 -14.379 -14.379
  333   2HG   PRO  44           HG1      PRO  44   1.189 -14.910 -14.910
  334   1HD   PRO  44           HD1      PRO  44   0.293 -13.330 -13.330
  335   2HD   PRO  44           HD2      PRO  44  -0.439 -13.381 -13.381
  336    H    GLU  45           HN       GLU  45   2.137 -11.220 -11.220
  337    HA   GLU  45           HA       GLU  45   5.099 -10.986 -10.986
  338   1HB   GLU  45           HB2      GLU  45   2.811 -11.262 -11.262
  339   2HB   GLU  45           HB1      GLU  45   4.515 -11.183 -11.183
  340   1HG   GLU  45           HG2      GLU  45   4.929 -13.196 -13.196
  341   2HG   GLU  45           HG1      GLU  45   3.191 -13.310 -13.310
  342    H    TYR  46           HN       TYR  46   2.074  -9.253  -9.253
  343    HA   TYR  46           HA       TYR  46   3.282  -6.852  -6.852
  344   1HB   TYR  46           HB2      TYR  46   1.103  -7.153  -7.153
  345   2HB   TYR  46           HB1      TYR  46   0.603  -7.934  -7.934
  346    HD1  TYR  46           HD2      TYR  46   1.289  -4.683  -4.683
  347    HD2  TYR  46           HD1      TYR  46  -0.339  -6.670  -6.670
  348    HE1  TYR  46           HE2      TYR  46   0.284  -2.544  -2.544
  349    HE2  TYR  46           HE1      TYR  46  -1.347  -4.536  -4.536
  350    HH   TYR  46           HH       TYR  46  -2.083  -2.379  -2.379
  351    H    ALA  47           HN       ALA  47   2.678  -8.180  -8.180
  352    HA   ALA  47           HA       ALA  47   2.932  -5.534  -5.534
  353   1HB   ALA  47           HB3      ALA  47   1.365  -7.587  -7.587
  354   2HB   ALA  47           HB2      ALA  47   2.797  -8.191  -8.191
  355   3HB   ALA  47           HB1      ALA  47   2.083  -6.649  -6.649
  356    H    LYS  48           HN       LYS  48   4.864  -8.294  -8.294
  357    HA   LYS  48           HA       LYS  48   6.954  -7.773  -7.773
  358   1HB   LYS  48           HB2      LYS  48   6.147  -9.819  -9.819
  359   2HB   LYS  48           HB1      LYS  48   7.868  -9.475  -9.475
  360   1HG   LYS  48           HG2      LYS  48   7.631 -11.197 -11.197
  361   2HG   LYS  48           HG1      LYS  48   8.085  -9.704  -9.704
  362   1HD   LYS  48           HD2      LYS  48   5.856  -9.323  -9.323
  363   2HD   LYS  48           HD1      LYS  48   5.200 -10.545 -10.545
  364   1HE   LYS  48           HE2      LYS  48   6.130 -12.337 -12.337
  365   2HE   LYS  48           HE1      LYS  48   7.176 -11.234 -11.234
  366   1HZ   LYS  48           HZ2      LYS  48   4.205 -11.158 -11.158
  367   2HZ   LYS  48           HZ1      LYS  48   5.156 -11.818 -11.818
  368   3HZ   LYS  48           HZ3      LYS  48   5.232 -10.157 -10.157
  369    H    ALA  49           HN       ALA  49   6.331  -7.073  -7.073
  370    HA   ALA  49           HA       ALA  49   8.929  -6.301  -6.301
  371   1HB   ALA  49           HB3      ALA  49   6.100  -5.774  -5.774
  372   2HB   ALA  49           HB2      ALA  49   7.300  -4.657  -4.657
  373   3HB   ALA  49           HB1      ALA  49   7.426  -6.383  -6.383
  374    H    ALA  50           HN       ALA  50   6.384  -4.419  -4.419
  375    HA   ALA  50           HA       ALA  50   7.614  -1.864  -1.864
  376   1HB   ALA  50           HB2      ALA  50   5.281  -2.440  -2.440
  377   2HB   ALA  50           HB1      ALA  50   5.929  -3.132  -3.132
  378   3HB   ALA  50           HB3      ALA  50   6.098  -1.406  -1.406
  379    H    GLY  51           HN       GLY  51   8.303  -4.690  -4.690
  380   1HA   GLY  51           HA2      GLY  51   9.827  -3.296  -3.296
  381   2HA   GLY  51           HA1      GLY  51   9.858  -5.034  -5.034
  382    H    LYS  52           HN       LYS  52  10.517  -4.545  -4.545
  383    HA   LYS  52           HA       LYS  52  13.393  -4.635  -4.635
  384   1HB   LYS  52           HB2      LYS  52  11.387  -4.445  -4.445
  385   2HB   LYS  52           HB1      LYS  52  13.122  -4.491  -4.491
  386   1HG   LYS  52           HG2      LYS  52  11.863  -6.550  -6.550
  387   2HG   LYS  52           HG1      LYS  52  11.792  -6.741  -6.741
  388   1HD   LYS  52           HD2      LYS  52  14.335  -6.329  -6.329
  389   2HD   LYS  52           HD1      LYS  52  14.239  -6.604  -6.604
  390   1HE   LYS  52           HE2      LYS  52  12.845  -8.629  -8.629
  391   2HE   LYS  52           HE1      LYS  52  14.616  -8.618  -8.618
  392   1HZ   LYS  52           HZ3      LYS  52  13.279  -8.407  -8.407
  393   2HZ   LYS  52           HZ2      LYS  52  13.584  -9.925  -9.925
  394   3HZ   LYS  52           HZ1      LYS  52  14.872  -8.878  -8.878
  395    H    LEU  53           HN       LEU  53  11.226  -1.993  -1.993
  396    HA   LEU  53           HA       LEU  53  13.112  -0.132  -0.132
  397   1HB   LEU  53           HB2      LEU  53  10.579   0.619   0.619
  398   2HB   LEU  53           HB1      LEU  53  11.306   1.401   1.401
  399    HG   LEU  53           HG       LEU  53   9.900  -1.283  -1.283
  400   1HD1  LEU  53          HD22      LEU  53   9.111   1.462   1.462
  401   2HD1  LEU  53          HD21      LEU  53   8.812   0.368   0.368
  402   3HD1  LEU  53          HD23      LEU  53   8.103   0.033   0.033
  403   1HD2  LEU  53          HD11      LEU  53  11.713   0.010   0.010
  404   2HD2  LEU  53          HD13      LEU  53  11.480  -1.701  -1.701
  405   3HD2  LEU  53          HD12      LEU  53  10.295  -0.837  -0.837
  406    H    LYS  54           HN       LYS  54  11.678  -0.719  -0.719
  407    HA   LYS  54           HA       LYS  54  12.765   1.382   1.382
  408   1HB   LYS  54           HB2      LYS  54  11.178  -0.344  -0.344
  409   2HB   LYS  54           HB1      LYS  54  12.465  -1.549  -1.549
  410   1HG   LYS  54           HG2      LYS  54  13.707  -0.409  -0.409
  411   2HG   LYS  54           HG1      LYS  54  12.618   0.977   0.977
  412   1HD   LYS  54           HD2      LYS  54  10.756  -0.445  -0.445
  413   2HD   LYS  54           HD1      LYS  54  11.842  -1.834  -1.834
  414   1HE   LYS  54           HE2      LYS  54  12.149  -1.200  -1.200
  415   2HE   LYS  54           HE1      LYS  54  13.225   0.033   0.033
  416   1HZ   LYS  54           HZ2      LYS  54  10.292   0.408   0.408
  417   2HZ   LYS  54           HZ1      LYS  54  11.367   0.901   0.901
  418   3HZ   LYS  54           HZ3      LYS  54  11.474   1.585   1.585
  419    H    ALA  55           HN       ALA  55  14.376  -1.521  -1.521
  420    HA   ALA  55           HA       ALA  55  16.831  -1.024  -1.024
  421   1HB   ALA  55           HB1      ALA  55  15.945  -3.284  -3.284
  422   2HB   ALA  55           HB3      ALA  55  16.205  -2.918  -2.918
  423   3HB   ALA  55           HB2      ALA  55  17.581  -3.036  -3.036
  424    H    GLU  56           HN       GLU  56  15.563  -0.340  -0.340
  425    HA   GLU  56           HA       GLU  56  18.200   0.481   0.481
  426   1HB   GLU  56           HB1      GLU  56  15.360   0.395   0.395
  427   2HB   GLU  56           HB2      GLU  56  16.693   1.051   1.051
  428   1HG   GLU  56           HG2      GLU  56  17.295  -1.559  -1.559
  429   2HG   GLU  56           HG1      GLU  56  15.950  -1.609  -1.609
  430    H    GLY  57           HN       GLY  57  15.235   1.940   1.940
  431   1HA   GLY  57           HA1      GLY  57  14.993   4.128   4.128
  432   2HA   GLY  57           HA2      GLY  57  16.629   4.498   4.498
  433    H    SER  58           HN       SER  58  14.219   3.117   3.117
  434    HA   SER  58           HA       SER  58  14.563   5.273   5.273
  435   1HB   SER  58           HB2      SER  58  12.545   3.934   3.934
  436   2HB   SER  58           HB1      SER  58  14.119   3.148   3.148
  437    HG   SER  58           HG       SER  58  11.982   2.183   2.183
  438    H    GLU  59           HN       GLU  59  12.532   6.406   6.406
  439    HA   GLU  59           HA       GLU  59  10.915   7.437   7.437
  440   1HB   GLU  59           HB1      GLU  59  10.653   9.417   9.417
  441   2HB   GLU  59           HB2      GLU  59  12.360   9.011   9.011
  442   1HG   GLU  59           HG2      GLU  59  11.758   9.503   9.503
  443   2HG   GLU  59           HG1      GLU  59  12.342   7.852   7.852
  444    H    ILE  60           HN       ILE  60  10.410   4.938   4.938
  445    HA   ILE  60           HA       ILE  60   7.850   5.663   5.663
  446    HB   ILE  60           HB       ILE  60   8.163   3.534   3.534
  447   1HG1  ILE  60          HG11      ILE  60  10.561   3.191   3.191
  448   2HG1  ILE  60          HG12      ILE  60   9.088   2.227   2.227
  449   1HG2  ILE  60          HG21      ILE  60   9.397   5.535   5.535
  450   2HG2  ILE  60          HG23      ILE  60  10.783   5.054   5.054
  451   3HG2  ILE  60          HG22      ILE  60  10.251   4.035   4.035
  452   1HD1  ILE  60          HD11      ILE  60  11.008   2.433   2.433
  453   2HD1  ILE  60          HD13      ILE  60  10.900   1.072   1.072
  454   3HD1  ILE  60          HD12      ILE  60   9.546   1.446   1.446
  455    H    ARG  61           HN       ARG  61   5.939   4.460   4.460
  456    HA   ARG  61           HA       ARG  61   6.116   2.720   2.720
  457   1HB   ARG  61           HB2      ARG  61   4.852   5.364   5.364
  458   2HB   ARG  61           HB1      ARG  61   3.820   4.162   4.162
  459   1HG   ARG  61           HG1      ARG  61   5.009   4.257   4.257
  460   2HG   ARG  61           HG2      ARG  61   6.531   4.063   4.063
  461   1HD   ARG  61           HD2      ARG  61   6.900   6.341   6.341
  462   2HD   ARG  61           HD1      ARG  61   5.167   6.717   6.717
  463    HE   ARG  61           HE       ARG  61   5.190   6.870   6.870
  464   1HH1  ARG  61          HH21      ARG  61   8.304   6.127   6.127
  465   2HH1  ARG  61          HH22      ARG  61   8.693   5.241   5.241
  466   1HH2  ARG  61          HH11      ARG  61   5.425   5.160   5.160
  467   2HH2  ARG  61          HH12      ARG  61   7.064   4.694   4.694
  468    H    LEU  62           HN       LEU  62   4.418   1.167   1.167
  469    HA   LEU  62           HA       LEU  62   2.996   0.668   0.668
  470   1HB   LEU  62           HB2      LEU  62   3.959  -0.913  -0.913
  471   2HB   LEU  62           HB1      LEU  62   2.590  -1.546  -1.546
  472    HG   LEU  62           HG       LEU  62   4.410  -0.711  -0.711
  473   1HD1  LEU  62          HD22      LEU  62   5.908  -0.872  -0.872
  474   2HD1  LEU  62          HD21      LEU  62   6.021  -2.532  -2.532
  475   3HD1  LEU  62          HD23      LEU  62   6.541  -1.199  -1.199
  476   1HD2  LEU  62          HD11      LEU  62   3.950  -3.472  -3.472
  477   2HD2  LEU  62          HD13      LEU  62   2.957  -2.706  -2.706
  478   3HD2  LEU  62          HD12      LEU  62   4.630  -3.137  -3.137
  479    H    ALA  63           HN       ALA  63   0.698   0.299   0.299
  480    HA   ALA  63           HA       ALA  63  -0.779   0.741   0.741
  481   1HB   ALA  63           HB1      ALA  63  -0.194   2.772   2.772
  482   2HB   ALA  63           HB3      ALA  63  -1.922   2.432   2.432
  483   3HB   ALA  63           HB2      ALA  63  -1.201   2.906   2.906
  484    H    LYS  64           HN       LYS  64  -3.012   0.044   0.044
  485    HA   LYS  64           HA       LYS  64  -3.697  -1.381  -1.381
  486   1HB   LYS  64           HB1      LYS  64  -4.798  -3.065  -3.065
  487   2HB   LYS  64           HB2      LYS  64  -3.043  -3.040  -3.040
  488   1HG   LYS  64           HG2      LYS  64  -2.962  -1.978  -1.978
  489   2HG   LYS  64           HG1      LYS  64  -4.594  -1.331  -1.331
  490   1HD   LYS  64           HD2      LYS  64  -5.583  -3.267  -3.267
  491   2HD   LYS  64           HD1      LYS  64  -4.356  -4.291  -4.291
  492   1HE   LYS  64           HE2      LYS  64  -2.744  -3.529  -3.529
  493   2HE   LYS  64           HE1      LYS  64  -4.122  -2.753  -2.753
  494   1HZ   LYS  64           HZ2      LYS  64  -5.296  -4.888  -4.888
  495   2HZ   LYS  64           HZ1      LYS  64  -3.929  -5.619  -5.619
  496   3HZ   LYS  64           HZ3      LYS  64  -3.854  -5.019  -5.019
  497    H    VAL  65           HN       VAL  65  -6.138  -1.975  -1.975
  498    HA   VAL  65           HA       VAL  65  -7.767   0.119   0.119
  499    HB   VAL  65           HB       VAL  65  -7.584  -0.403  -0.403
  500   1HG1  VAL  65          HG12      VAL  65  -9.769   0.698   0.698
  501   2HG1  VAL  65          HG11      VAL  65  -9.300   1.719   1.719
  502   3HG1  VAL  65          HG13      VAL  65  -9.817   0.056   0.056
  503   1HG2  VAL  65          HG21      VAL  65  -7.011   1.978   1.978
  504   2HG2  VAL  65          HG23      VAL  65  -5.878   1.115   1.115
  505   3HG2  VAL  65          HG22      VAL  65  -7.152   2.103   2.103
  506    H    ASP  66           HN       ASP  66  -9.880  -0.584  -0.584
  507    HA   ASP  66           HA       ASP  66 -10.411  -3.459  -3.459
  508   1HB   ASP  66           HB1      ASP  66 -11.292  -1.433  -1.433
  509   2HB   ASP  66           HB2      ASP  66 -12.263  -2.881  -2.881
  510    H    ALA  67           HN       ALA  67 -11.290  -3.364  -3.364
  511    HA   ALA  67           HA       ALA  67 -12.978  -1.473  -1.473
  512   1HB   ALA  67           HB1      ALA  67 -11.932  -3.650  -3.650
  513   2HB   ALA  67           HB3      ALA  67 -13.367  -4.459  -4.459
  514   3HB   ALA  67           HB2      ALA  67 -13.527  -3.224  -3.224
  515    H    THR  68           HN       THR  68 -13.767  -3.817  -3.817
  516    HA   THR  68           HA       THR  68 -16.678  -3.373  -3.373
  517    HB   THR  68           HB       THR  68 -16.769  -5.058  -5.058
  518    HG1  THR  68           HG1      THR  68 -13.950  -5.055  -5.055
  519   1HG2  THR  68          HG22      THR  68 -16.137  -5.595  -5.595
  520   2HG2  THR  68          HG21      THR  68 -14.549  -5.968  -5.968
  521   3HG2  THR  68          HG23      THR  68 -15.969  -6.858  -6.858
  522    H    GLU  69           HN       GLU  69 -14.448  -1.340  -1.340
  523    HA   GLU  69           HA       GLU  69 -16.085  -0.414  -0.414
  524   1HB   GLU  69           HB2      GLU  69 -13.679  -1.614  -1.614
  525   2HB   GLU  69           HB1      GLU  69 -13.139   0.041   0.041
  526   1HG   GLU  69           HG2      GLU  69 -14.598   0.827   0.827
  527   2HG   GLU  69           HG1      GLU  69 -15.135  -0.828  -0.828
  528    HA   GLU  70           HA       GLU  70 -14.765   3.246   3.246
  529   1HB   GLU  70           HB1      GLU  70 -12.486   4.154   4.154
  530   2HB   GLU  70           HB2      GLU  70 -12.626   3.213   3.213
  531   1HG   GLU  70           HG2      GLU  70 -11.015   2.684   2.684
  532   2HG   GLU  70           HG1      GLU  70 -10.745   2.171   2.171
  533    HE1  GLU  70           HN       GLU  70 -13.411   0.573   0.573
  534    H    SER  71           HN       SER  71 -15.505   1.160   1.160
  535    HA   SER  71           HA       SER  71 -14.025   0.932   0.932
  536   1HB   SER  71           HB2      SER  71 -16.397   0.011   0.011
  537   2HB   SER  71           HB1      SER  71 -16.950   0.988   0.988
  538    HG   SER  71           HG       SER  71 -16.463  -1.214  -1.214
  539    H    ASP  72           HN       ASP  72 -15.845   3.601   3.601
  540    HA   ASP  72           HA       ASP  72 -16.769   4.948   4.948
  541   1HB   ASP  72           HB2      ASP  72 -15.801   5.614   5.614
  542   2HB   ASP  72           HB1      ASP  72 -15.833   6.959   6.959
  543    H    LEU  73           HN       LEU  73 -13.482   4.405   4.405
  544    HA   LEU  73           HA       LEU  73 -12.419   6.389   6.389
  545   1HB   LEU  73           HB1      LEU  73 -11.391   4.799   4.799
  546   2HB   LEU  73           HB2      LEU  73 -10.243   5.457   5.457
  547    HG   LEU  73           HG       LEU  73 -11.572   7.685   7.685
  548   1HD1  LEU  73          HD11      LEU  73 -13.392   6.613   6.613
  549   2HD1  LEU  73          HD13      LEU  73 -12.217   6.222   6.222
  550   3HD1  LEU  73          HD12      LEU  73 -12.592   7.906   7.906
  551   1HD2  LEU  73          HD23      LEU  73  -9.695   6.460   6.460
  552   2HD2  LEU  73          HD22      LEU  73  -9.281   7.523   7.523
  553   3HD2  LEU  73          HD21      LEU  73 -10.169   8.158   8.158
  554    H    ALA  74           HN       ALA  74 -12.542   2.911   2.911
  555    HA   ALA  74           HA       ALA  74 -10.679   2.070   2.070
  556   1HB   ALA  74           HB1      ALA  74 -12.070   0.898   0.898
  557   2HB   ALA  74           HB3      ALA  74 -13.099   0.441   0.441
  558   3HB   ALA  74           HB2      ALA  74 -11.400  -0.028  -0.028
  559    H    GLN  75           HN       GLN  75 -14.268   2.140   2.140
  560    HA   GLN  75           HA       GLN  75 -14.573   1.480   1.480
  561   1HB   GLN  75           HB2      GLN  75 -16.115   2.459   2.459
  562   2HB   GLN  75           HB1      GLN  75 -16.517   3.431   3.431
  563   1HG   GLN  75           HG1      GLN  75 -17.261   1.579   1.579
  564   2HG   GLN  75           HG2      GLN  75 -16.365   0.435   0.435
  565   1HE2  GLN  75          HE22      GLN  75 -19.012   0.006   0.006
  566   2HE2  GLN  75          HE21      GLN  75 -17.470  -0.483  -0.483
  567    H    GLN  76           HN       GLN  76 -13.743   4.558   4.558
  568    HA   GLN  76           HA       GLN  76 -14.196   6.293   6.293
  569   1HB   GLN  76           HB2      GLN  76 -13.459   6.558   6.558
  570   2HB   GLN  76           HB1      GLN  76 -11.875   6.724   6.724
  571   1HG   GLN  76           HG1      GLN  76 -12.565   8.604   8.604
  572   2HG   GLN  76           HG2      GLN  76 -14.271   8.288   8.288
  573   1HE2  GLN  76          HE22      GLN  76 -14.287  10.271  10.271
  574   2HE2  GLN  76          HE21      GLN  76 -15.166   9.531   9.531
  575    H    TYR  77           HN       TYR  77 -11.453   4.231   4.231
  576    HA   TYR  77           HA       TYR  77  -9.800   5.228   5.228
  577   1HB   TYR  77           HB1      TYR  77  -9.531   3.017   3.017
  578   2HB   TYR  77           HB2      TYR  77  -8.265   3.445   3.445
  579    HD1  TYR  77           HD1      TYR  77  -8.084   6.236   6.236
  580    HD2  TYR  77           HD2      TYR  77  -9.140   3.864   3.864
  581    HE1  TYR  77           HE1      TYR  77  -7.347   8.070   8.070
  582    HE2  TYR  77           HE2      TYR  77  -8.402   5.697   5.697
  583    HH   TYR  77           HH       TYR  77  -6.630   8.417   8.417
  584    H    GLY  78           HN       GLY  78 -11.311   2.109   2.109
  585   1HA   GLY  78           HA1      GLY  78 -12.589   1.036   1.036
  586   2HA   GLY  78           HA2      GLY  78 -11.126   1.337   1.337
  587    H    VAL  79           HN       VAL  79 -11.772   0.012   0.012
  588    HA   VAL  79           HA       VAL  79  -9.753  -2.111  -2.111
  589    HB   VAL  79           HB       VAL  79 -11.244  -1.305  -1.305
  590   1HG1  VAL  79          HG13      VAL  79  -9.785  -3.576  -3.576
  591   2HG1  VAL  79          HG12      VAL  79  -8.552  -2.486  -2.486
  592   3HG1  VAL  79          HG11      VAL  79  -9.987  -2.841  -2.841
  593   1HG2  VAL  79          HG22      VAL  79  -9.023  -0.065  -0.065
  594   2HG2  VAL  79          HG21      VAL  79  -9.991   0.578   0.578
  595   3HG2  VAL  79          HG23      VAL  79  -8.607  -0.461  -0.461
  596    H    ARG  80           HN       ARG  80 -10.940  -3.626  -3.626
  597    HA   ARG  80           HA       ARG  80 -13.399  -4.766  -4.766
  598   1HB   ARG  80           HB2      ARG  80 -12.496  -4.225  -4.225
  599   2HB   ARG  80           HB1      ARG  80 -13.544  -5.618  -5.618
  600   1HG   ARG  80           HG2      ARG  80 -15.115  -4.085  -4.085
  601   2HG   ARG  80           HG1      ARG  80 -14.117  -2.731  -2.731
  602   1HD   ARG  80           HD2      ARG  80 -14.963  -2.796  -2.796
  603   2HD   ARG  80           HD1      ARG  80 -14.901  -4.570  -4.570
  604    HE   ARG  80           HE       ARG  80 -16.912  -4.272  -4.272
  605   1HH1  ARG  80          HH21      ARG  80 -16.834  -4.013  -4.013
  606   2HH1  ARG  80          HH22      ARG  80 -18.189  -2.947  -2.947
  607   1HH2  ARG  80          HH11      ARG  80 -18.390  -2.226  -2.226
  608   2HH2  ARG  80          HH12      ARG  80 -19.069  -1.935  -1.935
  609    H    GLY  81           HN       GLY  81 -10.825  -5.624  -5.624
  610   1HA   GLY  81           HA2      GLY  81 -11.026  -8.427  -8.427
  611   2HA   GLY  81           HA1      GLY  81  -9.893  -7.951  -7.951
  612    H    TYR  82           HN       TYR  82 -10.319  -8.403  -8.403
  613    HA   TYR  82           HA       TYR  82  -7.886  -6.953  -6.953
  614   1HB   TYR  82           HB1      TYR  82  -9.461  -8.988  -8.988
  615   2HB   TYR  82           HB2      TYR  82  -8.505  -7.642  -7.642
  616    HD1  TYR  82           HD1      TYR  82  -9.443  -5.494  -5.494
  617    HD2  TYR  82           HD2      TYR  82 -11.603  -8.484  -8.484
  618    HE1  TYR  82           HE1      TYR  82 -11.465  -4.057  -4.057
  619    HE2  TYR  82           HE2      TYR  82 -13.624  -7.048  -7.048
  620    HH   TYR  82           HH       TYR  82 -13.890  -4.295  -4.295
  621    HA   PRO  83           HA       PRO  83  -6.632  -7.219  -7.219
  622   1HB   PRO  83           HB2      PRO  83  -3.957  -7.387  -7.387
  623   2HB   PRO  83           HB1      PRO  83  -5.168  -8.339  -8.339
  624   1HG   PRO  83           HG1      PRO  83  -3.217  -9.188  -9.188
  625   2HG   PRO  83           HG2      PRO  83  -4.062 -10.142 -10.142
  626   1HD   PRO  83           HD2      PRO  83  -4.660  -9.921  -9.921
  627   2HD   PRO  83           HD1      PRO  83  -5.520 -10.866 -10.866
  628    H    THR  84           HN       THR  84  -6.552  -5.265  -5.265
  629    HA   THR  84           HA       THR  84  -4.798  -4.964  -4.964
  630    HB   THR  84           HB       THR  84  -6.632  -2.878  -2.878
  631    HG1  THR  84           HG1      THR  84  -7.439  -5.080  -5.080
  632   1HG2  THR  84          HG21      THR  84  -5.376  -3.532  -3.532
  633   2HG2  THR  84          HG23      THR  84  -7.052  -2.991  -2.991
  634   3HG2  THR  84          HG22      THR  84  -5.836  -1.965  -1.965
  635    H    ILE  85           HN       ILE  85  -2.809  -3.992  -3.992
  636    HA   ILE  85           HA       ILE  85  -2.354  -2.245  -2.245
  637    HB   ILE  85           HB       ILE  85  -0.451  -4.061  -4.061
  638   1HG1  ILE  85          HG11      ILE  85  -1.131  -4.548  -4.548
  639   2HG1  ILE  85          HG12      ILE  85  -2.432  -4.853  -4.853
  640   1HG2  ILE  85          HG22      ILE  85  -0.141  -2.131  -2.131
  641   2HG2  ILE  85          HG21      ILE  85   0.843  -3.594  -3.594
  642   3HG2  ILE  85          HG23      ILE  85   0.946  -2.445  -2.445
  643   1HD1  ILE  85          HD13      ILE  85  -0.764  -6.216  -6.216
  644   2HD1  ILE  85          HD12      ILE  85   0.336  -6.079  -6.079
  645   3HD1  ILE  85          HD11      ILE  85  -1.210  -6.908  -6.908
  646    H    LYS  86           HN       LYS  86  -1.622  -0.198  -0.198
  647    HA   LYS  86           HA       LYS  86  -0.450   0.383   0.383
  648   1HB   LYS  86           HB2      LYS  86  -2.541   2.040   2.040
  649   2HB   LYS  86           HB1      LYS  86  -1.900   2.339   2.339
  650   1HG   LYS  86           HG1      LYS  86  -3.383  -0.188  -0.188
  651   2HG   LYS  86           HG2      LYS  86  -4.150   1.202   1.202
  652   1HD   LYS  86           HD2      LYS  86  -1.736  -0.174  -0.174
  653   2HD   LYS  86           HD1      LYS  86  -3.386  -0.673  -0.673
  654   1HE   LYS  86           HE2      LYS  86  -3.199   2.197   2.197
  655   2HE   LYS  86           HE1      LYS  86  -1.933   1.437   1.437
  656   1HZ   LYS  86           HZ3      LYS  86  -3.747  -0.177  -0.177
  657   2HZ   LYS  86           HZ2      LYS  86  -4.855   0.931   0.931
  658   3HZ   LYS  86           HZ1      LYS  86  -3.852   1.391   1.391
  659    H    PHE  87           HN       PHE  87   0.710   2.561   2.561
  660    HA   PHE  87           HA       PHE  87   1.897   2.994   2.994
  661   1HB   PHE  87           HB2      PHE  87   3.424   2.068   2.068
  662   2HB   PHE  87           HB1      PHE  87   3.004   3.349   3.349
  663    HD1  PHE  87           HD1      PHE  87   3.653   3.547   3.547
  664    HD2  PHE  87           HD2      PHE  87   4.973   4.613   4.613
  665    HE1  PHE  87           HE1      PHE  87   5.409   4.999   4.999
  666    HE2  PHE  87           HE2      PHE  87   6.728   6.065   6.065
  667    HZ   PHE  87           HZ       PHE  87   6.947   6.258   6.258
  668    H    PHE  88           HN       PHE  88   1.399   4.939   4.939
  669    HA   PHE  88           HA       PHE  88   0.536   7.177   7.177
  670   1HB   PHE  88           HB1      PHE  88  -0.101   6.272   6.272
  671   2HB   PHE  88           HB2      PHE  88  -0.392   7.943   7.943
  672    HD1  PHE  88           HD2      PHE  88  -1.970   8.473   8.473
  673    HD2  PHE  88           HD1      PHE  88  -1.452   4.470   4.470
  674    HE1  PHE  88           HE2      PHE  88  -4.071   7.789   7.789
  675    HE2  PHE  88           HE1      PHE  88  -3.555   3.786   3.786
  676    HZ   PHE  88           HZ       PHE  88  -4.865   5.444   5.444
  677    H    ARG  89           HN       ARG  89   2.027   8.830   8.830
  678    HA   ARG  89           HA       ARG  89   4.029   9.147   9.147
  679   1HB   ARG  89           HB1      ARG  89   5.422  10.094  10.094
  680   2HB   ARG  89           HB2      ARG  89   5.107   8.367   8.367
  681   1HG   ARG  89           HG2      ARG  89   3.395   8.653   8.653
  682   2HG   ARG  89           HG1      ARG  89   3.396  10.403  10.403
  683   1HD   ARG  89           HD2      ARG  89   5.466  10.660  10.660
  684   2HD   ARG  89           HD1      ARG  89   5.908   8.959   8.959
  685    HE   ARG  89           HE       ARG  89   3.677   9.811   9.811
  686   1HH1  ARG  89          HH11      ARG  89   5.114   7.091   7.091
  687   2HH1  ARG  89          HH12      ARG  89   5.503   6.359   6.359
  688   1HH2  ARG  89          HH21      ARG  89   4.684   9.167   9.167
  689   2HH2  ARG  89          HH22      ARG  89   5.260   7.534   7.534
  690    H    ASN  90           HN       ASN  90   3.550  10.935  10.935
  691    HA   ASN  90           HA       ASN  90   2.785  13.107  13.107
  692   1HB   ASN  90           HB2      ASN  90   4.992  13.453  13.453
  693   2HB   ASN  90           HB1      ASN  90   4.281  13.490  13.490
  694   1HD2  ASN  90          HD22      ASN  90   4.290  17.025  17.025
  695   2HD2  ASN  90          HD21      ASN  90   5.078  15.735  15.735
  696    H    GLY  91           HN       GLY  91   0.458  12.433  12.433
  697   1HA   GLY  91           HA2      GLY  91  -1.599  12.792  12.792
  698   2HA   GLY  91           HA1      GLY  91  -0.947  14.394  14.394
  699    H    ASP  92           HN       ASP  92  -1.015  11.084  11.084
  700    HA   ASP  92           HA       ASP  92  -0.442  12.200  12.200
  701   1HB   ASP  92           HB1      ASP  92   1.054  10.445  10.445
  702   2HB   ASP  92           HB2      ASP  92  -0.227   9.306   9.306
  703    H    THR  93           HN       THR  93  -3.083  11.732  11.732
  704    HA   THR  93           HA       THR  93  -4.676   9.696   9.696
  705    HB   THR  93           HB       THR  93  -5.769  12.476  12.476
  706    HG1  THR  93           HG1      THR  93  -4.507  10.984  10.984
  707   1HG2  THR  93          HG22      THR  93  -6.814   9.901   9.901
  708   2HG2  THR  93          HG21      THR  93  -6.806  10.357  10.357
  709   3HG2  THR  93          HG23      THR  93  -7.653  11.360  11.360
  710    H    ALA  94           HN       ALA  94  -3.610  12.668  12.668
  711    HA   ALA  94           HA       ALA  94  -5.427  12.755  12.755
  712   1HB   ALA  94           HB1      ALA  94  -3.370  14.241  14.241
  713   2HB   ALA  94           HB3      ALA  94  -2.542  13.398  13.398
  714   3HB   ALA  94           HB2      ALA  94  -3.967  14.378  14.378
  715    H    SER  95           HN       SER  95  -2.650  10.694  10.694
  716    HA   SER  95           HA       SER  95  -3.408   8.828   8.828
  717   1HB   SER  95           HB2      SER  95  -1.445  11.002  11.002
  718   2HB   SER  95           HB1      SER  95  -0.967   9.399   9.399
  719    HG   SER  95           HG       SER  95  -2.300  10.826  10.826
  720    HA   PRO  96           HA       PRO  96  -0.763   7.164   7.164
  721   1HB   PRO  96           HB1      PRO  96  -2.215   4.871   4.871
  722   2HB   PRO  96           HB2      PRO  96  -2.616   6.404   6.404
  723   1HG   PRO  96           HG2      PRO  96  -3.833   5.130   5.130
  724   2HG   PRO  96           HG1      PRO  96  -4.606   6.037   6.037
  725   1HD   PRO  96           HD2      PRO  96  -4.072   7.088   7.088
  726   2HD   PRO  96           HD1      PRO  96  -4.200   8.055   8.055
  727    H    LYS  97           HN       LYS  97   0.545   5.129   5.129
  728    HA   LYS  97           HA       LYS  97   0.906   4.089   4.089
  729   1HB   LYS  97           HB1      LYS  97   2.889   5.115   5.115
  730   2HB   LYS  97           HB2      LYS  97   2.635   4.706   4.706
  731   1HG   LYS  97           HG2      LYS  97   3.430   2.526   2.526
  732   2HG   LYS  97           HG1      LYS  97   3.160   2.540   2.540
  733   1HD   LYS  97           HD2      LYS  97   4.949   4.673   4.673
  734   2HD   LYS  97           HD1      LYS  97   5.544   3.254   3.254
  735   1HE   LYS  97           HE2      LYS  97   5.126   1.991   1.991
  736   2HE   LYS  97           HE1      LYS  97   5.126   3.615   3.615
  737   1HZ   LYS  97           HZ1      LYS  97   7.217   2.801   2.801
  738   2HZ   LYS  97           HZ3      LYS  97   7.370   2.427   2.427
  739   3HZ   LYS  97           HZ2      LYS  97   7.259   4.048   4.048
  740    H    GLU  98           HN       GLU  98   1.471   1.729   1.729
  741    HA   GLU  98           HA       GLU  98  -0.119   0.187   0.187
  742   1HB   GLU  98           HB2      GLU  98  -0.723   0.011   0.011
  743   2HB   GLU  98           HB1      GLU  98   0.933  -0.429  -0.429
  744   1HG   GLU  98           HG2      GLU  98   0.772  -2.528  -2.528
  745   2HG   GLU  98           HG1      GLU  98  -0.663  -2.048  -2.048
  746    H    TYR  99           HN       TYR  99   0.765  -2.027  -2.027
  747    HA   TYR  99           HA       TYR  99   3.742  -1.930  -1.930
  748   1HB   TYR  99           HB2      TYR  99   2.604  -1.715  -1.715
  749   2HB   TYR  99           HB1      TYR  99   1.431  -2.957  -2.957
  750    HD1  TYR  99           HD2      TYR  99   5.189  -2.799  -2.799
  751    HD2  TYR  99           HD1      TYR  99   1.689  -4.840  -4.840
  752    HE1  TYR  99           HE2      TYR  99   6.624  -4.533  -4.533
  753    HE2  TYR  99           HE1      TYR  99   3.124  -6.572  -6.572
  754    HH   TYR  99           HH       TYR  99   5.256  -7.445  -7.445
  755    H    THR 100           HN       THR 100   4.665  -3.364  -3.364
  756    HA   THR 100           HA       THR 100   3.205  -5.595  -5.595
  757    HB   THR 100           HB       THR 100   5.430  -6.017  -6.017
  758    HG1  THR 100           HG1      THR 100   7.148  -4.731  -4.731
  759   1HG2  THR 100          HG21      THR 100   4.272  -3.245  -3.245
  760   2HG2  THR 100          HG23      THR 100   5.711  -3.565  -3.565
  761   3HG2  THR 100          HG22      THR 100   4.210  -4.427  -4.427
  762    H    ALA 101           HN       ALA 101   5.032  -7.674  -7.674
  763    HA   ALA 101           HA       ALA 101   5.615  -9.570  -9.570
  764   1HB   ALA 101           HB3      ALA 101   6.956  -7.308  -7.308
  765   2HB   ALA 101           HB2      ALA 101   6.284  -7.945  -7.945
  766   3HB   ALA 101           HB1      ALA 101   7.330  -8.956  -8.956
  767    H    GLY 102           HN       GLY 102   5.462  -9.784  -9.784
  768   1HA   GLY 102           HA2      GLY 102   3.499  -9.256  -9.256
  769   2HA   GLY 102           HA1      GLY 102   2.491  -9.874  -9.874
  770    H    ARG 103           HN       ARG 103   5.422 -10.892 -10.892
  771    HA   ARG 103           HA       ARG 103   4.267 -13.662 -13.662
  772   1HB   ARG 103           HB1      ARG 103   6.474 -12.877 -12.877
  773   2HB   ARG 103           HB2      ARG 103   7.192 -13.134 -13.134
  774   1HG   ARG 103           HG2      ARG 103   5.456 -15.333 -15.333
  775   2HG   ARG 103           HG1      ARG 103   6.433 -15.098 -15.098
  776   1HD   ARG 103           HD2      ARG 103   8.113 -14.795 -14.795
  777   2HD   ARG 103           HD1      ARG 103   7.249 -16.343 -16.343
  778    HE   ARG 103           HE       ARG 103   9.081 -15.506 -15.506
  779   1HH1  ARG 103          HH21      ARG 103   8.218 -18.047 -18.047
  780   2HH1  ARG 103          HH22      ARG 103   8.083 -19.223 -19.223
  781   1HH2  ARG 103          HH11      ARG 103   8.320 -16.893 -16.893
  782   2HH2  ARG 103          HH12      ARG 103   8.140 -18.570 -18.570
  783    H    GLU 104           HN       GLU 104   6.020 -11.152 -11.152
  784    HA   GLU 104           HA       GLU 104   4.974 -11.947 -11.947
  785   1HB   GLU 104           HB1      GLU 104   7.211 -12.759 -12.759
  786   2HB   GLU 104           HB2      GLU 104   6.416 -13.853 -13.853
  787   1HG   GLU 104           HG1      GLU 104   7.940 -13.421 -13.421
  788   2HG   GLU 104           HG2      GLU 104   8.333 -11.818 -11.818
  789    H    ALA 105           HN       ALA 105   6.436 -10.895 -10.895
  790    HA   ALA 105           HA       ALA 105   6.473  -8.117  -8.117
  791   1HB   ALA 105           HB2      ALA 105   6.830  -9.749  -9.749
  792   2HB   ALA 105           HB1      ALA 105   8.542  -9.609  -9.609
  793   3HB   ALA 105           HB3      ALA 105   7.623  -8.174  -8.174
  794    H    ASP 106           HN       ASP 106   9.020 -10.401 -10.401
  795    HA   ASP 106           HA       ASP 106  11.109  -8.472  -8.472
  796   1HB   ASP 106           HB1      ASP 106  10.701 -11.071 -11.071
  797   2HB   ASP 106           HB2      ASP 106  11.197 -11.022 -11.022
  798    H    ASP 107           HN       ASP 107   8.635  -9.788  -9.788
  799    HA   ASP 107           HA       ASP 107   9.604  -8.607  -8.607
  800   1HB   ASP 107           HB2      ASP 107   7.048  -9.715  -9.715
  801   2HB   ASP 107           HB1      ASP 107   6.958  -8.776  -8.776
  802    H    ILE 108           HN       ILE 108   7.720  -7.291  -7.291
  803    HA   ILE 108           HA       ILE 108   6.838  -4.907  -4.907
  804    HB   ILE 108           HB       ILE 108   7.023  -5.608  -5.608
  805   1HG1  ILE 108          HG12      ILE 108   4.713  -5.805  -5.805
  806   2HG1  ILE 108          HG11      ILE 108   5.649  -7.174  -7.174
  807   1HG2  ILE 108          HG21      ILE 108   6.713  -3.121  -3.121
  808   2HG2  ILE 108          HG23      ILE 108   5.064  -3.663  -3.663
  809   3HG2  ILE 108          HG22      ILE 108   5.724  -3.737  -3.737
  810   1HD1  ILE 108          HD13      ILE 108   4.991  -6.530  -6.530
  811   2HD1  ILE 108          HD12      ILE 108   3.951  -5.280  -5.280
  812   3HD1  ILE 108          HD11      ILE 108   3.616  -6.980  -6.980
  813    H    VAL 109           HN       VAL 109   9.363  -5.566  -5.566
  814    HA   VAL 109           HA       VAL 109  10.366  -2.896  -2.896
  815    HB   VAL 109           HB       VAL 109  11.737  -5.584  -5.584
  816   1HG1  VAL 109          HG22      VAL 109  12.901  -3.081  -3.081
  817   2HG1  VAL 109          HG21      VAL 109  12.548  -3.316  -3.316
  818   3HG1  VAL 109          HG23      VAL 109  13.544  -4.487  -4.487
  819   1HG2  VAL 109          HG11      VAL 109  10.035  -3.856  -3.856
  820   2HG2  VAL 109          HG13      VAL 109   9.860  -5.576  -5.576
  821   3HG2  VAL 109          HG12      VAL 109  11.186  -5.014  -5.014
  822    H    ASN 110           HN       ASN 110  11.251  -5.611  -5.611
  823    HA   ASN 110           HA       ASN 110  13.505  -4.400  -4.400
  824   1HB   ASN 110           HB1      ASN 110  11.475  -6.506  -6.506
  825   2HB   ASN 110           HB2      ASN 110  12.685  -6.029  -6.029
  826   1HD2  ASN 110          HD22      ASN 110  14.067  -8.825  -8.825
  827   2HD2  ASN 110          HD21      ASN 110  12.678  -8.662  -8.662
  828    H    TRP 111           HN       TRP 111  10.097  -4.514  -4.514
  829    HA   TRP 111           HA       TRP 111  10.377  -2.914  -2.914
  830   1HB   TRP 111           HB1      TRP 111   8.410  -4.293  -4.293
  831   2HB   TRP 111           HB2      TRP 111   8.051  -3.120  -3.120
  832    HD1  TRP 111           HD1      TRP 111   7.942  -3.609  -3.609
  833    HE1  TRP 111           HE1      TRP 111   6.582  -1.692  -1.692
  834    HE3  TRP 111           HE3      TRP 111   7.330  -0.599  -0.599
  835    HZ2  TRP 111           HZ2      TRP 111   5.390   0.787   0.787
  836    HZ3  TRP 111           HZ3      TRP 111   6.079   1.532   1.532
  837    HH2  TRP 111           HH2      TRP 111   5.110   2.228   2.228
  838    H    LEU 112           HN       LEU 112  10.106  -2.036  -2.036
  839    HA   LEU 112           HA       LEU 112   9.665   0.813   0.813
  840   1HB   LEU 112           HB2      LEU 112   9.972  -1.051  -1.051
  841   2HB   LEU 112           HB1      LEU 112  10.389   0.636   0.636
  842    HG   LEU 112           HG       LEU 112   7.818  -0.071  -0.071
  843   1HD1  LEU 112          HD13      LEU 112   8.465  -0.960  -0.960
  844   2HD1  LEU 112          HD12      LEU 112   7.480   0.482   0.482
  845   3HD1  LEU 112          HD11      LEU 112   6.853  -0.864  -0.864
  846   1HD2  LEU 112          HD22      LEU 112   8.861   2.299   2.299
  847   2HD2  LEU 112          HD21      LEU 112   7.159   2.101   2.101
  848   3HD2  LEU 112          HD23      LEU 112   8.371   2.190   2.190
  849    H    LYS 113           HN       LYS 113  12.392  -1.157  -1.157
  850    HA   LYS 113           HA       LYS 113  14.239   1.070   1.070
  851   1HB   LYS 113           HB2      LYS 113  14.340  -0.774  -0.774
  852   2HB   LYS 113           HB1      LYS 113  14.452  -1.943  -1.943
  853   1HG   LYS 113           HG2      LYS 113  16.470   0.135   0.135
  854   2HG   LYS 113           HG1      LYS 113  16.579  -0.777  -0.777
  855   1HD   LYS 113           HD2      LYS 113  16.067  -2.566  -2.566
  856   2HD   LYS 113           HD1      LYS 113  17.492  -1.584  -1.584
  857   1HE   LYS 113           HE2      LYS 113  18.258  -2.180  -2.180
  858   2HE   LYS 113           HE1      LYS 113  17.025  -3.455  -3.455
  859   1HZ   LYS 113           HZ2      LYS 113  19.042  -3.016  -3.016
  860   2HZ   LYS 113           HZ1      LYS 113  19.267  -4.121  -4.121
  861   3HZ   LYS 113           HZ3      LYS 113  17.991  -4.339  -4.339
  862    H    LYS 114           HN       LYS 114  12.925  -0.618  -0.618
  863    HA   LYS 114           HA       LYS 114  15.055  -1.442  -1.442
  864   1HB   LYS 114           HB2      LYS 114  12.565  -1.629  -1.629
  865   2HB   LYS 114           HB1      LYS 114  12.568   0.069   0.069
  866   1HG   LYS 114           HG2      LYS 114  14.364  -0.554  -0.554
  867   2HG   LYS 114           HG1      LYS 114  13.981  -2.239  -2.239
  868   1HD   LYS 114           HD2      LYS 114  12.043  -2.160  -2.160
  869   2HD   LYS 114           HD1      LYS 114  11.603  -0.590  -0.590
  870   1HE   LYS 114           HE2      LYS 114  12.898   0.589   0.589
  871   2HE   LYS 114           HE1      LYS 114  13.747  -0.888  -0.888
  872   1HZ   LYS 114           HZ3      LYS 114  11.613  -1.821  -1.821
  873   2HZ   LYS 114           HZ2      LYS 114  10.830  -0.372  -0.372
  874   3HZ   LYS 114           HZ1      LYS 114  11.957  -0.395  -0.395
  875    H    ARG 115           HN       ARG 115  14.060   1.816   1.816
  876    HA   ARG 115           HA       ARG 115  16.506   2.934   2.934
  877   1HB   ARG 115           HB2      ARG 115  14.828   2.505   2.505
  878   2HB   ARG 115           HB1      ARG 115  13.878   3.816   3.816
  879   1HG   ARG 115           HG2      ARG 115  15.164   5.224   5.224
  880   2HG   ARG 115           HG1      ARG 115  16.463   4.846   4.846
  881   1HD   ARG 115           HD2      ARG 115  16.718   2.707   2.707
  882   2HD   ARG 115           HD1      ARG 115  16.033   3.849   3.849
  883    HE   ARG 115           HE       ARG 115  17.999   5.270   5.270
  884   1HH1  ARG 115          HH21      ARG 115  18.965   2.272   2.272
  885   2HH1  ARG 115          HH22      ARG 115  20.027   2.550   2.550
  886   1HH2  ARG 115          HH11      ARG 115  18.856   5.757   5.757
  887   2HH2  ARG 115          HH12      ARG 115  19.965   4.522   4.522
  888    H    THR 116           HN       THR 116  15.474   3.021   3.021
  889    HA   THR 116           HA       THR 116  14.142   5.631   5.631
  890    HB   THR 116           HB       THR 116  15.045   3.354   3.354
  891    HG1  THR 116           HG1      THR 116  12.826   3.036   3.036
  892   1HG2  THR 116          HG23      THR 116  13.988   6.068   6.068
  893   2HG2  THR 116          HG22      THR 116  13.460   4.697   4.697
  894   3HG2  THR 116          HG21      THR 116  15.175   5.088   5.088
  895    H    GLY 117           HN       GLY 117  17.024   4.087   4.087
  896   1HA   GLY 117           HA1      GLY 117  18.750   6.332   6.332
  897   2HA   GLY 117           HA2      GLY 117  18.225   6.363   6.363
  898    HA   PRO 118           HA       PRO 118  21.889   3.495   3.495
  899   1HB   PRO 118           HB2      PRO 118  23.591   4.821   4.821
  900   2HB   PRO 118           HB1      PRO 118  23.487   5.165   5.165
  901   1HG   PRO 118           HG2      PRO 118  22.299   6.634   6.634
  902   2HG   PRO 118           HG1      PRO 118  23.015   7.265   7.265
  903   1HD   PRO 118           HD2      PRO 118  20.326   7.090   7.090
  904   2HD   PRO 118           HD1      PRO 118  21.074   7.030   7.030
  905    H    ALA 119           HN       ALA 119  21.624   1.738   1.738
  906    HA   ALA 119           HA       ALA 119  20.882   2.231   2.231
  907   1HB   ALA 119           HB1      ALA 119  19.452   0.986   0.986
  908   2HB   ALA 119           HB3      ALA 119  20.324  -0.383  -0.383
  909   3HB   ALA 119           HB2      ALA 119  19.287   0.607   0.607
  910    H    ALA 120           HN       ALA 120  21.376  -0.093  -0.093
  911    HA   ALA 120           HA       ALA 120  24.135  -0.959  -0.959
  912   1HB   ALA 120           HB3      ALA 120  23.130  -0.028  -0.028
  913   2HB   ALA 120           HB2      ALA 120  24.719  -0.740  -0.740
  914   3HB   ALA 120           HB1      ALA 120  24.300   0.804   0.804

  Start of MODEL   34
    1   1H    ASP   1           HT3      ASP   1  -8.520  10.991  10.991
    2   2H    ASP   1           HT2      ASP   1  -8.676  12.002  12.002
    3   3H    ASP   1           HT1      ASP   1  -8.320  12.667  12.667
    4    HA   ASP   1           HA       ASP   1  -6.140  11.782  11.782
    5   1HB   ASP   1           HB2      ASP   1  -5.605  12.558  12.558
    6   2HB   ASP   1           HB1      ASP   1  -7.248  13.175  13.175
    7    H    ALA   2           HN       ALA   2  -4.527  10.829  10.829
    8    HA   ALA   2           HA       ALA   2  -3.834   8.816   8.816
    9   1HB   ALA   2           HB2      ALA   2  -6.179   9.840   9.840
   10   2HB   ALA   2           HB1      ALA   2  -6.444   8.101   8.101
   11   3HB   ALA   2           HB3      ALA   2  -5.036   8.712   8.712
   12    HA   PRO   3           HA       PRO   3  -5.687   6.198   6.198
   13   1HB   PRO   3           HB2      PRO   3  -3.324   5.293   5.293
   14   2HB   PRO   3           HB1      PRO   3  -4.067   6.824   6.824
   15   1HG   PRO   3           HG2      PRO   3  -1.758   6.324   6.324
   16   2HG   PRO   3           HG1      PRO   3  -2.093   7.700   7.700
   17   1HD   PRO   3           HD2      PRO   3  -2.441   7.634   7.634
   18   2HD   PRO   3           HD1      PRO   3  -3.105   8.851   8.851
   19    H    GLU   4           HN       GLU   4  -5.708   3.832   3.832
   20    HA   GLU   4           HA       GLU   4  -4.670   2.551   2.551
   21   1HB   GLU   4           HB2      GLU   4  -6.419   0.874   0.874
   22   2HB   GLU   4           HB1      GLU   4  -7.095   2.499   2.499
   23   1HG   GLU   4           HG1      GLU   4  -7.906   1.356   1.356
   24   2HG   GLU   4           HG2      GLU   4  -6.820   2.672   2.672
   25    H    GLU   5           HN       GLU   5  -2.788   3.016   3.016
   26    HA   GLU   5           HA       GLU   5  -2.324   1.040   1.040
   27   1HB   GLU   5           HB1      GLU   5   0.041   1.748   1.748
   28   2HB   GLU   5           HB2      GLU   5  -1.050   3.133   3.133
   29   1HG   GLU   5           HG1      GLU   5  -0.185   3.717   3.717
   30   2HG   GLU   5           HG2      GLU   5  -0.883   2.247   2.247
   31    H    GLU   6           HN       GLU   6  -1.635  -1.087  -1.087
   32    HA   GLU   6           HA       GLU   6  -0.737  -2.120  -2.120
   33   1HB   GLU   6           HB1      GLU   6  -2.997  -2.847  -2.847
   34   2HB   GLU   6           HB2      GLU   6  -2.092  -4.209  -4.209
   35   1HG   GLU   6           HG2      GLU   6  -2.366  -3.263  -3.263
   36   2HG   GLU   6           HG1      GLU   6  -3.322  -1.946  -1.946
   37    H    ASP   7           HN       ASP   7   0.640  -4.031  -4.031
   38    HA   ASP   7           HA       ASP   7   2.451  -5.222  -5.222
   39   1HB   ASP   7           HB2      ASP   7   0.136  -5.260  -5.260
   40   2HB   ASP   7           HB1      ASP   7   1.660  -5.591  -5.591
   41    H    HIS   8           HN       HIS   8   3.009  -2.513  -2.513
   42    HA   HIS   8           HA       HIS   8   4.370  -0.846  -0.846
   43   1HB   HIS   8           HB2      HIS   8   5.180  -3.399  -3.399
   44   2HB   HIS   8           HB1      HIS   8   6.057  -1.881  -1.881
   45    HD1  HIS   8           HD1      HIS   8   6.705  -0.740  -0.740
   46    HD2  HIS   8           HD2      HIS   8   6.164  -4.869  -4.869
   47    HE1  HIS   8           HE1      HIS   8   7.837  -1.701  -1.701
   48    H    VAL   9           HN       VAL   9   1.686  -1.650  -1.650
   49    HA   VAL   9           HA       VAL   9   2.224  -0.265  -0.265
   50    HB   VAL   9           HB       VAL   9   0.454  -2.661  -2.661
   51   1HG1  VAL   9          HG12      VAL   9   0.670  -0.825  -0.825
   52   2HG1  VAL   9          HG11      VAL   9   0.262  -2.524  -2.524
   53   3HG1  VAL   9          HG13      VAL   9  -0.774  -1.501  -1.501
   54   1HG2  VAL   9          HG21      VAL   9   3.169  -2.504  -2.504
   55   2HG2  VAL   9          HG23      VAL   9   2.145  -3.929  -3.929
   56   3HG2  VAL   9          HG22      VAL   9   2.392  -2.853  -2.853
   57    H    LEU  10           HN       LEU  10   0.599   1.243   1.243
   58    HA   LEU  10           HA       LEU  10  -1.376   1.863   1.863
   59   1HB   LEU  10           HB2      LEU  10  -1.365   4.101   4.101
   60   2HB   LEU  10           HB1      LEU  10   0.273   3.582   3.582
   61    HG   LEU  10           HG       LEU  10  -0.355   2.605   2.605
   62   1HD1  LEU  10          HD23      LEU  10  -0.983   5.528   5.528
   63   2HD1  LEU  10          HD22      LEU  10  -0.604   4.876   4.876
   64   3HD1  LEU  10          HD21      LEU  10  -2.033   4.313   4.313
   65   1HD2  LEU  10          HD13      LEU  10   1.870   3.259   3.259
   66   2HD2  LEU  10          HD12      LEU  10   1.650   3.760   3.760
   67   3HD2  LEU  10          HD11      LEU  10   1.442   4.928   4.928
   68    H    VAL  11           HN       VAL  11  -3.548   2.601   2.601
   69    HA   VAL  11           HA       VAL  11  -4.387   1.230   1.230
   70    HB   VAL  11           HB       VAL  11  -5.780   1.616   1.616
   71   1HG1  VAL  11          HG13      VAL  11  -6.771   0.747   0.747
   72   2HG1  VAL  11          HG12      VAL  11  -7.421  -0.051  -0.051
   73   3HG1  VAL  11          HG11      VAL  11  -7.592   1.694   1.694
   74   1HG2  VAL  11          HG21      VAL  11  -4.021  -0.381  -0.381
   75   2HG2  VAL  11          HG23      VAL  11  -4.920  -0.396  -0.396
   76   3HG2  VAL  11          HG22      VAL  11  -5.635  -1.091  -1.091
   77    H    LEU  12           HN       LEU  12  -5.976   2.368   2.368
   78    HA   LEU  12           HA       LEU  12  -6.034   5.296   5.296
   79   1HB   LEU  12           HB2      LEU  12  -6.479   3.515   3.515
   80   2HB   LEU  12           HB1      LEU  12  -6.921   5.220   5.220
   81    HG   LEU  12           HG       LEU  12  -4.683   4.984   4.984
   82   1HD1  LEU  12          HD11      LEU  12  -5.328   6.638   6.638
   83   2HD1  LEU  12          HD13      LEU  12  -3.763   5.953   5.953
   84   3HD1  LEU  12          HD12      LEU  12  -3.950   6.829   6.829
   85   1HD2  LEU  12          HD22      LEU  12  -4.384   2.798   2.798
   86   2HD2  LEU  12          HD21      LEU  12  -2.990   3.730   3.730
   87   3HD2  LEU  12          HD23      LEU  12  -3.600   3.939   3.939
   88    H    ARG  13           HN       ARG  13  -8.100   6.446   6.446
   89    HA   ARG  13           HA       ARG  13 -10.547   4.764   4.764
   90   1HB   ARG  13           HB2      ARG  13  -9.488   6.811   6.811
   91   2HB   ARG  13           HB1      ARG  13 -11.184   6.329   6.329
   92   1HG   ARG  13           HG2      ARG  13  -9.960   3.890   3.890
   93   2HG   ARG  13           HG1      ARG  13  -8.804   4.821   4.821
   94   1HD   ARG  13           HD1      ARG  13 -11.774   4.863   4.863
   95   2HD   ARG  13           HD2      ARG  13 -10.669   3.693   3.693
   96    HE   ARG  13           HE       ARG  13  -9.637   6.405   6.405
   97   1HH1  ARG  13          HH11      ARG  13 -12.615   5.634   5.634
   98   2HH1  ARG  13          HH12      ARG  13 -12.266   5.693   5.693
   99   1HH2  ARG  13          HH21      ARG  13  -8.829   5.835   5.835
  100   2HH2  ARG  13          HH22      ARG  13 -10.123   5.807   5.807
  101    H    LYS  14           HN       LYS  14 -12.513   6.424   6.424
  102    HA   LYS  14           HA       LYS  14 -12.725   7.802   7.802
  103   1HB   LYS  14           HB1      LYS  14 -14.067   8.066   8.066
  104   2HB   LYS  14           HB2      LYS  14 -14.602   9.004   9.004
  105   1HG   LYS  14           HG1      LYS  14 -15.800   7.224   7.224
  106   2HG   LYS  14           HG2      LYS  14 -14.292   6.334   6.334
  107   1HD   LYS  14           HD2      LYS  14 -14.392   5.432   5.432
  108   2HD   LYS  14           HD1      LYS  14 -15.627   6.587   6.587
  109   1HE   LYS  14           HE2      LYS  14 -17.141   5.520   5.520
  110   2HE   LYS  14           HE1      LYS  14 -15.939   4.216   4.216
  111   1HZ   LYS  14           HZ3      LYS  14 -17.257   5.193   5.193
  112   2HZ   LYS  14           HZ2      LYS  14 -17.644   3.749   3.749
  113   3HZ   LYS  14           HZ1      LYS  14 -16.116   3.940   3.940
  114    H    SER  15           HN       SER  15 -11.603   9.031   9.031
  115    HA   SER  15           HA       SER  15 -10.983  11.651  11.651
  116   1HB   SER  15           HB2      SER  15 -11.838  10.763  10.763
  117   2HB   SER  15           HB1      SER  15 -10.956  12.278  12.278
  118    HG   SER  15           HG       SER  15 -13.472  11.544  11.544
  119    H    ASN  16           HN       ASN  16  -9.403   8.876   8.876
  120    HA   ASN  16           HA       ASN  16  -6.978  10.303  10.303
  121   1HB   ASN  16           HB2      ASN  16  -8.048   8.531   8.531
  122   2HB   ASN  16           HB1      ASN  16  -7.710   7.365   7.365
  123   1HD2  ASN  16          HD22      ASN  16  -4.683   6.824   6.824
  124   2HD2  ASN  16          HD21      ASN  16  -6.223   6.197   6.197
  125    H    PHE  17           HN       PHE  17  -8.238   9.101   9.101
  126    HA   PHE  17           HA       PHE  17  -6.082   7.552   7.552
  127   1HB   PHE  17           HB1      PHE  17  -8.325   7.630   7.630
  128   2HB   PHE  17           HB2      PHE  17  -8.165   9.354   9.354
  129    HD1  PHE  17           HD1      PHE  17  -5.456   6.872   6.872
  130    HD2  PHE  17           HD2      PHE  17  -8.410   9.288   9.288
  131    HE1  PHE  17           HE1      PHE  17  -4.406   6.370   6.370
  132    HE2  PHE  17           HE2      PHE  17  -7.360   8.783   8.783
  133    HZ   PHE  17           HZ       PHE  17  -5.403   7.345   7.345
  134    H    ALA  18           HN       ALA  18  -6.930  10.880  10.880
  135    HA   ALA  18           HA       ALA  18  -4.424  11.511  11.511
  136   1HB   ALA  18           HB3      ALA  18  -6.646  13.126  13.126
  137   2HB   ALA  18           HB2      ALA  18  -5.271  13.899  13.899
  138   3HB   ALA  18           HB1      ALA  18  -6.346  12.853  12.853
  139    H    GLU  19           HN       GLU  19  -5.349  11.311  11.311
  140    HA   GLU  19           HA       GLU  19  -3.468  13.117  13.117
  141   1HB   GLU  19           HB1      GLU  19  -5.471  12.004  12.004
  142   2HB   GLU  19           HB2      GLU  19  -4.561  10.496  10.496
  143   1HG   GLU  19           HG2      GLU  19  -3.922  11.212  11.212
  144   2HG   GLU  19           HG1      GLU  19  -2.762  12.178  12.178
  145    H    ALA  20           HN       ALA  20  -3.276   9.542   9.542
  146    HA   ALA  20           HA       ALA  20  -0.614   9.244   9.244
  147   1HB   ALA  20           HB2      ALA  20  -2.675   7.668   7.668
  148   2HB   ALA  20           HB1      ALA  20  -1.467   7.471   7.471
  149   3HB   ALA  20           HB3      ALA  20  -1.065   7.073   7.073
  150    H    LEU  21           HN       LEU  21  -1.849  10.128  10.128
  151    HA   LEU  21           HA       LEU  21   0.728   9.885   9.885
  152   1HB   LEU  21           HB2      LEU  21  -1.860  11.291  11.291
  153   2HB   LEU  21           HB1      LEU  21  -0.550  10.931  10.931
  154    HG   LEU  21           HG       LEU  21  -2.159   8.889   8.889
  155   1HD1  LEU  21          HD12      LEU  21  -2.363  10.066  10.066
  156   2HD1  LEU  21          HD11      LEU  21  -2.514   8.311   8.311
  157   3HD1  LEU  21          HD13      LEU  21  -3.612   9.337   9.337
  158   1HD2  LEU  21          HD23      LEU  21   0.223   8.693   8.693
  159   2HD2  LEU  21          HD22      LEU  21  -0.019   7.940   7.940
  160   3HD2  LEU  21          HD21      LEU  21  -0.900   7.344   7.344
  161    H    ALA  22           HN       ALA  22  -1.255  12.596  12.596
  162    HA   ALA  22           HA       ALA  22   0.497  14.705  14.705
  163   1HB   ALA  22           HB1      ALA  22  -1.547  14.394  14.394
  164   2HB   ALA  22           HB3      ALA  22  -0.799  15.937  15.937
  165   3HB   ALA  22           HB2      ALA  22  -1.801  15.100  15.100
  166    H    ALA  23           HN       ALA  23   0.789  12.372  12.372
  167    HA   ALA  23           HA       ALA  23   2.489  14.012  14.012
  168   1HB   ALA  23           HB2      ALA  23   1.857  11.046  11.046
  169   2HB   ALA  23           HB1      ALA  23   2.732  11.817  11.817
  170   3HB   ALA  23           HB3      ALA  23   1.049  12.239  12.239
  171    H    HIS  24           HN       HIS  24   3.237  10.876  10.876
  172    HA   HIS  24           HA       HIS  24   6.074  11.725  11.725
  173   1HB   HIS  24           HB1      HIS  24   4.496   9.240   9.240
  174   2HB   HIS  24           HB2      HIS  24   5.873   9.128   9.128
  175    HD1  HIS  24           HD1      HIS  24   6.176  11.502  11.502
  176    HD2  HIS  24           HD2      HIS  24   7.242   7.555   7.555
  177    HE1  HIS  24           HE1      HIS  24   7.816  10.816  10.816
  178    H    LYS  25           HN       LYS  25   6.859  10.189  10.189
  179    HA   LYS  25           HA       LYS  25   5.478  11.576  11.576
  180   1HB   LYS  25           HB1      LYS  25   8.292  10.833  10.833
  181   2HB   LYS  25           HB2      LYS  25   7.855  10.880  10.880
  182   1HG   LYS  25           HG2      LYS  25   7.289  13.170  13.170
  183   2HG   LYS  25           HG1      LYS  25   7.151  13.160  13.160
  184   1HD   LYS  25           HD2      LYS  25   9.231  14.245  14.245
  185   2HD   LYS  25           HD1      LYS  25   9.640  12.632  12.632
  186   1HE   LYS  25           HE2      LYS  25  10.459  11.972  11.972
  187   2HE   LYS  25           HE1      LYS  25   9.181  12.822  12.822
  188   1HZ   LYS  25           HZ2      LYS  25  11.242  14.312  14.312
  189   2HZ   LYS  25           HZ1      LYS  25  11.537  13.792  13.792
  190   3HZ   LYS  25           HZ3      LYS  25  10.254  14.854  14.854
  191    H    TYR  26           HN       TYR  26   7.393   8.588   8.588
  192    HA   TYR  26           HA       TYR  26   5.940   7.214   7.214
  193   1HB   TYR  26           HB2      TYR  26   8.057   6.225   6.225
  194   2HB   TYR  26           HB1      TYR  26   7.598   5.469   5.469
  195    HD1  TYR  26           HD2      TYR  26   7.317   7.983   7.983
  196    HD2  TYR  26           HD1      TYR  26  10.346   6.733   6.733
  197    HE1  TYR  26           HE2      TYR  26   8.987   9.377   9.377
  198    HE2  TYR  26           HE1      TYR  26  12.014   8.126   8.126
  199    HH   TYR  26           HH       TYR  26  11.090  10.392  10.392
  200    H    LEU  27           HN       LEU  27   3.828   6.852   6.852
  201    HA   LEU  27           HA       LEU  27   3.607   5.320   5.320
  202   1HB   LEU  27           HB1      LEU  27   1.947   7.371   7.371
  203   2HB   LEU  27           HB2      LEU  27   1.158   6.255   6.255
  204    HG   LEU  27           HG       LEU  27   1.816   8.321   8.321
  205   1HD1  LEU  27          HD13      LEU  27   2.098   5.882   5.882
  206   2HD1  LEU  27          HD12      LEU  27   3.813   6.292   6.292
  207   3HD1  LEU  27          HD11      LEU  27   2.693   7.276   7.276
  208   1HD2  LEU  27          HD21      LEU  27   3.883   8.455   8.455
  209   2HD2  LEU  27          HD23      LEU  27   3.927   9.240   9.240
  210   3HD2  LEU  27          HD22      LEU  27   4.710   7.677   7.677
  211    H    LEU  28           HN       LEU  28   2.848   3.254   3.254
  212    HA   LEU  28           HA       LEU  28   1.786   2.350   2.350
  213   1HB   LEU  28           HB1      LEU  28   3.730   1.386   1.386
  214   2HB   LEU  28           HB2      LEU  28   2.338   0.382   0.382
  215    HG   LEU  28           HG       LEU  28   3.670  -0.627  -0.627
  216   1HD1  LEU  28          HD22      LEU  28   0.975  -0.436  -0.436
  217   2HD1  LEU  28          HD21      LEU  28   1.241   0.301   0.301
  218   3HD1  LEU  28          HD23      LEU  28   1.806  -1.340  -1.340
  219   1HD2  LEU  28          HD11      LEU  28   3.774   2.074   2.074
  220   2HD2  LEU  28          HD13      LEU  28   4.540   0.664   0.664
  221   3HD2  LEU  28          HD12      LEU  28   2.921   1.150   1.150
  222    H    VAL  29           HN       VAL  29  -0.243   1.277   1.277
  223    HA   VAL  29           HA       VAL  29  -1.819   1.053   1.053
  224    HB   VAL  29           HB       VAL  29  -2.703   2.557   2.557
  225   1HG1  VAL  29          HG23      VAL  29  -3.981   1.878   1.878
  226   2HG1  VAL  29          HG22      VAL  29  -4.464   3.334   3.334
  227   3HG1  VAL  29          HG21      VAL  29  -4.658   1.752   1.752
  228   1HG2  VAL  29          HG11      VAL  29  -1.752   3.536   3.536
  229   2HG2  VAL  29          HG13      VAL  29  -0.984   3.833   3.833
  230   3HG2  VAL  29          HG12      VAL  29  -2.550   4.558   4.558
  231    H    GLU  30           HN       GLU  30  -2.753  -0.954  -0.954
  232    HA   GLU  30           HA       GLU  30  -3.253  -2.217  -2.217
  233   1HB   GLU  30           HB1      GLU  30  -1.623  -3.165  -3.165
  234   2HB   GLU  30           HB2      GLU  30  -3.070  -3.599  -3.599
  235   1HG   GLU  30           HG2      GLU  30  -3.898  -4.758  -4.758
  236   2HG   GLU  30           HG1      GLU  30  -2.276  -4.532  -4.532
  237    H    PHE  31           HN       PHE  31  -5.329  -2.866  -2.866
  238    HA   PHE  31           HA       PHE  31  -7.459  -2.315  -2.315
  239   1HB   PHE  31           HB1      PHE  31  -7.253  -2.301  -2.301
  240   2HB   PHE  31           HB2      PHE  31  -8.825  -2.350  -2.350
  241    HD1  PHE  31           HD2      PHE  31  -5.654  -0.409  -0.409
  242    HD2  PHE  31           HD1      PHE  31  -9.774  -0.398  -0.398
  243    HE1  PHE  31           HE2      PHE  31  -5.534   2.037   2.037
  244    HE2  PHE  31           HE1      PHE  31  -9.654   2.049   2.049
  245    HZ   PHE  31           HZ       PHE  31  -7.537   3.270   3.270
  246    H    TYR  32           HN       TYR  32  -8.067  -4.239  -4.239
  247    HA   TYR  32           HA       TYR  32  -8.675  -6.555  -6.555
  248   1HB   TYR  32           HB2      TYR  32  -7.401  -8.046  -8.046
  249   2HB   TYR  32           HB1      TYR  32  -6.352  -6.722  -6.722
  250    HD1  TYR  32           HD1      TYR  32  -8.521  -7.924  -7.924
  251    HD2  TYR  32           HD2      TYR  32  -5.370  -5.267  -5.267
  252    HE1  TYR  32           HE1      TYR  32  -8.106  -7.339  -7.339
  253    HE2  TYR  32           HE2      TYR  32  -4.952  -4.683  -4.683
  254    HH   TYR  32           HH       TYR  32  -5.871  -4.772  -4.772
  255    H    ALA  33           HN       ALA  33  -9.909  -8.299  -8.299
  256    HA   ALA  33           HA       ALA  33 -11.600  -6.946  -6.946
  257   1HB   ALA  33           HB1      ALA  33 -12.476  -7.373  -7.373
  258   2HB   ALA  33           HB3      ALA  33 -12.620  -9.045  -9.045
  259   3HB   ALA  33           HB2      ALA  33 -13.518  -7.773  -7.773
  260    HA   PRO  34           HA       PRO  34 -10.739 -10.466 -10.466
  261   1HB   PRO  34           HB2      PRO  34 -13.085 -10.721 -10.721
  262   2HB   PRO  34           HB1      PRO  34 -11.897  -9.446  -9.446
  263   1HG   PRO  34           HG2      PRO  34 -14.434  -9.326  -9.326
  264   2HG   PRO  34           HG1      PRO  34 -13.751  -8.142  -8.142
  265   1HD   PRO  34           HD1      PRO  34 -13.579  -7.875  -7.875
  266   2HD   PRO  34           HD2      PRO  34 -12.348  -7.245  -7.245
  267    H    TRP  35           HN       TRP  35 -13.443 -10.412 -10.412
  268    HA   TRP  35           HA       TRP  35 -13.765 -13.372 -13.372
  269   1HB   TRP  35           HB1      TRP  35 -15.885 -12.938 -12.938
  270   2HB   TRP  35           HB2      TRP  35 -15.741 -11.878 -11.878
  271    HD1  TRP  35           HD1      TRP  35 -15.563  -9.310  -9.310
  272    HE1  TRP  35           HE1      TRP  35 -15.780  -7.825  -7.825
  273    HE3  TRP  35           HE3      TRP  35 -15.400 -12.890 -12.890
  274    HZ2  TRP  35           HZ2      TRP  35 -15.873  -8.118  -8.118
  275    HZ3  TRP  35           HZ3      TRP  35 -15.556 -12.261 -12.261
  276    HH2  TRP  35           HH2      TRP  35 -15.791  -9.882  -9.882
  277    H    CYS  36           HN       CYS  36 -11.992 -11.147 -11.147
  278    HA   CYS  36           HA       CYS  36 -12.309 -11.748 -11.748
  279   1HB   CYS  36           HB1      CYS  36 -10.749 -10.110 -10.110
  280   2HB   CYS  36           HB2      CYS  36  -9.827 -11.362 -11.362
  281    H    GLY  37           HN       GLY  37  -9.538 -13.287 -13.287
  282   1HA   GLY  37           HA2      GLY  37 -10.144 -15.951 -15.951
  283   2HA   GLY  37           HA1      GLY  37  -9.919 -15.670 -15.670
  284    H    HIS  38           HN       HIS  38  -7.921 -16.292 -16.292
  285    HA   HIS  38           HA       HIS  38  -5.681 -16.289 -16.289
  286   1HB   HIS  38           HB2      HIS  38  -6.472 -17.548 -17.548
  287   2HB   HIS  38           HB1      HIS  38  -4.756 -17.156 -17.156
  288    HD1  HIS  38           HD1      HIS  38  -6.943 -19.832 -19.832
  289    HD2  HIS  38           HD2      HIS  38  -3.756 -18.074 -18.074
  290    HE1  HIS  38           HE1      HIS  38  -6.159 -21.529 -21.529
  291    H    CYS  39           HN       CYS  39  -6.902 -13.782 -13.782
  292    HA   CYS  39           HA       CYS  39  -4.708 -12.787 -12.787
  293   1HB   CYS  39           HB2      CYS  39  -6.112 -10.753 -10.753
  294   2HB   CYS  39           HB1      CYS  39  -7.097 -12.178 -12.178
  295    H    LYS  40           HN       LYS  40  -5.709 -12.627 -12.627
  296    HA   LYS  40           HA       LYS  40  -3.617 -10.617 -10.617
  297   1HB   LYS  40           HB2      LYS  40  -4.771 -10.452 -10.452
  298   2HB   LYS  40           HB1      LYS  40  -5.959 -10.389 -10.389
  299   1HG   LYS  40           HG2      LYS  40  -6.947 -11.937 -11.937
  300   2HG   LYS  40           HG1      LYS  40  -6.041 -13.009 -13.009
  301   1HD   LYS  40           HD2      LYS  40  -4.484 -13.522 -13.522
  302   2HD   LYS  40           HD1      LYS  40  -4.609 -11.944 -11.944
  303   1HE   LYS  40           HE2      LYS  40  -5.848 -13.021 -13.021
  304   2HE   LYS  40           HE1      LYS  40  -7.145 -13.029 -13.029
  305   1HZ   LYS  40           HZ2      LYS  40  -6.193 -15.083 -15.083
  306   2HZ   LYS  40           HZ1      LYS  40  -5.041 -15.102 -15.102
  307   3HZ   LYS  40           HZ3      LYS  40  -6.688 -15.281 -15.281
  308    H    ALA  41           HN       ALA  41  -3.320 -13.695 -13.695
  309    HA   ALA  41           HA       ALA  41  -2.456 -15.070 -15.070
  310   1HB   ALA  41           HB1      ALA  41  -1.606 -15.080 -15.080
  311   2HB   ALA  41           HB3      ALA  41  -0.956 -16.235 -16.235
  312   3HB   ALA  41           HB2      ALA  41  -2.685 -16.210 -16.210
  313    H    LEU  42           HN       LEU  42  -0.945 -12.458 -12.458
  314    HA   LEU  42           HA       LEU  42   1.662 -12.871 -12.871
  315   1HB   LEU  42           HB2      LEU  42   2.478 -11.400 -11.400
  316   2HB   LEU  42           HB1      LEU  42   1.114 -12.117 -12.117
  317    HG   LEU  42           HG       LEU  42   0.952  -9.485  -9.485
  318   1HD1  LEU  42          HD11      LEU  42   2.542  -9.409  -9.409
  319   2HD1  LEU  42          HD13      LEU  42   1.233  -9.951  -9.951
  320   3HD1  LEU  42          HD12      LEU  42   1.120  -8.392  -8.392
  321   1HD2  LEU  42          HD22      LEU  42  -0.882 -10.978 -10.978
  322   2HD2  LEU  42          HD21      LEU  42  -1.223 -10.443 -10.443
  323   3HD2  LEU  42          HD23      LEU  42  -1.078  -9.260  -9.260
  324    H    ALA  43           HN       ALA  43  -1.009 -11.955 -11.955
  325    HA   ALA  43           HA       ALA  43  -0.955  -9.316  -9.316
  326   1HB   ALA  43           HB2      ALA  43  -2.121 -11.806 -11.806
  327   2HB   ALA  43           HB1      ALA  43  -1.475 -11.120 -11.120
  328   3HB   ALA  43           HB3      ALA  43  -2.630 -10.202 -10.202
  329    HA   PRO  44           HA       PRO  44   2.177 -10.439 -10.439
  330   1HB   PRO  44           HB2      PRO  44   3.437 -12.862 -12.862
  331   2HB   PRO  44           HB1      PRO  44   1.904 -12.600 -12.600
  332   1HG   PRO  44           HG2      PRO  44   2.426 -13.860 -13.860
  333   2HG   PRO  44           HG1      PRO  44   1.197 -14.245 -14.245
  334   1HD   PRO  44           HD1      PRO  44   0.739 -12.820 -12.820
  335   2HD   PRO  44           HD2      PRO  44  -0.292 -12.768 -12.768
  336    H    GLU  45           HN       GLU  45   2.697 -11.255 -11.255
  337    HA   GLU  45           HA       GLU  45   5.610 -11.018 -11.018
  338   1HB   GLU  45           HB2      GLU  45   3.414 -10.974 -10.974
  339   2HB   GLU  45           HB1      GLU  45   5.113 -10.817 -10.817
  340   1HG   GLU  45           HG1      GLU  45   5.363 -13.048 -13.048
  341   2HG   GLU  45           HG2      GLU  45   4.840 -13.026 -13.026
  342    H    TYR  46           HN       TYR  46   2.803  -9.014  -9.014
  343    HA   TYR  46           HA       TYR  46   4.007  -6.607  -6.607
  344   1HB   TYR  46           HB1      TYR  46   1.505  -7.631  -7.631
  345   2HB   TYR  46           HB2      TYR  46   1.741  -6.369  -6.369
  346    HD1  TYR  46           HD2      TYR  46   1.542  -7.113  -7.113
  347    HD2  TYR  46           HD1      TYR  46   1.895  -4.079  -4.079
  348    HE1  TYR  46           HE2      TYR  46   1.042  -5.372  -5.372
  349    HE2  TYR  46           HE1      TYR  46   1.397  -2.323  -2.323
  350    HH   TYR  46           HH       TYR  46   1.671  -2.692  -2.692
  351    H    ALA  47           HN       ALA  47   2.742  -7.229  -7.229
  352    HA   ALA  47           HA       ALA  47   3.962  -5.122  -5.122
  353   1HB   ALA  47           HB1      ALA  47   3.333  -7.961  -7.961
  354   2HB   ALA  47           HB3      ALA  47   3.655  -6.636  -6.636
  355   3HB   ALA  47           HB2      ALA  47   2.242  -6.578  -6.578
  356    H    LYS  48           HN       LYS  48   5.457  -8.060  -8.060
  357    HA   LYS  48           HA       LYS  48   7.773  -8.001  -8.001
  358   1HB   LYS  48           HB2      LYS  48   6.638  -9.749  -9.749
  359   2HB   LYS  48           HB1      LYS  48   7.951  -9.115  -9.115
  360   1HG   LYS  48           HG2      LYS  48   9.170 -10.732 -10.732
  361   2HG   LYS  48           HG1      LYS  48   9.265  -9.527  -9.527
  362   1HD   LYS  48           HD2      LYS  48   8.454 -11.325 -11.325
  363   2HD   LYS  48           HD1      LYS  48   6.930 -10.600 -10.600
  364   1HE   LYS  48           HE2      LYS  48   6.592 -12.822 -12.822
  365   2HE   LYS  48           HE1      LYS  48   7.314 -12.166 -12.166
  366   1HZ   LYS  48           HZ1      LYS  48   9.497 -12.798 -12.798
  367   2HZ   LYS  48           HZ3      LYS  48   8.811 -13.435 -13.435
  368   3HZ   LYS  48           HZ2      LYS  48   8.485 -14.161 -14.161
  369    H    ALA  49           HN       ALA  49   6.973  -6.668  -6.668
  370    HA   ALA  49           HA       ALA  49   9.627  -5.577  -5.577
  371   1HB   ALA  49           HB3      ALA  49   6.898  -5.463  -5.463
  372   2HB   ALA  49           HB2      ALA  49   8.050  -4.206  -4.206
  373   3HB   ALA  49           HB1      ALA  49   8.433  -5.902  -5.902
  374    H    ALA  50           HN       ALA  50   6.606  -4.460  -4.460
  375    HA   ALA  50           HA       ALA  50   7.270  -1.670  -1.670
  376   1HB   ALA  50           HB2      ALA  50   5.205  -3.504  -3.504
  377   2HB   ALA  50           HB1      ALA  50   5.642  -2.573  -2.573
  378   3HB   ALA  50           HB3      ALA  50   5.126  -1.743  -1.743
  379    H    GLY  51           HN       GLY  51   8.399  -4.488  -4.488
  380   1HA   GLY  51           HA2      GLY  51   9.133  -3.185  -3.185
  381   2HA   GLY  51           HA1      GLY  51   9.754  -4.734  -4.734
  382    H    LYS  52           HN       LYS  52  10.502  -3.248  -3.248
  383    HA   LYS  52           HA       LYS  52  13.253  -2.862  -2.862
  384   1HB   LYS  52           HB2      LYS  52  13.256  -1.858  -1.858
  385   2HB   LYS  52           HB1      LYS  52  12.085  -3.175  -3.175
  386   1HG   LYS  52           HG1      LYS  52  10.338  -1.375  -1.375
  387   2HG   LYS  52           HG2      LYS  52  11.560  -0.211  -0.211
  388   1HD   LYS  52           HD2      LYS  52  11.668  -1.150  -1.150
  389   2HD   LYS  52           HD1      LYS  52  10.624  -2.491  -2.491
  390   1HE   LYS  52           HE2      LYS  52   8.845  -0.732  -0.732
  391   2HE   LYS  52           HE1      LYS  52   9.875   0.429   0.429
  392   1HZ   LYS  52           HZ3      LYS  52   9.958  -1.347  -1.347
  393   2HZ   LYS  52           HZ2      LYS  52   8.605  -2.030  -2.030
  394   3HZ   LYS  52           HZ1      LYS  52   8.525  -0.452  -0.452
  395    H    LEU  53           HN       LEU  53  10.563  -0.751  -0.751
  396    HA   LEU  53           HA       LEU  53  12.224   1.687   1.687
  397   1HB   LEU  53           HB2      LEU  53   9.405   1.310   1.310
  398   2HB   LEU  53           HB1      LEU  53  10.152   2.779   2.779
  399    HG   LEU  53           HG       LEU  53   9.340   0.341   0.341
  400   1HD1  LEU  53          HD22      LEU  53   7.757   2.355   2.355
  401   2HD1  LEU  53          HD21      LEU  53   8.429   3.108   3.108
  402   3HD1  LEU  53          HD23      LEU  53   7.552   1.583   1.583
  403   1HD2  LEU  53          HD11      LEU  53  11.508   1.428   1.428
  404   2HD2  LEU  53          HD13      LEU  53  10.222   1.464   1.464
  405   3HD2  LEU  53          HD12      LEU  53  10.593   2.911   2.911
  406    H    LYS  54           HN       LYS  54  10.656  -0.699  -0.699
  407    HA   LYS  54           HA       LYS  54  10.938   0.416   0.416
  408   1HB   LYS  54           HB2      LYS  54   9.893  -1.748  -1.748
  409   2HB   LYS  54           HB1      LYS  54  11.458  -2.418  -2.418
  410   1HG   LYS  54           HG2      LYS  54  11.370  -1.181  -1.181
  411   2HG   LYS  54           HG1      LYS  54  10.400  -2.642  -2.642
  412   1HD   LYS  54           HD2      LYS  54  12.639  -3.465  -3.465
  413   2HD   LYS  54           HD1      LYS  54  13.354  -2.301  -2.301
  414   1HE   LYS  54           HE2      LYS  54  13.107  -3.753  -3.753
  415   2HE   LYS  54           HE1      LYS  54  11.371  -3.906  -3.906
  416   1HZ   LYS  54           HZ3      LYS  54  13.462  -5.240  -5.240
  417   2HZ   LYS  54           HZ2      LYS  54  12.701  -5.997  -5.997
  418   3HZ   LYS  54           HZ1      LYS  54  11.789  -5.517  -5.517
  419    H    ALA  55           HN       ALA  55  13.403  -0.958  -0.958
  420    HA   ALA  55           HA       ALA  55  15.511  -0.385  -0.385
  421   1HB   ALA  55           HB1      ALA  55  15.069  -2.353  -2.353
  422   2HB   ALA  55           HB3      ALA  55  16.728  -1.785  -1.785
  423   3HB   ALA  55           HB2      ALA  55  15.898  -2.561  -2.561
  424    H    GLU  56           HN       GLU  56  14.055   1.483   1.483
  425    HA   GLU  56           HA       GLU  56  14.612   3.295   3.295
  426   1HB   GLU  56           HB1      GLU  56  17.053   2.680   2.680
  427   2HB   GLU  56           HB2      GLU  56  17.141   3.927   3.927
  428   1HG   GLU  56           HG2      GLU  56  15.075   4.962   4.962
  429   2HG   GLU  56           HG1      GLU  56  15.235   3.817   3.817
  430    H    GLY  57           HN       GLY  57  14.266   1.617   1.617
  431   1HA   GLY  57           HA2      GLY  57  16.820   0.956   0.956
  432   2HA   GLY  57           HA1      GLY  57  15.273   0.167   0.167
  433    H    SER  58           HN       SER  58  13.943   2.906   2.906
  434    HA   SER  58           HA       SER  58  14.980   4.581   4.581
  435   1HB   SER  58           HB2      SER  58  14.091   2.152   2.152
  436   2HB   SER  58           HB1      SER  58  12.643   3.145   3.145
  437    HG   SER  58           HG       SER  58  15.198   3.958   3.958
  438    H    GLU  59           HN       GLU  59  13.221   6.149   6.149
  439    HA   GLU  59           HA       GLU  59  11.470   6.809   6.809
  440   1HB   GLU  59           HB2      GLU  59  11.183   8.891   8.891
  441   2HB   GLU  59           HB1      GLU  59  12.888   8.467   8.467
  442   1HG   GLU  59           HG2      GLU  59  12.054   9.171   9.171
  443   2HG   GLU  59           HG1      GLU  59  12.922   7.637   7.637
  444    H    ILE  60           HN       ILE  60  11.151   5.026   5.026
  445    HA   ILE  60           HA       ILE  60   8.546   5.718   5.718
  446    HB   ILE  60           HB       ILE  60   9.880   2.995   2.995
  447   1HG1  ILE  60          HG11      ILE  60  10.122   4.520   4.520
  448   2HG1  ILE  60          HG12      ILE  60  10.897   5.337   5.337
  449   1HG2  ILE  60          HG22      ILE  60   7.613   4.194   4.194
  450   2HG2  ILE  60          HG21      ILE  60   8.613   2.955   2.955
  451   3HG2  ILE  60          HG23      ILE  60   7.740   2.594   2.594
  452   1HD1  ILE  60          HD11      ILE  60  11.658   2.709   2.709
  453   2HD1  ILE  60          HD13      ILE  60  11.669   2.861   2.861
  454   3HD1  ILE  60          HD12      ILE  60  12.648   3.949   3.949
  455    H    ARG  61           HN       ARG  61   6.591   4.189   4.189
  456    HA   ARG  61           HA       ARG  61   6.443   2.886   2.886
  457   1HB   ARG  61           HB2      ARG  61   5.381   5.532   5.532
  458   2HB   ARG  61           HB1      ARG  61   4.181   4.468   4.468
  459   1HG   ARG  61           HG2      ARG  61   6.383   4.033   4.033
  460   2HG   ARG  61           HG1      ARG  61   6.538   5.748   5.748
  461   1HD   ARG  61           HD2      ARG  61   3.793   4.856   4.856
  462   2HD   ARG  61           HD1      ARG  61   4.976   4.833   4.833
  463    HE   ARG  61           HE       ARG  61   4.803   7.257   7.257
  464   1HH1  ARG  61          HH21      ARG  61   6.180   6.491   6.491
  465   2HH1  ARG  61          HH22      ARG  61   5.293   7.573   7.573
  466   1HH2  ARG  61          HH11      ARG  61   2.900   8.301   8.301
  467   2HH2  ARG  61          HH12      ARG  61   3.436   8.597   8.597
  468    H    LEU  62           HN       LEU  62   4.344   1.706   1.706
  469    HA   LEU  62           HA       LEU  62   3.055   1.096   1.096
  470   1HB   LEU  62           HB1      LEU  62   3.822  -0.782  -0.782
  471   2HB   LEU  62           HB2      LEU  62   3.025  -1.261  -1.261
  472    HG   LEU  62           HG       LEU  62   5.674   0.198   0.198
  473   1HD1  LEU  62          HD21      LEU  62   5.162  -2.792  -2.792
  474   2HD1  LEU  62          HD23      LEU  62   6.725  -2.028  -2.028
  475   3HD1  LEU  62          HD22      LEU  62   5.954  -1.889  -1.889
  476   1HD2  LEU  62          HD11      LEU  62   3.830  -0.880  -0.880
  477   2HD2  LEU  62          HD13      LEU  62   5.177   0.238   0.238
  478   3HD2  LEU  62          HD12      LEU  62   5.469  -1.501  -1.501
  479    H    ALA  63           HN       ALA  63   0.795   0.598   0.598
  480    HA   ALA  63           HA       ALA  63  -0.494   0.885   0.885
  481   1HB   ALA  63           HB3      ALA  63  -0.246   2.984   2.984
  482   2HB   ALA  63           HB2      ALA  63  -1.711   2.275   2.275
  483   3HB   ALA  63           HB1      ALA  63  -1.669   2.763   2.763
  484    H    LYS  64           HN       LYS  64  -3.017   0.474   0.474
  485    HA   LYS  64           HA       LYS  64  -3.525  -1.489  -1.489
  486   1HB   LYS  64           HB1      LYS  64  -3.034  -2.061  -2.061
  487   2HB   LYS  64           HB2      LYS  64  -4.457  -2.854  -2.854
  488   1HG   LYS  64           HG2      LYS  64  -3.114  -3.821  -3.821
  489   2HG   LYS  64           HG1      LYS  64  -1.687  -2.950  -2.950
  490   1HD   LYS  64           HD2      LYS  64  -1.642  -4.198  -4.198
  491   2HD   LYS  64           HD1      LYS  64  -3.209  -4.930  -4.930
  492   1HE   LYS  64           HE1      LYS  64  -1.596  -5.502  -5.502
  493   2HE   LYS  64           HE2      LYS  64  -0.587  -5.827  -5.827
  494   1HZ   LYS  64           HZ3      LYS  64  -3.404  -6.732  -6.732
  495   2HZ   LYS  64           HZ2      LYS  64  -2.051  -7.716  -7.716
  496   3HZ   LYS  64           HZ1      LYS  64  -2.347  -7.128  -7.128
  497    H    VAL  65           HN       VAL  65  -5.836  -1.935  -1.935
  498    HA   VAL  65           HA       VAL  65  -7.612  -0.112  -0.112
  499    HB   VAL  65           HB       VAL  65  -7.575  -0.604  -0.604
  500   1HG1  VAL  65          HG12      VAL  65  -9.863  -0.330  -0.330
  501   2HG1  VAL  65          HG11      VAL  65  -9.364   1.172   1.172
  502   3HG1  VAL  65          HG13      VAL  65  -9.393   1.060   1.060
  503   1HG2  VAL  65          HG23      VAL  65  -6.605   1.595   1.595
  504   2HG2  VAL  65          HG22      VAL  65  -5.867   0.933   0.933
  505   3HG2  VAL  65          HG21      VAL  65  -7.251   2.020   2.020
  506    H    ASP  66           HN       ASP  66  -9.715  -0.930  -0.930
  507    HA   ASP  66           HA       ASP  66 -10.035  -3.841  -3.841
  508   1HB   ASP  66           HB2      ASP  66 -10.783  -1.936  -1.936
  509   2HB   ASP  66           HB1      ASP  66 -12.013  -3.140  -3.140
  510    H    ALA  67           HN       ALA  67 -10.930  -3.821  -3.821
  511    HA   ALA  67           HA       ALA  67 -12.695  -2.070  -2.070
  512   1HB   ALA  67           HB2      ALA  67 -11.558  -4.301  -4.301
  513   2HB   ALA  67           HB1      ALA  67 -13.050  -5.057  -5.057
  514   3HB   ALA  67           HB3      ALA  67 -13.099  -3.867  -3.867
  515    H    THR  68           HN       THR  68 -13.431  -4.334  -4.334
  516    HA   THR  68           HA       THR  68 -16.351  -3.979  -3.979
  517    HB   THR  68           HB       THR  68 -16.344  -5.561  -5.561
  518    HG1  THR  68           HG1      THR  68 -14.331  -6.380  -6.380
  519   1HG2  THR  68          HG22      THR  68 -16.248  -6.253  -6.253
  520   2HG2  THR  68          HG21      THR  68 -14.517  -6.497  -6.497
  521   3HG2  THR  68          HG23      THR  68 -15.676  -7.451  -7.451
  522    H    GLU  69           HN       GLU  69 -13.742  -2.528  -2.528
  523    HA   GLU  69           HA       GLU  69 -15.594  -1.386  -1.386
  524   1HB   GLU  69           HB1      GLU  69 -13.356  -2.502  -2.502
  525   2HB   GLU  69           HB2      GLU  69 -12.588  -1.111  -1.111
  526   1HG   GLU  69           HG1      GLU  69 -14.279  -1.186  -1.186
  527   2HG   GLU  69           HG2      GLU  69 -12.661  -0.520  -0.520
  528    H    GLU  70           HN       GLU  70 -13.031  -0.268  -0.268
  529    HA   GLU  70           HA       GLU  70 -14.325   2.434   2.434
  530   1HB   GLU  70           HB2      GLU  70 -11.542   1.558   1.558
  531   2HB   GLU  70           HB1      GLU  70 -12.101   3.220   3.220
  532   1HG   GLU  70           HG2      GLU  70 -11.543   3.148   3.148
  533   2HG   GLU  70           HG1      GLU  70 -12.706   1.847   1.847
  534    H    SER  71           HN       SER  71 -15.458   0.344   0.344
  535    HA   SER  71           HA       SER  71 -14.561   0.165   0.165
  536   1HB   SER  71           HB2      SER  71 -16.708  -0.666  -0.666
  537   2HB   SER  71           HB1      SER  71 -17.468   0.377   0.377
  538    HG   SER  71           HG       SER  71 -16.891  -2.046  -2.046
  539    H    ASP  72           HN       ASP  72 -16.100   2.825   2.825
  540    HA   ASP  72           HA       ASP  72 -17.292   4.285   4.285
  541   1HB   ASP  72           HB2      ASP  72 -16.136   4.742   4.742
  542   2HB   ASP  72           HB1      ASP  72 -15.992   6.158   6.158
  543    H    LEU  73           HN       LEU  73 -13.872   3.834   3.834
  544    HA   LEU  73           HA       LEU  73 -13.052   5.852   5.852
  545   1HB   LEU  73           HB1      LEU  73 -11.859   4.240   4.240
  546   2HB   LEU  73           HB2      LEU  73 -10.786   4.588   4.588
  547    HG   LEU  73           HG       LEU  73 -11.327   6.998   6.998
  548   1HD1  LEU  73          HD12      LEU  73 -13.610   6.522   6.522
  549   2HD1  LEU  73          HD11      LEU  73 -12.763   6.240   6.240
  550   3HD1  LEU  73          HD13      LEU  73 -12.691   7.827   7.827
  551   1HD2  LEU  73          HD21      LEU  73 -10.280   5.518   5.518
  552   2HD2  LEU  73          HD23      LEU  73  -9.363   6.358   6.358
  553   3HD2  LEU  73          HD22      LEU  73 -10.294   7.281   7.281
  554    H    ALA  74           HN       ALA  74 -13.270   2.350   2.350
  555    HA   ALA  74           HA       ALA  74 -11.695   1.669   1.669
  556   1HB   ALA  74           HB3      ALA  74 -13.462   0.392   0.392
  557   2HB   ALA  74           HB2      ALA  74 -13.436  -0.416  -0.416
  558   3HB   ALA  74           HB1      ALA  74 -11.935  -0.180  -0.180
  559    H    GLN  75           HN       GLN  75 -15.201   2.057   2.057
  560    HA   GLN  75           HA       GLN  75 -16.067   1.358   1.358
  561   1HB   GLN  75           HB2      GLN  75 -17.147   3.051   3.051
  562   2HB   GLN  75           HB1      GLN  75 -18.060   2.824   2.824
  563   1HG   GLN  75           HG1      GLN  75 -17.147   0.258   0.258
  564   2HG   GLN  75           HG2      GLN  75 -17.792   1.025   1.025
  565   1HE2  GLN  75          HE22      GLN  75 -20.313   0.099   0.099
  566   2HE2  GLN  75          HE21      GLN  75 -18.632   0.032   0.032
  567    H    GLN  76           HN       GLN  76 -14.924   4.389   4.389
  568    HA   GLN  76           HA       GLN  76 -15.673   6.178   6.178
  569   1HB   GLN  76           HB2      GLN  76 -14.566   6.399   6.399
  570   2HB   GLN  76           HB1      GLN  76 -13.085   6.473   6.473
  571   1HG   GLN  76           HG2      GLN  76 -13.840   8.393   8.393
  572   2HG   GLN  76           HG1      GLN  76 -15.494   8.195   8.195
  573   1HE2  GLN  76          HE22      GLN  76 -14.432  10.747  10.747
  574   2HE2  GLN  76          HE21      GLN  76 -15.206  10.507  10.507
  575    H    TYR  77           HN       TYR  77 -12.840   4.089   4.089
  576    HA   TYR  77           HA       TYR  77 -11.515   5.057   5.057
  577   1HB   TYR  77           HB1      TYR  77 -11.069   3.127   3.127
  578   2HB   TYR  77           HB2      TYR  77 -10.259   2.751   2.751
  579    HD1  TYR  77           HD1      TYR  77 -10.554   5.190   5.190
  580    HD2  TYR  77           HD2      TYR  77  -8.528   4.205   4.205
  581    HE1  TYR  77           HE1      TYR  77  -8.835   6.908   6.908
  582    HE2  TYR  77           HE2      TYR  77  -6.809   5.924   5.924
  583    HH   TYR  77           HH       TYR  77  -5.966   7.273   7.273
  584    H    GLY  78           HN       GLY  78 -13.014   1.962   1.962
  585   1HA   GLY  78           HA1      GLY  78 -14.647   1.013   1.013
  586   2HA   GLY  78           HA2      GLY  78 -13.407   1.372   1.372
  587    H    VAL  79           HN       VAL  79 -12.895   0.064   0.064
  588    HA   VAL  79           HA       VAL  79 -11.112  -1.995  -1.995
  589    HB   VAL  79           HB       VAL  79 -12.672  -1.771  -1.771
  590   1HG1  VAL  79          HG11      VAL  79 -10.989  -3.765  -3.765
  591   2HG1  VAL  79          HG13      VAL  79  -9.892  -2.713  -2.713
  592   3HG1  VAL  79          HG12      VAL  79 -11.310  -3.391  -3.391
  593   1HG2  VAL  79          HG23      VAL  79 -10.524  -0.126  -0.126
  594   2HG2  VAL  79          HG22      VAL  79 -11.601   0.224   0.224
  595   3HG2  VAL  79          HG21      VAL  79 -10.149  -0.747  -0.747
  596    H    ARG  80           HN       ARG  80 -11.980  -3.555  -3.555
  597    HA   ARG  80           HA       ARG  80 -14.598  -4.775  -4.775
  598   1HB   ARG  80           HB1      ARG  80 -14.657  -4.006  -4.006
  599   2HB   ARG  80           HB2      ARG  80 -12.945  -4.327  -4.327
  600   1HG   ARG  80           HG2      ARG  80 -13.316  -6.650  -6.650
  601   2HG   ARG  80           HG1      ARG  80 -14.951  -6.550  -6.550
  602   1HD   ARG  80           HD2      ARG  80 -15.589  -6.455  -6.455
  603   2HD   ARG  80           HD1      ARG  80 -15.049  -4.765  -4.765
  604    HE   ARG  80           HE       ARG  80 -12.974  -6.805  -6.805
  605   1HH1  ARG  80          HH11      ARG  80 -13.570  -3.648  -3.648
  606   2HH1  ARG  80          HH12      ARG  80 -13.366  -3.636  -3.636
  607   1HH2  ARG  80          HH21      ARG  80 -13.358  -7.092  -7.092
  608   2HH2  ARG  80          HH22      ARG  80 -13.247  -5.586  -5.586
  609    H    GLY  81           HN       GLY  81 -11.182  -5.376  -5.376
  610   1HA   GLY  81           HA2      GLY  81 -11.732  -8.213  -8.213
  611   2HA   GLY  81           HA1      GLY  81 -10.469  -7.851  -7.851
  612    H    TYR  82           HN       TYR  82 -10.139  -9.116  -9.116
  613    HA   TYR  82           HA       TYR  82  -8.481  -7.041  -7.041
  614   1HB   TYR  82           HB2      TYR  82  -9.765  -9.595  -9.595
  615   2HB   TYR  82           HB1      TYR  82  -8.924  -8.394  -8.394
  616    HD1  TYR  82           HD2      TYR  82 -11.935  -9.070  -9.070
  617    HD2  TYR  82           HD1      TYR  82  -9.950  -6.274  -6.274
  618    HE1  TYR  82           HE2      TYR  82 -14.039  -7.774  -7.774
  619    HE2  TYR  82           HE1      TYR  82 -12.054  -4.978  -4.978
  620    HH   TYR  82           HH       TYR  82 -14.123  -4.642  -4.642
  621    HA   PRO  83           HA       PRO  83  -7.164  -7.070  -7.070
  622   1HB   PRO  83           HB2      PRO  83  -4.522  -6.747  -6.747
  623   2HB   PRO  83           HB1      PRO  83  -5.544  -7.981  -7.981
  624   1HG   PRO  83           HG2      PRO  83  -3.369  -8.295  -8.295
  625   2HG   PRO  83           HG1      PRO  83  -4.150  -9.510  -9.510
  626   1HD   PRO  83           HD1      PRO  83  -4.587  -8.929  -8.929
  627   2HD   PRO  83           HD2      PRO  83  -5.208 -10.281 -10.281
  628    H    THR  84           HN       THR  84  -7.229  -4.923  -4.923
  629    HA   THR  84           HA       THR  84  -5.779  -4.174  -4.174
  630    HB   THR  84           HB       THR  84  -7.807  -2.744  -2.744
  631    HG1  THR  84           HG1      THR  84  -8.802  -4.429  -4.429
  632   1HG2  THR  84          HG23      THR  84  -6.208  -1.382  -1.382
  633   2HG2  THR  84          HG22      THR  84  -7.153  -2.074  -2.074
  634   3HG2  THR  84          HG21      THR  84  -7.941  -1.072  -1.072
  635    H    ILE  85           HN       ILE  85  -3.596  -3.991  -3.991
  636    HA   ILE  85           HA       ILE  85  -3.065  -2.150  -2.150
  637    HB   ILE  85           HB       ILE  85  -1.912  -4.352  -4.352
  638   1HG1  ILE  85          HG12      ILE  85   0.208  -2.269  -2.269
  639   2HG1  ILE  85          HG11      ILE  85  -0.904  -2.105  -2.105
  640   1HG2  ILE  85          HG22      ILE  85  -1.794  -4.271  -4.271
  641   2HG2  ILE  85          HG21      ILE  85  -0.632  -2.952  -2.952
  642   3HG2  ILE  85          HG23      ILE  85  -0.215  -4.553  -4.553
  643   1HD1  ILE  85          HD13      ILE  85   0.603  -4.661  -4.661
  644   2HD1  ILE  85          HD12      ILE  85   1.199  -3.433  -3.433
  645   3HD1  ILE  85          HD11      ILE  85  -0.307  -4.280  -4.280
  646    H    LYS  86           HN       LYS  86  -1.655  -0.293  -0.293
  647    HA   LYS  86           HA       LYS  86  -0.979   0.663   0.663
  648   1HB   LYS  86           HB2      LYS  86  -3.497   1.194   1.194
  649   2HB   LYS  86           HB1      LYS  86  -2.572   2.680   2.680
  650   1HG   LYS  86           HG2      LYS  86  -2.576   3.136   3.136
  651   2HG   LYS  86           HG1      LYS  86  -2.201   1.467   1.467
  652   1HD   LYS  86           HD2      LYS  86  -4.721   1.097   1.097
  653   2HD   LYS  86           HD1      LYS  86  -4.856   2.790   2.790
  654   1HE   LYS  86           HE2      LYS  86  -3.511   0.862   0.862
  655   2HE   LYS  86           HE1      LYS  86  -5.284   0.908   0.908
  656   1HZ   LYS  86           HZ1      LYS  86  -5.079   3.384   3.384
  657   2HZ   LYS  86           HZ3      LYS  86  -3.432   3.177   3.177
  658   3HZ   LYS  86           HZ2      LYS  86  -4.609   2.549   2.549
  659    H    PHE  87           HN       PHE  87   0.533   2.417   2.417
  660    HA   PHE  87           HA       PHE  87   1.594   2.956   2.956
  661   1HB   PHE  87           HB2      PHE  87   3.111   1.719   1.719
  662   2HB   PHE  87           HB1      PHE  87   2.855   2.835   2.835
  663    HD1  PHE  87           HD1      PHE  87   3.319   3.754   3.754
  664    HD2  PHE  87           HD2      PHE  87   5.070   3.641   3.641
  665    HE1  PHE  87           HE1      PHE  87   5.202   5.154   5.154
  666    HE2  PHE  87           HE2      PHE  87   6.952   5.041   5.041
  667    HZ   PHE  87           HZ       PHE  87   7.018   5.798   5.798
  668    H    PHE  88           HN       PHE  88   1.552   5.079   5.079
  669    HA   PHE  88           HA       PHE  88   0.867   7.188   7.188
  670   1HB   PHE  88           HB1      PHE  88   0.424   6.933   6.933
  671   2HB   PHE  88           HB2      PHE  88  -0.062   8.318   8.318
  672    HD1  PHE  88           HD1      PHE  88  -0.463   4.614   4.614
  673    HD2  PHE  88           HD2      PHE  88  -2.135   8.321   8.321
  674    HE1  PHE  88           HE1      PHE  88  -2.555   3.437   3.437
  675    HE2  PHE  88           HE2      PHE  88  -4.228   7.145   7.145
  676    HZ   PHE  88           HZ       PHE  88  -4.437   4.703   4.703
  677    H    ARG  89           HN       ARG  89   2.641   8.440   8.440
  678    HA   ARG  89           HA       ARG  89   4.768   8.768   8.768
  679   1HB   ARG  89           HB2      ARG  89   5.436   7.774   7.774
  680   2HB   ARG  89           HB1      ARG  89   4.726   9.129   9.129
  681   1HG   ARG  89           HG2      ARG  89   6.647   9.929   9.929
  682   2HG   ARG  89           HG1      ARG  89   7.359   8.981   8.981
  683   1HD   ARG  89           HD2      ARG  89   6.016  10.597  10.597
  684   2HD   ARG  89           HD1      ARG  89   5.984  11.657  11.657
  685    HE   ARG  89           HE       ARG  89   8.620  10.808  10.808
  686   1HH1  ARG  89          HH21      ARG  89   6.754  13.287  13.287
  687   2HH1  ARG  89          HH22      ARG  89   7.801  13.719  13.719
  688   1HH2  ARG  89          HH11      ARG  89   9.834  10.934  10.934
  689   2HH2  ARG  89          HH12      ARG  89   9.544  12.387  12.387
  690    H    ASN  90           HN       ASN  90   4.785  10.715  10.715
  691    HA   ASN  90           HA       ASN  90   4.381  13.002  13.002
  692   1HB   ASN  90           HB1      ASN  90   6.118  13.052  13.052
  693   2HB   ASN  90           HB2      ASN  90   4.851  13.069  13.069
  694   1HD2  ASN  90          HD22      ASN  90   4.904  16.394  16.394
  695   2HD2  ASN  90          HD21      ASN  90   5.021  14.852  14.852
  696    H    GLY  91           HN       GLY  91   1.989  11.723  11.723
  697   1HA   GLY  91           HA2      GLY  91  -0.305  12.056  12.056
  698   2HA   GLY  91           HA1      GLY  91   0.115  13.730  13.730
  699    H    ASP  92           HN       ASP  92   0.017  10.497  10.497
  700    HA   ASP  92           HA       ASP  92  -0.216  11.800  11.800
  701   1HB   ASP  92           HB2      ASP  92   1.585  10.011  10.011
  702   2HB   ASP  92           HB1      ASP  92   0.282   8.875   8.875
  703    H    THR  93           HN       THR  93  -2.408  11.405  11.405
  704    HA   THR  93           HA       THR  93  -4.129   9.256   9.256
  705    HB   THR  93           HB       THR  93  -5.910  11.064  11.064
  706    HG1  THR  93           HG1      THR  93  -5.220  12.997  12.997
  707   1HG2  THR  93          HG23      THR  93  -4.405   9.674   9.674
  708   2HG2  THR  93          HG22      THR  93  -3.653  11.239  11.239
  709   3HG2  THR  93          HG21      THR  93  -5.377  11.016  11.016
  710    H    ALA  94           HN       ALA  94  -3.659  12.169  12.169
  711    HA   ALA  94           HA       ALA  94  -5.827  11.835  11.835
  712   1HB   ALA  94           HB1      ALA  94  -4.281  13.797  13.797
  713   2HB   ALA  94           HB3      ALA  94  -3.028  12.856  12.856
  714   3HB   ALA  94           HB2      ALA  94  -4.498  13.295  13.295
  715    H    SER  95           HN       SER  95  -2.523  10.520  10.520
  716    HA   SER  95           HA       SER  95  -3.488   8.296   8.296
  717   1HB   SER  95           HB2      SER  95  -1.261  10.170  10.170
  718   2HB   SER  95           HB1      SER  95  -1.936   8.835   8.835
  719    HG   SER  95           HG       SER  95  -3.140  10.398  10.398
  720    HA   PRO  96           HA       PRO  96  -0.130   7.208   7.208
  721   1HB   PRO  96           HB1      PRO  96  -1.343   4.954   4.954
  722   2HB   PRO  96           HB2      PRO  96  -1.639   6.572   6.572
  723   1HG   PRO  96           HG2      PRO  96  -3.288   4.956   4.956
  724   2HG   PRO  96           HG1      PRO  96  -3.800   6.014   6.014
  725   1HD   PRO  96           HD2      PRO  96  -3.880   6.730   6.730
  726   2HD   PRO  96           HD1      PRO  96  -3.729   7.889   7.889
  727    H    LYS  97           HN       LYS  97   1.321   5.327   5.327
  728    HA   LYS  97           HA       LYS  97   1.390   4.148   4.148
  729   1HB   LYS  97           HB2      LYS  97   3.069   4.170   4.170
  730   2HB   LYS  97           HB1      LYS  97   3.411   2.971   2.971
  731   1HG   LYS  97           HG2      LYS  97   4.763   4.977   4.977
  732   2HG   LYS  97           HG1      LYS  97   3.569   4.806   4.806
  733   1HD   LYS  97           HD2      LYS  97   2.301   6.594   6.594
  734   2HD   LYS  97           HD1      LYS  97   2.826   6.404   6.404
  735   1HE   LYS  97           HE2      LYS  97   3.847   8.425   8.425
  736   2HE   LYS  97           HE1      LYS  97   5.104   7.213   7.213
  737   1HZ   LYS  97           HZ3      LYS  97   3.679   7.563   7.563
  738   2HZ   LYS  97           HZ2      LYS  97   5.260   8.096   8.096
  739   3HZ   LYS  97           HZ1      LYS  97   4.905   6.435   6.435
  740    H    GLU  98           HN       GLU  98   1.805   1.682   1.682
  741    HA   GLU  98           HA       GLU  98  -0.214   0.290   0.290
  742   1HB   GLU  98           HB2      GLU  98  -0.603   0.466   0.466
  743   2HB   GLU  98           HB1      GLU  98   0.908  -0.403  -0.403
  744   1HG   GLU  98           HG1      GLU  98  -1.339  -1.746  -1.746
  745   2HG   GLU  98           HG2      GLU  98   0.064  -2.407  -2.407
  746    H    TYR  99           HN       TYR  99   0.350  -1.786  -1.786
  747    HA   TYR  99           HA       TYR  99   3.284  -2.215  -2.215
  748   1HB   TYR  99           HB2      TYR  99   1.140  -2.141  -2.141
  749   2HB   TYR  99           HB1      TYR  99   1.400  -3.871  -3.871
  750    HD1  TYR  99           HD2      TYR  99   4.185  -4.285  -4.285
  751    HD2  TYR  99           HD1      TYR  99   2.180  -1.355  -1.355
  752    HE1  TYR  99           HE2      TYR  99   6.154  -4.176  -4.176
  753    HE2  TYR  99           HE1      TYR  99   4.153  -1.248  -1.248
  754    HH   TYR  99           HH       TYR  99   6.097  -2.915  -2.915
  755    H    THR 100           HN       THR 100   3.689  -3.321  -3.321
  756    HA   THR 100           HA       THR 100   2.183  -5.453  -5.453
  757    HB   THR 100           HB       THR 100   4.347  -6.004  -6.004
  758    HG1  THR 100           HG1      THR 100   6.173  -5.332  -5.332
  759   1HG2  THR 100          HG23      THR 100   3.152  -3.333  -3.333
  760   2HG2  THR 100          HG22      THR 100   4.825  -3.312  -3.312
  761   3HG2  THR 100          HG21      THR 100   3.619  -4.267  -4.267
  762    H    ALA 101           HN       ALA 101   4.615  -5.452  -5.452
  763    HA   ALA 101           HA       ALA 101   4.635  -8.386  -8.386
  764   1HB   ALA 101           HB1      ALA 101   6.135  -6.075  -6.075
  765   2HB   ALA 101           HB3      ALA 101   5.834  -7.203  -7.203
  766   3HB   ALA 101           HB2      ALA 101   6.658  -7.754  -7.754
  767    H    GLY 102           HN       GLY 102   4.439  -9.090  -9.090
  768   1HA   GLY 102           HA2      GLY 102   2.931  -8.115  -8.115
  769   2HA   GLY 102           HA1      GLY 102   1.672  -8.353  -8.353
  770    H    ARG 103           HN       ARG 103   4.286 -10.115 -10.115
  771    HA   ARG 103           HA       ARG 103   2.484 -12.443 -12.443
  772   1HB   ARG 103           HB2      ARG 103   4.576 -12.162 -12.162
  773   2HB   ARG 103           HB1      ARG 103   4.856 -13.562 -13.562
  774   1HG   ARG 103           HG2      ARG 103   2.570 -14.360 -14.360
  775   2HG   ARG 103           HG1      ARG 103   2.261 -12.946 -12.946
  776   1HD   ARG 103           HD2      ARG 103   3.059 -14.139 -14.139
  777   2HD   ARG 103           HD1      ARG 103   4.658 -14.074 -14.074
  778    HE   ARG 103           HE       ARG 103   3.218 -16.088 -16.088
  779   1HH1  ARG 103          HH11      ARG 103   2.417 -16.211 -16.211
  780   2HH1  ARG 103          HH12      ARG 103   3.455 -17.502 -17.502
  781   1HH2  ARG 103          HH21      ARG 103   5.409 -17.406 -17.406
  782   2HH2  ARG 103          HH22      ARG 103   5.150 -18.178 -18.178
  783    H    GLU 104           HN       GLU 104   5.765 -11.145 -11.145
  784    HA   GLU 104           HA       GLU 104   5.790 -12.366 -12.366
  785   1HB   GLU 104           HB1      GLU 104   8.064 -12.273 -12.273
  786   2HB   GLU 104           HB2      GLU 104   8.121 -13.018 -13.018
  787   1HG   GLU 104           HG1      GLU 104   5.979 -14.312 -14.312
  788   2HG   GLU 104           HG2      GLU 104   6.767 -13.960 -13.960
  789    H    ALA 105           HN       ALA 105   7.026 -11.130 -11.130
  790    HA   ALA 105           HA       ALA 105   6.875  -8.352  -8.352
  791   1HB   ALA 105           HB2      ALA 105   7.444  -9.920  -9.920
  792   2HB   ALA 105           HB1      ALA 105   9.096  -9.960  -9.960
  793   3HB   ALA 105           HB3      ALA 105   8.405  -8.443  -8.443
  794    H    ASP 106           HN       ASP 106   9.336 -10.389 -10.389
  795    HA   ASP 106           HA       ASP 106  11.327  -8.372  -8.372
  796   1HB   ASP 106           HB2      ASP 106  10.567 -11.049 -11.049
  797   2HB   ASP 106           HB1      ASP 106  11.769 -10.083 -10.083
  798    H    ASP 107           HN       ASP 107   8.793  -9.695  -9.695
  799    HA   ASP 107           HA       ASP 107   9.140  -8.049  -8.049
  800   1HB   ASP 107           HB2      ASP 107   6.930  -9.531  -9.531
  801   2HB   ASP 107           HB1      ASP 107   6.437  -8.331  -8.331
  802    H    ILE 108           HN       ILE 108   7.855  -7.246  -7.246
  803    HA   ILE 108           HA       ILE 108   6.560  -4.752  -4.752
  804    HB   ILE 108           HB       ILE 108   7.570  -5.733  -5.733
  805   1HG1  ILE 108          HG12      ILE 108   6.083  -7.384  -7.384
  806   2HG1  ILE 108          HG11      ILE 108   5.360  -6.719  -6.719
  807   1HG2  ILE 108          HG21      ILE 108   6.125  -3.373  -3.373
  808   2HG2  ILE 108          HG23      ILE 108   5.184  -4.294  -4.294
  809   3HG2  ILE 108          HG22      ILE 108   6.804  -3.734  -3.734
  810   1HD1  ILE 108          HD11      ILE 108   4.623  -4.963  -4.963
  811   2HD1  ILE 108          HD13      ILE 108   4.394  -6.590  -6.590
  812   3HD1  ILE 108          HD12      ILE 108   3.582  -6.107  -6.107
  813    H    VAL 109           HN       VAL 109   9.453  -5.433  -5.433
  814    HA   VAL 109           HA       VAL 109  10.481  -2.757  -2.757
  815    HB   VAL 109           HB       VAL 109  11.818  -5.457  -5.457
  816   1HG1  VAL 109          HG21      VAL 109  13.364  -3.522  -3.522
  817   2HG1  VAL 109          HG23      VAL 109  12.697  -2.728  -2.728
  818   3HG1  VAL 109          HG22      VAL 109  13.573  -4.250  -4.250
  819   1HG2  VAL 109          HG13      VAL 109   9.800  -4.289  -4.289
  820   2HG2  VAL 109          HG12      VAL 109  10.931  -5.509  -5.509
  821   3HG2  VAL 109          HG11      VAL 109  11.262  -3.797  -3.797
  822    H    ASN 110           HN       ASN 110  10.900  -5.529  -5.529
  823    HA   ASN 110           HA       ASN 110  13.159  -4.618  -4.618
  824   1HB   ASN 110           HB2      ASN 110  11.911  -6.890  -6.890
  825   2HB   ASN 110           HB1      ASN 110  10.858  -6.218  -6.218
  826   1HD2  ASN 110          HD22      ASN 110  14.152  -7.924  -7.924
  827   2HD2  ASN 110          HD21      ASN 110  13.261  -8.320  -8.320
  828    H    TRP 111           HN       TRP 111   9.683  -4.399  -4.399
  829    HA   TRP 111           HA       TRP 111  10.029  -2.803  -2.803
  830   1HB   TRP 111           HB2      TRP 111   8.009  -4.136  -4.136
  831   2HB   TRP 111           HB1      TRP 111   7.610  -2.515  -2.515
  832    HD1  TRP 111           HD1      TRP 111   8.148  -4.491  -4.491
  833    HE1  TRP 111           HE1      TRP 111   6.936  -3.262  -3.262
  834    HE3  TRP 111           HE3      TRP 111   6.634  -0.285  -0.285
  835    HZ2  TRP 111           HZ2      TRP 111   5.512  -0.818  -0.818
  836    HZ3  TRP 111           HZ3      TRP 111   5.353   1.475   1.475
  837    HH2  TRP 111           HH2      TRP 111   4.790   1.214   1.214
  838    H    LEU 112           HN       LEU 112   9.884  -1.960  -1.960
  839    HA   LEU 112           HA       LEU 112   9.592   0.925   0.925
  840   1HB   LEU 112           HB2      LEU 112   9.739  -0.882  -0.882
  841   2HB   LEU 112           HB1      LEU 112  10.003   0.848   0.848
  842    HG   LEU 112           HG       LEU 112   7.617  -0.181  -0.181
  843   1HD1  LEU 112          HD13      LEU 112   8.090  -0.113  -0.113
  844   2HD1  LEU 112          HD12      LEU 112   6.503   0.378   0.378
  845   3HD1  LEU 112          HD11      LEU 112   7.119  -1.234  -1.234
  846   1HD2  LEU 112          HD23      LEU 112   8.670   2.386   2.386
  847   2HD2  LEU 112          HD22      LEU 112   7.358   2.046   2.046
  848   3HD2  LEU 112          HD21      LEU 112   7.032   2.131   2.131
  849    H    LYS 113           HN       LYS 113  12.128  -1.324  -1.324
  850    HA   LYS 113           HA       LYS 113  14.070   0.914   0.914
  851   1HB   LYS 113           HB2      LYS 113  14.200  -2.040  -2.040
  852   2HB   LYS 113           HB1      LYS 113  15.498  -0.884  -0.884
  853   1HG   LYS 113           HG2      LYS 113  12.685  -0.498  -0.498
  854   2HG   LYS 113           HG1      LYS 113  13.938  -1.327  -1.327
  855   1HD   LYS 113           HD2      LYS 113  14.146   1.492   1.492
  856   2HD   LYS 113           HD1      LYS 113  13.801   1.079   1.079
  857   1HE   LYS 113           HE2      LYS 113  16.127  -0.391  -0.391
  858   2HE   LYS 113           HE1      LYS 113  16.367   1.300   1.300
  859   1HZ   LYS 113           HZ3      LYS 113  15.400   0.392   0.392
  860   2HZ   LYS 113           HZ2      LYS 113  16.969   0.952   0.952
  861   3HZ   LYS 113           HZ1      LYS 113  15.641   2.004   2.004
  862    H    LYS 114           HN       LYS 114  12.933  -1.092  -1.092
  863    HA   LYS 114           HA       LYS 114  15.184  -2.135  -2.135
  864   1HB   LYS 114           HB2      LYS 114  12.458  -1.281  -1.281
  865   2HB   LYS 114           HB1      LYS 114  13.530  -1.015  -1.015
  866   1HG   LYS 114           HG2      LYS 114  13.630  -3.626  -3.626
  867   2HG   LYS 114           HG1      LYS 114  12.373  -3.350  -3.350
  868   1HD   LYS 114           HD2      LYS 114  13.893  -3.206  -3.206
  869   2HD   LYS 114           HD1      LYS 114  15.223  -2.730  -2.730
  870   1HE   LYS 114           HE2      LYS 114  15.798  -4.896  -4.896
  871   2HE   LYS 114           HE1      LYS 114  14.104  -5.405  -5.405
  872   1HZ   LYS 114           HZ2      LYS 114  13.959  -5.017  -5.017
  873   2HZ   LYS 114           HZ1      LYS 114  15.656  -4.951  -4.951
  874   3HZ   LYS 114           HZ3      LYS 114  14.866  -6.369  -6.369
  875    H    ARG 115           HN       ARG 115  14.185   1.178   1.178
  876    HA   ARG 115           HA       ARG 115  16.748   2.176   2.176
  877   1HB   ARG 115           HB2      ARG 115  15.607   3.591   3.591
  878   2HB   ARG 115           HB1      ARG 115  15.472   1.863   1.863
  879   1HG   ARG 115           HG2      ARG 115  13.220   1.807   1.807
  880   2HG   ARG 115           HG1      ARG 115  13.325   3.089   3.089
  881   1HD   ARG 115           HD2      ARG 115  12.259   4.233   4.233
  882   2HD   ARG 115           HD1      ARG 115  13.956   4.561   4.561
  883    HE   ARG 115           HE       ARG 115  13.192   2.047   2.047
  884   1HH1  ARG 115          HH11      ARG 115  11.194   4.600   4.600
  885   2HH1  ARG 115          HH12      ARG 115  11.512   4.916   4.916
  886   1HH2  ARG 115          HH21      ARG 115  14.259   2.805   2.805
  887   2HH2  ARG 115          HH22      ARG 115  13.248   3.899   3.899
  888    H    THR 116           HN       THR 116  15.231   2.230   2.230
  889    HA   THR 116           HA       THR 116  14.571   3.756   3.756
  890    HB   THR 116           HB       THR 116  15.858   6.030   6.030
  891    HG1  THR 116           HG1      THR 116  17.934   5.009   5.009
  892   1HG2  THR 116          HG21      THR 116  15.374   5.888   5.888
  893   2HG2  THR 116          HG23      THR 116  16.478   4.518   4.518
  894   3HG2  THR 116          HG22      THR 116  17.094   6.111   6.111
  895    H    GLY 117           HN       GLY 117  12.376   3.445   3.445
  896   1HA   GLY 117           HA1      GLY 117  10.413   4.428   4.428
  897   2HA   GLY 117           HA2      GLY 117  10.949   5.870   5.870
  898    HA   PRO 118           HA       PRO 118  11.152   6.552   6.552
  899   1HB   PRO 118           HB1      PRO 118   9.302   8.561   8.561
  900   2HB   PRO 118           HB2      PRO 118   8.882   6.846   6.846
  901   1HG   PRO 118           HG2      PRO 118   8.576   8.666   8.666
  902   2HG   PRO 118           HG1      PRO 118   7.515   7.367   7.367
  903   1HD   PRO 118           HD2      PRO 118   9.242   7.130   7.130
  904   2HD   PRO 118           HD1      PRO 118   8.663   5.760   5.760
  905    H    ALA 119           HN       ALA 119  11.787   8.709   8.709
  906    HA   ALA 119           HA       ALA 119  13.137  10.457  10.457
  907   1HB   ALA 119           HB2      ALA 119  14.584   9.052   9.052
  908   2HB   ALA 119           HB1      ALA 119  13.871   9.828   9.828
  909   3HB   ALA 119           HB3      ALA 119  14.837  10.774  10.774
  910    H    ALA 120           HN       ALA 120  13.103  12.743  12.743
  911    HA   ALA 120           HA       ALA 120  10.722  13.691  13.691
  912   1HB   ALA 120           HB2      ALA 120  12.823  14.721  14.721
  913   2HB   ALA 120           HB1      ALA 120  12.021  15.914  15.914
  914   3HB   ALA 120           HB3      ALA 120  11.072  14.915  14.915

  Start of MODEL   35
    1   1H    ASP   1           HT1      ASP   1 -11.442  -0.621  -0.621
    2   2H    ASP   1           HT3      ASP   1 -12.565   0.061   0.061
    3   3H    ASP   1           HT2      ASP   1 -12.982  -1.317  -1.317
    4    HA   ASP   1           HA       ASP   1 -11.603  -2.720  -2.720
    5   1HB   ASP   1           HB1      ASP   1 -12.350  -2.018  -2.018
    6   2HB   ASP   1           HB2      ASP   1 -13.038  -0.588  -0.588
    7    H    ALA   2           HN       ALA   2  -9.348  -2.292  -2.292
    8    HA   ALA   2           HA       ALA   2  -7.159  -1.572  -1.572
    9   1HB   ALA   2           HB1      ALA   2  -8.601  -1.416  -1.416
   10   2HB   ALA   2           HB3      ALA   2  -6.847  -1.335  -1.335
   11   3HB   ALA   2           HB2      ALA   2  -7.714  -2.799  -2.799
   12    HA   PRO   3           HA       PRO   3  -8.317   2.872   2.872
   13   1HB   PRO   3           HB2      PRO   3  -7.269   3.481   3.481
   14   2HB   PRO   3           HB1      PRO   3  -8.909   2.846   2.846
   15   1HG   PRO   3           HG2      PRO   3  -6.482   1.513   1.513
   16   2HG   PRO   3           HG1      PRO   3  -8.184   1.160   1.160
   17   1HD   PRO   3           HD2      PRO   3  -6.465  -0.226  -0.226
   18   2HD   PRO   3           HD1      PRO   3  -8.217  -0.442  -0.442
   19    H    GLU   4           HN       GLU   4  -6.726   3.297   3.297
   20    HA   GLU   4           HA       GLU   4  -4.706   4.149   4.149
   21   1HB   GLU   4           HB1      GLU   4  -5.163   5.762   5.762
   22   2HB   GLU   4           HB2      GLU   4  -4.274   4.735   4.735
   23   1HG   GLU   4           HG1      GLU   4  -3.251   6.447   6.447
   24   2HG   GLU   4           HG2      GLU   4  -2.572   6.167   6.167
   25    H    GLU   5           HN       GLU   5  -2.854   3.152   3.152
   26    HA   GLU   5           HA       GLU   5  -1.070   1.625   1.625
   27   1HB   GLU   5           HB2      GLU   5  -1.298   2.040   2.040
   28   2HB   GLU   5           HB1      GLU   5   0.092   1.339   1.339
   29   1HG   GLU   5           HG1      GLU   5  -0.744   4.158   4.158
   30   2HG   GLU   5           HG2      GLU   5   0.857   3.476   3.476
   31    H    GLU   6           HN       GLU   6  -1.182  -0.536  -0.536
   32    HA   GLU   6           HA       GLU   6  -2.908  -2.228  -2.228
   33   1HB   GLU   6           HB2      GLU   6  -2.805  -1.763  -1.763
   34   2HB   GLU   6           HB1      GLU   6  -2.937  -3.458  -3.458
   35   1HG   GLU   6           HG2      GLU   6  -4.857  -2.808  -2.808
   36   2HG   GLU   6           HG1      GLU   6  -4.782  -1.189  -1.189
   37    H    ASP   7           HN       ASP   7  -1.637  -3.693  -3.693
   38    HA   ASP   7           HA       ASP   7   0.159  -5.151  -5.151
   39   1HB   ASP   7           HB1      ASP   7   0.704  -6.575  -6.575
   40   2HB   ASP   7           HB2      ASP   7  -0.352  -5.511  -5.511
   41    H    HIS   8           HN       HIS   8   1.456  -4.687  -4.687
   42    HA   HIS   8           HA       HIS   8   3.667  -3.040  -3.040
   43   1HB   HIS   8           HB1      HIS   8   3.576  -5.584  -5.584
   44   2HB   HIS   8           HB2      HIS   8   4.751  -4.436  -4.436
   45    HD1  HIS   8           HD1      HIS   8   3.726  -5.809  -5.809
   46    HD2  HIS   8           HD2      HIS   8   7.126  -4.488  -4.488
   47    HE1  HIS   8           HE1      HIS   8   5.677  -6.158  -6.158
   48    H    VAL   9           HN       VAL   9   1.146  -3.016  -3.016
   49    HA   VAL   9           HA       VAL   9   2.594  -1.085  -1.085
   50    HB   VAL   9           HB       VAL   9   0.259  -2.961  -2.961
   51   1HG1  VAL   9          HG13      VAL   9   1.580  -0.869  -0.869
   52   2HG1  VAL   9          HG12      VAL   9   0.587  -2.171  -2.171
   53   3HG1  VAL   9          HG11      VAL   9  -0.124  -0.984  -0.984
   54   1HG2  VAL   9          HG21      VAL   9   3.186  -2.973  -2.973
   55   2HG2  VAL   9          HG23      VAL   9   2.164  -4.297  -4.297
   56   3HG2  VAL   9          HG22      VAL   9   2.043  -3.735  -3.735
   57    H    LEU  10           HN       LEU  10   1.004   0.602   0.602
   58    HA   LEU  10           HA       LEU  10  -0.528   1.744   1.744
   59   1HB   LEU  10           HB2      LEU  10   0.968   2.753   2.753
   60   2HB   LEU  10           HB1      LEU  10  -0.648   2.955   2.955
   61    HG   LEU  10           HG       LEU  10  -1.011   3.796   3.796
   62   1HD1  LEU  10          HD13      LEU  10   1.682   3.562   3.562
   63   2HD1  LEU  10          HD12      LEU  10   1.515   5.205   5.205
   64   3HD1  LEU  10          HD11      LEU  10   0.852   4.786   4.786
   65   1HD2  LEU  10          HD23      LEU  10  -0.240   5.291   5.291
   66   2HD2  LEU  10          HD22      LEU  10  -1.850   5.064   5.064
   67   3HD2  LEU  10          HD21      LEU  10  -0.697   6.134   6.134
   68    H    VAL  11           HN       VAL  11  -2.561   2.970   2.970
   69    HA   VAL  11           HA       VAL  11  -4.244   1.030   1.030
   70    HB   VAL  11           HB       VAL  11  -4.573   0.509   0.509
   71   1HG1  VAL  11          HG22      VAL  11  -4.038   3.221   3.221
   72   2HG1  VAL  11          HG21      VAL  11  -5.739   3.057   3.057
   73   3HG1  VAL  11          HG23      VAL  11  -4.524   2.074   2.074
   74   1HG2  VAL  11          HG11      VAL  11  -6.594   1.268   1.268
   75   2HG2  VAL  11          HG13      VAL  11  -6.803   0.325   0.325
   76   3HG2  VAL  11          HG12      VAL  11  -7.018   2.076   2.076
   77    H    LEU  12           HN       LEU  12  -5.875   2.090   2.090
   78    HA   LEU  12           HA       LEU  12  -5.892   5.085   5.085
   79   1HB   LEU  12           HB2      LEU  12  -5.002   3.356   3.356
   80   2HB   LEU  12           HB1      LEU  12  -6.487   4.110   4.110
   81    HG   LEU  12           HG       LEU  12  -5.589   6.332   6.332
   82   1HD1  LEU  12          HD13      LEU  12  -3.495   4.705   4.705
   83   2HD1  LEU  12          HD12      LEU  12  -2.958   6.175   6.175
   84   3HD1  LEU  12          HD11      LEU  12  -4.179   6.265   6.265
   85   1HD2  LEU  12          HD21      LEU  12  -3.614   4.589   4.589
   86   2HD2  LEU  12          HD23      LEU  12  -5.053   5.346   5.346
   87   3HD2  LEU  12          HD22      LEU  12  -3.714   6.345   6.345
   88    H    ARG  13           HN       ARG  13  -7.893   6.093   6.093
   89    HA   ARG  13           HA       ARG  13 -10.253   4.392   4.392
   90   1HB   ARG  13           HB1      ARG  13 -11.389   5.079   5.079
   91   2HB   ARG  13           HB2      ARG  13  -9.808   4.461   4.461
   92   1HG   ARG  13           HG2      ARG  13  -9.196   6.444   6.444
   93   2HG   ARG  13           HG1      ARG  13  -9.707   7.322   7.322
   94   1HD   ARG  13           HD2      ARG  13 -11.146   8.144   8.144
   95   2HD   ARG  13           HD1      ARG  13 -12.131   6.911   6.911
   96    HE   ARG  13           HE       ARG  13 -11.571   5.361   5.361
   97   1HH1  ARG  13          HH21      ARG  13  -9.483   5.502   5.502
   98   2HH1  ARG  13          HH22      ARG  13  -9.677   6.742   6.742
   99   1HH2  ARG  13          HH11      ARG  13 -12.277   8.313   8.313
  100   2HH2  ARG  13          HH12      ARG  13 -11.259   8.334   8.334
  101    H    LYS  14           HN       LYS  14 -12.173   6.404   6.404
  102    HA   LYS  14           HA       LYS  14 -12.087   8.015   8.015
  103   1HB   LYS  14           HB2      LYS  14 -13.676   8.006   8.006
  104   2HB   LYS  14           HB1      LYS  14 -13.996   9.185   9.185
  105   1HG   LYS  14           HG1      LYS  14 -15.133   7.649   7.649
  106   2HG   LYS  14           HG2      LYS  14 -13.753   6.553   6.553
  107   1HD   LYS  14           HD1      LYS  14 -15.716   5.505   5.505
  108   2HD   LYS  14           HD2      LYS  14 -14.443   5.774   5.774
  109   1HE   LYS  14           HE2      LYS  14 -15.698   8.082   8.082
  110   2HE   LYS  14           HE1      LYS  14 -17.075   7.188   7.188
  111   1HZ   LYS  14           HZ3      LYS  14 -15.349   5.993   5.993
  112   2HZ   LYS  14           HZ2      LYS  14 -16.650   6.999   6.999
  113   3HZ   LYS  14           HZ1      LYS  14 -16.930   5.564   5.564
  114    H    SER  15           HN       SER  15 -11.209   8.744   8.744
  115    HA   SER  15           HA       SER  15 -10.459  11.518  11.518
  116   1HB   SER  15           HB1      SER  15 -11.987  11.158  11.158
  117   2HB   SER  15           HB2      SER  15 -10.762  10.168  10.168
  118    HG   SER  15           HG       SER  15 -11.037  12.727  12.727
  119    H    ASN  16           HN       ASN  16  -8.898   8.659   8.659
  120    HA   ASN  16           HA       ASN  16  -6.383   9.741   9.741
  121   1HB   ASN  16           HB1      ASN  16  -7.770   7.193   7.193
  122   2HB   ASN  16           HB2      ASN  16  -6.106   7.006   7.006
  123   1HD2  ASN  16          HD22      ASN  16  -6.343   6.883   6.883
  124   2HD2  ASN  16          HD21      ASN  16  -7.183   6.060   6.060
  125    H    PHE  17           HN       PHE  17  -7.782   8.246   8.246
  126    HA   PHE  17           HA       PHE  17  -5.453   7.782   7.782
  127   1HB   PHE  17           HB2      PHE  17  -7.831   7.150   7.150
  128   2HB   PHE  17           HB1      PHE  17  -8.138   8.832   8.832
  129    HD1  PHE  17           HD2      PHE  17  -6.485   9.884   9.884
  130    HD2  PHE  17           HD1      PHE  17  -7.074   5.665   5.665
  131    HE1  PHE  17           HE2      PHE  17  -5.577   9.466   9.466
  132    HE2  PHE  17           HE1      PHE  17  -6.166   5.244   5.244
  133    HZ   PHE  17           HZ       PHE  17  -5.417   7.145   7.145
  134    H    ALA  18           HN       ALA  18  -7.581  10.643  10.643
  135    HA   ALA  18           HA       ALA  18  -5.841  12.209  12.209
  136   1HB   ALA  18           HB2      ALA  18  -8.313  12.500  12.500
  137   2HB   ALA  18           HB1      ALA  18  -7.621  13.342  13.342
  138   3HB   ALA  18           HB3      ALA  18  -7.345  13.954  13.954
  139    H    GLU  19           HN       GLU  19  -5.694  11.466  11.466
  140    HA   GLU  19           HA       GLU  19  -3.888  13.686  13.686
  141   1HB   GLU  19           HB2      GLU  19  -5.559  12.653  12.653
  142   2HB   GLU  19           HB1      GLU  19  -4.629  11.156  11.156
  143   1HG   GLU  19           HG2      GLU  19  -2.624  12.505  12.505
  144   2HG   GLU  19           HG1      GLU  19  -3.732  13.850  13.850
  145    H    ALA  20           HN       ALA  20  -3.525  10.128  10.128
  146    HA   ALA  20           HA       ALA  20  -0.721  10.026  10.026
  147   1HB   ALA  20           HB3      ALA  20  -2.940   8.292   8.292
  148   2HB   ALA  20           HB2      ALA  20  -1.625   7.878   7.878
  149   3HB   ALA  20           HB1      ALA  20  -1.355   7.860   7.860
  150    H    LEU  21           HN       LEU  21  -2.702  10.637  10.637
  151    HA   LEU  21           HA       LEU  21  -0.796  10.107  10.107
  152   1HB   LEU  21           HB2      LEU  21  -3.372  11.413  11.413
  153   2HB   LEU  21           HB1      LEU  21  -2.398  12.268  12.268
  154    HG   LEU  21           HG       LEU  21  -3.829  10.468  10.468
  155   1HD1  LEU  21          HD23      LEU  21  -0.844  10.515  10.515
  156   2HD1  LEU  21          HD22      LEU  21  -1.703   9.228   9.228
  157   3HD1  LEU  21          HD21      LEU  21  -2.048  10.916  10.916
  158   1HD2  LEU  21          HD12      LEU  21  -3.287   8.987   8.987
  159   2HD2  LEU  21          HD11      LEU  21  -3.648   8.242   8.242
  160   3HD2  LEU  21          HD13      LEU  21  -1.974   8.411   8.411
  161    H    ALA  22           HN       ALA  22  -1.509  13.070  13.070
  162    HA   ALA  22           HA       ALA  22   0.816  14.442  14.442
  163   1HB   ALA  22           HB2      ALA  22  -1.725  15.128  15.128
  164   2HB   ALA  22           HB1      ALA  22  -0.384  16.139  16.139
  165   3HB   ALA  22           HB3      ALA  22  -0.789  16.048  16.048
  166    H    ALA  23           HN       ALA  23  -0.057  12.754  12.754
  167    HA   ALA  23           HA       ALA  23   1.558  13.995  13.995
  168   1HB   ALA  23           HB3      ALA  23  -0.126  11.892  11.892
  169   2HB   ALA  23           HB2      ALA  23   1.408  11.021  11.021
  170   3HB   ALA  23           HB1      ALA  23   1.005  12.110  12.110
  171    H    HIS  24           HN       HIS  24   2.462  11.038  11.038
  172    HA   HIS  24           HA       HIS  24   5.324  11.908  11.908
  173   1HB   HIS  24           HB2      HIS  24   3.932   9.223   9.223
  174   2HB   HIS  24           HB1      HIS  24   5.674   9.371   9.371
  175    HD1  HIS  24           HD1      HIS  24   6.787  11.058  11.058
  176    HD2  HIS  24           HD2      HIS  24   3.320   8.923   8.923
  177    HE1  HIS  24           HE1      HIS  24   6.637  10.962  10.962
  178    H    LYS  25           HN       LYS  25   6.693  11.456  11.456
  179    HA   LYS  25           HA       LYS  25   5.560  12.056  12.056
  180   1HB   LYS  25           HB1      LYS  25   8.161  10.736  10.736
  181   2HB   LYS  25           HB2      LYS  25   7.848  11.346  11.346
  182   1HG   LYS  25           HG1      LYS  25   7.935  13.556  13.556
  183   2HG   LYS  25           HG2      LYS  25   7.352  13.198  13.198
  184   1HD   LYS  25           HD2      LYS  25   9.687  13.813  13.813
  185   2HD   LYS  25           HD1      LYS  25   9.565  12.077  12.077
  186   1HE   LYS  25           HE2      LYS  25  10.564  11.530  11.530
  187   2HE   LYS  25           HE1      LYS  25  10.023  13.027  13.027
  188   1HZ   LYS  25           HZ1      LYS  25  11.961  12.957  12.957
  189   2HZ   LYS  25           HZ3      LYS  25  12.429  13.009  13.009
  190   3HZ   LYS  25           HZ2      LYS  25  11.545  14.296  14.296
  191    H    TYR  26           HN       TYR  26   7.259   8.998   8.998
  192    HA   TYR  26           HA       TYR  26   5.709   7.564   7.564
  193   1HB   TYR  26           HB2      TYR  26   7.633   6.557   6.557
  194   2HB   TYR  26           HB1      TYR  26   7.179   5.721   5.721
  195    HD1  TYR  26           HD2      TYR  26   7.275   7.745   7.745
  196    HD2  TYR  26           HD1      TYR  26   9.878   7.203   7.203
  197    HE1  TYR  26           HE2      TYR  26   9.095   8.909   8.909
  198    HE2  TYR  26           HE1      TYR  26  11.700   8.365   8.365
  199    HH   TYR  26           HH       TYR  26  11.365  10.304  10.304
  200    H    LEU  27           HN       LEU  27   3.747   6.602   6.602
  201    HA   LEU  27           HA       LEU  27   3.176   5.695   5.695
  202   1HB   LEU  27           HB2      LEU  27   2.199   7.997   7.997
  203   2HB   LEU  27           HB1      LEU  27   0.921   6.839   6.839
  204    HG   LEU  27           HG       LEU  27   0.515   7.926   7.926
  205   1HD1  LEU  27          HD22      LEU  27   1.326   5.008   5.008
  206   2HD1  LEU  27          HD21      LEU  27   0.400   5.825   5.825
  207   3HD1  LEU  27          HD23      LEU  27  -0.277   5.648   5.648
  208   1HD2  LEU  27          HD12      LEU  27   3.250   7.857   7.857
  209   2HD2  LEU  27          HD11      LEU  27   2.121   8.188   8.188
  210   3HD2  LEU  27          HD13      LEU  27   2.746   6.556   6.556
  211    H    LEU  28           HN       LEU  28   2.716   3.537   3.537
  212    HA   LEU  28           HA       LEU  28   1.619   2.420   2.420
  213   1HB   LEU  28           HB2      LEU  28   3.595   1.641   1.641
  214   2HB   LEU  28           HB1      LEU  28   2.234   0.627   0.627
  215    HG   LEU  28           HG       LEU  28   3.594  -0.470  -0.470
  216   1HD1  LEU  28          HD23      LEU  28   1.044  -0.685  -0.685
  217   2HD1  LEU  28          HD22      LEU  28   0.971   0.435   0.435
  218   3HD1  LEU  28          HD21      LEU  28   1.769  -1.127  -1.127
  219   1HD2  LEU  28          HD13      LEU  28   4.100   1.926   1.926
  220   2HD2  LEU  28          HD12      LEU  28   4.069   0.506   0.506
  221   3HD2  LEU  28          HD11      LEU  28   2.671   1.581   1.581
  222    H    VAL  29           HN       VAL  29  -0.486   1.662   1.662
  223    HA   VAL  29           HA       VAL  29  -1.990   1.391   1.391
  224    HB   VAL  29           HB       VAL  29  -2.925   2.721   2.721
  225   1HG1  VAL  29          HG23      VAL  29  -4.193   2.116   2.116
  226   2HG1  VAL  29          HG22      VAL  29  -4.701   3.542   3.542
  227   3HG1  VAL  29          HG21      VAL  29  -4.868   1.938   1.938
  228   1HG2  VAL  29          HG11      VAL  29  -2.064   3.895   3.895
  229   2HG2  VAL  29          HG13      VAL  29  -1.226   4.078   4.078
  230   3HG2  VAL  29          HG12      VAL  29  -2.813   4.810   4.810
  231    H    GLU  30           HN       GLU  30  -3.088  -0.530  -0.530
  232    HA   GLU  30           HA       GLU  30  -3.435  -2.076  -2.076
  233   1HB   GLU  30           HB1      GLU  30  -1.947  -3.066  -3.066
  234   2HB   GLU  30           HB2      GLU  30  -3.213  -2.925  -2.925
  235   1HG   GLU  30           HG1      GLU  30  -2.853  -5.209  -5.209
  236   2HG   GLU  30           HG2      GLU  30  -4.474  -4.645  -4.645
  237    H    PHE  31           HN       PHE  31  -5.519  -2.732  -2.732
  238    HA   PHE  31           HA       PHE  31  -7.705  -1.998  -1.998
  239   1HB   PHE  31           HB2      PHE  31  -7.442  -1.940  -1.940
  240   2HB   PHE  31           HB1      PHE  31  -8.988  -1.757  -1.757
  241    HD1  PHE  31           HD1      PHE  31  -9.107   0.071   0.071
  242    HD2  PHE  31           HD2      PHE  31  -6.077  -0.075  -0.075
  243    HE1  PHE  31           HE1      PHE  31  -8.606   2.471   2.471
  244    HE2  PHE  31           HE2      PHE  31  -5.575   2.323   2.323
  245    HZ   PHE  31           HZ       PHE  31  -6.840   3.595   3.595
  246    H    TYR  32           HN       TYR  32  -8.042  -4.074  -4.074
  247    HA   TYR  32           HA       TYR  32  -8.988  -6.173  -6.173
  248   1HB   TYR  32           HB2      TYR  32  -7.673  -7.830  -7.830
  249   2HB   TYR  32           HB1      TYR  32  -6.608  -6.508  -6.508
  250    HD1  TYR  32           HD2      TYR  32  -6.114  -4.673  -4.673
  251    HD2  TYR  32           HD1      TYR  32  -7.936  -8.417  -8.417
  252    HE1  TYR  32           HE2      TYR  32  -5.490  -4.309  -4.309
  253    HE2  TYR  32           HE1      TYR  32  -7.312  -8.054  -8.054
  254    HH   TYR  32           HH       TYR  32  -5.888  -5.013  -5.013
  255    H    ALA  33           HN       ALA  33 -10.034  -8.051  -8.051
  256    HA   ALA  33           HA       ALA  33 -11.669  -6.772  -6.772
  257   1HB   ALA  33           HB1      ALA  33 -12.798  -7.155  -7.155
  258   2HB   ALA  33           HB3      ALA  33 -12.513  -8.881  -8.881
  259   3HB   ALA  33           HB2      ALA  33 -13.558  -8.012  -8.012
  260    HA   PRO  34           HA       PRO  34 -10.500 -10.175 -10.175
  261   1HB   PRO  34           HB2      PRO  34 -12.813 -10.718 -10.718
  262   2HB   PRO  34           HB1      PRO  34 -11.799  -9.300  -9.300
  263   1HG   PRO  34           HG2      PRO  34 -14.307  -9.511  -9.511
  264   2HG   PRO  34           HG1      PRO  34 -13.802  -8.247  -8.247
  265   1HD   PRO  34           HD2      PRO  34 -13.618  -7.956  -7.956
  266   2HD   PRO  34           HD1      PRO  34 -12.484  -7.187  -7.187
  267    H    TRP  35           HN       TRP  35 -13.212 -10.494 -10.494
  268    HA   TRP  35           HA       TRP  35 -13.328 -13.436 -13.436
  269   1HB   TRP  35           HB2      TRP  35 -15.194 -13.191 -13.191
  270   2HB   TRP  35           HB1      TRP  35 -15.355 -12.027 -12.027
  271    HD1  TRP  35           HD1      TRP  35 -15.457  -9.544  -9.544
  272    HE1  TRP  35           HE1      TRP  35 -15.215  -8.207  -8.207
  273    HE3  TRP  35           HE3      TRP  35 -13.829 -13.245 -13.245
  274    HZ2  TRP  35           HZ2      TRP  35 -14.433  -8.648  -8.648
  275    HZ3  TRP  35           HZ3      TRP  35 -13.343 -12.759 -12.759
  276    HH2  TRP  35           HH2      TRP  35 -13.643 -10.467 -10.467
  277    H    CYS  36           HN       CYS  36 -11.574 -11.131 -11.131
  278    HA   CYS  36           HA       CYS  36 -11.292 -12.267 -12.267
  279   1HB   CYS  36           HB2      CYS  36 -10.272 -10.171 -10.171
  280   2HB   CYS  36           HB1      CYS  36  -9.172 -11.106 -11.106
  281    H    GLY  37           HN       GLY  37  -9.625 -13.765 -13.765
  282   1HA   GLY  37           HA2      GLY  37  -8.887 -15.849 -15.849
  283   2HA   GLY  37           HA1      GLY  37  -9.256 -16.205 -16.205
  284    H    HIS  38           HN       HIS  38  -7.751 -14.093 -14.093
  285    HA   HIS  38           HA       HIS  38  -5.052 -15.253 -15.253
  286   1HB   HIS  38           HB2      HIS  38  -6.545 -13.401 -13.401
  287   2HB   HIS  38           HB1      HIS  38  -4.783 -13.421 -13.421
  288    HD1  HIS  38           HD1      HIS  38  -3.945 -16.209 -16.209
  289    HD2  HIS  38           HD2      HIS  38  -7.494 -15.189 -15.189
  290    HE1  HIS  38           HE1      HIS  38  -4.483 -18.125 -18.125
  291    H    CYS  39           HN       CYS  39  -6.617 -12.889 -12.889
  292    HA   CYS  39           HA       CYS  39  -4.448 -10.899 -10.899
  293   1HB   CYS  39           HB2      CYS  39  -6.986 -11.302 -11.302
  294   2HB   CYS  39           HB1      CYS  39  -5.951  -9.878  -9.878
  295    H    LYS  40           HN       LYS  40  -5.467 -13.714 -13.714
  296    HA   LYS  40           HA       LYS  40  -4.007 -13.202 -13.202
  297   1HB   LYS  40           HB2      LYS  40  -4.375 -15.630 -15.630
  298   2HB   LYS  40           HB1      LYS  40  -5.837 -14.844 -14.844
  299   1HG   LYS  40           HG1      LYS  40  -5.721 -16.719 -16.719
  300   2HG   LYS  40           HG2      LYS  40  -4.900 -15.510 -15.510
  301   1HD   LYS  40           HD2      LYS  40  -3.053 -16.776 -16.776
  302   2HD   LYS  40           HD1      LYS  40  -2.962 -16.658 -16.658
  303   1HE   LYS  40           HE2      LYS  40  -5.024 -18.547 -18.547
  304   2HE   LYS  40           HE1      LYS  40  -3.376 -19.013 -19.013
  305   1HZ   LYS  40           HZ1      LYS  40  -4.004 -18.021 -18.021
  306   2HZ   LYS  40           HZ3      LYS  40  -4.138 -19.667 -19.667
  307   3HZ   LYS  40           HZ2      LYS  40  -2.635 -18.886 -18.886
  308    H    ALA  41           HN       ALA  41  -3.111 -14.487 -14.487
  309    HA   ALA  41           HA       ALA  41  -0.675 -15.797 -15.797
  310   1HB   ALA  41           HB1      ALA  41  -2.076 -14.707 -14.707
  311   2HB   ALA  41           HB3      ALA  41  -0.323 -14.627 -14.627
  312   3HB   ALA  41           HB2      ALA  41  -1.109 -16.177 -16.177
  313    H    LEU  42           HN       LEU  42  -1.114 -12.446 -12.446
  314    HA   LEU  42           HA       LEU  42   1.626 -11.779 -11.779
  315   1HB   LEU  42           HB2      LEU  42   0.543 -11.276 -11.276
  316   2HB   LEU  42           HB1      LEU  42  -0.300  -9.981  -9.981
  317    HG   LEU  42           HG       LEU  42   1.932  -9.154  -9.154
  318   1HD1  LEU  42          HD11      LEU  42   2.748 -11.645 -11.645
  319   2HD1  LEU  42          HD13      LEU  42   3.632 -10.284 -10.284
  320   3HD1  LEU  42          HD12      LEU  42   3.675 -10.571 -10.571
  321   1HD2  LEU  42          HD23      LEU  42   0.671  -8.515  -8.515
  322   2HD2  LEU  42          HD22      LEU  42   2.294  -7.901  -7.901
  323   3HD2  LEU  42          HD21      LEU  42   2.067  -9.287  -9.287
  324    H    ALA  43           HN       ALA  43  -0.856 -12.117 -12.117
  325    HA   ALA  43           HA       ALA  43  -1.438  -9.416  -9.416
  326   1HB   ALA  43           HB2      ALA  43  -2.387 -12.132 -12.132
  327   2HB   ALA  43           HB1      ALA  43  -2.193 -11.381 -11.381
  328   3HB   ALA  43           HB3      ALA  43  -3.224 -10.623 -10.623
  329    HA   PRO  44           HA       PRO  44   1.392 -10.743 -10.743
  330   1HB   PRO  44           HB2      PRO  44   2.632 -13.174 -13.174
  331   2HB   PRO  44           HB1      PRO  44   0.997 -12.947 -12.947
  332   1HG   PRO  44           HG2      PRO  44   1.872 -14.156 -14.156
  333   2HG   PRO  44           HG1      PRO  44   0.401 -14.440 -14.440
  334   1HD   PRO  44           HD2      PRO  44   0.656 -12.861 -12.861
  335   2HD   PRO  44           HD1      PRO  44  -0.760 -12.991 -12.991
  336    H    GLU  45           HN       GLU  45   2.308 -11.508 -11.508
  337    HA   GLU  45           HA       GLU  45   5.189 -11.309 -11.309
  338   1HB   GLU  45           HB2      GLU  45   3.268 -10.968 -10.968
  339   2HB   GLU  45           HB1      GLU  45   5.017 -11.048 -11.048
  340   1HG   GLU  45           HG1      GLU  45   4.846 -13.290 -13.290
  341   2HG   GLU  45           HG2      GLU  45   4.325 -13.254 -13.254
  342    H    TYR  46           HN       TYR  46   2.489  -9.209  -9.209
  343    HA   TYR  46           HA       TYR  46   3.750  -6.784  -6.784
  344   1HB   TYR  46           HB1      TYR  46   1.221  -7.798  -7.798
  345   2HB   TYR  46           HB2      TYR  46   1.453  -6.592  -6.592
  346    HD1  TYR  46           HD2      TYR  46   1.278  -7.193  -7.193
  347    HD2  TYR  46           HD1      TYR  46   1.656  -4.258  -4.258
  348    HE1  TYR  46           HE2      TYR  46   0.824  -5.393  -5.393
  349    HE2  TYR  46           HE1      TYR  46   1.204  -2.447  -2.447
  350    HH   TYR  46           HH       TYR  46   1.298  -2.054  -2.054
  351    H    ALA  47           HN       ALA  47   2.400  -7.484  -7.484
  352    HA   ALA  47           HA       ALA  47   3.694  -5.467  -5.467
  353   1HB   ALA  47           HB1      ALA  47   2.343  -8.038  -8.038
  354   2HB   ALA  47           HB3      ALA  47   3.468  -7.593  -7.593
  355   3HB   ALA  47           HB2      ALA  47   2.150  -6.502  -6.502
  356    H    LYS  48           HN       LYS  48   4.991  -8.511  -8.511
  357    HA   LYS  48           HA       LYS  48   7.295  -8.585  -8.585
  358   1HB   LYS  48           HB2      LYS  48   6.025 -10.288 -10.288
  359   2HB   LYS  48           HB1      LYS  48   7.442  -9.841  -9.841
  360   1HG   LYS  48           HG2      LYS  48   8.181 -11.703 -11.703
  361   2HG   LYS  48           HG1      LYS  48   8.779 -10.327 -10.327
  362   1HD   LYS  48           HD2      LYS  48   6.279 -10.629 -10.629
  363   2HD   LYS  48           HD1      LYS  48   6.695 -12.302 -12.302
  364   1HE   LYS  48           HE2      LYS  48   8.824 -10.668 -10.668
  365   2HE   LYS  48           HE1      LYS  48   7.444 -11.146 -11.146
  366   1HZ   LYS  48           HZ2      LYS  48   7.735 -13.422 -13.422
  367   2HZ   LYS  48           HZ1      LYS  48   9.271 -12.881 -12.881
  368   3HZ   LYS  48           HZ3      LYS  48   8.885 -12.968 -12.968
  369    H    ALA  49           HN       ALA  49   6.598  -7.181  -7.181
  370    HA   ALA  49           HA       ALA  49   9.341  -6.521  -6.521
  371   1HB   ALA  49           HB3      ALA  49   6.585  -5.939  -5.939
  372   2HB   ALA  49           HB2      ALA  49   7.850  -4.816  -4.816
  373   3HB   ALA  49           HB1      ALA  49   7.985  -6.530  -6.530
  374    H    ALA  50           HN       ALA  50   6.670  -4.809  -4.809
  375    HA   ALA  50           HA       ALA  50   7.966  -2.247  -2.247
  376   1HB   ALA  50           HB1      ALA  50   5.713  -3.699  -3.699
  377   2HB   ALA  50           HB3      ALA  50   6.218  -2.106  -2.106
  378   3HB   ALA  50           HB2      ALA  50   5.627  -2.312  -2.312
  379    H    GLY  51           HN       GLY  51   8.255  -5.235  -5.235
  380   1HA   GLY  51           HA2      GLY  51   9.361  -4.130  -4.130
  381   2HA   GLY  51           HA1      GLY  51   9.512  -5.807  -5.807
  382    H    LYS  52           HN       LYS  52  10.692  -5.104  -5.104
  383    HA   LYS  52           HA       LYS  52  13.477  -5.017  -5.017
  384   1HB   LYS  52           HB2      LYS  52  12.080  -4.627  -4.627
  385   2HB   LYS  52           HB1      LYS  52  13.793  -4.996  -4.996
  386   1HG   LYS  52           HG2      LYS  52  13.005  -7.056  -7.056
  387   2HG   LYS  52           HG1      LYS  52  11.415  -6.744  -6.744
  388   1HD   LYS  52           HD2      LYS  52  12.675  -6.667  -6.667
  389   2HD   LYS  52           HD1      LYS  52  13.971  -7.492  -7.492
  390   1HE   LYS  52           HE2      LYS  52  12.507  -9.339  -9.339
  391   2HE   LYS  52           HE1      LYS  52  11.099  -8.480  -8.480
  392   1HZ   LYS  52           HZ2      LYS  52  12.298  -8.361  -8.361
  393   2HZ   LYS  52           HZ1      LYS  52  13.502  -9.370  -9.370
  394   3HZ   LYS  52           HZ3      LYS  52  11.920  -9.951  -9.951
  395    H    LEU  53           HN       LEU  53  11.140  -2.546  -2.546
  396    HA   LEU  53           HA       LEU  53  13.317  -0.486  -0.486
  397   1HB   LEU  53           HB2      LEU  53  11.890   0.803   0.803
  398   2HB   LEU  53           HB1      LEU  53  12.285  -0.776  -0.776
  399    HG   LEU  53           HG       LEU  53   9.981  -1.340  -1.340
  400   1HD1  LEU  53          HD12      LEU  53   9.912   1.257   1.257
  401   2HD1  LEU  53          HD11      LEU  53   9.385   1.290   1.290
  402   3HD1  LEU  53          HD13      LEU  53   8.438   0.415   0.415
  403   1HD2  LEU  53          HD23      LEU  53  10.571  -0.540  -0.540
  404   2HD2  LEU  53          HD22      LEU  53  10.153  -2.128  -2.128
  405   3HD2  LEU  53          HD21      LEU  53   8.909  -0.890  -0.890
  406    H    LYS  54           HN       LYS  54  10.929  -1.765  -1.765
  407    HA   LYS  54           HA       LYS  54   9.234   0.334   0.334
  408   1HB   LYS  54           HB2      LYS  54   9.640  -2.217  -2.217
  409   2HB   LYS  54           HB1      LYS  54  10.526  -1.441  -1.441
  410   1HG   LYS  54           HG2      LYS  54   8.375   0.077   0.077
  411   2HG   LYS  54           HG1      LYS  54   7.609  -1.285  -1.285
  412   1HD   LYS  54           HD2      LYS  54   7.762  -2.635  -2.635
  413   2HD   LYS  54           HD1      LYS  54   9.355  -2.018  -2.018
  414   1HE   LYS  54           HE2      LYS  54   8.406  -0.063  -0.063
  415   2HE   LYS  54           HE1      LYS  54   6.797  -0.430  -0.430
  416   1HZ   LYS  54           HZ1      LYS  54   8.331  -2.238  -2.238
  417   2HZ   LYS  54           HZ3      LYS  54   7.102  -1.199  -1.199
  418   3HZ   LYS  54           HZ2      LYS  54   6.737  -2.460  -2.460
  419    H    ALA  55           HN       ALA  55  12.556  -0.432  -0.432
  420    HA   ALA  55           HA       ALA  55  12.739   2.047   2.047
  421   1HB   ALA  55           HB2      ALA  55  13.633  -0.418  -0.418
  422   2HB   ALA  55           HB1      ALA  55  14.994   0.132   0.132
  423   3HB   ALA  55           HB3      ALA  55  14.574   0.984   0.984
  424    H    GLU  56           HN       GLU  56  13.984   0.557   0.557
  425    HA   GLU  56           HA       GLU  56  14.789   3.220   3.220
  426   1HB   GLU  56           HB1      GLU  56  16.637   0.934   0.934
  427   2HB   GLU  56           HB2      GLU  56  17.079   2.127   2.127
  428   1HG   GLU  56           HG2      GLU  56  16.501   3.903   3.903
  429   2HG   GLU  56           HG1      GLU  56  16.429   2.611   2.611
  430    H    GLY  57           HN       GLY  57  16.380   0.692   0.692
  431   1HA   GLY  57           HA2      GLY  57  15.871  -0.466  -0.466
  432   2HA   GLY  57           HA1      GLY  57  14.164  -0.243  -0.243
  433    H    SER  58           HN       SER  58  13.723   2.395   2.395
  434    HA   SER  58           HA       SER  58  15.044   3.844   3.844
  435   1HB   SER  58           HB1      SER  58  13.121   1.807   1.807
  436   2HB   SER  58           HB2      SER  58  12.470   3.385   3.385
  437    HG   SER  58           HG       SER  58  13.972   2.138   2.138
  438    H    GLU  59           HN       GLU  59  12.896   5.313   5.313
  439    HA   GLU  59           HA       GLU  59  11.868   6.557   6.557
  440   1HB   GLU  59           HB1      GLU  59  12.003   8.683   8.683
  441   2HB   GLU  59           HB2      GLU  59  13.571   7.892   7.892
  442   1HG   GLU  59           HG2      GLU  59  13.532   7.104   7.104
  443   2HG   GLU  59           HG1      GLU  59  11.793   7.357   7.357
  444    H    ILE  60           HN       ILE  60  10.520   4.466   4.466
  445    HA   ILE  60           HA       ILE  60   8.254   6.025   6.025
  446    HB   ILE  60           HB       ILE  60   7.936   4.280   4.280
  447   1HG1  ILE  60          HG11      ILE  60   7.729   2.482   2.482
  448   2HG1  ILE  60          HG12      ILE  60   8.611   1.962   1.962
  449   1HG2  ILE  60          HG23      ILE  60  10.888   4.139   4.139
  450   2HG2  ILE  60          HG22      ILE  60  10.140   3.545   3.545
  451   3HG2  ILE  60          HG21      ILE  60  10.102   5.268   5.268
  452   1HD1  ILE  60          HD11      ILE  60  10.740   2.580   2.580
  453   2HD1  ILE  60          HD13      ILE  60   9.736   2.726   2.726
  454   3HD1  ILE  60          HD12      ILE  60   9.869   1.176   1.176
  455    H    ARG  61           HN       ARG  61   6.075   4.803   4.803
  456    HA   ARG  61           HA       ARG  61   5.956   3.469   3.469
  457   1HB   ARG  61           HB2      ARG  61   5.556   5.849   5.849
  458   2HB   ARG  61           HB1      ARG  61   4.384   5.871   5.871
  459   1HG   ARG  61           HG1      ARG  61   2.780   5.397   5.397
  460   2HG   ARG  61           HG2      ARG  61   3.533   3.819   3.819
  461   1HD   ARG  61           HD2      ARG  61   4.275   6.349   6.349
  462   2HD   ARG  61           HD1      ARG  61   3.344   4.985   4.985
  463    HE   ARG  61           HE       ARG  61   6.009   4.399   4.399
  464   1HH1  ARG  61          HH11      ARG  61   5.116   5.759   5.759
  465   2HH1  ARG  61          HH12      ARG  61   5.625   4.456   4.456
  466   1HH2  ARG  61          HH21      ARG  61   6.162   2.257   2.257
  467   2HH2  ARG  61          HH22      ARG  61   6.217   2.472   2.472
  468    H    LEU  62           HN       LEU  62   4.606   1.705   1.705
  469    HA   LEU  62           HA       LEU  62   3.006   1.261   1.261
  470   1HB   LEU  62           HB1      LEU  62   4.042  -0.425  -0.425
  471   2HB   LEU  62           HB2      LEU  62   2.856  -1.062  -1.062
  472    HG   LEU  62           HG       LEU  62   4.961   0.270   0.270
  473   1HD1  LEU  62          HD23      LEU  62   6.178  -0.380  -0.380
  474   2HD1  LEU  62          HD22      LEU  62   5.945  -2.051  -2.051
  475   3HD1  LEU  62          HD21      LEU  62   6.889  -0.945  -0.945
  476   1HD2  LEU  62          HD11      LEU  62   3.280  -1.926  -1.926
  477   2HD2  LEU  62          HD13      LEU  62   4.564  -1.480  -1.480
  478   3HD2  LEU  62          HD12      LEU  62   4.878  -2.655  -2.655
  479    H    ALA  63           HN       ALA  63   0.754   0.555   0.555
  480    HA   ALA  63           HA       ALA  63  -0.571   1.006   1.006
  481   1HB   ALA  63           HB1      ALA  63  -0.301   3.032   3.032
  482   2HB   ALA  63           HB3      ALA  63  -1.860   2.350   2.350
  483   3HB   ALA  63           HB2      ALA  63  -1.609   2.933   2.933
  484    H    LYS  64           HN       LYS  64  -2.876   0.290   0.290
  485    HA   LYS  64           HA       LYS  64  -3.503  -1.561  -1.561
  486   1HB   LYS  64           HB1      LYS  64  -3.374  -2.096  -2.096
  487   2HB   LYS  64           HB2      LYS  64  -4.308  -3.128  -3.128
  488   1HG   LYS  64           HG2      LYS  64  -2.041  -3.096  -3.096
  489   2HG   LYS  64           HG1      LYS  64  -1.347  -2.758  -2.758
  490   1HD   LYS  64           HD2      LYS  64  -3.269  -5.043  -5.043
  491   2HD   LYS  64           HD1      LYS  64  -1.521  -5.226  -5.226
  492   1HE   LYS  64           HE2      LYS  64  -1.231  -4.495  -4.495
  493   2HE   LYS  64           HE1      LYS  64  -2.983  -4.268  -4.268
  494   1HZ   LYS  64           HZ3      LYS  64  -3.147  -6.649  -6.649
  495   2HZ   LYS  64           HZ2      LYS  64  -1.487  -6.782  -6.782
  496   3HZ   LYS  64           HZ1      LYS  64  -2.585  -6.446  -6.446
  497    H    VAL  65           HN       VAL  65  -5.833  -1.993  -1.993
  498    HA   VAL  65           HA       VAL  65  -7.593  -0.212  -0.212
  499    HB   VAL  65           HB       VAL  65  -7.483  -0.427  -0.427
  500   1HG1  VAL  65          HG12      VAL  65  -9.784  -0.157  -0.157
  501   2HG1  VAL  65          HG11      VAL  65  -9.226   1.344   1.344
  502   3HG1  VAL  65          HG13      VAL  65  -9.280   1.196   1.196
  503   1HG2  VAL  65          HG22      VAL  65  -6.681   1.720   1.720
  504   2HG2  VAL  65          HG21      VAL  65  -5.681   0.950   0.950
  505   3HG2  VAL  65          HG23      VAL  65  -6.965   2.061   2.061
  506    H    ASP  66           HN       ASP  66  -9.715  -1.018  -1.018
  507    HA   ASP  66           HA       ASP  66 -10.073  -3.862  -3.862
  508   1HB   ASP  66           HB1      ASP  66 -11.414  -2.031  -2.031
  509   2HB   ASP  66           HB2      ASP  66 -11.915  -3.698  -3.698
  510    H    ALA  67           HN       ALA  67 -10.783  -3.594  -3.594
  511    HA   ALA  67           HA       ALA  67 -12.523  -1.721  -1.721
  512   1HB   ALA  67           HB3      ALA  67 -11.332  -4.113  -4.113
  513   2HB   ALA  67           HB2      ALA  67 -13.051  -4.489  -4.489
  514   3HB   ALA  67           HB1      ALA  67 -12.375  -3.149  -3.149
  515    H    THR  68           HN       THR  68 -13.320  -4.370  -4.370
  516    HA   THR  68           HA       THR  68 -16.210  -4.203  -4.203
  517    HB   THR  68           HB       THR  68 -16.042  -5.689  -5.689
  518    HG1  THR  68           HG1      THR  68 -13.912  -5.077  -5.077
  519   1HG2  THR  68          HG21      THR  68 -14.828  -6.504  -6.504
  520   2HG2  THR  68          HG23      THR  68 -15.401  -7.620  -7.620
  521   3HG2  THR  68          HG22      THR  68 -16.541  -6.555  -6.555
  522    H    GLU  69           HN       GLU  69 -13.877  -2.624  -2.624
  523    HA   GLU  69           HA       GLU  69 -16.050  -1.532  -1.532
  524   1HB   GLU  69           HB1      GLU  69 -13.768  -2.758  -2.758
  525   2HB   GLU  69           HB2      GLU  69 -13.135  -1.122  -1.122
  526   1HG   GLU  69           HG2      GLU  69 -14.523  -0.272  -0.272
  527   2HG   GLU  69           HG1      GLU  69 -15.656  -1.619  -1.619
  528    H    GLU  70           HN       GLU  70 -13.080  -0.502  -0.502
  529    HA   GLU  70           HA       GLU  70 -14.108   2.300   2.300
  530   1HB   GLU  70           HB2      GLU  70 -11.437   0.992   0.992
  531   2HB   GLU  70           HB1      GLU  70 -11.727   2.718   2.718
  532   1HG   GLU  70           HG2      GLU  70 -11.480   3.090   3.090
  533   2HG   GLU  70           HG1      GLU  70 -12.705   1.879   1.879
  534    H    SER  71           HN       SER  71 -15.422   0.419   0.419
  535    HA   SER  71           HA       SER  71 -14.504   0.202   0.202
  536   1HB   SER  71           HB2      SER  71 -17.358   0.919   0.919
  537   2HB   SER  71           HB1      SER  71 -16.724  -0.346  -0.346
  538    HG   SER  71           HG       SER  71 -17.555  -1.231  -1.231
  539    H    ASP  72           HN       ASP  72 -15.584   3.057   3.057
  540    HA   ASP  72           HA       ASP  72 -16.429   4.756   4.756
  541   1HB   ASP  72           HB1      ASP  72 -15.050   5.023   5.023
  542   2HB   ASP  72           HB2      ASP  72 -15.090   6.452   6.452
  543    H    LEU  73           HN       LEU  73 -13.145   3.796   3.796
  544    HA   LEU  73           HA       LEU  73 -11.828   5.681   5.681
  545   1HB   LEU  73           HB1      LEU  73 -10.854   3.109   3.109
  546   2HB   LEU  73           HB2      LEU  73  -9.840   4.413   4.413
  547    HG   LEU  73           HG       LEU  73 -11.826   4.640   4.640
  548   1HD1  LEU  73          HD21      LEU  73  -8.971   3.973   3.973
  549   2HD1  LEU  73          HD23      LEU  73  -9.311   5.313   5.313
  550   3HD1  LEU  73          HD22      LEU  73 -10.097   3.753   3.753
  551   1HD2  LEU  73          HD12      LEU  73  -9.887   6.656   6.656
  552   2HD2  LEU  73          HD11      LEU  73 -11.645   6.720   6.720
  553   3HD2  LEU  73          HD13      LEU  73 -10.870   6.907   6.907
  554    H    ALA  74           HN       ALA  74 -12.214   2.133   2.133
  555    HA   ALA  74           HA       ALA  74 -11.174   1.706   1.706
  556   1HB   ALA  74           HB2      ALA  74 -13.167   0.301   0.301
  557   2HB   ALA  74           HB1      ALA  74 -12.724  -0.365  -0.365
  558   3HB   ALA  74           HB3      ALA  74 -11.492  -0.141  -0.141
  559    H    GLN  75           HN       GLN  75 -14.414   2.656   2.656
  560    HA   GLN  75           HA       GLN  75 -15.714   2.285   2.285
  561   1HB   GLN  75           HB2      GLN  75 -16.273   3.744   3.744
  562   2HB   GLN  75           HB1      GLN  75 -17.371   3.898   3.898
  563   1HG   GLN  75           HG2      GLN  75 -17.240   1.275   1.275
  564   2HG   GLN  75           HG1      GLN  75 -16.711   1.462   1.462
  565   1HE2  GLN  75          HE22      GLN  75 -19.889   2.768   2.768
  566   2HE2  GLN  75          HE21      GLN  75 -18.223   2.851   2.851
  567    H    GLN  76           HN       GLN  76 -14.013   4.980   4.980
  568    HA   GLN  76           HA       GLN  76 -14.806   6.965   6.965
  569   1HB   GLN  76           HB2      GLN  76 -13.566   6.843   6.843
  570   2HB   GLN  76           HB1      GLN  76 -12.329   7.484   7.484
  571   1HG   GLN  76           HG2      GLN  76 -13.878   9.219   9.219
  572   2HG   GLN  76           HG1      GLN  76 -15.158   8.555   8.555
  573   1HE2  GLN  76          HE22      GLN  76 -13.886   9.983   9.983
  574   2HE2  GLN  76          HE21      GLN  76 -14.980   8.866   8.866
  575    H    TYR  77           HN       TYR  77 -12.201   4.624   4.624
  576    HA   TYR  77           HA       TYR  77 -10.692   5.848   5.848
  577   1HB   TYR  77           HB2      TYR  77 -10.200   3.378   3.378
  578   2HB   TYR  77           HB1      TYR  77  -9.031   4.162   4.162
  579    HD1  TYR  77           HD1      TYR  77  -9.559   7.026   7.026
  580    HD2  TYR  77           HD2      TYR  77  -9.340   3.688   3.688
  581    HE1  TYR  77           HE1      TYR  77  -8.933   8.558   8.558
  582    HE2  TYR  77           HE2      TYR  77  -8.714   5.220   5.220
  583    HH   TYR  77           HH       TYR  77  -8.651   8.736   8.736
  584    H    GLY  78           HN       GLY  78 -12.811   3.129   3.129
  585   1HA   GLY  78           HA1      GLY  78 -13.952   1.759   1.759
  586   2HA   GLY  78           HA2      GLY  78 -13.112   2.599   2.599
  587    H    VAL  79           HN       VAL  79 -12.534   0.223   0.223
  588    HA   VAL  79           HA       VAL  79 -10.096  -0.777  -0.777
  589    HB   VAL  79           HB       VAL  79 -10.118  -2.316  -2.316
  590   1HG1  VAL  79          HG21      VAL  79 -10.307   0.554   0.554
  591   2HG1  VAL  79          HG23      VAL  79 -10.991  -0.168  -0.168
  592   3HG1  VAL  79          HG22      VAL  79  -9.337  -0.547  -0.547
  593   1HG2  VAL  79          HG11      VAL  79 -12.987  -1.599  -1.599
  594   2HG2  VAL  79          HG13      VAL  79 -12.205  -3.082  -3.082
  595   3HG2  VAL  79          HG12      VAL  79 -12.261  -1.672  -1.672
  596    H    ARG  80           HN       ARG  80  -9.926  -3.099  -3.099
  597    HA   ARG  80           HA       ARG  80 -12.395  -3.962  -3.962
  598   1HB   ARG  80           HB1      ARG  80 -10.769  -5.230  -5.230
  599   2HB   ARG  80           HB2      ARG  80 -10.299  -3.536  -3.536
  600   1HG   ARG  80           HG2      ARG  80  -8.308  -4.187  -4.187
  601   2HG   ARG  80           HG1      ARG  80  -9.142  -4.835  -4.835
  602   1HD   ARG  80           HD2      ARG  80  -8.141  -6.787  -6.787
  603   2HD   ARG  80           HD1      ARG  80  -9.632  -6.850  -6.850
  604    HE   ARG  80           HE       ARG  80  -8.067  -5.323  -5.323
  605   1HH1  ARG  80          HH21      ARG  80  -5.482  -5.938  -5.938
  606   2HH1  ARG  80          HH22      ARG  80  -5.144  -7.510  -7.510
  607   1HH2  ARG  80          HH11      ARG  80  -8.483  -8.349  -8.349
  608   2HH2  ARG  80          HH12      ARG  80  -6.844  -8.877  -8.877
  609    H    GLY  81           HN       GLY  81 -10.244  -4.874  -4.874
  610   1HA   GLY  81           HA2      GLY  81 -11.884  -6.793  -6.793
  611   2HA   GLY  81           HA1      GLY  81 -10.908  -7.697  -7.697
  612    H    TYR  82           HN       TYR  82 -10.757  -8.015  -8.015
  613    HA   TYR  82           HA       TYR  82  -8.247  -6.660  -6.660
  614   1HB   TYR  82           HB1      TYR  82  -9.900  -8.690  -8.690
  615   2HB   TYR  82           HB2      TYR  82  -8.812  -7.473  -7.473
  616    HD1  TYR  82           HD1      TYR  82  -9.592  -5.100  -5.100
  617    HD2  TYR  82           HD2      TYR  82 -12.002  -8.105  -8.105
  618    HE1  TYR  82           HE1      TYR  82 -11.468  -3.488  -3.488
  619    HE2  TYR  82           HE2      TYR  82 -13.880  -6.493  -6.493
  620    HH   TYR  82           HH       TYR  82 -13.496  -3.175  -3.175
  621    HA   PRO  83           HA       PRO  83  -6.844  -7.125  -7.125
  622   1HB   PRO  83           HB1      PRO  83  -4.117  -7.283  -7.283
  623   2HB   PRO  83           HB2      PRO  83  -5.136  -8.303  -8.303
  624   1HG   PRO  83           HG2      PRO  83  -3.684  -8.970  -8.970
  625   2HG   PRO  83           HG1      PRO  83  -4.104  -9.998  -9.998
  626   1HD   PRO  83           HD1      PRO  83  -5.415  -9.913  -9.913
  627   2HD   PRO  83           HD2      PRO  83  -6.013 -10.687 -10.687
  628    H    THR  84           HN       THR  84  -6.568  -4.994  -4.994
  629    HA   THR  84           HA       THR  84  -5.444  -4.536  -4.536
  630    HB   THR  84           HB       THR  84  -7.081  -2.559  -2.559
  631    HG1  THR  84           HG1      THR  84  -8.902  -3.639  -3.639
  632   1HG2  THR  84          HG21      THR  84  -6.037  -2.718  -2.718
  633   2HG2  THR  84          HG23      THR  84  -7.765  -3.024  -3.024
  634   3HG2  THR  84          HG22      THR  84  -7.206  -1.541  -1.541
  635    H    ILE  85           HN       ILE  85  -3.226  -4.334  -4.334
  636    HA   ILE  85           HA       ILE  85  -2.418  -2.549  -2.549
  637    HB   ILE  85           HB       ILE  85  -0.715  -3.680  -3.680
  638   1HG1  ILE  85          HG12      ILE  85  -1.980  -5.572  -5.572
  639   2HG1  ILE  85          HG11      ILE  85  -0.361  -5.649  -5.649
  640   1HG2  ILE  85          HG22      ILE  85   0.025  -1.992  -1.992
  641   2HG2  ILE  85          HG21      ILE  85   0.091  -3.470  -3.470
  642   3HG2  ILE  85          HG23      ILE  85   1.076  -3.319  -3.319
  643   1HD1  ILE  85          HD13      ILE  85  -1.512  -4.195  -4.195
  644   2HD1  ILE  85          HD12      ILE  85  -2.958  -5.012  -5.012
  645   3HD1  ILE  85          HD11      ILE  85  -1.593  -5.957  -5.957
  646    H    LYS  86           HN       LYS  86  -1.484  -0.472  -0.472
  647    HA   LYS  86           HA       LYS  86  -1.187   0.671   0.671
  648   1HB   LYS  86           HB2      LYS  86  -3.499   1.002   1.002
  649   2HB   LYS  86           HB1      LYS  86  -2.703   2.559   2.559
  650   1HG   LYS  86           HG2      LYS  86  -2.726   2.205   2.205
  651   2HG   LYS  86           HG1      LYS  86  -3.525   0.651   0.651
  652   1HD   LYS  86           HD2      LYS  86  -4.914   2.777   2.777
  653   2HD   LYS  86           HD1      LYS  86  -4.782   3.134   3.134
  654   1HE   LYS  86           HE1      LYS  86  -5.710   0.432   0.432
  655   2HE   LYS  86           HE2      LYS  86  -6.835   1.762   1.762
  656   1HZ   LYS  86           HZ3      LYS  86  -4.767   0.825   0.825
  657   2HZ   LYS  86           HZ2      LYS  86  -6.372   0.270   0.270
  658   3HZ   LYS  86           HZ1      LYS  86  -6.034   1.911   1.911
  659    H    PHE  87           HN       PHE  87   0.459   2.187   2.187
  660    HA   PHE  87           HA       PHE  87   1.592   2.981   2.981
  661   1HB   PHE  87           HB1      PHE  87   3.071   1.647   1.647
  662   2HB   PHE  87           HB2      PHE  87   2.761   2.664   2.664
  663    HD1  PHE  87           HD1      PHE  87   3.396   3.683   3.683
  664    HD2  PHE  87           HD2      PHE  87   4.868   3.629   3.629
  665    HE1  PHE  87           HE1      PHE  87   5.272   5.162   5.162
  666    HE2  PHE  87           HE2      PHE  87   6.745   5.108   5.108
  667    HZ   PHE  87           HZ       PHE  87   6.945   5.884   5.884
  668    H    PHE  88           HN       PHE  88   1.492   5.132   5.132
  669    HA   PHE  88           HA       PHE  88   0.749   7.085   7.085
  670   1HB   PHE  88           HB1      PHE  88   0.292   6.880   6.880
  671   2HB   PHE  88           HB2      PHE  88   0.002   8.377   8.377
  672    HD1  PHE  88           HD2      PHE  88  -1.391   8.061   8.061
  673    HD2  PHE  88           HD1      PHE  88  -1.471   5.372   5.372
  674    HE1  PHE  88           HE2      PHE  88  -3.582   7.183   7.183
  675    HE2  PHE  88           HE1      PHE  88  -3.662   4.492   4.492
  676    HZ   PHE  88           HZ       PHE  88  -4.718   5.397   5.397
  677    H    ARG  89           HN       ARG  89   1.677   9.342   9.342
  678    HA   ARG  89           HA       ARG  89   4.273   9.316   9.316
  679   1HB   ARG  89           HB2      ARG  89   4.636   8.539   8.539
  680   2HB   ARG  89           HB1      ARG  89   3.922  10.040  10.040
  681   1HG   ARG  89           HG2      ARG  89   5.735  11.323  11.323
  682   2HG   ARG  89           HG1      ARG  89   6.171  10.220  10.220
  683   1HD   ARG  89           HD2      ARG  89   7.772   9.405   9.405
  684   2HD   ARG  89           HD1      ARG  89   6.454   8.689   8.689
  685    HE   ARG  89           HE       ARG  89   6.686  11.466  11.466
  686   1HH1  ARG  89          HH11      ARG  89   9.123   9.158   9.158
  687   2HH1  ARG  89          HH12      ARG  89   9.516   9.252   9.252
  688   1HH2  ARG  89          HH21      ARG  89   6.823  11.290  11.290
  689   2HH2  ARG  89          HH22      ARG  89   8.215  10.458  10.458
  690    H    ASN  90           HN       ASN  90   3.909  11.043  11.043
  691    HA   ASN  90           HA       ASN  90   3.338  13.227  13.227
  692   1HB   ASN  90           HB1      ASN  90   5.341  13.470  13.470
  693   2HB   ASN  90           HB2      ASN  90   4.245  13.801  13.801
  694   1HD2  ASN  90          HD22      ASN  90   4.580  17.215  17.215
  695   2HD2  ASN  90          HD21      ASN  90   4.934  16.032  16.032
  696    H    GLY  91           HN       GLY  91   0.962  12.226  12.226
  697   1HA   GLY  91           HA2      GLY  91  -1.238  12.588  12.588
  698   2HA   GLY  91           HA1      GLY  91  -0.754  14.279  14.279
  699    H    ASP  92           HN       ASP  92  -0.678  11.288  11.288
  700    HA   ASP  92           HA       ASP  92  -0.098  12.754  12.754
  701   1HB   ASP  92           HB2      ASP  92   0.706  10.436  10.436
  702   2HB   ASP  92           HB1      ASP  92  -0.961   9.881   9.881
  703    H    THR  93           HN       THR  93  -2.805  10.661  10.661
  704    HA   THR  93           HA       THR  93  -5.046  10.564  10.564
  705    HB   THR  93           HB       THR  93  -6.048  12.927  12.927
  706    HG1  THR  93           HG1      THR  93  -4.692  14.544  14.544
  707   1HG2  THR  93          HG23      THR  93  -5.746  11.264  11.264
  708   2HG2  THR  93          HG22      THR  93  -4.300  12.175  12.175
  709   3HG2  THR  93          HG21      THR  93  -5.879  12.960  12.960
  710    H    ALA  94           HN       ALA  94  -3.332  10.312  10.312
  711    HA   ALA  94           HA       ALA  94  -5.049  11.291  11.291
  712   1HB   ALA  94           HB1      ALA  94  -2.455  12.591  12.591
  713   2HB   ALA  94           HB3      ALA  94  -2.870  12.476  12.476
  714   3HB   ALA  94           HB2      ALA  94  -3.941  13.328  13.328
  715    H    SER  95           HN       SER  95  -1.548  10.752  10.752
  716    HA   SER  95           HA       SER  95  -2.041   8.295   8.295
  717   1HB   SER  95           HB2      SER  95  -0.870  10.425  10.425
  718   2HB   SER  95           HB1      SER  95   0.487   9.948   9.948
  719    HG   SER  95           HG       SER  95   0.723   8.105   8.105
  720    HA   PRO  96           HA       PRO  96  -0.014   6.978   6.978
  721   1HB   PRO  96           HB2      PRO  96  -1.669   4.854   4.854
  722   2HB   PRO  96           HB1      PRO  96  -2.017   6.500   6.500
  723   1HG   PRO  96           HG2      PRO  96  -3.102   5.017   5.017
  724   2HG   PRO  96           HG1      PRO  96  -3.923   6.127   6.127
  725   1HD   PRO  96           HD2      PRO  96  -3.088   6.833   6.833
  726   2HD   PRO  96           HD1      PRO  96  -3.261   7.981   7.981
  727    H    LYS  97           HN       LYS  97   0.965   4.753   4.753
  728    HA   LYS  97           HA       LYS  97   1.668   3.458   3.458
  729   1HB   LYS  97           HB2      LYS  97   3.015   3.957   3.957
  730   2HB   LYS  97           HB1      LYS  97   3.546   2.583   2.583
  731   1HG   LYS  97           HG2      LYS  97   3.339   5.431   5.431
  732   2HG   LYS  97           HG1      LYS  97   4.837   4.670   4.670
  733   1HD   LYS  97           HD2      LYS  97   4.257   2.805   2.805
  734   2HD   LYS  97           HD1      LYS  97   3.135   3.982   3.982
  735   1HE   LYS  97           HE2      LYS  97   4.867   5.467   5.467
  736   2HE   LYS  97           HE1      LYS  97   6.021   4.720   4.720
  737   1HZ   LYS  97           HZ2      LYS  97   4.785   3.323   3.323
  738   2HZ   LYS  97           HZ1      LYS  97   6.344   3.999   3.999
  739   3HZ   LYS  97           HZ3      LYS  97   5.990   2.711   2.711
  740    H    GLU  98           HN       GLU  98   1.858   1.078   1.078
  741    HA   GLU  98           HA       GLU  98  -0.026  -0.176  -0.176
  742   1HB   GLU  98           HB2      GLU  98  -0.351  -1.832  -1.832
  743   2HB   GLU  98           HB1      GLU  98  -0.770  -0.185  -0.185
  744   1HG   GLU  98           HG1      GLU  98   0.897  -0.084  -0.084
  745   2HG   GLU  98           HG2      GLU  98   2.060  -0.834  -0.834
  746    H    TYR  99           HN       TYR  99   0.570  -2.212  -2.212
  747    HA   TYR  99           HA       TYR  99   3.489  -2.670  -2.670
  748   1HB   TYR  99           HB2      TYR  99   1.993  -2.548  -2.548
  749   2HB   TYR  99           HB1      TYR  99   1.103  -3.944  -3.944
  750    HD1  TYR  99           HD1      TYR  99   4.757  -3.120  -3.120
  751    HD2  TYR  99           HD2      TYR  99   1.600  -5.840  -5.840
  752    HE1  TYR  99           HE1      TYR  99   6.412  -4.635  -4.635
  753    HE2  TYR  99           HE2      TYR  99   3.259  -7.356  -7.356
  754    HH   TYR  99           HH       TYR  99   6.677  -6.447  -6.447
  755    H    THR 100           HN       THR 100   4.195  -3.842  -3.842
  756    HA   THR 100           HA       THR 100   2.610  -5.869  -5.869
  757    HB   THR 100           HB       THR 100   4.734  -6.237  -6.237
  758    HG1  THR 100           HG1      THR 100   6.379  -6.064  -6.064
  759   1HG2  THR 100          HG22      THR 100   3.922  -3.401  -3.401
  760   2HG2  THR 100          HG21      THR 100   5.174  -3.759  -3.759
  761   3HG2  THR 100          HG23      THR 100   3.532  -4.359  -4.359
  762    H    ALA 101           HN       ALA 101   5.506  -6.094  -6.094
  763    HA   ALA 101           HA       ALA 101   5.648  -8.921  -8.921
  764   1HB   ALA 101           HB1      ALA 101   6.898  -6.662  -6.662
  765   2HB   ALA 101           HB3      ALA 101   6.314  -7.567  -7.567
  766   3HB   ALA 101           HB2      ALA 101   7.388  -8.340  -8.340
  767    H    GLY 102           HN       GLY 102   5.377  -9.816  -9.816
  768   1HA   GLY 102           HA2      GLY 102   3.455  -9.264  -9.264
  769   2HA   GLY 102           HA1      GLY 102   2.447  -9.736  -9.736
  770    H    ARG 103           HN       ARG 103   5.375 -10.966 -10.966
  771    HA   ARG 103           HA       ARG 103   4.101 -13.681 -13.681
  772   1HB   ARG 103           HB1      ARG 103   6.427 -12.714 -12.714
  773   2HB   ARG 103           HB2      ARG 103   6.965 -13.821 -13.821
  774   1HG   ARG 103           HG2      ARG 103   5.463 -15.557 -15.557
  775   2HG   ARG 103           HG1      ARG 103   4.805 -14.449 -14.449
  776   1HD   ARG 103           HD2      ARG 103   7.725 -14.589 -14.589
  777   2HD   ARG 103           HD1      ARG 103   6.956 -16.166 -16.166
  778    HE   ARG 103           HE       ARG 103   5.522 -14.096 -14.096
  779   1HH1  ARG 103          HH21      ARG 103   6.637 -16.929 -16.929
  780   2HH1  ARG 103          HH22      ARG 103   7.585 -16.472 -16.472
  781   1HH2  ARG 103          HH11      ARG 103   7.502 -13.085 -13.085
  782   2HH2  ARG 103          HH12      ARG 103   8.075 -14.296 -14.296
  783    H    GLU 104           HN       GLU 104   6.455 -11.514 -11.514
  784    HA   GLU 104           HA       GLU 104   5.747 -12.561 -12.561
  785   1HB   GLU 104           HB2      GLU 104   8.125 -13.247 -13.247
  786   2HB   GLU 104           HB1      GLU 104   7.337 -14.234 -14.234
  787   1HG   GLU 104           HG1      GLU 104   8.375 -12.828 -12.828
  788   2HG   GLU 104           HG2      GLU 104   9.199 -11.894 -11.894
  789    H    ALA 105           HN       ALA 105   6.934 -11.305 -11.305
  790    HA   ALA 105           HA       ALA 105   6.814  -8.542  -8.542
  791   1HB   ALA 105           HB2      ALA 105   7.218 -10.124 -10.124
  792   2HB   ALA 105           HB1      ALA 105   8.930  -9.915  -9.915
  793   3HB   ALA 105           HB3      ALA 105   7.942  -8.518  -8.518
  794    H    ASP 106           HN       ASP 106   9.435 -10.662 -10.662
  795    HA   ASP 106           HA       ASP 106  11.486  -8.681  -8.681
  796   1HB   ASP 106           HB2      ASP 106  10.981 -11.460 -11.460
  797   2HB   ASP 106           HB1      ASP 106  11.736 -10.709 -10.709
  798    H    ASP 107           HN       ASP 107   8.938  -9.834  -9.834
  799    HA   ASP 107           HA       ASP 107   9.794  -8.329  -8.329
  800   1HB   ASP 107           HB1      ASP 107   7.475  -9.907  -9.907
  801   2HB   ASP 107           HB2      ASP 107   7.087  -8.686  -8.686
  802    H    ILE 108           HN       ILE 108   7.907  -7.569  -7.569
  803    HA   ILE 108           HA       ILE 108   6.634  -5.169  -5.169
  804    HB   ILE 108           HB       ILE 108   7.478  -6.071  -6.071
  805   1HG1  ILE 108          HG12      ILE 108   6.040  -7.685  -7.685
  806   2HG1  ILE 108          HG11      ILE 108   5.226  -7.006  -7.006
  807   1HG2  ILE 108          HG23      ILE 108   6.242  -3.648  -3.648
  808   2HG2  ILE 108          HG22      ILE 108   5.078  -4.556  -4.556
  809   3HG2  ILE 108          HG21      ILE 108   6.639  -4.111  -4.111
  810   1HD1  ILE 108          HD11      ILE 108   4.746  -5.272  -5.272
  811   2HD1  ILE 108          HD13      ILE 108   4.380  -6.924  -6.924
  812   3HD1  ILE 108          HD12      ILE 108   3.577  -6.230  -6.230
  813    H    VAL 109           HN       VAL 109   9.657  -5.739  -5.739
  814    HA   VAL 109           HA       VAL 109  10.367  -2.928  -2.928
  815    HB   VAL 109           HB       VAL 109  11.990  -5.476  -5.476
  816   1HG1  VAL 109          HG23      VAL 109  13.133  -3.127  -3.127
  817   2HG1  VAL 109          HG22      VAL 109  12.611  -2.849  -2.849
  818   3HG1  VAL 109          HG21      VAL 109  13.694  -4.192  -4.192
  819   1HG2  VAL 109          HG11      VAL 109  10.215  -3.880  -3.880
  820   2HG2  VAL 109          HG13      VAL 109  10.353  -5.631  -5.631
  821   3HG2  VAL 109          HG12      VAL 109  11.609  -4.724  -4.724
  822    H    ASN 110           HN       ASN 110  11.312  -5.632  -5.632
  823    HA   ASN 110           HA       ASN 110  13.360  -4.330  -4.330
  824   1HB   ASN 110           HB1      ASN 110  11.370  -6.520  -6.520
  825   2HB   ASN 110           HB2      ASN 110  12.423  -5.987  -5.987
  826   1HD2  ASN 110          HD22      ASN 110  14.555  -8.512  -8.512
  827   2HD2  ASN 110          HD21      ASN 110  13.356  -8.279  -8.279
  828    H    TRP 111           HN       TRP 111   9.842  -4.174  -4.174
  829    HA   TRP 111           HA       TRP 111  10.030  -2.563  -2.563
  830   1HB   TRP 111           HB2      TRP 111   8.187  -4.252  -4.252
  831   2HB   TRP 111           HB1      TRP 111   7.535  -2.709  -2.709
  832    HD1  TRP 111           HD1      TRP 111   8.113  -4.784  -4.784
  833    HE1  TRP 111           HE1      TRP 111   6.998  -3.630  -3.630
  834    HE3  TRP 111           HE3      TRP 111   6.855  -0.310  -0.310
  835    HZ2  TRP 111           HZ2      TRP 111   5.738  -1.141  -1.141
  836    HZ3  TRP 111           HZ3      TRP 111   5.699   1.431   1.431
  837    HH2  TRP 111           HH2      TRP 111   5.140   1.022   1.022
  838    H    LEU 112           HN       LEU 112   9.817  -2.094  -2.094
  839    HA   LEU 112           HA       LEU 112   8.989   0.707   0.707
  840   1HB   LEU 112           HB2      LEU 112   9.351  -1.420  -1.420
  841   2HB   LEU 112           HB1      LEU 112  10.240  -0.009  -0.009
  842    HG   LEU 112           HG       LEU 112   7.920   0.042   0.042
  843   1HD1  LEU 112          HD22      LEU 112   9.241   2.132   2.132
  844   2HD1  LEU 112          HD21      LEU 112   8.021   2.114   2.114
  845   3HD1  LEU 112          HD23      LEU 112   7.533   2.294   2.294
  846   1HD2  LEU 112          HD13      LEU 112   7.398  -0.606  -0.606
  847   2HD2  LEU 112          HD12      LEU 112   6.443  -0.980  -0.980
  848   3HD2  LEU 112          HD11      LEU 112   6.321   0.611   0.611
  849    H    LYS 113           HN       LYS 113  12.038  -1.096  -1.096
  850    HA   LYS 113           HA       LYS 113  13.599   1.393   1.393
  851   1HB   LYS 113           HB2      LYS 113  13.872  -1.458  -1.458
  852   2HB   LYS 113           HB1      LYS 113  15.260  -0.840  -0.840
  853   1HG   LYS 113           HG2      LYS 113  15.887   0.619   0.619
  854   2HG   LYS 113           HG1      LYS 113  14.263   0.668   0.668
  855   1HD   LYS 113           HD2      LYS 113  14.594  -1.823  -1.823
  856   2HD   LYS 113           HD1      LYS 113  16.303  -1.552  -1.552
  857   1HE   LYS 113           HE2      LYS 113  16.433   0.164   0.164
  858   2HE   LYS 113           HE1      LYS 113  14.690   0.017   0.017
  859   1HZ   LYS 113           HZ1      LYS 113  16.569  -2.276  -2.276
  860   2HZ   LYS 113           HZ3      LYS 113  16.134  -1.359  -1.359
  861   3HZ   LYS 113           HZ2      LYS 113  14.948  -2.233  -2.233
  862    H    LYS 114           HN       LYS 114  12.354  -0.379  -0.379
  863    HA   LYS 114           HA       LYS 114  14.528  -0.143  -0.143
  864   1HB   LYS 114           HB2      LYS 114  11.751  -0.974  -0.974
  865   2HB   LYS 114           HB1      LYS 114  12.061  -0.068  -0.068
  866   1HG   LYS 114           HG2      LYS 114  14.175  -2.002  -2.002
  867   2HG   LYS 114           HG1      LYS 114  12.611  -2.739  -2.739
  868   1HD   LYS 114           HD2      LYS 114  13.705  -0.604  -0.604
  869   2HD   LYS 114           HD1      LYS 114  14.250  -2.273  -2.273
  870   1HE   LYS 114           HE2      LYS 114  11.306  -1.888  -1.888
  871   2HE   LYS 114           HE1      LYS 114  12.063  -1.347  -1.347
  872   1HZ   LYS 114           HZ3      LYS 114  13.187  -3.477  -3.477
  873   2HZ   LYS 114           HZ2      LYS 114  12.460  -4.003  -4.003
  874   3HZ   LYS 114           HZ1      LYS 114  11.509  -3.708  -3.708
  875    H    ARG 115           HN       ARG 115  11.557   1.830   1.830
  876    HA   ARG 115           HA       ARG 115  12.278   3.828   3.828
  877   1HB   ARG 115           HB2      ARG 115  10.400   3.638   3.638
  878   2HB   ARG 115           HB1      ARG 115  10.527   5.129   5.129
  879   1HG   ARG 115           HG2      ARG 115  10.101   2.488   2.488
  880   2HG   ARG 115           HG1      ARG 115   8.735   3.377   3.377
  881   1HD   ARG 115           HD2      ARG 115   8.851   5.020   5.020
  882   2HD   ARG 115           HD1      ARG 115  10.625   4.977   4.977
  883    HE   ARG 115           HE       ARG 115   8.831   3.025   3.025
  884   1HH1  ARG 115          HH21      ARG 115  11.702   2.278   2.278
  885   2HH1  ARG 115          HH22      ARG 115  12.579   2.434   2.434
  886   1HH2  ARG 115          HH11      ARG 115  10.045   4.157   4.157
  887   2HH2  ARG 115          HH12      ARG 115  11.641   3.498   3.498
  888    H    THR 116           HN       THR 116  12.853   3.556   3.556
  889    HA   THR 116           HA       THR 116  13.753   6.145   6.145
  890    HB   THR 116           HB       THR 116  15.206   3.734   3.734
  891    HG1  THR 116           HG1      THR 116  13.228   3.434   3.434
  892   1HG2  THR 116          HG23      THR 116  14.336   6.395   6.395
  893   2HG2  THR 116          HG22      THR 116  14.140   5.105   5.105
  894   3HG2  THR 116          HG21      THR 116  15.729   5.433   5.433
  895    H    GLY 117           HN       GLY 117  15.922   3.400   3.400
  896   1HA   GLY 117           HA2      GLY 117  17.485   3.968   3.968
  897   2HA   GLY 117           HA1      GLY 117  17.871   5.408   5.408
  898    HA   PRO 118           HA       PRO 118  20.714   1.925   1.925
  899   1HB   PRO 118           HB1      PRO 118  23.058   3.229   3.229
  900   2HB   PRO 118           HB2      PRO 118  22.194   2.256   2.256
  901   1HG   PRO 118           HG2      PRO 118  22.270   5.212   5.212
  902   2HG   PRO 118           HG1      PRO 118  22.241   4.259   4.259
  903   1HD   PRO 118           HD2      PRO 118  20.051   5.523   5.523
  904   2HD   PRO 118           HD1      PRO 118  19.963   4.080   4.080
  905    H    ALA 119           HN       ALA 119  20.251   2.236   2.236
  906    HA   ALA 119           HA       ALA 119  20.546   3.076   3.076
  907   1HB   ALA 119           HB2      ALA 119  22.883   2.480   2.480
  908   2HB   ALA 119           HB1      ALA 119  23.099   4.207   4.207
  909   3HB   ALA 119           HB3      ALA 119  22.829   3.609   3.609
  910    H    ALA 120           HN       ALA 120  21.938   5.481   5.481
  911    HA   ALA 120           HA       ALA 120  20.156   7.561   7.561
  912   1HB   ALA 120           HB2      ALA 120  20.938   6.846   6.846
  913   2HB   ALA 120           HB1      ALA 120  20.588   8.535   8.535
  914   3HB   ALA 120           HB3      ALA 120  19.357   7.301   7.301

  Start of MODEL   36
    1   1H    ASP   1           HT1      ASP   1  -7.355  10.843  10.843
    2   2H    ASP   1           HT3      ASP   1  -8.065  11.809  11.809
    3   3H    ASP   1           HT2      ASP   1  -6.408  11.963  11.963
    4    HA   ASP   1           HA       ASP   1  -6.546  10.711  10.711
    5   1HB   ASP   1           HB1      ASP   1  -8.934  10.237  10.237
    6   2HB   ASP   1           HB2      ASP   1  -8.069   8.723   8.723
    7    H    ALA   2           HN       ALA   2  -5.418   8.611   8.611
    8    HA   ALA   2           HA       ALA   2  -3.502   8.038   8.038
    9   1HB   ALA   2           HB1      ALA   2  -4.105   7.230   7.230
   10   2HB   ALA   2           HB3      ALA   2  -3.128   6.107   6.107
   11   3HB   ALA   2           HB2      ALA   2  -2.581   7.767   7.767
   12    HA   PRO   3           HA       PRO   3  -6.186   4.952   4.952
   13   1HB   PRO   3           HB2      PRO   3  -4.469   4.215   4.215
   14   2HB   PRO   3           HB1      PRO   3  -5.453   5.691   5.691
   15   1HG   PRO   3           HG2      PRO   3  -2.575   5.349   5.349
   16   2HG   PRO   3           HG1      PRO   3  -3.364   6.629   6.629
   17   1HD   PRO   3           HD1      PRO   3  -2.608   6.915   6.915
   18   2HD   PRO   3           HD2      PRO   3  -3.952   7.811   7.811
   19    H    GLU   4           HN       GLU   4  -5.978   2.558   2.558
   20    HA   GLU   4           HA       GLU   4  -4.589   1.216   1.216
   21   1HB   GLU   4           HB2      GLU   4  -6.572   0.706   0.706
   22   2HB   GLU   4           HB1      GLU   4  -5.296  -0.464  -0.464
   23   1HG   GLU   4           HG2      GLU   4  -5.836  -0.154  -0.154
   24   2HG   GLU   4           HG1      GLU   4  -7.237  -0.726  -0.726
   25    H    GLU   5           HN       GLU   5  -2.952  -0.564  -0.564
   26    HA   GLU   5           HA       GLU   5  -1.308  -0.367  -0.367
   27   1HB   GLU   5           HB1      GLU   5   0.682   0.427   0.427
   28   2HB   GLU   5           HB2      GLU   5  -0.627   1.609   1.609
   29   1HG   GLU   5           HG1      GLU   5  -1.176  -0.006  -0.006
   30   2HG   GLU   5           HG2      GLU   5   0.582   0.137   0.137
   31    H    GLU   6           HN       GLU   6  -0.420  -2.374  -2.374
   32    HA   GLU   6           HA       GLU   6  -0.538  -4.361  -4.361
   33   1HB   GLU   6           HB1      GLU   6  -0.634  -4.290  -4.290
   34   2HB   GLU   6           HB2      GLU   6   0.402  -5.581  -5.581
   35   1HG   GLU   6           HG2      GLU   6  -1.427  -6.366  -6.366
   36   2HG   GLU   6           HG1      GLU   6  -2.465  -5.074  -5.074
   37    H    ASP   7           HN       ASP   7   1.872  -4.326  -4.326
   38    HA   ASP   7           HA       ASP   7   4.027  -4.182  -4.182
   39   1HB   ASP   7           HB2      ASP   7   3.382  -6.057  -6.057
   40   2HB   ASP   7           HB1      ASP   7   5.074  -5.564  -5.564
   41    H    HIS   8           HN       HIS   8   4.587  -1.975  -1.975
   42    HA   HIS   8           HA       HIS   8   5.481  -0.081  -0.081
   43   1HB   HIS   8           HB1      HIS   8   7.130  -2.112  -2.112
   44   2HB   HIS   8           HB2      HIS   8   6.592  -2.029  -2.029
   45    HD1  HIS   8           HD1      HIS   8   8.101  -0.607  -0.607
   46    HD2  HIS   8           HD2      HIS   8   7.819   0.806   0.806
   47    HE1  HIS   8           HE1      HIS   8   9.553   1.465   1.465
   48    H    VAL   9           HN       VAL   9   2.866  -1.332  -1.332
   49    HA   VAL   9           HA       VAL   9   2.701   0.035   0.035
   50    HB   VAL   9           HB       VAL   9   1.817  -2.736  -2.736
   51   1HG1  VAL   9          HG12      VAL   9  -0.030  -1.621  -1.621
   52   2HG1  VAL   9          HG11      VAL   9   1.085  -1.304  -1.304
   53   3HG1  VAL   9          HG13      VAL   9   0.672  -2.964  -2.964
   54   1HG2  VAL   9          HG21      VAL   9   4.161  -2.201  -2.201
   55   2HG2  VAL   9          HG23      VAL   9   3.259  -3.514  -3.514
   56   3HG2  VAL   9          HG22      VAL   9   3.335  -1.932  -1.932
   57    H    LEU  10           HN       LEU  10   0.306   0.532   0.532
   58    HA   LEU  10           HA       LEU  10  -1.447   0.513   0.513
   59   1HB   LEU  10           HB2      LEU  10  -1.627   2.884   2.884
   60   2HB   LEU  10           HB1      LEU  10   0.090   2.531   2.531
   61    HG   LEU  10           HG       LEU  10  -0.259   4.413   4.413
   62   1HD1  LEU  10          HD13      LEU  10   1.030   2.392   2.392
   63   2HD1  LEU  10          HD12      LEU  10  -0.362   2.210   2.210
   64   3HD1  LEU  10          HD11      LEU  10   0.574   3.702   3.702
   65   1HD2  LEU  10          HD23      LEU  10  -2.849   3.378   3.378
   66   2HD2  LEU  10          HD22      LEU  10  -2.215   4.888   4.888
   67   3HD2  LEU  10          HD21      LEU  10  -2.150   3.413   3.413
   68    H    VAL  11           HN       VAL  11  -3.670   0.980   0.980
   69    HA   VAL  11           HA       VAL  11  -4.377   0.350   0.350
   70    HB   VAL  11           HB       VAL  11  -5.319  -0.906  -0.906
   71   1HG1  VAL  11          HG22      VAL  11  -5.626   1.757   1.757
   72   2HG1  VAL  11          HG21      VAL  11  -7.208   0.978   0.978
   73   3HG1  VAL  11          HG23      VAL  11  -5.883   0.219   0.219
   74   1HG2  VAL  11          HG12      VAL  11  -7.009   0.668   0.668
   75   2HG2  VAL  11          HG11      VAL  11  -6.859  -1.080  -1.080
   76   3HG2  VAL  11          HG13      VAL  11  -7.843  -0.154  -0.154
   77    H    LEU  12           HN       LEU  12  -5.779   1.704   1.704
   78    HA   LEU  12           HA       LEU  12  -6.024   4.517   4.517
   79   1HB   LEU  12           HB2      LEU  12  -5.625   3.337   3.337
   80   2HB   LEU  12           HB1      LEU  12  -5.970   5.044   5.044
   81    HG   LEU  12           HG       LEU  12  -3.600   3.503   3.503
   82   1HD1  LEU  12          HD22      LEU  12  -4.067   5.126   5.126
   83   2HD1  LEU  12          HD21      LEU  12  -2.649   5.610   5.610
   84   3HD1  LEU  12          HD23      LEU  12  -2.792   3.955   3.955
   85   1HD2  LEU  12          HD12      LEU  12  -4.647   6.294   6.294
   86   2HD2  LEU  12          HD11      LEU  12  -4.065   5.137   5.137
   87   3HD2  LEU  12          HD13      LEU  12  -2.920   5.960   5.960
   88    H    ARG  13           HN       ARG  13  -7.983   5.675   5.675
   89    HA   ARG  13           HA       ARG  13 -10.178   4.062   4.062
   90   1HB   ARG  13           HB2      ARG  13  -9.923   4.879   4.879
   91   2HB   ARG  13           HB1      ARG  13 -11.526   4.771   4.771
   92   1HG   ARG  13           HG2      ARG  13 -10.692   2.438   2.438
   93   2HG   ARG  13           HG1      ARG  13  -9.495   2.595   2.595
   94   1HD   ARG  13           HD1      ARG  13 -12.497   2.841   2.841
   95   2HD   ARG  13           HD2      ARG  13 -11.537   1.397   1.397
   96    HE   ARG  13           HE       ARG  13 -10.213   2.854   2.854
   97   1HH1  ARG  13          HH11      ARG  13 -13.529   2.941   2.941
   98   2HH1  ARG  13          HH12      ARG  13 -13.717   4.431   4.431
   99   1HH2  ARG  13          HH21      ARG  13 -10.335   5.196   5.196
  100   2HH2  ARG  13          HH22      ARG  13 -11.908   5.708   5.708
  101    H    LYS  14           HN       LYS  14 -12.288   5.532   5.532
  102    HA   LYS  14           HA       LYS  14 -11.974   7.857   7.857
  103   1HB   LYS  14           HB1      LYS  14 -14.009   6.520   6.520
  104   2HB   LYS  14           HB2      LYS  14 -14.281   8.248   8.248
  105   1HG   LYS  14           HG1      LYS  14 -14.753   8.024   8.024
  106   2HG   LYS  14           HG2      LYS  14 -13.494   6.812   6.812
  107   1HD   LYS  14           HD2      LYS  14 -15.186   5.308   5.308
  108   2HD   LYS  14           HD1      LYS  14 -15.312   5.503   5.503
  109   1HE   LYS  14           HE2      LYS  14 -16.887   7.456   7.456
  110   2HE   LYS  14           HE1      LYS  14 -16.907   6.956   6.956
  111   1HZ   LYS  14           HZ3      LYS  14 -17.518   5.176   5.176
  112   2HZ   LYS  14           HZ2      LYS  14 -18.684   5.888   5.888
  113   3HZ   LYS  14           HZ1      LYS  14 -17.590   4.754   4.754
  114    H    SER  15           HN       SER  15 -11.440   7.460   7.460
  115    HA   SER  15           HA       SER  15 -11.754  10.347  10.347
  116   1HB   SER  15           HB1      SER  15 -12.623   8.683   8.683
  117   2HB   SER  15           HB2      SER  15 -11.029   7.943   7.943
  118    HG   SER  15           HG       SER  15 -11.503  10.661  10.661
  119    H    ASN  16           HN       ASN  16  -9.167   8.065   8.065
  120    HA   ASN  16           HA       ASN  16  -7.244  10.302  10.302
  121   1HB   ASN  16           HB1      ASN  16  -5.750   8.707   8.707
  122   2HB   ASN  16           HB2      ASN  16  -7.280   8.956   8.956
  123   1HD2  ASN  16          HD22      ASN  16  -7.358   5.391   5.391
  124   2HD2  ASN  16          HD21      ASN  16  -7.051   6.796   6.796
  125    H    PHE  17           HN       PHE  17  -8.403   8.564   8.564
  126    HA   PHE  17           HA       PHE  17  -6.100   7.148   7.148
  127   1HB   PHE  17           HB1      PHE  17  -8.490   6.733   6.733
  128   2HB   PHE  17           HB2      PHE  17  -8.544   8.314   8.314
  129    HD1  PHE  17           HD2      PHE  17  -6.906   8.780   8.780
  130    HD2  PHE  17           HD1      PHE  17  -7.642   4.841   4.841
  131    HE1  PHE  17           HE2      PHE  17  -5.958   7.791   7.791
  132    HE2  PHE  17           HE1      PHE  17  -6.694   3.851   3.851
  133    HZ   PHE  17           HZ       PHE  17  -5.857   5.323   5.323
  134    H    ALA  18           HN       ALA  18  -7.714  10.110  10.110
  135    HA   ALA  18           HA       ALA  18  -5.606  10.981  10.981
  136   1HB   ALA  18           HB1      ALA  18  -7.794  12.416  12.416
  137   2HB   ALA  18           HB3      ALA  18  -6.781  13.221  13.221
  138   3HB   ALA  18           HB2      ALA  18  -7.832  11.889  11.889
  139    H    GLU  19           HN       GLU  19  -5.888  11.068  11.068
  140    HA   GLU  19           HA       GLU  19  -4.120  13.277  13.277
  141   1HB   GLU  19           HB1      GLU  19  -5.767  12.209  12.209
  142   2HB   GLU  19           HB2      GLU  19  -4.724  10.790  10.790
  143   1HG   GLU  19           HG2      GLU  19  -2.968  11.990  11.990
  144   2HG   GLU  19           HG1      GLU  19  -3.677  13.550  13.550
  145    H    ALA  20           HN       ALA  20  -3.584   9.743   9.743
  146    HA   ALA  20           HA       ALA  20  -0.826   9.716   9.716
  147   1HB   ALA  20           HB2      ALA  20  -2.635   7.847   7.847
  148   2HB   ALA  20           HB1      ALA  20  -2.159   7.828   7.828
  149   3HB   ALA  20           HB3      ALA  20  -0.973   7.463   7.463
  150    H    LEU  21           HN       LEU  21  -2.521  10.065  10.065
  151    HA   LEU  21           HA       LEU  21  -0.178   9.992   9.992
  152   1HB   LEU  21           HB2      LEU  21  -3.045  10.531  10.531
  153   2HB   LEU  21           HB1      LEU  21  -2.109  11.544  11.544
  154    HG   LEU  21           HG       LEU  21  -0.868   9.223   9.223
  155   1HD1  LEU  21          HD12      LEU  21  -2.817   8.372   8.372
  156   2HD1  LEU  21          HD11      LEU  21  -3.568   8.062   8.062
  157   3HD1  LEU  21          HD13      LEU  21  -2.006   7.341   7.341
  158   1HD2  LEU  21          HD22      LEU  21  -2.800  10.806  10.806
  159   2HD2  LEU  21          HD21      LEU  21  -1.780   9.572   9.572
  160   3HD2  LEU  21          HD23      LEU  21  -3.385   9.148   9.148
  161    H    ALA  22           HN       ALA  22  -2.161  12.772  12.772
  162    HA   ALA  22           HA       ALA  22  -0.197  14.726  14.726
  163   1HB   ALA  22           HB1      ALA  22  -2.677  14.777  14.777
  164   2HB   ALA  22           HB3      ALA  22  -1.760  16.235  16.235
  165   3HB   ALA  22           HB2      ALA  22  -2.523  15.311  15.311
  166    H    ALA  23           HN       ALA  23  -0.292  12.644  12.644
  167    HA   ALA  23           HA       ALA  23   1.048  14.499  14.499
  168   1HB   ALA  23           HB1      ALA  23  -0.716  12.923  12.923
  169   2HB   ALA  23           HB3      ALA  23   0.255  11.569  11.569
  170   3HB   ALA  23           HB2      ALA  23   0.822  12.543  12.543
  171    H    HIS  24           HN       HIS  24   1.744  11.448  11.448
  172    HA   HIS  24           HA       HIS  24   4.664  12.042  12.042
  173   1HB   HIS  24           HB1      HIS  24   3.174   9.950   9.950
  174   2HB   HIS  24           HB2      HIS  24   3.919   9.232   9.232
  175    HD1  HIS  24           HD1      HIS  24   6.646  10.181  10.181
  176    HD2  HIS  24           HD2      HIS  24   4.876   9.650   9.650
  177    HE1  HIS  24           HE1      HIS  24   8.541   9.968   9.968
  178    H    LYS  25           HN       LYS  25   5.926  11.804  11.804
  179    HA   LYS  25           HA       LYS  25   4.710  11.969  11.969
  180   1HB   LYS  25           HB1      LYS  25   7.423  11.551  11.551
  181   2HB   LYS  25           HB2      LYS  25   7.226  11.184  11.184
  182   1HG   LYS  25           HG1      LYS  25   6.444  13.407  13.407
  183   2HG   LYS  25           HG2      LYS  25   6.304  13.784  13.784
  184   1HD   LYS  25           HD2      LYS  25   8.349  14.787  14.787
  185   2HD   LYS  25           HD1      LYS  25   8.764  13.516  13.516
  186   1HE   LYS  25           HE2      LYS  25   9.016  11.921  11.921
  187   2HE   LYS  25           HE1      LYS  25   8.777  13.294  13.294
  188   1HZ   LYS  25           HZ1      LYS  25  10.600  14.445  14.445
  189   2HZ   LYS  25           HZ3      LYS  25  10.837  13.135  13.135
  190   3HZ   LYS  25           HZ2      LYS  25  11.133  12.952  12.952
  191    H    TYR  26           HN       TYR  26   7.028   9.349   9.349
  192    HA   TYR  26           HA       TYR  26   5.791   7.525   7.525
  193   1HB   TYR  26           HB1      TYR  26   7.598   7.127   7.127
  194   2HB   TYR  26           HB2      TYR  26   7.278   5.886   5.886
  195    HD1  TYR  26           HD2      TYR  26   7.230   7.457   7.457
  196    HD2  TYR  26           HD1      TYR  26   9.850   7.743   7.743
  197    HE1  TYR  26           HE2      TYR  26   8.999   8.417   8.417
  198    HE2  TYR  26           HE1      TYR  26  11.620   8.703   8.703
  199    HH   TYR  26           HH       TYR  26  11.523   8.571   8.571
  200    H    LEU  27           HN       LEU  27   3.553   7.266   7.266
  201    HA   LEU  27           HA       LEU  27   2.900   6.027   6.027
  202   1HB   LEU  27           HB1      LEU  27   1.970   8.355   8.355
  203   2HB   LEU  27           HB2      LEU  27   0.737   7.198   7.198
  204    HG   LEU  27           HG       LEU  27   0.167   8.191   8.191
  205   1HD1  LEU  27          HD23      LEU  27  -0.128   5.648   5.648
  206   2HD1  LEU  27          HD22      LEU  27   1.038   5.402   5.402
  207   3HD1  LEU  27          HD21      LEU  27  -0.498   6.200   6.200
  208   1HD2  LEU  27          HD12      LEU  27   2.924   8.021   8.021
  209   2HD2  LEU  27          HD11      LEU  27   1.711   8.487   8.487
  210   3HD2  LEU  27          HD13      LEU  27   2.239   6.809   6.809
  211    H    LEU  28           HN       LEU  28   2.615   3.864   3.864
  212    HA   LEU  28           HA       LEU  28   1.467   2.898   2.898
  213   1HB   LEU  28           HB2      LEU  28   3.683   2.061   2.061
  214   2HB   LEU  28           HB1      LEU  28   2.904   1.433   1.433
  215    HG   LEU  28           HG       LEU  28   1.328   0.183   0.183
  216   1HD1  LEU  28          HD13      LEU  28   2.378   1.660   1.660
  217   2HD1  LEU  28          HD12      LEU  28   3.612   0.399   0.399
  218   3HD1  LEU  28          HD11      LEU  28   1.926  -0.016  -0.016
  219   1HD2  LEU  28          HD22      LEU  28   4.267  -0.471  -0.471
  220   2HD2  LEU  28          HD21      LEU  28   2.923  -1.055  -1.055
  221   3HD2  LEU  28          HD23      LEU  28   3.102  -1.605  -1.605
  222    H    VAL  29           HN       VAL  29  -0.514   1.866   1.866
  223    HA   VAL  29           HA       VAL  29  -1.685   0.963   0.963
  224    HB   VAL  29           HB       VAL  29  -2.347   3.268   3.268
  225   1HG1  VAL  29          HG11      VAL  29  -2.216   2.861   2.861
  226   2HG1  VAL  29          HG13      VAL  29  -3.800   3.519   3.519
  227   3HG1  VAL  29          HG12      VAL  29  -2.336   4.381   4.381
  228   1HG2  VAL  29          HG23      VAL  29  -4.169   1.281   1.281
  229   2HG2  VAL  29          HG22      VAL  29  -4.602   2.985   2.985
  230   3HG2  VAL  29          HG21      VAL  29  -4.790   2.159   2.159
  231    H    GLU  30           HN       GLU  30  -3.210  -0.691  -0.691
  232    HA   GLU  30           HA       GLU  30  -3.687  -1.531  -1.531
  233   1HB   GLU  30           HB2      GLU  30  -2.048  -2.957  -2.957
  234   2HB   GLU  30           HB1      GLU  30  -3.028  -3.098  -3.098
  235   1HG   GLU  30           HG1      GLU  30  -4.820  -4.180  -4.180
  236   2HG   GLU  30           HG2      GLU  30  -3.599  -4.265  -4.265
  237    H    PHE  31           HN       PHE  31  -5.736  -2.560  -2.560
  238    HA   PHE  31           HA       PHE  31  -7.826  -1.891  -1.891
  239   1HB   PHE  31           HB1      PHE  31  -7.867  -2.374  -2.374
  240   2HB   PHE  31           HB2      PHE  31  -9.292  -2.010  -2.010
  241    HD1  PHE  31           HD1      PHE  31  -9.623   0.211   0.211
  242    HD2  PHE  31           HD2      PHE  31  -6.155  -0.690  -0.690
  243    HE1  PHE  31           HE1      PHE  31  -9.113   2.632   2.632
  244    HE2  PHE  31           HE2      PHE  31  -5.646   1.729   1.729
  245    HZ   PHE  31           HZ       PHE  31  -7.125   3.391   3.391
  246    H    TYR  32           HN       TYR  32  -8.413  -3.688  -3.688
  247    HA   TYR  32           HA       TYR  32  -8.846  -6.243  -6.243
  248   1HB   TYR  32           HB2      TYR  32  -7.570  -7.460  -7.460
  249   2HB   TYR  32           HB1      TYR  32  -6.580  -6.085  -6.085
  250    HD1  TYR  32           HD2      TYR  32  -6.428  -4.068  -4.068
  251    HD2  TYR  32           HD1      TYR  32  -8.404  -7.682  -7.682
  252    HE1  TYR  32           HE2      TYR  32  -6.339  -3.323  -3.323
  253    HE2  TYR  32           HE1      TYR  32  -8.314  -6.939  -6.939
  254    HH   TYR  32           HH       TYR  32  -8.145  -4.365  -4.365
  255    H    ALA  33           HN       ALA  33 -10.099  -7.834  -7.834
  256    HA   ALA  33           HA       ALA  33 -12.053  -6.270  -6.270
  257   1HB   ALA  33           HB3      ALA  33 -12.370  -8.600  -8.600
  258   2HB   ALA  33           HB2      ALA  33 -13.644  -8.115  -8.115
  259   3HB   ALA  33           HB1      ALA  33 -13.093  -6.996  -6.996
  260    HA   PRO  34           HA       PRO  34 -11.103  -9.035  -9.035
  261   1HB   PRO  34           HB1      PRO  34 -13.544  -9.365  -9.365
  262   2HB   PRO  34           HB2      PRO  34 -12.590  -7.875  -7.875
  263   1HG   PRO  34           HG2      PRO  34 -14.908  -8.500  -8.500
  264   2HG   PRO  34           HG1      PRO  34 -14.539  -7.011  -7.011
  265   1HD   PRO  34           HD1      PRO  34 -14.073  -7.294  -7.294
  266   2HD   PRO  34           HD2      PRO  34 -13.087  -6.253  -6.253
  267    H    TRP  35           HN       TRP  35 -13.410  -9.916  -9.916
  268    HA   TRP  35           HA       TRP  35 -13.410 -12.760 -12.760
  269   1HB   TRP  35           HB1      TRP  35 -15.325 -12.941 -12.941
  270   2HB   TRP  35           HB2      TRP  35 -15.571 -11.634 -11.634
  271    HD1  TRP  35           HD1      TRP  35 -15.739  -9.213  -9.213
  272    HE1  TRP  35           HE1      TRP  35 -15.744  -8.179  -8.179
  273    HE3  TRP  35           HE3      TRP  35 -14.279 -13.266 -13.266
  274    HZ2  TRP  35           HZ2      TRP  35 -15.199  -8.966  -8.966
  275    HZ3  TRP  35           HZ3      TRP  35 -14.030 -13.096 -13.096
  276    HH2  TRP  35           HH2      TRP  35 -14.488 -10.952 -10.952
  277    H    CYS  36           HN       CYS  36 -11.911 -10.671 -10.671
  278    HA   CYS  36           HA       CYS  36 -11.640 -12.254 -12.254
  279   1HB   CYS  36           HB2      CYS  36 -10.854  -9.932  -9.932
  280   2HB   CYS  36           HB1      CYS  36  -9.610 -10.492 -10.492
  281    H    GLY  37           HN       GLY  37 -10.420 -14.083 -14.083
  282   1HA   GLY  37           HA1      GLY  37  -9.082 -15.422 -15.422
  283   2HA   GLY  37           HA2      GLY  37  -9.545 -16.195 -16.195
  284    H    HIS  38           HN       HIS  38  -8.365 -14.149 -14.149
  285    HA   HIS  38           HA       HIS  38  -5.582 -15.104 -15.104
  286   1HB   HIS  38           HB2      HIS  38  -7.096 -14.875 -14.875
  287   2HB   HIS  38           HB1      HIS  38  -6.881 -13.131 -13.131
  288    HD1  HIS  38           HD1      HIS  38  -5.774 -14.100 -14.100
  289    HD2  HIS  38           HD2      HIS  38  -3.544 -14.356 -14.356
  290    HE1  HIS  38           HE1      HIS  38  -3.349 -14.291 -14.291
  291    H    CYS  39           HN       CYS  39  -7.063 -12.698 -12.698
  292    HA   CYS  39           HA       CYS  39  -4.963 -10.641 -10.641
  293   1HB   CYS  39           HB2      CYS  39  -7.513 -10.749 -10.749
  294   2HB   CYS  39           HB1      CYS  39  -6.470  -9.331  -9.331
  295    H    LYS  40           HN       LYS  40  -5.783 -13.212 -13.212
  296    HA   LYS  40           HA       LYS  40  -4.206 -12.118 -12.118
  297   1HB   LYS  40           HB2      LYS  40  -4.938 -14.169 -14.169
  298   2HB   LYS  40           HB1      LYS  40  -6.310 -13.453 -13.453
  299   1HG   LYS  40           HG1      LYS  40  -6.491 -15.678 -15.678
  300   2HG   LYS  40           HG2      LYS  40  -5.522 -15.020 -15.020
  301   1HD   LYS  40           HD2      LYS  40  -3.828 -16.396 -16.396
  302   2HD   LYS  40           HD1      LYS  40  -3.787 -15.778 -15.778
  303   1HE   LYS  40           HE2      LYS  40  -4.262 -18.092 -18.092
  304   2HE   LYS  40           HE1      LYS  40  -5.862 -17.329 -17.329
  305   1HZ   LYS  40           HZ1      LYS  40  -4.676 -18.230 -18.230
  306   2HZ   LYS  40           HZ3      LYS  40  -5.663 -19.236 -19.236
  307   3HZ   LYS  40           HZ2      LYS  40  -6.289 -17.791 -17.791
  308    H    ALA  41           HN       ALA  41  -3.788 -14.316 -14.316
  309    HA   ALA  41           HA       ALA  41  -1.574 -15.852 -15.852
  310   1HB   ALA  41           HB3      ALA  41  -2.955 -15.131 -15.131
  311   2HB   ALA  41           HB2      ALA  41  -1.216 -15.155 -15.155
  312   3HB   ALA  41           HB1      ALA  41  -2.023 -16.588 -16.588
  313    H    LEU  42           HN       LEU  42  -1.766 -12.488 -12.488
  314    HA   LEU  42           HA       LEU  42   1.215 -12.256 -12.256
  315   1HB   LEU  42           HB1      LEU  42  -0.321 -11.537 -11.537
  316   2HB   LEU  42           HB2      LEU  42  -0.693 -10.145 -10.145
  317    HG   LEU  42           HG       LEU  42   1.901  -9.959  -9.959
  318   1HD1  LEU  42          HD11      LEU  42   2.328 -12.161 -12.161
  319   2HD1  LEU  42          HD13      LEU  42   1.692 -11.494 -11.494
  320   3HD1  LEU  42          HD12      LEU  42   3.162 -10.826 -10.826
  321   1HD2  LEU  42          HD22      LEU  42   0.310  -9.266  -9.266
  322   2HD2  LEU  42          HD21      LEU  42   0.731  -8.219  -8.219
  323   3HD2  LEU  42          HD23      LEU  42   1.976  -8.730  -8.730
  324    H    ALA  43           HN       ALA  43  -1.557 -11.727 -11.727
  325    HA   ALA  43           HA       ALA  43  -1.270  -9.239  -9.239
  326   1HB   ALA  43           HB1      ALA  43  -2.452 -11.818 -11.818
  327   2HB   ALA  43           HB3      ALA  43  -1.805 -11.160 -11.160
  328   3HB   ALA  43           HB2      ALA  43  -2.980 -10.235 -10.235
  329    HA   PRO  44           HA       PRO  44   1.950 -10.987 -10.987
  330   1HB   PRO  44           HB2      PRO  44   2.991 -13.478 -13.478
  331   2HB   PRO  44           HB1      PRO  44   1.546 -13.196 -13.196
  332   1HG   PRO  44           HG2      PRO  44   1.770 -14.115 -14.115
  333   2HG   PRO  44           HG1      PRO  44   0.641 -14.623 -14.623
  334   1HD   PRO  44           HD1      PRO  44  -0.011 -12.894 -12.894
  335   2HD   PRO  44           HD2      PRO  44  -0.805 -12.904 -12.904
  336    H    GLU  45           HN       GLU  45   2.139 -11.165 -11.165
  337    HA   GLU  45           HA       GLU  45   5.105 -11.143 -11.143
  338   1HB   GLU  45           HB2      GLU  45   2.942 -11.027 -11.027
  339   2HB   GLU  45           HB1      GLU  45   4.667 -11.204 -11.204
  340   1HG   GLU  45           HG1      GLU  45   2.976 -13.142 -13.142
  341   2HG   GLU  45           HG2      GLU  45   3.514 -13.393 -13.393
  342    H    TYR  46           HN       TYR  46   2.287  -9.094  -9.094
  343    HA   TYR  46           HA       TYR  46   3.815  -6.786  -6.786
  344   1HB   TYR  46           HB2      TYR  46   1.672  -6.757  -6.757
  345   2HB   TYR  46           HB1      TYR  46   1.016  -7.638  -7.638
  346    HD1  TYR  46           HD1      TYR  46   0.277  -6.450  -6.450
  347    HD2  TYR  46           HD2      TYR  46   1.815  -4.331  -4.331
  348    HE1  TYR  46           HE1      TYR  46  -0.609  -4.327  -4.327
  349    HE2  TYR  46           HE2      TYR  46   0.934  -2.214  -2.214
  350    HH   TYR  46           HH       TYR  46   0.215  -1.248  -1.248
  351    H    ALA  47           HN       ALA  47   2.824  -8.114  -8.114
  352    HA   ALA  47           HA       ALA  47   3.213  -5.587  -5.587
  353   1HB   ALA  47           HB1      ALA  47   1.823  -7.986  -7.986
  354   2HB   ALA  47           HB3      ALA  47   3.119  -8.069  -8.069
  355   3HB   ALA  47           HB2      ALA  47   1.996  -6.709  -6.709
  356    H    LYS  48           HN       LYS  48   5.090  -8.395  -8.395
  357    HA   LYS  48           HA       LYS  48   7.161  -7.971  -7.971
  358   1HB   LYS  48           HB2      LYS  48   6.299  -9.980  -9.980
  359   2HB   LYS  48           HB1      LYS  48   7.985  -9.614  -9.614
  360   1HG   LYS  48           HG2      LYS  48   8.637 -10.785 -10.785
  361   2HG   LYS  48           HG1      LYS  48   7.696  -9.717  -9.717
  362   1HD   LYS  48           HD2      LYS  48   6.732 -11.814 -11.814
  363   2HD   LYS  48           HD1      LYS  48   5.658 -11.142 -11.142
  364   1HE   LYS  48           HE2      LYS  48   7.022 -12.338 -12.338
  365   2HE   LYS  48           HE1      LYS  48   7.900 -13.142 -13.142
  366   1HZ   LYS  48           HZ3      LYS  48   4.940 -13.109 -13.109
  367   2HZ   LYS  48           HZ2      LYS  48   5.890 -14.365 -14.365
  368   3HZ   LYS  48           HZ1      LYS  48   5.900 -14.055 -14.055
  369    H    ALA  49           HN       ALA  49   6.671  -7.236  -7.236
  370    HA   ALA  49           HA       ALA  49   9.294  -6.444  -6.444
  371   1HB   ALA  49           HB2      ALA  49   6.725  -6.471  -6.471
  372   2HB   ALA  49           HB1      ALA  49   7.169  -4.764  -4.764
  373   3HB   ALA  49           HB3      ALA  49   8.191  -5.945  -5.945
  374    H    ALA  50           HN       ALA  50   6.834  -4.774  -4.774
  375    HA   ALA  50           HA       ALA  50   7.977  -2.134  -2.134
  376   1HB   ALA  50           HB1      ALA  50   5.657  -2.739  -2.739
  377   2HB   ALA  50           HB3      ALA  50   6.307  -3.497  -3.497
  378   3HB   ALA  50           HB2      ALA  50   6.469  -1.757  -1.757
  379    H    GLY  51           HN       GLY  51   8.722  -5.004  -5.004
  380   1HA   GLY  51           HA2      GLY  51  10.224  -3.645  -3.645
  381   2HA   GLY  51           HA1      GLY  51  10.292  -5.372  -5.372
  382    H    LYS  52           HN       LYS  52  10.953  -4.879  -4.879
  383    HA   LYS  52           HA       LYS  52  13.818  -4.882  -4.882
  384   1HB   LYS  52           HB2      LYS  52  11.710  -4.833  -4.833
  385   2HB   LYS  52           HB1      LYS  52  13.362  -4.454  -4.454
  386   1HG   LYS  52           HG2      LYS  52  13.704  -6.658  -6.658
  387   2HG   LYS  52           HG1      LYS  52  12.199  -7.027  -7.027
  388   1HD   LYS  52           HD2      LYS  52  13.258  -6.701  -6.701
  389   2HD   LYS  52           HD1      LYS  52  14.738  -6.127  -6.127
  390   1HE   LYS  52           HE2      LYS  52  13.879  -8.765  -8.765
  391   2HE   LYS  52           HE1      LYS  52  14.288  -8.746  -8.746
  392   1HZ   LYS  52           HZ2      LYS  52  16.296  -7.425  -7.425
  393   2HZ   LYS  52           HZ1      LYS  52  15.951  -7.778  -7.778
  394   3HZ   LYS  52           HZ3      LYS  52  16.313  -9.034  -9.034
  395    H    LEU  53           HN       LEU  53  11.573  -2.283  -2.283
  396    HA   LEU  53           HA       LEU  53  13.509  -0.339  -0.339
  397   1HB   LEU  53           HB2      LEU  53  10.795   0.274   0.274
  398   2HB   LEU  53           HB1      LEU  53  11.645   1.131   1.131
  399    HG   LEU  53           HG       LEU  53  10.486  -1.661  -1.661
  400   1HD1  LEU  53          HD23      LEU  53   9.493   1.069   1.069
  401   2HD1  LEU  53          HD22      LEU  53   9.120  -0.257  -0.257
  402   3HD1  LEU  53          HD21      LEU  53   8.596  -0.334  -0.334
  403   1HD2  LEU  53          HD12      LEU  53  12.392  -0.132  -0.132
  404   2HD2  LEU  53          HD11      LEU  53  11.959  -1.839  -1.839
  405   3HD2  LEU  53          HD13      LEU  53  10.981  -0.630  -0.630
  406    H    LYS  54           HN       LYS  54  11.724  -1.002  -1.002
  407    HA   LYS  54           HA       LYS  54  12.558   1.098   1.098
  408   1HB   LYS  54           HB2      LYS  54  10.947  -0.676  -0.676
  409   2HB   LYS  54           HB1      LYS  54  12.258  -1.855  -1.855
  410   1HG   LYS  54           HG2      LYS  54  13.069  -1.059  -1.059
  411   2HG   LYS  54           HG1      LYS  54  12.567   0.599   0.599
  412   1HD   LYS  54           HD2      LYS  54  10.949   0.111   0.111
  413   2HD   LYS  54           HD1      LYS  54  10.140  -0.582  -0.582
  414   1HE   LYS  54           HE2      LYS  54  10.696  -2.784  -2.784
  415   2HE   LYS  54           HE1      LYS  54  12.048  -2.262  -2.262
  416   1HZ   LYS  54           HZ3      LYS  54  10.472  -1.185  -1.185
  417   2HZ   LYS  54           HZ2      LYS  54   9.174  -1.693  -1.693
  418   3HZ   LYS  54           HZ1      LYS  54  10.113  -2.837  -2.837
  419    H    ALA  55           HN       ALA  55  14.425  -1.677  -1.677
  420    HA   ALA  55           HA       ALA  55  16.606  -1.380  -1.380
  421   1HB   ALA  55           HB3      ALA  55  15.809  -3.016  -3.016
  422   2HB   ALA  55           HB2      ALA  55  17.531  -2.642  -2.642
  423   3HB   ALA  55           HB1      ALA  55  16.841  -3.440  -3.440
  424    H    GLU  56           HN       GLU  56  15.800   0.046   0.046
  425    HA   GLU  56           HA       GLU  56  18.482   1.360   1.360
  426   1HB   GLU  56           HB2      GLU  56  16.222   0.944   0.944
  427   2HB   GLU  56           HB1      GLU  56  17.673   1.877   1.877
  428   1HG   GLU  56           HG2      GLU  56  18.935  -0.268  -0.268
  429   2HG   GLU  56           HG1      GLU  56  17.399  -1.075  -1.075
  430    H    GLY  57           HN       GLY  57  15.055   1.968   1.968
  431   1HA   GLY  57           HA1      GLY  57  14.118   3.933   3.933
  432   2HA   GLY  57           HA2      GLY  57  15.659   4.757   4.757
  433    H    SER  58           HN       SER  58  13.943   2.973   2.973
  434    HA   SER  58           HA       SER  58  14.149   5.100   5.100
  435   1HB   SER  58           HB2      SER  58  12.036   2.954   2.954
  436   2HB   SER  58           HB1      SER  58  13.015   3.583   3.583
  437    HG   SER  58           HG       SER  58  14.843   2.657   2.657
  438    H    GLU  59           HN       GLU  59  12.336   6.357   6.357
  439    HA   GLU  59           HA       GLU  59  10.384   7.162   7.162
  440   1HB   GLU  59           HB2      GLU  59  10.215   9.182   9.182
  441   2HB   GLU  59           HB1      GLU  59  11.877   8.855   8.855
  442   1HG   GLU  59           HG2      GLU  59  12.510   8.272   8.272
  443   2HG   GLU  59           HG1      GLU  59  10.932   7.587   7.587
  444    H    ILE  60           HN       ILE  60  10.289   4.836   4.836
  445    HA   ILE  60           HA       ILE  60   7.922   5.568   5.568
  446    HB   ILE  60           HB       ILE  60   8.218   3.315   3.315
  447   1HG1  ILE  60          HG11      ILE  60  10.191   2.945   2.945
  448   2HG1  ILE  60          HG12      ILE  60   8.643   2.125   2.125
  449   1HG2  ILE  60          HG22      ILE  60   9.974   5.324   5.324
  450   2HG2  ILE  60          HG21      ILE  60  11.056   4.125   4.125
  451   3HG2  ILE  60          HG23      ILE  60  10.192   3.760   3.760
  452   1HD1  ILE  60          HD13      ILE  60  10.264   1.844   1.844
  453   2HD1  ILE  60          HD12      ILE  60  11.116   1.246   1.246
  454   3HD1  ILE  60          HD11      ILE  60   9.531   0.593   0.593
  455    H    ARG  61           HN       ARG  61   5.815   5.169   5.169
  456    HA   ARG  61           HA       ARG  61   5.413   3.675   3.675
  457   1HB   ARG  61           HB2      ARG  61   3.896   5.823   5.823
  458   2HB   ARG  61           HB1      ARG  61   3.204   4.974   4.974
  459   1HG   ARG  61           HG2      ARG  61   5.909   5.880   5.880
  460   2HG   ARG  61           HG1      ARG  61   4.869   7.224   7.224
  461   1HD   ARG  61           HD2      ARG  61   3.684   7.108   7.108
  462   2HD   ARG  61           HD1      ARG  61   3.559   5.339   5.339
  463    HE   ARG  61           HE       ARG  61   5.829   5.196   5.196
  464   1HH1  ARG  61          HH21      ARG  61   7.584   7.091   7.091
  465   2HH1  ARG  61          HH22      ARG  61   7.179   8.287   8.287
  466   1HH2  ARG  61          HH11      ARG  61   3.884   7.256   7.256
  467   2HH2  ARG  61          HH12      ARG  61   5.084   8.380   8.380
  468    H    LEU  62           HN       LEU  62   3.968   1.951   1.951
  469    HA   LEU  62           HA       LEU  62   2.762   1.074   1.074
  470   1HB   LEU  62           HB2      LEU  62   3.690  -0.593  -0.593
  471   2HB   LEU  62           HB1      LEU  62   3.170  -1.201  -1.201
  472    HG   LEU  62           HG       LEU  62   5.605   0.532   0.532
  473   1HD1  LEU  62          HD21      LEU  62   5.153  -2.313  -2.313
  474   2HD1  LEU  62          HD23      LEU  62   6.228  -1.905  -1.905
  475   3HD1  LEU  62          HD22      LEU  62   6.649  -1.433  -1.433
  476   1HD2  LEU  62          HD12      LEU  62   4.046   0.058   0.058
  477   2HD2  LEU  62          HD11      LEU  62   5.444   1.109   1.109
  478   3HD2  LEU  62          HD13      LEU  62   5.674  -0.591  -0.591
  479    H    ALA  63           HN       ALA  63   0.533   0.552   0.552
  480    HA   ALA  63           HA       ALA  63  -0.753   0.277   0.277
  481   1HB   ALA  63           HB2      ALA  63  -0.474   2.733   2.733
  482   2HB   ALA  63           HB1      ALA  63  -1.692   2.391   2.391
  483   3HB   ALA  63           HB3      ALA  63  -2.092   2.225   2.225
  484    H    LYS  64           HN       LYS  64  -3.196  -0.013  -0.013
  485    HA   LYS  64           HA       LYS  64  -3.995  -1.185  -1.185
  486   1HB   LYS  64           HB2      LYS  64  -4.558  -3.319  -3.319
  487   2HB   LYS  64           HB1      LYS  64  -2.852  -2.952  -2.952
  488   1HG   LYS  64           HG2      LYS  64  -3.296  -2.117  -2.117
  489   2HG   LYS  64           HG1      LYS  64  -5.033  -2.302  -2.302
  490   1HD   LYS  64           HD2      LYS  64  -4.757  -4.735  -4.735
  491   2HD   LYS  64           HD1      LYS  64  -3.012  -4.565  -4.565
  492   1HE   LYS  64           HE1      LYS  64  -3.533  -3.446  -3.446
  493   2HE   LYS  64           HE2      LYS  64  -5.183  -4.066  -4.066
  494   1HZ   LYS  64           HZ1      LYS  64  -4.152  -6.275  -6.275
  495   2HZ   LYS  64           HZ3      LYS  64  -2.653  -5.630  -5.630
  496   3HZ   LYS  64           HZ2      LYS  64  -3.916  -5.732  -5.732
  497    H    VAL  65           HN       VAL  65  -6.313  -1.273  -1.273
  498    HA   VAL  65           HA       VAL  65  -7.830  -0.023  -0.023
  499    HB   VAL  65           HB       VAL  65  -7.500   1.641   1.641
  500   1HG1  VAL  65          HG21      VAL  65  -8.300  -0.562  -0.562
  501   2HG1  VAL  65          HG23      VAL  65  -8.234   1.135   1.135
  502   3HG1  VAL  65          HG22      VAL  65  -6.767   0.308   0.308
  503   1HG2  VAL  65          HG12      VAL  65 -10.233   0.363   0.363
  504   2HG2  VAL  65          HG11      VAL  65  -9.800   1.541   1.541
  505   3HG2  VAL  65          HG13      VAL  65  -9.810   2.013   2.013
  506    H    ASP  66           HN       ASP  66 -10.146  -0.570  -0.570
  507    HA   ASP  66           HA       ASP  66 -10.606  -3.341  -3.341
  508   1HB   ASP  66           HB1      ASP  66 -11.823  -1.552  -1.552
  509   2HB   ASP  66           HB2      ASP  66 -12.583  -3.071  -3.071
  510    H    ALA  67           HN       ALA  67 -11.237  -2.995  -2.995
  511    HA   ALA  67           HA       ALA  67 -12.857  -0.967  -0.967
  512   1HB   ALA  67           HB3      ALA  67 -11.596  -2.900  -2.900
  513   2HB   ALA  67           HB2      ALA  67 -13.004  -3.898  -3.898
  514   3HB   ALA  67           HB1      ALA  67 -13.164  -2.503  -2.503
  515    H    THR  68           HN       THR  68 -13.753  -3.676  -3.676
  516    HA   THR  68           HA       THR  68 -16.638  -3.410  -3.410
  517    HB   THR  68           HB       THR  68 -16.751  -5.236  -5.236
  518    HG1  THR  68           HG1      THR  68 -15.066  -4.414  -4.414
  519   1HG2  THR  68          HG22      THR  68 -16.108  -5.714  -5.714
  520   2HG2  THR  68          HG21      THR  68 -14.414  -5.611  -5.611
  521   3HG2  THR  68          HG23      THR  68 -15.441  -6.879  -6.879
  522    H    GLU  69           HN       GLU  69 -14.296  -1.973  -1.973
  523    HA   GLU  69           HA       GLU  69 -16.303  -1.254  -1.254
  524   1HB   GLU  69           HB2      GLU  69 -13.791  -1.953  -1.953
  525   2HB   GLU  69           HB1      GLU  69 -13.452  -0.287  -0.287
  526   1HG   GLU  69           HG1      GLU  69 -14.425   0.590   0.590
  527   2HG   GLU  69           HG2      GLU  69 -15.509  -0.785  -0.785
  528    H    GLU  70           HN       GLU  70 -14.091   0.365   0.365
  529    HA   GLU  70           HA       GLU  70 -15.767   2.819   2.819
  530   1HB   GLU  70           HB1      GLU  70 -13.802   3.972   3.972
  531   2HB   GLU  70           HB2      GLU  70 -13.375   3.022   3.022
  532   1HG   GLU  70           HG2      GLU  70 -13.125   1.702   1.702
  533   2HG   GLU  70           HG1      GLU  70 -11.919   2.906   2.906
  534    H    SER  71           HN       SER  71 -14.254   0.854   0.854
  535    HA   SER  71           HA       SER  71 -14.864   0.584   0.584
  536   1HB   SER  71           HB2      SER  71 -16.917   0.023   0.023
  537   2HB   SER  71           HB1      SER  71 -17.687   1.119   1.119
  538    HG   SER  71           HG       SER  71 -17.027  -0.233  -0.233
  539    H    ASP  72           HN       ASP  72 -14.702   3.551   3.551
  540    HA   ASP  72           HA       ASP  72 -16.281   4.845   4.845
  541   1HB   ASP  72           HB2      ASP  72 -16.386   5.387   5.387
  542   2HB   ASP  72           HB1      ASP  72 -14.894   6.270   6.270
  543    H    LEU  73           HN       LEU  73 -13.095   4.666   4.666
  544    HA   LEU  73           HA       LEU  73 -11.801   6.410   6.410
  545   1HB   LEU  73           HB2      LEU  73 -10.603   4.395   4.395
  546   2HB   LEU  73           HB1      LEU  73  -9.799   5.801   5.801
  547    HG   LEU  73           HG       LEU  73 -12.272   6.549   6.549
  548   1HD1  LEU  73          HD13      LEU  73 -10.837   4.466   4.466
  549   2HD1  LEU  73          HD12      LEU  73 -10.392   5.942   5.942
  550   3HD1  LEU  73          HD11      LEU  73 -12.087   5.479   5.479
  551   1HD2  LEU  73          HD21      LEU  73  -9.418   7.355   7.355
  552   2HD2  LEU  73          HD23      LEU  73 -10.875   8.345   8.345
  553   3HD2  LEU  73          HD22      LEU  73 -10.277   7.812   7.812
  554    H    ALA  74           HN       ALA  74 -12.526   2.994   2.994
  555    HA   ALA  74           HA       ALA  74 -10.561   2.088   2.088
  556   1HB   ALA  74           HB1      ALA  74 -11.872   0.855   0.855
  557   2HB   ALA  74           HB3      ALA  74 -13.140   0.697   0.697
  558   3HB   ALA  74           HB2      ALA  74 -11.550  -0.008  -0.008
  559    H    GLN  75           HN       GLN  75 -14.055   2.813   2.813
  560    HA   GLN  75           HA       GLN  75 -14.509   2.148   2.148
  561   1HB   GLN  75           HB2      GLN  75 -16.202   2.530   2.530
  562   2HB   GLN  75           HB1      GLN  75 -15.844   4.255   4.255
  563   1HG   GLN  75           HG2      GLN  75 -16.496   4.253   4.253
  564   2HG   GLN  75           HG1      GLN  75 -16.902   2.541   2.541
  565   1HE2  GLN  75          HE22      GLN  75 -19.597   3.435   3.435
  566   2HE2  GLN  75          HE21      GLN  75 -18.180   2.503   2.503
  567    H    GLN  76           HN       GLN  76 -13.024   4.913   4.913
  568    HA   GLN  76           HA       GLN  76 -13.347   6.802   6.802
  569   1HB   GLN  76           HB2      GLN  76 -11.628   6.463   6.463
  570   2HB   GLN  76           HB1      GLN  76 -11.245   7.744   7.744
  571   1HG   GLN  76           HG1      GLN  76 -14.104   7.577   7.577
  572   2HG   GLN  76           HG2      GLN  76 -13.093   7.944   7.944
  573   1HE2  GLN  76          HE22      GLN  76 -12.720  11.291  11.291
  574   2HE2  GLN  76          HE21      GLN  76 -12.784  10.155  10.155
  575    H    TYR  77           HN       TYR  77 -10.846   4.428   4.428
  576    HA   TYR  77           HA       TYR  77  -9.189   5.205   5.205
  577   1HB   TYR  77           HB1      TYR  77  -8.979   3.127   3.127
  578   2HB   TYR  77           HB2      TYR  77  -7.736   3.388   3.388
  579    HD1  TYR  77           HD2      TYR  77  -7.668   6.272   6.272
  580    HD2  TYR  77           HD1      TYR  77  -8.163   3.971   3.971
  581    HE1  TYR  77           HE2      TYR  77  -6.758   8.155   8.155
  582    HE2  TYR  77           HE1      TYR  77  -7.253   5.856   5.856
  583    HH   TYR  77           HH       TYR  77  -5.641   8.486   8.486
  584    H    GLY  78           HN       GLY  78 -11.396   2.649   2.649
  585   1HA   GLY  78           HA1      GLY  78 -12.593   1.644   1.644
  586   2HA   GLY  78           HA2      GLY  78 -10.966   1.292   1.292
  587    H    VAL  79           HN       VAL  79  -9.590   0.071   0.071
  588    HA   VAL  79           HA       VAL  79  -9.315  -1.998  -1.998
  589    HB   VAL  79           HB       VAL  79 -11.805  -0.801  -0.801
  590   1HG1  VAL  79          HG11      VAL  79 -10.276  -3.268  -3.268
  591   2HG1  VAL  79          HG13      VAL  79 -10.612  -2.245  -2.245
  592   3HG1  VAL  79          HG12      VAL  79 -11.941  -2.852  -2.852
  593   1HG2  VAL  79          HG22      VAL  79  -8.917  -0.289  -0.289
  594   2HG2  VAL  79          HG21      VAL  79 -10.267   0.735   0.735
  595   3HG2  VAL  79          HG23      VAL  79  -9.681  -0.522  -0.522
  596    H    ARG  80           HN       ARG  80  -9.742  -3.479  -3.479
  597    HA   ARG  80           HA       ARG  80 -12.563  -4.346  -4.346
  598   1HB   ARG  80           HB1      ARG  80 -10.058  -4.219  -4.219
  599   2HB   ARG  80           HB2      ARG  80 -10.943  -5.727  -5.727
  600   1HG   ARG  80           HG2      ARG  80 -12.383  -3.084  -3.084
  601   2HG   ARG  80           HG1      ARG  80 -11.521  -3.694  -3.694
  602   1HD   ARG  80           HD2      ARG  80 -13.049  -5.365  -5.365
  603   2HD   ARG  80           HD1      ARG  80 -13.296  -5.652  -5.652
  604    HE   ARG  80           HE       ARG  80 -14.279  -3.043  -3.043
  605   1HH1  ARG  80          HH11      ARG  80 -15.970  -4.096  -4.096
  606   2HH1  ARG  80          HH12      ARG  80 -17.238  -4.914  -4.914
  607   1HH2  ARG  80          HH21      ARG  80 -15.480  -5.105  -5.105
  608   2HH2  ARG  80          HH22      ARG  80 -16.962  -5.486  -5.486
  609    H    GLY  81           HN       GLY  81 -11.895  -5.239  -5.239
  610   1HA   GLY  81           HA2      GLY  81 -12.269  -7.501  -7.501
  611   2HA   GLY  81           HA1      GLY  81 -11.310  -8.128  -8.128
  612    H    TYR  82           HN       TYR  82 -11.010  -8.354  -8.354
  613    HA   TYR  82           HA       TYR  82  -8.409  -7.002  -7.002
  614   1HB   TYR  82           HB1      TYR  82  -9.913  -8.852  -8.852
  615   2HB   TYR  82           HB2      TYR  82  -8.817  -7.546  -7.546
  616    HD1  TYR  82           HD1      TYR  82  -9.681  -5.249  -5.249
  617    HD2  TYR  82           HD2      TYR  82 -12.081  -8.353  -8.353
  618    HE1  TYR  82           HE1      TYR  82 -11.586  -3.673  -3.673
  619    HE2  TYR  82           HE2      TYR  82 -13.989  -6.777  -6.777
  620    HH   TYR  82           HH       TYR  82 -14.475  -4.479  -4.479
  621    HA   PRO  83           HA       PRO  83  -6.967  -7.501  -7.501
  622   1HB   PRO  83           HB1      PRO  83  -4.256  -7.815  -7.815
  623   2HB   PRO  83           HB2      PRO  83  -5.308  -8.753  -8.753
  624   1HG   PRO  83           HG1      PRO  83  -3.959  -9.554  -9.554
  625   2HG   PRO  83           HG2      PRO  83  -4.381 -10.523 -10.523
  626   1HD   PRO  83           HD1      PRO  83  -5.763 -10.458 -10.458
  627   2HD   PRO  83           HD2      PRO  83  -6.364 -11.132 -11.132
  628    H    THR  84           HN       THR  84  -6.355  -5.400  -5.400
  629    HA   THR  84           HA       THR  84  -5.251  -5.087  -5.087
  630    HB   THR  84           HB       THR  84  -6.803  -2.861  -2.861
  631    HG1  THR  84           HG1      THR  84  -8.525  -3.939  -3.939
  632   1HG2  THR  84          HG22      THR  84  -5.993  -3.687  -3.687
  633   2HG2  THR  84          HG21      THR  84  -7.697  -4.141  -4.141
  634   3HG2  THR  84          HG23      THR  84  -7.227  -2.467  -2.467
  635    H    ILE  85           HN       ILE  85  -3.134  -4.445  -4.445
  636    HA   ILE  85           HA       ILE  85  -2.346  -2.860  -2.860
  637    HB   ILE  85           HB       ILE  85  -0.637  -3.733  -3.733
  638   1HG1  ILE  85          HG12      ILE  85  -1.872  -5.711  -5.711
  639   2HG1  ILE  85          HG11      ILE  85  -0.183  -5.817  -5.817
  640   1HG2  ILE  85          HG23      ILE  85  -0.111  -3.160  -3.160
  641   2HG2  ILE  85          HG22      ILE  85   1.085  -3.863  -3.863
  642   3HG2  ILE  85          HG21      ILE  85   0.469  -2.237  -2.237
  643   1HD1  ILE  85          HD12      ILE  85  -1.516  -4.399  -4.399
  644   2HD1  ILE  85          HD11      ILE  85  -2.551  -5.770  -5.770
  645   3HD1  ILE  85          HD13      ILE  85  -0.876  -6.041  -6.041
  646    H    LYS  86           HN       LYS  86  -1.391  -0.754  -0.754
  647    HA   LYS  86           HA       LYS  86  -1.341   0.588   0.588
  648   1HB   LYS  86           HB2      LYS  86  -3.647   0.612   0.612
  649   2HB   LYS  86           HB1      LYS  86  -2.843   2.073   2.073
  650   1HG   LYS  86           HG1      LYS  86  -3.636   3.095   3.095
  651   2HG   LYS  86           HG2      LYS  86  -2.462   2.144   2.144
  652   1HD   LYS  86           HD2      LYS  86  -4.367   0.284   0.284
  653   2HD   LYS  86           HD1      LYS  86  -5.398   1.708   1.708
  654   1HE   LYS  86           HE1      LYS  86  -3.994   2.543   2.543
  655   2HE   LYS  86           HE2      LYS  86  -3.747   0.802   0.802
  656   1HZ   LYS  86           HZ1      LYS  86  -6.213   0.582   0.582
  657   2HZ   LYS  86           HZ3      LYS  86  -6.319   2.268   2.268
  658   3HZ   LYS  86           HZ2      LYS  86  -5.782   1.326   1.326
  659    H    PHE  87           HN       PHE  87   0.021   2.423   2.423
  660    HA   PHE  87           HA       PHE  87   1.346   3.046   3.046
  661   1HB   PHE  87           HB2      PHE  87   2.800   1.667   1.667
  662   2HB   PHE  87           HB1      PHE  87   2.504   2.682   2.682
  663    HD1  PHE  87           HD1      PHE  87   3.090   3.862   3.862
  664    HD2  PHE  87           HD2      PHE  87   4.704   3.459   3.459
  665    HE1  PHE  87           HE1      PHE  87   5.004   5.315   5.315
  666    HE2  PHE  87           HE2      PHE  87   6.614   4.909   4.909
  667    HZ   PHE  87           HZ       PHE  87   6.763   5.835   5.835
  668    H    PHE  88           HN       PHE  88   1.452   5.217   5.217
  669    HA   PHE  88           HA       PHE  88   0.613   7.122   7.122
  670   1HB   PHE  88           HB1      PHE  88   0.155   6.923   6.923
  671   2HB   PHE  88           HB2      PHE  88  -0.054   8.457   8.457
  672    HD1  PHE  88           HD2      PHE  88  -1.716   8.645   8.645
  673    HD2  PHE  88           HD1      PHE  88  -1.427   5.138   5.138
  674    HE1  PHE  88           HE2      PHE  88  -3.955   7.916   7.916
  675    HE2  PHE  88           HE1      PHE  88  -3.667   4.408   4.408
  676    HZ   PHE  88           HZ       PHE  88  -4.923   5.779   5.779
  677    H    ARG  89           HN       ARG  89   1.597   9.318   9.318
  678    HA   ARG  89           HA       ARG  89   4.219   9.338   9.338
  679   1HB   ARG  89           HB1      ARG  89   4.258   8.672   8.672
  680   2HB   ARG  89           HB2      ARG  89   3.840  10.355  10.355
  681   1HG   ARG  89           HG2      ARG  89   5.878  11.151  11.151
  682   2HG   ARG  89           HG1      ARG  89   6.113   9.798   9.798
  683   1HD   ARG  89           HD2      ARG  89   7.185   8.555   8.555
  684   2HD   ARG  89           HD1      ARG  89   6.018   9.004   9.004
  685    HE   ARG  89           HE       ARG  89   8.125  10.920  10.920
  686   1HH1  ARG  89          HH21      ARG  89   6.935  12.513  12.513
  687   2HH1  ARG  89          HH22      ARG  89   7.345  11.992  11.992
  688   1HH2  ARG  89          HH11      ARG  89   8.389   8.842   8.842
  689   2HH2  ARG  89          HH12      ARG  89   8.167   9.914   9.914
  690    H    ASN  90           HN       ASN  90   3.899  11.017  11.017
  691    HA   ASN  90           HA       ASN  90   3.352  13.173  13.173
  692   1HB   ASN  90           HB2      ASN  90   5.175  13.546  13.546
  693   2HB   ASN  90           HB1      ASN  90   3.939  13.822  13.822
  694   1HD2  ASN  90          HD22      ASN  90   4.846  17.165  17.165
  695   2HD2  ASN  90          HD21      ASN  90   5.632  15.952  15.952
  696    H    GLY  91           HN       GLY  91   1.023  11.832  11.832
  697   1HA   GLY  91           HA2      GLY  91  -1.255  12.110  12.110
  698   2HA   GLY  91           HA1      GLY  91  -0.915  13.837  13.837
  699    H    ASP  92           HN       ASP  92  -1.288  11.116  11.116
  700    HA   ASP  92           HA       ASP  92  -0.847  12.877  12.877
  701   1HB   ASP  92           HB1      ASP  92   0.219  10.553  10.553
  702   2HB   ASP  92           HB2      ASP  92  -1.384   9.902   9.902
  703    H    THR  93           HN       THR  93  -3.193  10.382  10.382
  704    HA   THR  93           HA       THR  93  -5.497  10.155  10.155
  705    HB   THR  93           HB       THR  93  -5.876  13.064  13.064
  706    HG1  THR  93           HG1      THR  93  -4.882  13.660  13.660
  707   1HG2  THR  93          HG23      THR  93  -6.797  10.841  10.841
  708   2HG2  THR  93          HG22      THR  93  -7.195  12.525  12.525
  709   3HG2  THR  93          HG21      THR  93  -7.741  11.778  11.778
  710    H    ALA  94           HN       ALA  94  -3.515  10.525  10.525
  711    HA   ALA  94           HA       ALA  94  -5.582  11.040  11.040
  712   1HB   ALA  94           HB2      ALA  94  -2.873  12.372  12.372
  713   2HB   ALA  94           HB1      ALA  94  -3.859  12.458  12.458
  714   3HB   ALA  94           HB3      ALA  94  -4.450  13.159  13.159
  715    H    SER  95           HN       SER  95  -2.054  10.666  10.666
  716    HA   SER  95           HA       SER  95  -2.491   8.118   8.118
  717   1HB   SER  95           HB2      SER  95  -1.344  10.524  10.524
  718   2HB   SER  95           HB1      SER  95   0.056   9.534   9.534
  719    HG   SER  95           HG       SER  95  -0.281   8.393   8.393
  720    HA   PRO  96           HA       PRO  96  -0.034   7.198   7.198
  721   1HB   PRO  96           HB2      PRO  96  -1.449   4.967   4.967
  722   2HB   PRO  96           HB1      PRO  96  -1.897   6.603   6.603
  723   1HG   PRO  96           HG2      PRO  96  -3.027   4.912   4.912
  724   2HG   PRO  96           HG1      PRO  96  -3.853   6.002   6.002
  725   1HD   PRO  96           HD2      PRO  96  -3.291   6.652   6.652
  726   2HD   PRO  96           HD1      PRO  96  -3.454   7.847   7.847
  727    H    LYS  97           HN       LYS  97   1.168   5.084   5.084
  728    HA   LYS  97           HA       LYS  97   1.907   3.822   3.822
  729   1HB   LYS  97           HB2      LYS  97   3.190   4.598   4.598
  730   2HB   LYS  97           HB1      LYS  97   3.584   2.934   2.934
  731   1HG   LYS  97           HG2      LYS  97   3.844   4.134   4.134
  732   2HG   LYS  97           HG1      LYS  97   4.302   5.470   5.470
  733   1HD   LYS  97           HD2      LYS  97   6.014   4.128   4.128
  734   2HD   LYS  97           HD1      LYS  97   5.480   2.685   2.685
  735   1HE   LYS  97           HE2      LYS  97   6.271   3.501   3.501
  736   2HE   LYS  97           HE1      LYS  97   6.413   5.160   5.160
  737   1HZ   LYS  97           HZ1      LYS  97   7.976   4.148   4.148
  738   2HZ   LYS  97           HZ3      LYS  97   8.058   2.801   2.801
  739   3HZ   LYS  97           HZ2      LYS  97   8.574   4.322   4.322
  740    H    GLU  98           HN       GLU  98   1.440   1.678   1.678
  741    HA   GLU  98           HA       GLU  98  -0.101   0.184   0.184
  742   1HB   GLU  98           HB2      GLU  98  -0.794   0.541   0.541
  743   2HB   GLU  98           HB1      GLU  98   0.526  -0.542  -0.542
  744   1HG   GLU  98           HG1      GLU  98  -1.067  -2.160  -2.160
  745   2HG   GLU  98           HG2      GLU  98  -0.684  -2.012  -2.012
  746    H    TYR  99           HN       TYR  99   0.528  -1.979  -1.979
  747    HA   TYR  99           HA       TYR  99   3.449  -2.403  -2.403
  748   1HB   TYR  99           HB1      TYR  99   1.224  -2.925  -2.925
  749   2HB   TYR  99           HB2      TYR  99   1.842  -4.503  -4.503
  750    HD1  TYR  99           HD2      TYR  99   4.425  -4.842  -4.842
  751    HD2  TYR  99           HD1      TYR  99   2.285  -1.734  -1.734
  752    HE1  TYR  99           HE2      TYR  99   6.312  -4.593  -4.593
  753    HE2  TYR  99           HE1      TYR  99   4.172  -1.483  -1.483
  754    HH   TYR  99           HH       TYR  99   6.692  -3.761  -3.761
  755    H    THR 100           HN       THR 100   4.424  -3.641  -3.641
  756    HA   THR 100           HA       THR 100   2.787  -5.335  -5.335
  757    HB   THR 100           HB       THR 100   5.207  -5.607  -5.607
  758    HG1  THR 100           HG1      THR 100   6.682  -4.594  -4.594
  759   1HG2  THR 100          HG22      THR 100   3.152  -3.714  -3.714
  760   2HG2  THR 100          HG21      THR 100   4.645  -2.778  -2.778
  761   3HG2  THR 100          HG23      THR 100   4.459  -4.055  -4.055
  762    H    ALA 101           HN       ALA 101   3.814  -5.921  -5.921
  763    HA   ALA 101           HA       ALA 101   4.542  -8.762  -8.762
  764   1HB   ALA 101           HB1      ALA 101   6.350  -6.975  -6.975
  765   2HB   ALA 101           HB3      ALA 101   5.658  -7.333  -7.333
  766   3HB   ALA 101           HB2      ALA 101   6.374  -8.626  -8.626
  767    H    GLY 102           HN       GLY 102   4.749  -9.272  -9.272
  768   1HA   GLY 102           HA2      GLY 102   3.044  -8.838  -8.838
  769   2HA   GLY 102           HA1      GLY 102   1.829  -9.169  -9.169
  770    H    ARG 103           HN       ARG 103   4.017 -10.577 -10.577
  771    HA   ARG 103           HA       ARG 103   2.796 -13.194 -13.194
  772   1HB   ARG 103           HB1      ARG 103   4.322 -12.970 -12.970
  773   2HB   ARG 103           HB2      ARG 103   5.678 -12.891 -12.891
  774   1HG   ARG 103           HG2      ARG 103   5.671 -15.129 -15.129
  775   2HG   ARG 103           HG1      ARG 103   3.953 -15.122 -15.122
  776   1HD   ARG 103           HD2      ARG 103   3.416 -15.910 -15.910
  777   2HD   ARG 103           HD1      ARG 103   4.349 -14.620 -14.620
  778    HE   ARG 103           HE       ARG 103   6.274 -16.350 -16.350
  779   1HH1  ARG 103          HH11      ARG 103   4.474 -15.881 -15.881
  780   2HH1  ARG 103          HH12      ARG 103   4.749 -17.456 -17.456
  781   1HH2  ARG 103          HH21      ARG 103   6.255 -18.694 -18.694
  782   2HH2  ARG 103          HH22      ARG 103   5.758 -19.049 -19.049
  783    H    GLU 104           HN       GLU 104   5.663 -11.392 -11.392
  784    HA   GLU 104           HA       GLU 104   5.322 -12.527 -12.527
  785   1HB   GLU 104           HB1      GLU 104   7.693 -12.913 -12.913
  786   2HB   GLU 104           HB2      GLU 104   7.839 -13.084 -13.084
  787   1HG   GLU 104           HG2      GLU 104   5.722 -14.644 -14.644
  788   2HG   GLU 104           HG1      GLU 104   6.319 -14.776 -14.776
  789    H    ALA 105           HN       ALA 105   6.614 -11.308 -11.308
  790    HA   ALA 105           HA       ALA 105   6.526  -8.541  -8.541
  791   1HB   ALA 105           HB2      ALA 105   7.159 -10.269 -10.269
  792   2HB   ALA 105           HB1      ALA 105   8.814  -9.940  -9.940
  793   3HB   ALA 105           HB3      ALA 105   7.800  -8.629  -8.629
  794    H    ASP 106           HN       ASP 106   9.019 -10.638 -10.638
  795    HA   ASP 106           HA       ASP 106  11.058  -8.700  -8.700
  796   1HB   ASP 106           HB2      ASP 106  10.151 -11.203 -11.203
  797   2HB   ASP 106           HB1      ASP 106  11.594 -10.314 -10.314
  798    H    ASP 107           HN       ASP 107   8.496  -9.819  -9.819
  799    HA   ASP 107           HA       ASP 107   8.932  -8.058  -8.058
  800   1HB   ASP 107           HB2      ASP 107   6.851  -9.775  -9.775
  801   2HB   ASP 107           HB1      ASP 107   6.143  -8.337  -8.337
  802    H    ILE 108           HN       ILE 108   7.526  -7.420  -7.420
  803    HA   ILE 108           HA       ILE 108   6.321  -4.861  -4.861
  804    HB   ILE 108           HB       ILE 108   7.183  -6.011  -6.011
  805   1HG1  ILE 108          HG12      ILE 108   5.717  -7.560  -7.560
  806   2HG1  ILE 108          HG11      ILE 108   4.885  -6.890  -6.890
  807   1HG2  ILE 108          HG22      ILE 108   6.580  -3.553  -3.553
  808   2HG2  ILE 108          HG21      ILE 108   4.969  -4.044  -4.044
  809   3HG2  ILE 108          HG23      ILE 108   5.559  -4.512  -4.512
  810   1HD1  ILE 108          HD11      ILE 108   3.870  -5.156  -5.156
  811   2HD1  ILE 108          HD13      ILE 108   4.619  -5.951  -5.951
  812   3HD1  ILE 108          HD12      ILE 108   3.394  -6.797  -6.797
  813    H    VAL 109           HN       VAL 109   9.181  -5.735  -5.735
  814    HA   VAL 109           HA       VAL 109  10.207  -3.039  -3.039
  815    HB   VAL 109           HB       VAL 109  11.534  -5.749  -5.749
  816   1HG1  VAL 109          HG21      VAL 109  12.764  -3.300  -3.300
  817   2HG1  VAL 109          HG23      VAL 109  12.452  -3.423  -3.423
  818   3HG1  VAL 109          HG22      VAL 109  13.393  -4.671  -4.671
  819   1HG2  VAL 109          HG12      VAL 109   9.533  -4.330  -4.330
  820   2HG2  VAL 109          HG11      VAL 109  10.238  -5.916  -5.916
  821   3HG2  VAL 109          HG13      VAL 109  11.018  -4.466  -4.466
  822    H    ASN 110           HN       ASN 110  10.932  -5.853  -5.853
  823    HA   ASN 110           HA       ASN 110  13.151  -4.865  -4.865
  824   1HB   ASN 110           HB2      ASN 110  11.848  -7.127  -7.127
  825   2HB   ASN 110           HB1      ASN 110  10.880  -6.367  -6.367
  826   1HD2  ASN 110          HD22      ASN 110  14.034  -8.127  -8.127
  827   2HD2  ASN 110          HD21      ASN 110  12.931  -8.632  -8.632
  828    H    TRP 111           HN       TRP 111   9.762  -4.718  -4.718
  829    HA   TRP 111           HA       TRP 111  10.212  -2.879  -2.879
  830   1HB   TRP 111           HB1      TRP 111   8.167  -4.371  -4.371
  831   2HB   TRP 111           HB2      TRP 111   7.678  -2.905  -2.905
  832    HD1  TRP 111           HD1      TRP 111   8.838  -3.889  -3.889
  833    HE1  TRP 111           HE1      TRP 111   7.516  -2.462  -2.462
  834    HE3  TRP 111           HE3      TRP 111   6.106  -1.013  -1.013
  835    HZ2  TRP 111           HZ2      TRP 111   5.558  -0.378  -0.378
  836    HZ3  TRP 111           HZ3      TRP 111   4.521   0.683   0.683
  837    HH2  TRP 111           HH2      TRP 111   4.244   1.004   1.004
  838    H    LEU 112           HN       LEU 112   9.875  -2.403  -2.403
  839    HA   LEU 112           HA       LEU 112   9.330   0.456   0.456
  840   1HB   LEU 112           HB1      LEU 112   9.914  -1.663  -1.663
  841   2HB   LEU 112           HB2      LEU 112  10.297  -0.012  -0.012
  842    HG   LEU 112           HG       LEU 112   7.641  -0.632  -0.632
  843   1HD1  LEU 112          HD12      LEU 112   8.353  -2.074  -2.074
  844   2HD1  LEU 112          HD11      LEU 112   7.859  -0.595  -0.595
  845   3HD1  LEU 112          HD13      LEU 112   6.715  -1.453  -1.453
  846   1HD2  LEU 112          HD22      LEU 112   8.720   1.716   1.716
  847   2HD2  LEU 112          HD21      LEU 112   7.005   1.420   1.420
  848   3HD2  LEU 112          HD23      LEU 112   8.149   1.315   1.315
  849    H    LYS 113           HN       LYS 113  12.243  -1.533  -1.533
  850    HA   LYS 113           HA       LYS 113  14.003   0.760   0.760
  851   1HB   LYS 113           HB2      LYS 113  14.068  -2.162  -2.162
  852   2HB   LYS 113           HB1      LYS 113  15.521  -1.483  -1.483
  853   1HG   LYS 113           HG2      LYS 113  16.221  -0.529  -0.529
  854   2HG   LYS 113           HG1      LYS 113  14.582  -0.111  -0.111
  855   1HD   LYS 113           HD2      LYS 113  14.359  -2.007  -2.007
  856   2HD   LYS 113           HD1      LYS 113  15.028  -3.001  -3.001
  857   1HE   LYS 113           HE2      LYS 113  17.208  -2.801  -2.801
  858   2HE   LYS 113           HE1      LYS 113  16.894  -1.230  -1.230
  859   1HZ   LYS 113           HZ1      LYS 113  15.275  -2.491  -2.491
  860   2HZ   LYS 113           HZ3      LYS 113  16.017  -3.911  -3.911
  861   3HZ   LYS 113           HZ2      LYS 113  16.925  -2.761  -2.761
  862    H    LYS 114           HN       LYS 114  12.560  -0.669  -0.669
  863    HA   LYS 114           HA       LYS 114  14.638  -0.546  -0.546
  864   1HB   LYS 114           HB2      LYS 114  12.227  -1.500  -1.500
  865   2HB   LYS 114           HB1      LYS 114  11.736   0.140   0.140
  866   1HG   LYS 114           HG2      LYS 114  12.671   0.018   0.018
  867   2HG   LYS 114           HG1      LYS 114  14.025  -0.969  -0.969
  868   1HD   LYS 114           HD2      LYS 114  12.578  -2.942  -2.942
  869   2HD   LYS 114           HD1      LYS 114  11.184  -1.970  -1.970
  870   1HE   LYS 114           HE2      LYS 114  11.713  -2.587  -2.587
  871   2HE   LYS 114           HE1      LYS 114  13.026  -1.400  -1.400
  872   1HZ   LYS 114           HZ1      LYS 114  14.302  -3.229  -3.229
  873   2HZ   LYS 114           HZ3      LYS 114  13.124  -4.303  -4.303
  874   3HZ   LYS 114           HZ2      LYS 114  14.081  -3.421  -3.421
  875    H    ARG 115           HN       ARG 115  12.661   1.981   1.981
  876    HA   ARG 115           HA       ARG 115  14.113   3.992   3.992
  877   1HB   ARG 115           HB2      ARG 115  11.345   3.359   3.359
  878   2HB   ARG 115           HB1      ARG 115  11.554   4.934   4.934
  879   1HG   ARG 115           HG2      ARG 115  13.166   5.185   5.185
  880   2HG   ARG 115           HG1      ARG 115  11.875   4.160   4.160
  881   1HD   ARG 115           HD2      ARG 115  10.340   5.850   5.850
  882   2HD   ARG 115           HD1      ARG 115  10.938   6.428   6.428
  883    HE   ARG 115           HE       ARG 115  12.816   7.514   7.514
  884   1HH1  ARG 115          HH21      ARG 115  12.795   6.160   6.160
  885   2HH1  ARG 115          HH22      ARG 115  11.918   7.248   7.248
  886   1HH2  ARG 115          HH11      ARG 115  10.523   9.019   9.019
  887   2HH2  ARG 115          HH12      ARG 115  10.631   8.868   8.868
  888    H    THR 116           HN       THR 116  13.990   2.825   2.825
  889    HA   THR 116           HA       THR 116  14.400   5.542   5.542
  890    HB   THR 116           HB       THR 116  13.296   4.653   4.653
  891    HG1  THR 116           HG1      THR 116  13.287   2.577   2.577
  892   1HG2  THR 116          HG23      THR 116  11.809   4.349   4.349
  893   2HG2  THR 116          HG22      THR 116  11.006   4.228   4.228
  894   3HG2  THR 116          HG21      THR 116  11.802   5.729   5.729
  895    H    GLY 117           HN       GLY 117  16.422   3.712   3.712
  896   1HA   GLY 117           HA1      GLY 117  17.982   3.301   3.301
  897   2HA   GLY 117           HA2      GLY 117  17.860   1.969   1.969
  898    HA   PRO 118           HA       PRO 118  21.398   4.787   4.787
  899   1HB   PRO 118           HB2      PRO 118  23.400   2.933   2.933
  900   2HB   PRO 118           HB1      PRO 118  22.883   3.964   3.964
  901   1HG   PRO 118           HG2      PRO 118  22.238   1.116   1.116
  902   2HG   PRO 118           HG1      PRO 118  22.530   1.917   1.917
  903   1HD   PRO 118           HD2      PRO 118  20.042   1.274   1.274
  904   2HD   PRO 118           HD1      PRO 118  20.359   2.584   2.584
  905    H    ALA 119           HN       ALA 119  20.190   4.507   4.507
  906    HA   ALA 119           HA       ALA 119  21.586   2.572   2.572
  907   1HB   ALA 119           HB2      ALA 119  18.635   2.923   2.923
  908   2HB   ALA 119           HB1      ALA 119  19.206   2.233   2.233
  909   3HB   ALA 119           HB3      ALA 119  19.579   1.434   1.434
  910    H    ALA 120           HN       ALA 120  18.909   4.946   4.946
  911    HA   ALA 120           HA       ALA 120  20.137   6.060   6.060
  912   1HB   ALA 120           HB1      ALA 120  17.659   5.452   5.452
  913   2HB   ALA 120           HB3      ALA 120  17.601   6.933   6.933
  914   3HB   ALA 120           HB2      ALA 120  17.984   7.008   7.008

  Start of MODEL   37
    1   1H    ASP   1           HT2      ASP   1  -9.166  11.751  11.751
    2   2H    ASP   1           HT1      ASP   1 -10.700  12.110  12.110
    3   3H    ASP   1           HT3      ASP   1  -9.303  12.568  12.568
    4    HA   ASP   1           HA       ASP   1 -10.194  10.635  10.635
    5   1HB   ASP   1           HB2      ASP   1 -10.456   9.894   9.894
    6   2HB   ASP   1           HB1      ASP   1 -10.217   8.585   8.585
    7    H    ALA   2           HN       ALA   2  -8.814   8.802   8.802
    8    HA   ALA   2           HA       ALA   2  -5.970   9.305   9.305
    9   1HB   ALA   2           HB3      ALA   2  -7.604   7.894   7.894
   10   2HB   ALA   2           HB2      ALA   2  -5.932   7.377   7.377
   11   3HB   ALA   2           HB1      ALA   2  -6.288   9.050   9.050
   12    HA   PRO   3           HA       PRO   3  -6.109   5.873   5.873
   13   1HB   PRO   3           HB2      PRO   3  -3.451   5.867   5.867
   14   2HB   PRO   3           HB1      PRO   3  -4.606   7.037   7.037
   15   1HG   PRO   3           HG2      PRO   3  -2.628   7.358   7.358
   16   2HG   PRO   3           HG1      PRO   3  -3.117   8.508   8.508
   17   1HD   PRO   3           HD2      PRO   3  -4.014   8.597   8.597
   18   2HD   PRO   3           HD1      PRO   3  -4.915   9.244   9.244
   19    H    GLU   4           HN       GLU   4  -6.009   3.714   3.714
   20    HA   GLU   4           HA       GLU   4  -4.466   2.889   2.889
   21   1HB   GLU   4           HB1      GLU   4  -6.886   2.292   2.292
   22   2HB   GLU   4           HB2      GLU   4  -6.254   1.257   1.257
   23   1HG   GLU   4           HG1      GLU   4  -4.735   0.292   0.292
   24   2HG   GLU   4           HG2      GLU   4  -5.965   0.977   0.977
   25    H    GLU   5           HN       GLU   5  -2.282   2.694   2.694
   26    HA   GLU   5           HA       GLU   5  -1.482   1.481   1.481
   27   1HB   GLU   5           HB2      GLU   5   0.088   2.102   2.102
   28   2HB   GLU   5           HB1      GLU   5   0.764   1.845   1.845
   29   1HG   GLU   5           HG2      GLU   5  -0.785   3.797   3.797
   30   2HG   GLU   5           HG1      GLU   5  -0.900   4.155   4.155
   31    H    GLU   6           HN       GLU   6  -0.991  -0.692  -0.692
   32    HA   GLU   6           HA       GLU   6  -0.906  -2.469  -2.469
   33   1HB   GLU   6           HB2      GLU   6  -2.548  -2.468  -2.468
   34   2HB   GLU   6           HB1      GLU   6  -1.970  -4.042  -4.042
   35   1HG   GLU   6           HG2      GLU   6  -3.040  -3.825  -3.825
   36   2HG   GLU   6           HG1      GLU   6  -3.302  -2.095  -2.095
   37    H    ASP   7           HN       ASP   7   1.040  -3.494  -3.494
   38    HA   ASP   7           HA       ASP   7   3.124  -4.392  -4.392
   39   1HB   ASP   7           HB2      ASP   7   1.209  -5.333  -5.333
   40   2HB   ASP   7           HB1      ASP   7   2.785  -6.056  -6.056
   41    H    HIS   8           HN       HIS   8   3.664  -1.965  -1.965
   42    HA   HIS   8           HA       HIS   8   4.637  -0.427  -0.427
   43   1HB   HIS   8           HB1      HIS   8   5.350  -3.102  -3.102
   44   2HB   HIS   8           HB2      HIS   8   6.193  -1.581  -1.581
   45    HD1  HIS   8           HD1      HIS   8   7.904  -0.832  -0.832
   46    HD2  HIS   8           HD2      HIS   8   5.629  -4.061  -4.061
   47    HE1  HIS   8           HE1      HIS   8   8.966  -1.613  -1.613
   48    H    VAL   9           HN       VAL   9   1.830  -1.475  -1.475
   49    HA   VAL   9           HA       VAL   9   1.653  -0.366  -0.366
   50    HB   VAL   9           HB       VAL   9   0.766  -3.154  -3.154
   51   1HG1  VAL   9          HG11      VAL   9  -0.502  -1.429  -1.429
   52   2HG1  VAL   9          HG13      VAL   9   0.497  -2.458  -2.458
   53   3HG1  VAL   9          HG12      VAL   9  -0.686  -3.182  -3.182
   54   1HG2  VAL   9          HG21      VAL   9   2.917  -2.045  -2.045
   55   2HG2  VAL   9          HG23      VAL   9   3.030  -3.326  -3.326
   56   3HG2  VAL   9          HG22      VAL   9   2.231  -3.633  -3.633
   57    H    LEU  10           HN       LEU  10   0.000   1.129   1.129
   58    HA   LEU  10           HA       LEU  10  -2.042   0.612   0.612
   59   1HB   LEU  10           HB2      LEU  10  -2.125   2.910   2.910
   60   2HB   LEU  10           HB1      LEU  10  -0.474   2.717   2.717
   61    HG   LEU  10           HG       LEU  10  -2.877   3.567   3.567
   62   1HD1  LEU  10          HD13      LEU  10  -1.725   5.239   5.239
   63   2HD1  LEU  10          HD12      LEU  10  -0.254   4.963   4.963
   64   3HD1  LEU  10          HD11      LEU  10  -1.680   5.651   5.651
   65   1HD2  LEU  10          HD22      LEU  10  -0.040   2.917   2.917
   66   2HD2  LEU  10          HD21      LEU  10  -1.520   2.164   2.164
   67   3HD2  LEU  10          HD23      LEU  10  -1.166   3.836   3.836
   68    H    VAL  11           HN       VAL  11  -4.197   1.821   1.821
   69    HA   VAL  11           HA       VAL  11  -5.070   0.611   0.611
   70    HB   VAL  11           HB       VAL  11  -7.285   0.535   0.535
   71   1HG1  VAL  11          HG13      VAL  11  -4.978  -0.592  -0.592
   72   2HG1  VAL  11          HG12      VAL  11  -6.659  -1.105  -1.105
   73   3HG1  VAL  11          HG11      VAL  11  -5.793  -1.380  -1.380
   74   1HG2  VAL  11          HG21      VAL  11  -6.791   2.596   2.596
   75   2HG2  VAL  11          HG23      VAL  11  -7.571   1.262   1.262
   76   3HG2  VAL  11          HG22      VAL  11  -5.842   1.542   1.542
   77    H    LEU  12           HN       LEU  12  -6.240   1.901   1.901
   78    HA   LEU  12           HA       LEU  12  -6.092   4.834   4.834
   79   1HB   LEU  12           HB2      LEU  12  -5.485   3.151   3.151
   80   2HB   LEU  12           HB1      LEU  12  -7.074   3.755   3.755
   81    HG   LEU  12           HG       LEU  12  -6.303   6.061   6.061
   82   1HD1  LEU  12          HD13      LEU  12  -3.989   4.710   4.710
   83   2HD1  LEU  12          HD12      LEU  12  -3.610   6.099   6.099
   84   3HD1  LEU  12          HD11      LEU  12  -4.710   6.281   6.281
   85   1HD2  LEU  12          HD21      LEU  12  -5.877   4.770   4.770
   86   2HD2  LEU  12          HD23      LEU  12  -4.751   6.102   6.102
   87   3HD2  LEU  12          HD22      LEU  12  -4.246   4.444   4.444
   88    H    ARG  13           HN       ARG  13  -8.061   5.981   5.981
   89    HA   ARG  13           HA       ARG  13 -10.656   4.647   4.647
   90   1HB   ARG  13           HB2      ARG  13  -9.461   6.353   6.353
   91   2HB   ARG  13           HB1      ARG  13 -11.178   6.569   6.569
   92   1HG   ARG  13           HG2      ARG  13 -10.806   3.794   3.794
   93   2HG   ARG  13           HG1      ARG  13  -9.833   4.390   4.390
   94   1HD   ARG  13           HD1      ARG  13 -12.136   5.885   5.885
   95   2HD   ARG  13           HD2      ARG  13 -12.764   4.324   4.324
   96    HE   ARG  13           HE       ARG  13 -10.937   4.631   4.631
   97   1HH1  ARG  13          HH21      ARG  13 -11.248   1.904   1.904
   98   2HH1  ARG  13          HH22      ARG  13 -12.485   1.196   1.196
   99   1HH2  ARG  13          HH11      ARG  13 -13.466   4.211   4.211
  100   2HH2  ARG  13          HH12      ARG  13 -13.741   2.501   2.501
  101    H    LYS  14           HN       LYS  14 -12.427   6.125   6.125
  102    HA   LYS  14           HA       LYS  14 -12.073   7.725   7.725
  103   1HB   LYS  14           HB1      LYS  14 -14.071   7.230   7.230
  104   2HB   LYS  14           HB2      LYS  14 -14.145   8.909   8.909
  105   1HG   LYS  14           HG2      LYS  14 -13.770   7.084   7.084
  106   2HG   LYS  14           HG1      LYS  14 -15.229   6.702   6.702
  107   1HD   LYS  14           HD1      LYS  14 -14.599   9.549   9.549
  108   2HD   LYS  14           HD2      LYS  14 -15.391   8.471   8.471
  109   1HE   LYS  14           HE2      LYS  14 -17.355   8.426   8.426
  110   2HE   LYS  14           HE1      LYS  14 -16.517   8.527   8.527
  111   1HZ   LYS  14           HZ1      LYS  14 -16.538  10.757  10.757
  112   2HZ   LYS  14           HZ3      LYS  14 -17.708  10.611  10.611
  113   3HZ   LYS  14           HZ2      LYS  14 -16.071  10.803  10.803
  114    H    SER  15           HN       SER  15 -11.538   8.670   8.670
  115    HA   SER  15           HA       SER  15 -10.961  11.471  11.471
  116   1HB   SER  15           HB1      SER  15 -12.571  10.584  10.584
  117   2HB   SER  15           HB2      SER  15 -11.059  10.655  10.655
  118    HG   SER  15           HG       SER  15 -10.990  12.771  12.771
  119    H    ASN  16           HN       ASN  16  -9.525   8.573   8.573
  120    HA   ASN  16           HA       ASN  16  -7.069   9.888   9.888
  121   1HB   ASN  16           HB1      ASN  16  -8.080   7.857   7.857
  122   2HB   ASN  16           HB2      ASN  16  -7.800   6.984   6.984
  123   1HD2  ASN  16          HD22      ASN  16  -4.856   6.057   6.057
  124   2HD2  ASN  16          HD21      ASN  16  -6.483   5.620   5.620
  125    H    PHE  17           HN       PHE  17  -8.275   8.469   8.469
  126    HA   PHE  17           HA       PHE  17  -5.884   7.684   7.684
  127   1HB   PHE  17           HB2      PHE  17  -8.262   7.363   7.363
  128   2HB   PHE  17           HB1      PHE  17  -8.317   9.074   9.074
  129    HD1  PHE  17           HD2      PHE  17  -6.477   9.943   9.943
  130    HD2  PHE  17           HD1      PHE  17  -7.466   5.792   5.792
  131    HE1  PHE  17           HE2      PHE  17  -5.431   9.431   9.431
  132    HE2  PHE  17           HE1      PHE  17  -6.420   5.282   5.282
  133    HZ   PHE  17           HZ       PHE  17  -5.404   7.107   7.107
  134    H    ALA  18           HN       ALA  18  -7.581  10.798  10.798
  135    HA   ALA  18           HA       ALA  18  -5.443  12.107  12.107
  136   1HB   ALA  18           HB2      ALA  18  -7.988  12.769  12.769
  137   2HB   ALA  18           HB1      ALA  18  -6.837  14.103  14.103
  138   3HB   ALA  18           HB3      ALA  18  -7.364  13.320  13.320
  139    H    GLU  19           HN       GLU  19  -5.913  11.402  11.402
  140    HA   GLU  19           HA       GLU  19  -4.200  13.474  13.474
  141   1HB   GLU  19           HB2      GLU  19  -6.000  12.141  12.141
  142   2HB   GLU  19           HB1      GLU  19  -4.919  10.749  10.749
  143   1HG   GLU  19           HG2      GLU  19  -3.402  11.696  11.696
  144   2HG   GLU  19           HG1      GLU  19  -3.914  13.344  13.344
  145    H    ALA  20           HN       ALA  20  -3.659   9.935   9.935
  146    HA   ALA  20           HA       ALA  20  -0.871   9.994   9.994
  147   1HB   ALA  20           HB3      ALA  20  -2.826   8.147   8.147
  148   2HB   ALA  20           HB2      ALA  20  -1.105   7.768   7.768
  149   3HB   ALA  20           HB1      ALA  20  -1.910   7.906   7.906
  150    H    LEU  21           HN       LEU  21  -2.693  10.238  10.238
  151    HA   LEU  21           HA       LEU  21  -0.588  10.091  10.091
  152   1HB   LEU  21           HB2      LEU  21  -3.309  11.229  11.229
  153   2HB   LEU  21           HB1      LEU  21  -2.305  11.963  11.963
  154    HG   LEU  21           HG       LEU  21  -3.663   9.992   9.992
  155   1HD1  LEU  21          HD23      LEU  21  -0.640   9.824   9.824
  156   2HD1  LEU  21          HD22      LEU  21  -1.714   8.887   8.887
  157   3HD1  LEU  21          HD21      LEU  21  -1.699  10.644  10.644
  158   1HD2  LEU  21          HD11      LEU  21  -1.802   8.516   8.516
  159   2HD2  LEU  21          HD13      LEU  21  -3.563   8.574   8.574
  160   3HD2  LEU  21          HD12      LEU  21  -2.769   7.732   7.732
  161    H    ALA  22           HN       ALA  22  -1.775  12.864  12.864
  162    HA   ALA  22           HA       ALA  22   0.526  14.497  14.497
  163   1HB   ALA  22           HB2      ALA  22  -2.120  15.176  15.176
  164   2HB   ALA  22           HB1      ALA  22  -0.899  16.374  16.374
  165   3HB   ALA  22           HB3      ALA  22  -1.692  15.431  15.431
  166    H    ALA  23           HN       ALA  23   0.262  12.391  12.391
  167    HA   ALA  23           HA       ALA  23   0.886  14.063  14.063
  168   1HB   ALA  23           HB1      ALA  23  -0.507  12.007  12.007
  169   2HB   ALA  23           HB3      ALA  23   0.870  11.060  11.060
  170   3HB   ALA  23           HB2      ALA  23   0.933  11.865  11.865
  171    H    HIS  24           HN       HIS  24   2.560  11.992  11.992
  172    HA   HIS  24           HA       HIS  24   5.154  13.048  13.048
  173   1HB   HIS  24           HB2      HIS  24   4.186  10.204  10.204
  174   2HB   HIS  24           HB1      HIS  24   5.906  10.534  10.534
  175    HD1  HIS  24           HD1      HIS  24   7.224  11.271  11.271
  176    HD2  HIS  24           HD2      HIS  24   3.121  11.084  11.084
  177    HE1  HIS  24           HE1      HIS  24   6.918  11.563  11.563
  178    H    LYS  25           HN       LYS  25   4.662  10.286  10.286
  179    HA   LYS  25           HA       LYS  25   4.775  11.775  11.775
  180   1HB   LYS  25           HB2      LYS  25   7.227  10.818  10.818
  181   2HB   LYS  25           HB1      LYS  25   6.987  12.369  12.369
  182   1HG   LYS  25           HG1      LYS  25   6.988  10.085  10.085
  183   2HG   LYS  25           HG2      LYS  25   8.515  10.319  10.319
  184   1HD   LYS  25           HD2      LYS  25   7.549  12.889  12.889
  185   2HD   LYS  25           HD1      LYS  25   7.473  11.824  11.824
  186   1HE   LYS  25           HE2      LYS  25   9.828  11.224  11.224
  187   2HE   LYS  25           HE1      LYS  25   9.926  12.185  12.185
  188   1HZ   LYS  25           HZ3      LYS  25   9.012  14.069  14.069
  189   2HZ   LYS  25           HZ2      LYS  25   9.463  13.123  13.123
  190   3HZ   LYS  25           HZ1      LYS  25  10.638  13.645  13.645
  191    H    TYR  26           HN       TYR  26   6.689   8.850   8.850
  192    HA   TYR  26           HA       TYR  26   5.205   7.373   7.373
  193   1HB   TYR  26           HB2      TYR  26   7.250   6.454   6.454
  194   2HB   TYR  26           HB1      TYR  26   6.829   5.628   5.628
  195    HD1  TYR  26           HD2      TYR  26   6.670   7.807   7.807
  196    HD2  TYR  26           HD1      TYR  26   9.462   7.191   7.191
  197    HE1  TYR  26           HE2      TYR  26   8.362   9.156   9.156
  198    HE2  TYR  26           HE1      TYR  26  11.153   8.541   8.541
  199    HH   TYR  26           HH       TYR  26  10.513  10.599  10.599
  200    H    LEU  27           HN       LEU  27   3.090   6.849   6.849
  201    HA   LEU  27           HA       LEU  27   2.779   5.450   5.450
  202   1HB   LEU  27           HB1      LEU  27   1.160   7.471   7.471
  203   2HB   LEU  27           HB2      LEU  27   0.307   6.313   6.313
  204    HG   LEU  27           HG       LEU  27   0.855   8.370   8.370
  205   1HD1  LEU  27          HD12      LEU  27   1.086   5.858   5.858
  206   2HD1  LEU  27          HD11      LEU  27   2.762   6.362   6.362
  207   3HD1  LEU  27          HD13      LEU  27   1.464   7.246   7.246
  208   1HD2  LEU  27          HD23      LEU  27   3.092   8.488   8.488
  209   2HD2  LEU  27          HD22      LEU  27   2.961   9.284   9.284
  210   3HD2  LEU  27          HD21      LEU  27   3.760   7.717   7.717
  211    H    LEU  28           HN       LEU  28   2.795   3.283   3.283
  212    HA   LEU  28           HA       LEU  28   1.531   2.362   2.362
  213   1HB   LEU  28           HB1      LEU  28   3.603   1.427   1.427
  214   2HB   LEU  28           HB2      LEU  28   2.529   0.782   0.782
  215    HG   LEU  28           HG       LEU  28   1.236  -0.338  -0.338
  216   1HD1  LEU  28          HD12      LEU  28   2.617   1.248   1.248
  217   2HD1  LEU  28          HD11      LEU  28   3.744  -0.110  -0.110
  218   3HD1  LEU  28          HD13      LEU  28   2.085  -0.358  -0.358
  219   1HD2  LEU  28          HD23      LEU  28   4.104  -1.082  -1.082
  220   2HD2  LEU  28          HD22      LEU  28   2.642  -1.679  -1.679
  221   3HD2  LEU  28          HD21      LEU  28   3.004  -2.146  -2.146
  222    H    VAL  29           HN       VAL  29  -0.596   1.759   1.759
  223    HA   VAL  29           HA       VAL  29  -2.093   1.134   1.134
  224    HB   VAL  29           HB       VAL  29  -3.024   2.708   2.708
  225   1HG1  VAL  29          HG22      VAL  29  -4.309   2.124   2.124
  226   2HG1  VAL  29          HG21      VAL  29  -4.951   3.255   3.255
  227   3HG1  VAL  29          HG23      VAL  29  -4.854   1.536   1.536
  228   1HG2  VAL  29          HG12      VAL  29  -1.330   3.922   3.922
  229   2HG2  VAL  29          HG11      VAL  29  -2.922   4.657   4.657
  230   3HG2  VAL  29          HG13      VAL  29  -2.274   3.635   3.635
  231    H    GLU  30           HN       GLU  30  -3.312  -0.727  -0.727
  232    HA   GLU  30           HA       GLU  30  -3.620  -2.007  -2.007
  233   1HB   GLU  30           HB2      GLU  30  -2.034  -3.209  -3.209
  234   2HB   GLU  30           HB1      GLU  30  -3.078  -3.116  -3.116
  235   1HG   GLU  30           HG1      GLU  30  -4.768  -4.507  -4.507
  236   2HG   GLU  30           HG2      GLU  30  -3.604  -4.691  -4.691
  237    H    PHE  31           HN       PHE  31  -5.702  -2.665  -2.665
  238    HA   PHE  31           HA       PHE  31  -7.854  -2.072  -2.072
  239   1HB   PHE  31           HB2      PHE  31  -7.781  -2.315  -2.315
  240   2HB   PHE  31           HB1      PHE  31  -9.224  -1.940  -1.940
  241    HD1  PHE  31           HD2      PHE  31  -5.768  -0.762  -0.762
  242    HD2  PHE  31           HD1      PHE  31  -9.663   0.270   0.270
  243    HE1  PHE  31           HE2      PHE  31  -5.116   1.631   1.631
  244    HE2  PHE  31           HE1      PHE  31  -9.011   2.663   2.663
  245    HZ   PHE  31           HZ       PHE  31  -6.747   3.345   3.345
  246    H    TYR  32           HN       TYR  32  -8.723  -3.884  -3.884
  247    HA   TYR  32           HA       TYR  32  -9.206  -6.284  -6.284
  248   1HB   TYR  32           HB1      TYR  32  -8.136  -7.729  -7.729
  249   2HB   TYR  32           HB2      TYR  32  -6.989  -6.509  -6.509
  250    HD1  TYR  32           HD2      TYR  32  -6.984  -4.266  -4.266
  251    HD2  TYR  32           HD1      TYR  32  -8.442  -8.058  -8.058
  252    HE1  TYR  32           HE2      TYR  32  -6.716  -3.507  -3.507
  253    HE2  TYR  32           HE1      TYR  32  -8.170  -7.299  -7.299
  254    HH   TYR  32           HH       TYR  32  -6.507  -5.378  -5.378
  255    H    ALA  33           HN       ALA  33 -10.154  -7.985  -7.985
  256    HA   ALA  33           HA       ALA  33 -12.211  -6.462  -6.462
  257   1HB   ALA  33           HB3      ALA  33 -12.962  -7.172  -7.172
  258   2HB   ALA  33           HB2      ALA  33 -12.825  -8.837  -8.837
  259   3HB   ALA  33           HB1      ALA  33 -13.975  -7.740  -7.740
  260    HA   PRO  34           HA       PRO  34 -11.400  -9.514  -9.514
  261   1HB   PRO  34           HB2      PRO  34 -13.864  -9.809  -9.809
  262   2HB   PRO  34           HB1      PRO  34 -12.837  -8.384  -8.384
  263   1HG   PRO  34           HG2      PRO  34 -15.168  -8.749  -8.749
  264   2HG   PRO  34           HG1      PRO  34 -14.735  -7.358  -7.358
  265   1HD   PRO  34           HD1      PRO  34 -14.260  -7.442  -7.442
  266   2HD   PRO  34           HD2      PRO  34 -13.228  -6.547  -6.547
  267    H    TRP  35           HN       TRP  35 -13.702 -10.072 -10.072
  268    HA   TRP  35           HA       TRP  35 -13.929 -12.964 -12.964
  269   1HB   TRP  35           HB2      TRP  35 -15.772 -12.906 -12.906
  270   2HB   TRP  35           HB1      TRP  35 -15.975 -11.631 -11.631
  271    HD1  TRP  35           HD1      TRP  35 -15.773  -9.146  -9.146
  272    HE1  TRP  35           HE1      TRP  35 -15.636  -8.035  -8.035
  273    HE3  TRP  35           HE3      TRP  35 -14.825 -13.251 -13.251
  274    HZ2  TRP  35           HZ2      TRP  35 -15.186  -8.789  -8.789
  275    HZ3  TRP  35           HZ3      TRP  35 -14.548 -13.027 -13.027
  276    HH2  TRP  35           HH2      TRP  35 -14.726 -10.803 -10.803
  277    H    CYS  36           HN       CYS  36 -12.168 -10.836 -10.836
  278    HA   CYS  36           HA       CYS  36 -11.859 -12.260 -12.260
  279   1HB   CYS  36           HB1      CYS  36 -10.931 -10.013 -10.013
  280   2HB   CYS  36           HB2      CYS  36  -9.699 -10.863 -10.863
  281    H    GLY  37           HN       GLY  37 -10.438 -13.962 -13.962
  282   1HA   GLY  37           HA2      GLY  37  -9.459 -15.651 -15.651
  283   2HA   GLY  37           HA1      GLY  37  -9.850 -16.251 -16.251
  284    H    HIS  38           HN       HIS  38  -8.475 -14.381 -14.381
  285    HA   HIS  38           HA       HIS  38  -5.725 -15.346 -15.346
  286   1HB   HIS  38           HB2      HIS  38  -7.386 -13.835 -13.835
  287   2HB   HIS  38           HB1      HIS  38  -5.637 -13.632 -13.632
  288    HD1  HIS  38           HD1      HIS  38  -4.280 -16.060 -16.060
  289    HD2  HIS  38           HD2      HIS  38  -8.262 -16.105 -16.105
  290    HE1  HIS  38           HE1      HIS  38  -4.610 -18.223 -18.223
  291    H    CYS  39           HN       CYS  39  -7.290 -12.919 -12.919
  292    HA   CYS  39           HA       CYS  39  -5.166 -10.873 -10.873
  293   1HB   CYS  39           HB2      CYS  39  -7.761 -11.106 -11.106
  294   2HB   CYS  39           HB1      CYS  39  -6.716  -9.686  -9.686
  295    H    LYS  40           HN       LYS  40  -5.093 -13.721 -13.721
  296    HA   LYS  40           HA       LYS  40  -3.971 -12.696 -12.696
  297   1HB   LYS  40           HB2      LYS  40  -4.613 -14.862 -14.862
  298   2HB   LYS  40           HB1      LYS  40  -6.004 -14.161 -14.161
  299   1HG   LYS  40           HG2      LYS  40  -6.043 -16.327 -16.327
  300   2HG   LYS  40           HG1      LYS  40  -5.068 -15.522 -15.522
  301   1HD   LYS  40           HD2      LYS  40  -3.160 -16.612 -16.612
  302   2HD   LYS  40           HD1      LYS  40  -3.565 -16.557 -16.557
  303   1HE   LYS  40           HE2      LYS  40  -4.574 -18.607 -18.607
  304   2HE   LYS  40           HE1      LYS  40  -5.350 -18.275 -18.275
  305   1HZ   LYS  40           HZ2      LYS  40  -2.455 -18.834 -18.834
  306   2HZ   LYS  40           HZ1      LYS  40  -3.591 -19.960 -19.960
  307   3HZ   LYS  40           HZ3      LYS  40  -3.241 -18.574 -18.574
  308    H    ALA  41           HN       ALA  41  -3.320 -14.464 -14.464
  309    HA   ALA  41           HA       ALA  41  -1.005 -15.941 -15.941
  310   1HB   ALA  41           HB2      ALA  41  -2.400 -15.210 -15.210
  311   2HB   ALA  41           HB1      ALA  41  -0.670 -15.499 -15.499
  312   3HB   ALA  41           HB3      ALA  41  -1.705 -16.757 -16.757
  313    H    LEU  42           HN       LEU  42  -1.520 -12.611 -12.611
  314    HA   LEU  42           HA       LEU  42   1.434 -12.143 -12.143
  315   1HB   LEU  42           HB1      LEU  42  -0.116 -11.476 -11.476
  316   2HB   LEU  42           HB2      LEU  42  -0.873 -10.334 -10.334
  317    HG   LEU  42           HG       LEU  42   1.489  -9.405  -9.405
  318   1HD1  LEU  42          HD12      LEU  42   2.020 -11.543 -11.543
  319   2HD1  LEU  42          HD11      LEU  42   2.605  -9.989  -9.989
  320   3HD1  LEU  42          HD13      LEU  42   3.156 -10.602 -10.602
  321   1HD2  LEU  42          HD22      LEU  42   0.178  -9.186  -9.186
  322   2HD2  LEU  42          HD21      LEU  42  -0.154  -8.180  -8.180
  323   3HD2  LEU  42          HD23      LEU  42   1.411  -8.078  -8.078
  324    H    ALA  43           HN       ALA  43  -1.450 -11.465 -11.465
  325    HA   ALA  43           HA       ALA  43  -0.949  -9.140  -9.140
  326   1HB   ALA  43           HB1      ALA  43  -2.393 -11.619 -11.619
  327   2HB   ALA  43           HB3      ALA  43  -1.791 -11.056 -11.056
  328   3HB   ALA  43           HB2      ALA  43  -2.814 -10.008 -10.008
  329    HA   PRO  44           HA       PRO  44   1.904 -11.360 -11.360
  330   1HB   PRO  44           HB2      PRO  44   2.869 -13.842 -13.842
  331   2HB   PRO  44           HB1      PRO  44   1.377 -13.587 -13.587
  332   1HG   PRO  44           HG2      PRO  44   1.744 -14.241 -14.241
  333   2HG   PRO  44           HG1      PRO  44   0.511 -14.809 -14.809
  334   1HD   PRO  44           HD1      PRO  44   0.072 -12.869 -12.869
  335   2HD   PRO  44           HD2      PRO  44  -0.824 -12.982 -12.982
  336    H    GLU  45           HN       GLU  45   2.339 -11.255 -11.255
  337    HA   GLU  45           HA       GLU  45   5.315 -11.170 -11.170
  338   1HB   GLU  45           HB2      GLU  45   3.436 -11.095 -11.095
  339   2HB   GLU  45           HB1      GLU  45   5.184 -11.297 -11.297
  340   1HG   GLU  45           HG2      GLU  45   4.756 -13.524 -13.524
  341   2HG   GLU  45           HG1      GLU  45   4.420 -13.293 -13.293
  342    H    TYR  46           HN       TYR  46   2.421  -9.345  -9.345
  343    HA   TYR  46           HA       TYR  46   3.523  -6.890  -6.890
  344   1HB   TYR  46           HB2      TYR  46   1.152  -7.963  -7.963
  345   2HB   TYR  46           HB1      TYR  46   1.001  -7.298  -7.298
  346    HD1  TYR  46           HD1      TYR  46   1.569  -4.830  -4.830
  347    HD2  TYR  46           HD2      TYR  46   0.722  -6.654  -6.654
  348    HE1  TYR  46           HE1      TYR  46   1.035  -2.584  -2.584
  349    HE2  TYR  46           HE2      TYR  46   0.186  -4.423  -4.423
  350    HH   TYR  46           HH       TYR  46  -0.306  -2.249  -2.249
  351    H    ALA  47           HN       ALA  47   2.574  -8.083  -8.083
  352    HA   ALA  47           HA       ALA  47   3.216  -5.622  -5.622
  353   1HB   ALA  47           HB1      ALA  47   2.589  -8.480  -8.480
  354   2HB   ALA  47           HB3      ALA  47   3.181  -7.411  -7.411
  355   3HB   ALA  47           HB2      ALA  47   1.693  -7.018  -7.018
  356    H    LYS  48           HN       LYS  48   5.119  -8.301  -8.301
  357    HA   LYS  48           HA       LYS  48   7.321  -7.936  -7.936
  358   1HB   LYS  48           HB2      LYS  48   6.404  -9.782  -9.782
  359   2HB   LYS  48           HB1      LYS  48   8.044  -9.304  -9.304
  360   1HG   LYS  48           HG2      LYS  48   8.965 -10.277 -10.277
  361   2HG   LYS  48           HG1      LYS  48   7.577  -9.882  -9.882
  362   1HD   LYS  48           HD2      LYS  48   6.400 -11.634 -11.634
  363   2HD   LYS  48           HD1      LYS  48   8.046 -12.263 -12.263
  364   1HE   LYS  48           HE2      LYS  48   6.907 -11.578 -11.578
  365   2HE   LYS  48           HE1      LYS  48   6.355 -13.069 -13.069
  366   1HZ   LYS  48           HZ2      LYS  48   9.193 -12.267 -12.267
  367   2HZ   LYS  48           HZ1      LYS  48   8.382 -13.452 -13.452
  368   3HZ   LYS  48           HZ3      LYS  48   8.655 -13.694 -13.694
  369    H    ALA  49           HN       ALA  49   6.472  -6.784  -6.784
  370    HA   ALA  49           HA       ALA  49   9.055  -5.815  -5.815
  371   1HB   ALA  49           HB3      ALA  49   6.474  -6.010  -6.010
  372   2HB   ALA  49           HB2      ALA  49   6.760  -4.272  -4.272
  373   3HB   ALA  49           HB1      ALA  49   7.863  -5.305  -5.305
  374    H    ALA  50           HN       ALA  50   6.608  -4.544  -4.544
  375    HA   ALA  50           HA       ALA  50   7.531  -1.784  -1.784
  376   1HB   ALA  50           HB2      ALA  50   5.243  -2.703  -2.703
  377   2HB   ALA  50           HB1      ALA  50   5.972  -3.268  -3.268
  378   3HB   ALA  50           HB3      ALA  50   5.917  -1.542  -1.542
  379    H    GLY  51           HN       GLY  51   8.497  -4.695  -4.695
  380   1HA   GLY  51           HA2      GLY  51   9.979  -3.196  -3.196
  381   2HA   GLY  51           HA1      GLY  51   9.869  -4.951  -4.951
  382    H    LYS  52           HN       LYS  52  10.577  -4.815  -4.815
  383    HA   LYS  52           HA       LYS  52  13.376  -5.256  -5.256
  384   1HB   LYS  52           HB2      LYS  52  11.301  -4.912  -4.912
  385   2HB   LYS  52           HB1      LYS  52  12.949  -4.583  -4.583
  386   1HG   LYS  52           HG2      LYS  52  12.692  -6.996  -6.996
  387   2HG   LYS  52           HG1      LYS  52  11.828  -7.087  -7.087
  388   1HD   LYS  52           HD2      LYS  52  13.760  -6.976  -6.976
  389   2HD   LYS  52           HD1      LYS  52  14.598  -5.981  -5.981
  390   1HE   LYS  52           HE2      LYS  52  15.693  -7.912  -7.912
  391   2HE   LYS  52           HE1      LYS  52  14.189  -8.355  -8.355
  392   1HZ   LYS  52           HZ1      LYS  52  13.353  -9.276  -9.276
  393   2HZ   LYS  52           HZ3      LYS  52  14.802  -8.877  -8.877
  394   3HZ   LYS  52           HZ2      LYS  52  14.800 -10.043 -10.043
  395    H    LEU  53           HN       LEU  53  11.550  -2.316  -2.316
  396    HA   LEU  53           HA       LEU  53  13.898  -0.754  -0.754
  397   1HB   LEU  53           HB1      LEU  53  12.250   1.085   1.085
  398   2HB   LEU  53           HB2      LEU  53  11.588  -0.331  -0.331
  399    HG   LEU  53           HG       LEU  53  10.902  -0.759  -0.759
  400   1HD1  LEU  53          HD11      LEU  53  11.629   1.880   1.880
  401   2HD1  LEU  53          HD13      LEU  53   9.908   1.992   1.992
  402   3HD1  LEU  53          HD12      LEU  53  10.444   1.199   1.199
  403   1HD2  LEU  53          HD22      LEU  53   9.343   0.536   0.536
  404   2HD2  LEU  53          HD21      LEU  53   9.446  -1.188  -1.188
  405   3HD2  LEU  53          HD23      LEU  53   8.609  -0.104  -0.104
  406    H    LYS  54           HN       LYS  54  12.301  -1.581  -1.581
  407    HA   LYS  54           HA       LYS  54  12.993   0.589   0.589
  408   1HB   LYS  54           HB2      LYS  54  11.883  -1.965  -1.965
  409   2HB   LYS  54           HB1      LYS  54  13.314  -2.050  -2.050
  410   1HG   LYS  54           HG2      LYS  54  11.366   0.250   0.250
  411   2HG   LYS  54           HG1      LYS  54  11.143  -1.234  -1.234
  412   1HD   LYS  54           HD2      LYS  54  13.871  -0.415  -0.415
  413   2HD   LYS  54           HD1      LYS  54  12.842   0.974   0.974
  414   1HE   LYS  54           HE2      LYS  54  12.333   0.101   0.101
  415   2HE   LYS  54           HE1      LYS  54  11.692  -1.358  -1.358
  416   1HZ   LYS  54           HZ1      LYS  54  14.596  -0.865  -0.865
  417   2HZ   LYS  54           HZ3      LYS  54  13.686  -1.705  -1.705
  418   3HZ   LYS  54           HZ2      LYS  54  13.824  -2.319  -2.319
  419    H    ALA  55           HN       ALA  55  14.891  -2.327  -2.327
  420    HA   ALA  55           HA       ALA  55  17.154  -1.812  -1.812
  421   1HB   ALA  55           HB3      ALA  55  16.356  -3.472  -3.472
  422   2HB   ALA  55           HB2      ALA  55  18.063  -3.038  -3.038
  423   3HB   ALA  55           HB1      ALA  55  17.429  -3.863  -3.863
  424    H    GLU  56           HN       GLU  56  16.111  -0.255  -0.255
  425    HA   GLU  56           HA       GLU  56  18.775   1.098   1.098
  426   1HB   GLU  56           HB1      GLU  56  18.059   1.515   1.515
  427   2HB   GLU  56           HB2      GLU  56  18.040  -0.205  -0.205
  428   1HG   GLU  56           HG2      GLU  56  15.645  -0.183  -0.183
  429   2HG   GLU  56           HG1      GLU  56  15.596   1.576   1.576
  430    H    GLY  57           HN       GLY  57  15.446   1.586   1.586
  431   1HA   GLY  57           HA1      GLY  57  14.390   3.535   3.535
  432   2HA   GLY  57           HA2      GLY  57  15.935   4.372   4.372
  433    H    SER  58           HN       SER  58  14.134   2.674   2.674
  434    HA   SER  58           HA       SER  58  14.506   4.759   4.759
  435   1HB   SER  58           HB2      SER  58  13.749   2.167   2.167
  436   2HB   SER  58           HB1      SER  58  12.165   2.925   2.925
  437    HG   SER  58           HG       SER  58  12.779   2.914   2.914
  438    H    GLU  59           HN       GLU  59  12.625   5.978   5.978
  439    HA   GLU  59           HA       GLU  59  10.871   7.088   7.088
  440   1HB   GLU  59           HB1      GLU  59  10.756   9.031   9.031
  441   2HB   GLU  59           HB2      GLU  59  12.425   8.605   8.605
  442   1HG   GLU  59           HG2      GLU  59  12.252   8.982   8.982
  443   2HG   GLU  59           HG1      GLU  59  12.499   7.258   7.258
  444    H    ILE  60           HN       ILE  60  10.170   4.581   4.581
  445    HA   ILE  60           HA       ILE  60   7.821   5.419   5.419
  446    HB   ILE  60           HB       ILE  60   8.019   3.197   3.197
  447   1HG1  ILE  60          HG11      ILE  60  10.239   2.792   2.792
  448   2HG1  ILE  60          HG12      ILE  60   8.704   1.933   1.933
  449   1HG2  ILE  60          HG22      ILE  60  10.081   5.209   5.209
  450   2HG2  ILE  60          HG21      ILE  60  10.812   3.619   3.619
  451   3HG2  ILE  60          HG23      ILE  60   9.533   4.167   4.167
  452   1HD1  ILE  60          HD11      ILE  60   9.622   1.498   1.498
  453   2HD1  ILE  60          HD13      ILE  60  11.140   1.563   1.563
  454   3HD1  ILE  60          HD12      ILE  60   9.899   0.394   0.394
  455    H    ARG  61           HN       ARG  61   5.769   4.489   4.489
  456    HA   ARG  61           HA       ARG  61   5.672   3.019   3.019
  457   1HB   ARG  61           HB2      ARG  61   4.458   5.531   5.531
  458   2HB   ARG  61           HB1      ARG  61   3.329   4.446   4.446
  459   1HG   ARG  61           HG1      ARG  61   5.453   4.277   4.277
  460   2HG   ARG  61           HG2      ARG  61   5.641   5.932   5.932
  461   1HD   ARG  61           HD2      ARG  61   3.856   6.638   6.638
  462   2HD   ARG  61           HD1      ARG  61   2.851   5.295   5.295
  463    HE   ARG  61           HE       ARG  61   4.422   5.300   5.300
  464   1HH1  ARG  61          HH21      ARG  61   5.539   2.912   2.912
  465   2HH1  ARG  61          HH22      ARG  61   4.351   1.688   1.688
  466   1HH2  ARG  61          HH11      ARG  61   1.788   3.950   3.950
  467   2HH2  ARG  61          HH12      ARG  61   2.226   2.276   2.276
  468    H    LEU  62           HN       LEU  62   3.927   1.502   1.502
  469    HA   LEU  62           HA       LEU  62   2.745   0.644   0.644
  470   1HB   LEU  62           HB2      LEU  62   3.822  -0.685  -0.685
  471   2HB   LEU  62           HB1      LEU  62   2.450  -1.472  -1.472
  472    HG   LEU  62           HG       LEU  62   3.970  -0.891  -0.891
  473   1HD1  LEU  62          HD11      LEU  62   5.708  -0.719  -0.719
  474   2HD1  LEU  62          HD13      LEU  62   6.266  -1.912  -1.912
  475   3HD1  LEU  62          HD12      LEU  62   6.027  -0.236  -0.236
  476   1HD2  LEU  62          HD22      LEU  62   3.523  -3.224  -3.224
  477   2HD2  LEU  62          HD21      LEU  62   3.437  -3.098  -3.098
  478   3HD2  LEU  62          HD23      LEU  62   4.995  -3.336  -3.336
  479    H    ALA  63           HN       ALA  63   0.468   0.113   0.113
  480    HA   ALA  63           HA       ALA  63  -1.098   0.576   0.576
  481   1HB   ALA  63           HB1      ALA  63  -0.569   2.781   2.781
  482   2HB   ALA  63           HB3      ALA  63  -1.623   2.209   2.209
  483   3HB   ALA  63           HB2      ALA  63  -2.274   2.465   2.465
  484    H    LYS  64           HN       LYS  64  -3.485   0.179   0.179
  485    HA   LYS  64           HA       LYS  64  -4.035  -1.466  -1.466
  486   1HB   LYS  64           HB2      LYS  64  -4.796  -3.320  -3.320
  487   2HB   LYS  64           HB1      LYS  64  -3.115  -2.931  -2.931
  488   1HG   LYS  64           HG2      LYS  64  -3.893  -1.510  -1.510
  489   2HG   LYS  64           HG1      LYS  64  -5.546  -2.034  -2.034
  490   1HD   LYS  64           HD2      LYS  64  -5.205  -3.917  -3.917
  491   2HD   LYS  64           HD1      LYS  64  -3.855  -4.348  -4.348
  492   1HE   LYS  64           HE1      LYS  64  -2.506  -2.612  -2.612
  493   2HE   LYS  64           HE2      LYS  64  -3.803  -2.835  -2.835
  494   1HZ   LYS  64           HZ1      LYS  64  -2.297  -5.046  -5.046
  495   2HZ   LYS  64           HZ3      LYS  64  -1.976  -4.463  -4.463
  496   3HZ   LYS  64           HZ2      LYS  64  -3.468  -5.204  -5.204
  497    H    VAL  65           HN       VAL  65  -6.389  -1.859  -1.859
  498    HA   VAL  65           HA       VAL  65  -8.104  -0.010  -0.010
  499    HB   VAL  65           HB       VAL  65  -7.913  -0.329  -0.329
  500   1HG1  VAL  65          HG11      VAL  65 -10.135   0.525   0.525
  501   2HG1  VAL  65          HG13      VAL  65  -9.629   1.800   1.800
  502   3HG1  VAL  65          HG12      VAL  65 -10.107   0.221   0.221
  503   1HG2  VAL  65          HG21      VAL  65  -6.838   1.538   1.538
  504   2HG2  VAL  65          HG23      VAL  65  -6.403   1.325   1.325
  505   3HG2  VAL  65          HG22      VAL  65  -7.767   2.356   2.356
  506    H    ASP  66           HN       ASP  66 -10.282  -0.704  -0.704
  507    HA   ASP  66           HA       ASP  66 -10.758  -3.571  -3.571
  508   1HB   ASP  66           HB1      ASP  66 -11.412  -1.700  -1.700
  509   2HB   ASP  66           HB2      ASP  66 -12.850  -2.537  -2.537
  510    H    ALA  67           HN       ALA  67 -11.388  -3.381  -3.381
  511    HA   ALA  67           HA       ALA  67 -12.959  -1.492  -1.492
  512   1HB   ALA  67           HB2      ALA  67 -12.770  -4.497  -4.497
  513   2HB   ALA  67           HB1      ALA  67 -13.725  -3.551  -3.551
  514   3HB   ALA  67           HB3      ALA  67 -11.988  -3.278  -3.278
  515    H    THR  68           HN       THR  68 -14.043  -3.857  -3.857
  516    HA   THR  68           HA       THR  68 -16.882  -3.599  -3.599
  517    HB   THR  68           HB       THR  68 -17.067  -4.888  -4.888
  518    HG1  THR  68           HG1      THR  68 -15.430  -4.470  -4.470
  519   1HG2  THR  68          HG21      THR  68 -16.619  -5.924  -5.924
  520   2HG2  THR  68          HG23      THR  68 -14.919  -5.994  -5.994
  521   3HG2  THR  68          HG22      THR  68 -16.122  -6.896  -6.896
  522    H    GLU  69           HN       GLU  69 -14.599  -1.752  -1.752
  523    HA   GLU  69           HA       GLU  69 -16.836  -0.316  -0.316
  524   1HB   GLU  69           HB1      GLU  69 -14.828  -1.630  -1.630
  525   2HB   GLU  69           HB2      GLU  69 -13.958  -0.137  -0.137
  526   1HG   GLU  69           HG1      GLU  69 -16.583  -0.329  -0.329
  527   2HG   GLU  69           HG2      GLU  69 -15.000  -0.065  -0.065
  528    H    GLU  70           HN       GLU  70 -14.000  -0.039  -0.039
  529    HA   GLU  70           HA       GLU  70 -14.467   2.919   2.919
  530   1HB   GLU  70           HB2      GLU  70 -11.945   1.342   1.342
  531   2HB   GLU  70           HB1      GLU  70 -12.093   3.092   3.092
  532   1HG   GLU  70           HG1      GLU  70 -12.711   2.844   2.844
  533   2HG   GLU  70           HG2      GLU  70 -12.609   1.096   1.096
  534    H    SER  71           HN       SER  71 -15.908   0.903   0.903
  535    HA   SER  71           HA       SER  71 -14.915   0.335   0.335
  536   1HB   SER  71           HB2      SER  71 -17.275   0.092   0.092
  537   2HB   SER  71           HB1      SER  71 -17.697   1.356   1.356
  538    HG   SER  71           HG       SER  71 -17.198  -1.307  -1.307
  539    H    ASP  72           HN       ASP  72 -15.843   3.430   3.430
  540    HA   ASP  72           HA       ASP  72 -16.313   4.920   4.920
  541   1HB   ASP  72           HB1      ASP  72 -15.417   5.435   5.435
  542   2HB   ASP  72           HB2      ASP  72 -15.253   6.748   6.748
  543    H    LEU  73           HN       LEU  73 -13.294   4.006   4.006
  544    HA   LEU  73           HA       LEU  73 -11.598   5.638   5.638
  545   1HB   LEU  73           HB1      LEU  73 -10.898   3.201   3.201
  546   2HB   LEU  73           HB2      LEU  73  -9.805   4.490   4.490
  547    HG   LEU  73           HG       LEU  73 -12.132   4.721   4.721
  548   1HD1  LEU  73          HD23      LEU  73  -9.169   4.545   4.545
  549   2HD1  LEU  73          HD22      LEU  73  -9.971   5.693   5.693
  550   3HD1  LEU  73          HD21      LEU  73 -10.413   3.986   3.986
  551   1HD2  LEU  73          HD13      LEU  73 -10.790   6.728   6.728
  552   2HD2  LEU  73          HD12      LEU  73 -12.258   6.872   6.872
  553   3HD2  LEU  73          HD11      LEU  73 -10.680   7.086   7.086
  554    H    ALA  74           HN       ALA  74 -12.624   2.248   2.248
  555    HA   ALA  74           HA       ALA  74 -10.964   1.398   1.398
  556   1HB   ALA  74           HB2      ALA  74 -13.077   0.370   0.370
  557   2HB   ALA  74           HB1      ALA  74 -13.088  -0.353  -0.353
  558   3HB   ALA  74           HB3      ALA  74 -11.636  -0.441  -0.441
  559    H    GLN  75           HN       GLN  75 -14.190   2.785   2.785
  560    HA   GLN  75           HA       GLN  75 -15.026   2.188   2.188
  561   1HB   GLN  75           HB2      GLN  75 -15.955   4.029   4.029
  562   2HB   GLN  75           HB1      GLN  75 -16.790   3.929   3.929
  563   1HG   GLN  75           HG1      GLN  75 -16.323   1.264   1.264
  564   2HG   GLN  75           HG2      GLN  75 -17.007   2.164   2.164
  565   1HE2  GLN  75          HE22      GLN  75 -20.124   1.367   1.367
  566   2HE2  GLN  75          HE21      GLN  75 -19.067   0.967   0.967
  567    H    GLN  76           HN       GLN  76 -13.338   4.845   4.845
  568    HA   GLN  76           HA       GLN  76 -13.605   6.707   6.707
  569   1HB   GLN  76           HB1      GLN  76 -12.295   6.516   6.516
  570   2HB   GLN  76           HB2      GLN  76 -11.509   7.592   7.592
  571   1HG   GLN  76           HG2      GLN  76 -14.486   7.696   7.696
  572   2HG   GLN  76           HG1      GLN  76 -13.335   8.636   8.636
  573   1HE2  GLN  76          HE22      GLN  76 -13.274  11.159  11.159
  574   2HE2  GLN  76          HE21      GLN  76 -13.228  10.736  10.736
  575    H    TYR  77           HN       TYR  77 -11.328   4.200   4.200
  576    HA   TYR  77           HA       TYR  77  -9.450   5.026   5.026
  577   1HB   TYR  77           HB1      TYR  77  -9.348   3.295   3.295
  578   2HB   TYR  77           HB2      TYR  77  -8.118   3.125   3.125
  579    HD1  TYR  77           HD2      TYR  77  -7.081   5.409   5.409
  580    HD2  TYR  77           HD1      TYR  77  -9.023   4.885   4.885
  581    HE1  TYR  77           HE2      TYR  77  -5.913   7.414   7.414
  582    HE2  TYR  77           HE1      TYR  77  -7.855   6.890   6.890
  583    HH   TYR  77           HH       TYR  77  -5.392   8.099   8.099
  584    H    GLY  78           HN       GLY  78 -11.981   2.781   2.781
  585   1HA   GLY  78           HA2      GLY  78 -12.798   0.986   0.986
  586   2HA   GLY  78           HA1      GLY  78 -11.797   1.590   1.590
  587    H    VAL  79           HN       VAL  79 -11.609  -0.296  -0.296
  588    HA   VAL  79           HA       VAL  79  -8.979  -1.335  -1.335
  589    HB   VAL  79           HB       VAL  79  -9.767  -3.036  -3.036
  590   1HG1  VAL  79          HG22      VAL  79  -9.557  -0.338  -0.338
  591   2HG1  VAL  79          HG21      VAL  79 -11.193  -0.639  -0.639
  592   3HG1  VAL  79          HG23      VAL  79  -9.831  -1.503  -1.503
  593   1HG2  VAL  79          HG12      VAL  79 -12.039  -3.231  -3.231
  594   2HG2  VAL  79          HG11      VAL  79 -12.064  -3.267  -3.267
  595   3HG2  VAL  79          HG13      VAL  79 -12.506  -1.791  -1.791
  596    H    ARG  80           HN       ARG  80  -8.622  -3.785  -3.785
  597    HA   ARG  80           HA       ARG  80 -10.352  -4.710  -4.710
  598   1HB   ARG  80           HB1      ARG  80  -7.362  -4.496  -4.496
  599   2HB   ARG  80           HB2      ARG  80  -8.056  -5.639  -5.639
  600   1HG   ARG  80           HG2      ARG  80  -9.342  -3.742  -3.742
  601   2HG   ARG  80           HG1      ARG  80  -8.487  -2.638  -2.638
  602   1HD   ARG  80           HD2      ARG  80  -6.773  -4.507  -4.507
  603   2HD   ARG  80           HD1      ARG  80  -7.575  -3.221  -3.221
  604    HE   ARG  80           HE       ARG  80  -6.144  -2.507  -2.507
  605   1HH1  ARG  80          HH11      ARG  80  -7.231  -0.375  -0.375
  606   2HH1  ARG  80          HH12      ARG  80  -5.849   0.085   0.085
  607   1HH2  ARG  80          HH21      ARG  80  -4.047  -2.777  -2.777
  608   2HH2  ARG  80          HH22      ARG  80  -4.046  -1.275  -1.275
  609    H    GLY  81           HN       GLY  81 -10.748  -5.568  -5.568
  610   1HA   GLY  81           HA2      GLY  81 -11.271  -7.750  -7.750
  611   2HA   GLY  81           HA1      GLY  81 -10.134  -8.443  -8.443
  612    H    TYR  82           HN       TYR  82 -10.566  -7.965  -7.965
  613    HA   TYR  82           HA       TYR  82  -7.925  -7.083  -7.083
  614   1HB   TYR  82           HB2      TYR  82  -9.995  -8.719  -8.719
  615   2HB   TYR  82           HB1      TYR  82  -8.749  -7.692  -7.692
  616    HD1  TYR  82           HD1      TYR  82  -8.993  -5.365  -5.365
  617    HD2  TYR  82           HD2      TYR  82 -11.940  -7.636  -7.636
  618    HE1  TYR  82           HE1      TYR  82 -10.548  -3.437  -3.437
  619    HE2  TYR  82           HE2      TYR  82 -13.495  -5.706  -5.706
  620    HH   TYR  82           HH       TYR  82 -13.885  -3.717  -3.717
  621    HA   PRO  83           HA       PRO  83  -6.783  -7.617  -7.617
  622   1HB   PRO  83           HB2      PRO  83  -4.089  -8.005  -8.005
  623   2HB   PRO  83           HB1      PRO  83  -5.275  -8.897  -8.897
  624   1HG   PRO  83           HG2      PRO  83  -3.738  -9.760  -9.760
  625   2HG   PRO  83           HG1      PRO  83  -4.240 -10.691 -10.691
  626   1HD   PRO  83           HD2      PRO  83  -5.478 -10.760 -10.760
  627   2HD   PRO  83           HD1      PRO  83  -6.232 -11.252 -11.252
  628    H    THR  84           HN       THR  84  -6.262  -5.547  -5.547
  629    HA   THR  84           HA       THR  84  -4.761  -5.310  -5.310
  630    HB   THR  84           HB       THR  84  -6.771  -3.386  -3.386
  631    HG1  THR  84           HG1      THR  84  -7.280  -5.280  -5.280
  632   1HG2  THR  84          HG23      THR  84  -5.011  -2.953  -2.953
  633   2HG2  THR  84          HG22      THR  84  -6.328  -3.679  -3.679
  634   3HG2  THR  84          HG21      THR  84  -6.618  -2.225  -2.225
  635    H    ILE  85           HN       ILE  85  -2.663  -4.923  -4.923
  636    HA   ILE  85           HA       ILE  85  -2.260  -2.979  -2.979
  637    HB   ILE  85           HB       ILE  85  -0.409  -4.670  -4.670
  638   1HG1  ILE  85          HG12      ILE  85  -0.182  -5.764  -5.764
  639   2HG1  ILE  85          HG11      ILE  85  -1.744  -4.999  -4.999
  640   1HG2  ILE  85          HG23      ILE  85   0.147  -2.960  -2.960
  641   2HG2  ILE  85          HG22      ILE  85   1.282  -4.129  -4.129
  642   3HG2  ILE  85          HG21      ILE  85   0.797  -2.720  -2.720
  643   1HD1  ILE  85          HD12      ILE  85  -1.451  -6.481  -6.481
  644   2HD1  ILE  85          HD11      ILE  85  -1.501  -7.457  -7.457
  645   3HD1  ILE  85          HD13      ILE  85  -2.837  -6.374  -6.374
  646    H    LYS  86           HN       LYS  86  -1.605  -0.870  -0.870
  647    HA   LYS  86           HA       LYS  86  -0.721  -0.082  -0.082
  648   1HB   LYS  86           HB1      LYS  86  -2.678   1.397   1.397
  649   2HB   LYS  86           HB2      LYS  86  -2.212   1.851   1.851
  650   1HG   LYS  86           HG2      LYS  86  -3.520  -0.795  -0.795
  651   2HG   LYS  86           HG1      LYS  86  -4.423   0.627   0.627
  652   1HD   LYS  86           HD2      LYS  86  -2.428   0.487   0.487
  653   2HD   LYS  86           HD1      LYS  86  -2.756  -1.216  -1.216
  654   1HE   LYS  86           HE2      LYS  86  -4.328  -0.689  -0.689
  655   2HE   LYS  86           HE1      LYS  86  -5.279  -0.490  -0.490
  656   1HZ   LYS  86           HZ1      LYS  86  -3.675   1.730   1.730
  657   2HZ   LYS  86           HZ3      LYS  86  -5.260   1.446   1.446
  658   3HZ   LYS  86           HZ2      LYS  86  -4.965   1.811   1.811
  659    H    PHE  87           HN       PHE  87   0.308   2.160   2.160
  660    HA   PHE  87           HA       PHE  87   1.641   2.684   2.684
  661   1HB   PHE  87           HB2      PHE  87   3.142   1.420   1.420
  662   2HB   PHE  87           HB1      PHE  87   2.831   2.520   2.520
  663    HD1  PHE  87           HD1      PHE  87   3.717   2.894   2.894
  664    HD2  PHE  87           HD2      PHE  87   4.591   3.976   3.976
  665    HE1  PHE  87           HE1      PHE  87   5.553   4.363   4.363
  666    HE2  PHE  87           HE2      PHE  87   6.427   5.446   5.446
  667    HZ   PHE  87           HZ       PHE  87   6.892   5.659   5.659
  668    H    PHE  88           HN       PHE  88   1.669   4.851   4.851
  669    HA   PHE  88           HA       PHE  88   0.764   6.792   6.792
  670   1HB   PHE  88           HB1      PHE  88   0.295   6.493   6.493
  671   2HB   PHE  88           HB2      PHE  88   0.015   8.029   8.029
  672    HD1  PHE  88           HD2      PHE  88  -1.534   8.061   8.061
  673    HD2  PHE  88           HD1      PHE  88  -1.287   4.738   4.738
  674    HE1  PHE  88           HE2      PHE  88  -3.724   7.234   7.234
  675    HE2  PHE  88           HE1      PHE  88  -3.477   3.910   3.910
  676    HZ   PHE  88           HZ       PHE  88  -4.676   5.124   5.124
  677    H    ARG  89           HN       ARG  89   1.550   9.101   9.101
  678    HA   ARG  89           HA       ARG  89   4.148   9.214   9.214
  679   1HB   ARG  89           HB1      ARG  89   4.427   8.393   8.393
  680   2HB   ARG  89           HB2      ARG  89   3.886   9.992   9.992
  681   1HG   ARG  89           HG2      ARG  89   5.743  10.849  10.849
  682   2HG   ARG  89           HG1      ARG  89   6.400   9.222   9.222
  683   1HD   ARG  89           HD2      ARG  89   6.430   9.515   9.515
  684   2HD   ARG  89           HD1      ARG  89   5.817  11.167  11.167
  685    HE   ARG  89           HE       ARG  89   7.974  11.176  11.176
  686   1HH1  ARG  89          HH11      ARG  89   9.810   9.464   9.464
  687   2HH1  ARG  89          HH12      ARG  89  10.432  10.047  10.047
  688   1HH2  ARG  89          HH21      ARG  89   7.783  12.215  12.215
  689   2HH2  ARG  89          HH22      ARG  89   9.285  11.605  11.605
  690    H    ASN  90           HN       ASN  90   4.237  11.140  11.140
  691    HA   ASN  90           HA       ASN  90   3.494  13.233  13.233
  692   1HB   ASN  90           HB2      ASN  90   4.347  14.859  14.859
  693   2HB   ASN  90           HB1      ASN  90   5.403  13.465  13.465
  694   1HD2  ASN  90          HD22      ASN  90   5.078  12.879  12.879
  695   2HD2  ASN  90          HD21      ASN  90   6.004  12.723  12.723
  696    H    GLY  91           HN       GLY  91   1.103  11.888  11.888
  697   1HA   GLY  91           HA1      GLY  91  -1.139  12.404  12.404
  698   2HA   GLY  91           HA2      GLY  91  -0.651  14.094  14.094
  699    H    ASP  92           HN       ASP  92   0.129  11.287  11.287
  700    HA   ASP  92           HA       ASP  92   0.262  12.802  12.802
  701   1HB   ASP  92           HB2      ASP  92   0.758  10.217  10.217
  702   2HB   ASP  92           HB1      ASP  92  -0.584  10.000  10.000
  703    H    THR  93           HN       THR  93  -2.303  10.541  10.541
  704    HA   THR  93           HA       THR  93  -4.563  10.365  10.365
  705    HB   THR  93           HB       THR  93  -5.743  12.474  12.474
  706    HG1  THR  93           HG1      THR  93  -3.263  13.767  13.767
  707   1HG2  THR  93          HG21      THR  93  -4.127  11.110  11.110
  708   2HG2  THR  93          HG23      THR  93  -3.594  12.779  12.779
  709   3HG2  THR  93          HG22      THR  93  -5.291  12.358  12.358
  710    H    ALA  94           HN       ALA  94  -3.100  10.089  10.089
  711    HA   ALA  94           HA       ALA  94  -4.854  11.174  11.174
  712   1HB   ALA  94           HB1      ALA  94  -2.429  12.593  12.593
  713   2HB   ALA  94           HB3      ALA  94  -2.461  12.251  12.251
  714   3HB   ALA  94           HB2      ALA  94  -3.774  13.165  13.165
  715    H    SER  95           HN       SER  95  -1.432  10.194  10.194
  716    HA   SER  95           HA       SER  95  -1.995   7.926   7.926
  717   1HB   SER  95           HB1      SER  95  -0.732  10.228  10.228
  718   2HB   SER  95           HB2      SER  95   0.643   9.282   9.282
  719    HG   SER  95           HG       SER  95  -1.225   8.613   8.613
  720    HA   PRO  96           HA       PRO  96   0.327   6.656   6.656
  721   1HB   PRO  96           HB1      PRO  96  -1.336   4.589   4.589
  722   2HB   PRO  96           HB2      PRO  96  -1.586   6.255   6.255
  723   1HG   PRO  96           HG2      PRO  96  -2.916   4.763   4.763
  724   2HG   PRO  96           HG1      PRO  96  -3.607   5.905   5.905
  725   1HD   PRO  96           HD2      PRO  96  -2.996   6.569   6.569
  726   2HD   PRO  96           HD1      PRO  96  -2.994   7.734   7.734
  727    H    LYS  97           HN       LYS  97   1.363   4.462   4.462
  728    HA   LYS  97           HA       LYS  97   1.739   3.087   3.087
  729   1HB   LYS  97           HB1      LYS  97   3.368   3.455   3.455
  730   2HB   LYS  97           HB2      LYS  97   3.824   2.278   2.278
  731   1HG   LYS  97           HG2      LYS  97   3.328   5.208   5.208
  732   2HG   LYS  97           HG1      LYS  97   4.927   4.539   4.539
  733   1HD   LYS  97           HD2      LYS  97   4.307   2.820   2.820
  734   2HD   LYS  97           HD1      LYS  97   3.123   4.041   4.041
  735   1HE   LYS  97           HE2      LYS  97   5.940   4.936   4.936
  736   2HE   LYS  97           HE1      LYS  97   5.579   4.118   4.118
  737   1HZ   LYS  97           HZ3      LYS  97   3.820   6.251   6.251
  738   2HZ   LYS  97           HZ2      LYS  97   5.200   6.637   6.637
  739   3HZ   LYS  97           HZ1      LYS  97   3.969   5.681   5.681
  740    H    GLU  98           HN       GLU  98   0.257   1.385   1.385
  741    HA   GLU  98           HA       GLU  98  -0.692  -0.074  -0.074
  742   1HB   GLU  98           HB2      GLU  98  -1.435  -1.671  -1.671
  743   2HB   GLU  98           HB1      GLU  98  -1.819   0.005   0.005
  744   1HG   GLU  98           HG1      GLU  98  -0.686  -0.241  -0.241
  745   2HG   GLU  98           HG2      GLU  98   0.791  -0.445  -0.445
  746    H    TYR  99           HN       TYR  99   0.102  -1.925  -1.925
  747    HA   TYR  99           HA       TYR  99   2.913  -2.604  -2.604
  748   1HB   TYR  99           HB1      TYR  99   1.717  -2.537  -2.537
  749   2HB   TYR  99           HB2      TYR  99   0.699  -3.873  -3.873
  750    HD1  TYR  99           HD1      TYR  99   4.361  -3.271  -3.271
  751    HD2  TYR  99           HD2      TYR  99   1.313  -5.744  -5.744
  752    HE1  TYR  99           HE1      TYR  99   6.093  -4.881  -4.881
  753    HE2  TYR  99           HE2      TYR  99   3.047  -7.358  -7.358
  754    HH   TYR  99           HH       TYR  99   6.485  -6.648  -6.648
  755    H    THR 100           HN       THR 100   3.287  -3.673  -3.673
  756    HA   THR 100           HA       THR 100   1.488  -5.634  -5.634
  757    HB   THR 100           HB       THR 100   3.367  -5.954  -5.954
  758    HG1  THR 100           HG1      THR 100   5.315  -5.634  -5.634
  759   1HG2  THR 100          HG22      THR 100   2.183  -3.429  -3.429
  760   2HG2  THR 100          HG21      THR 100   3.830  -3.164  -3.164
  761   3HG2  THR 100          HG23      THR 100   2.668  -4.015  -4.015
  762    H    ALA 101           HN       ALA 101   4.564  -5.898  -5.898
  763    HA   ALA 101           HA       ALA 101   4.820  -8.729  -8.729
  764   1HB   ALA 101           HB3      ALA 101   5.926  -6.428  -6.428
  765   2HB   ALA 101           HB2      ALA 101   5.770  -7.784  -7.784
  766   3HB   ALA 101           HB1      ALA 101   6.700  -7.969  -7.969
  767    H    GLY 102           HN       GLY 102   4.865  -9.550  -9.550
  768   1HA   GLY 102           HA2      GLY 102   3.017  -9.229  -9.229
  769   2HA   GLY 102           HA1      GLY 102   1.944  -9.714  -9.714
  770    H    ARG 103           HN       ARG 103   4.620 -10.794 -10.794
  771    HA   ARG 103           HA       ARG 103   3.608 -13.555 -13.555
  772   1HB   ARG 103           HB2      ARG 103   5.480 -12.671 -12.671
  773   2HB   ARG 103           HB1      ARG 103   6.457 -13.492 -13.492
  774   1HG   ARG 103           HG2      ARG 103   5.424 -15.545 -15.545
  775   2HG   ARG 103           HG1      ARG 103   3.938 -14.808 -14.808
  776   1HD   ARG 103           HD2      ARG 103   5.651 -13.944 -13.944
  777   2HD   ARG 103           HD1      ARG 103   6.432 -15.477 -15.477
  778    HE   ARG 103           HE       ARG 103   4.244 -16.598 -16.598
  779   1HH1  ARG 103          HH21      ARG 103   3.707 -13.312 -13.312
  780   2HH1  ARG 103          HH22      ARG 103   2.896 -13.406 -13.406
  781   1HH2  ARG 103          HH11      ARG 103   3.623 -16.762 -16.762
  782   2HH2  ARG 103          HH12      ARG 103   2.849 -15.359 -15.359
  783    H    GLU 104           HN       GLU 104   6.247 -11.394 -11.394
  784    HA   GLU 104           HA       GLU 104   6.087 -12.496 -12.496
  785   1HB   GLU 104           HB1      GLU 104   8.575 -12.516 -12.516
  786   2HB   GLU 104           HB2      GLU 104   8.539 -12.941 -12.941
  787   1HG   GLU 104           HG2      GLU 104   6.720 -14.656 -14.656
  788   2HG   GLU 104           HG1      GLU 104   7.265 -14.391 -14.391
  789    H    ALA 105           HN       ALA 105   7.067 -11.039 -11.039
  790    HA   ALA 105           HA       ALA 105   6.751  -8.303  -8.303
  791   1HB   ALA 105           HB1      ALA 105   7.727 -10.083 -10.083
  792   2HB   ALA 105           HB3      ALA 105   9.082  -8.987  -8.987
  793   3HB   ALA 105           HB2      ALA 105   7.518  -8.347  -8.347
  794    H    ASP 106           HN       ASP 106   9.593 -10.220 -10.220
  795    HA   ASP 106           HA       ASP 106  11.385  -8.047  -8.047
  796   1HB   ASP 106           HB2      ASP 106  11.074 -10.848 -10.848
  797   2HB   ASP 106           HB1      ASP 106  12.435  -9.810  -9.810
  798    H    ASP 107           HN       ASP 107   8.949  -9.647  -9.647
  799    HA   ASP 107           HA       ASP 107   9.568  -8.386  -8.386
  800   1HB   ASP 107           HB1      ASP 107   7.038  -9.484  -9.484
  801   2HB   ASP 107           HB2      ASP 107   7.109  -8.944  -8.944
  802    H    ILE 108           HN       ILE 108   7.463  -7.378  -7.378
  803    HA   ILE 108           HA       ILE 108   6.366  -5.051  -5.051
  804    HB   ILE 108           HB       ILE 108   6.850  -5.762  -5.762
  805   1HG1  ILE 108          HG12      ILE 108   4.378  -6.073  -6.073
  806   2HG1  ILE 108          HG11      ILE 108   5.490  -7.386  -7.386
  807   1HG2  ILE 108          HG21      ILE 108   5.360  -3.541  -3.541
  808   2HG2  ILE 108          HG23      ILE 108   4.715  -4.210  -4.210
  809   3HG2  ILE 108          HG22      ILE 108   6.329  -3.498  -3.498
  810   1HD1  ILE 108          HD13      ILE 108   5.071  -6.677  -6.677
  811   2HD1  ILE 108          HD12      ILE 108   3.640  -5.872  -5.872
  812   3HD1  ILE 108          HD11      ILE 108   3.832  -7.617  -7.617
  813    H    VAL 109           HN       VAL 109   9.284  -5.568  -5.568
  814    HA   VAL 109           HA       VAL 109   9.956  -2.725  -2.725
  815    HB   VAL 109           HB       VAL 109  11.549  -5.261  -5.261
  816   1HG1  VAL 109          HG22      VAL 109  12.794  -3.026  -3.026
  817   2HG1  VAL 109          HG21      VAL 109  12.091  -2.515  -2.515
  818   3HG1  VAL 109          HG23      VAL 109  13.168  -3.910  -3.910
  819   1HG2  VAL 109          HG12      VAL 109   9.428  -3.907  -3.907
  820   2HG2  VAL 109          HG11      VAL 109  10.214  -5.443  -5.443
  821   3HG2  VAL 109          HG13      VAL 109  10.913  -3.935  -3.935
  822    H    ASN 110           HN       ASN 110  10.866  -5.521  -5.521
  823    HA   ASN 110           HA       ASN 110  13.012  -4.339  -4.339
  824   1HB   ASN 110           HB2      ASN 110  11.782  -6.763  -6.763
  825   2HB   ASN 110           HB1      ASN 110  11.160  -6.223  -6.223
  826   1HD2  ASN 110          HD22      ASN 110  14.841  -7.711  -7.711
  827   2HD2  ASN 110          HD21      ASN 110  13.643  -7.973  -7.973
  828    H    TRP 111           HN       TRP 111   9.509  -4.167  -4.167
  829    HA   TRP 111           HA       TRP 111   9.630  -2.786  -2.786
  830   1HB   TRP 111           HB1      TRP 111   7.812  -4.353  -4.353
  831   2HB   TRP 111           HB2      TRP 111   7.220  -2.780  -2.780
  832    HD1  TRP 111           HD1      TRP 111   7.853  -4.823  -4.823
  833    HE1  TRP 111           HE1      TRP 111   6.489  -3.789  -3.789
  834    HE3  TRP 111           HE3      TRP 111   6.091  -0.630  -0.630
  835    HZ2  TRP 111           HZ2      TRP 111   4.863  -1.485  -1.485
  836    HZ3  TRP 111           HZ3      TRP 111   4.640   0.966   0.966
  837    HH2  TRP 111           HH2      TRP 111   4.023   0.545   0.545
  838    H    LEU 112           HN       LEU 112   9.481  -2.015  -2.015
  839    HA   LEU 112           HA       LEU 112   8.740   0.792   0.792
  840   1HB   LEU 112           HB2      LEU 112   9.061  -1.182  -1.182
  841   2HB   LEU 112           HB1      LEU 112   9.887   0.306   0.306
  842    HG   LEU 112           HG       LEU 112   7.513   0.307   0.307
  843   1HD1  LEU 112          HD21      LEU 112   8.888   2.360   2.360
  844   2HD1  LEU 112          HD23      LEU 112   7.557   2.300   2.300
  845   3HD1  LEU 112          HD22      LEU 112   7.224   2.534   2.534
  846   1HD2  LEU 112          HD13      LEU 112   7.135  -0.745  -0.745
  847   2HD2  LEU 112          HD12      LEU 112   5.933  -0.532  -0.532
  848   3HD2  LEU 112          HD11      LEU 112   6.241   0.770   0.770
  849    H    LYS 113           HN       LYS 113  11.735  -1.074  -1.074
  850    HA   LYS 113           HA       LYS 113  13.353   1.400   1.400
  851   1HB   LYS 113           HB2      LYS 113  13.556  -1.437  -1.437
  852   2HB   LYS 113           HB1      LYS 113  15.001  -0.856  -0.856
  853   1HG   LYS 113           HG2      LYS 113  15.478   0.723   0.723
  854   2HG   LYS 113           HG1      LYS 113  13.815   0.750   0.750
  855   1HD   LYS 113           HD2      LYS 113  14.059  -1.485  -1.485
  856   2HD   LYS 113           HD1      LYS 113  15.679  -1.626  -1.626
  857   1HE   LYS 113           HE2      LYS 113  15.712   0.783   0.783
  858   2HE   LYS 113           HE1      LYS 113  14.880  -0.395  -0.395
  859   1HZ   LYS 113           HZ3      LYS 113  17.400  -0.964  -0.964
  860   2HZ   LYS 113           HZ2      LYS 113  17.344  -0.490  -0.490
  861   3HZ   LYS 113           HZ1      LYS 113  16.637  -1.956  -1.956
  862    H    LYS 114           HN       LYS 114  11.880   0.205   0.205
  863    HA   LYS 114           HA       LYS 114  14.110  -0.271  -0.271
  864   1HB   LYS 114           HB2      LYS 114  11.269  -0.602  -0.602
  865   2HB   LYS 114           HB1      LYS 114  11.643   0.343   0.343
  866   1HG   LYS 114           HG2      LYS 114  13.451  -1.405  -1.405
  867   2HG   LYS 114           HG1      LYS 114  12.686  -2.393  -2.393
  868   1HD   LYS 114           HD2      LYS 114  11.316  -3.137  -3.137
  869   2HD   LYS 114           HD1      LYS 114  10.542  -1.555  -1.555
  870   1HE   LYS 114           HE2      LYS 114  13.025  -1.822  -1.822
  871   2HE   LYS 114           HE1      LYS 114  11.488  -2.422  -2.422
  872   1HZ   LYS 114           HZ2      LYS 114  10.474  -0.286  -0.286
  873   2HZ   LYS 114           HZ1      LYS 114  12.000   0.290   0.290
  874   3HZ   LYS 114           HZ3      LYS 114  11.711  -0.096  -0.096
  875    H    ARG 115           HN       ARG 115  12.311   2.486   2.486
  876    HA   ARG 115           HA       ARG 115  13.877   4.230   4.230
  877   1HB   ARG 115           HB2      ARG 115  11.555   3.627   3.627
  878   2HB   ARG 115           HB1      ARG 115  10.903   4.533   4.533
  879   1HG   ARG 115           HG2      ARG 115  12.739   6.307   6.307
  880   2HG   ARG 115           HG1      ARG 115  12.190   5.520   5.520
  881   1HD   ARG 115           HD2      ARG 115  10.159   6.435   6.435
  882   2HD   ARG 115           HD1      ARG 115  10.850   7.597   7.597
  883    HE   ARG 115           HE       ARG 115   9.261   5.191   5.191
  884   1HH1  ARG 115          HH21      ARG 115  10.174   4.883   4.883
  885   2HH1  ARG 115          HH22      ARG 115   9.972   6.303   6.303
  886   1HH2  ARG 115          HH11      ARG 115   9.372   8.387   8.387
  887   2HH2  ARG 115          HH12      ARG 115   9.518   8.288   8.288
  888    H    THR 116           HN       THR 116  14.758   4.147   4.147
  889    HA   THR 116           HA       THR 116  13.705   6.638   6.638
  890    HB   THR 116           HB       THR 116  14.068   5.219   5.219
  891    HG1  THR 116           HG1      THR 116  14.345   3.188   3.188
  892   1HG2  THR 116          HG22      THR 116  11.859   5.903   5.903
  893   2HG2  THR 116          HG21      THR 116  11.610   4.223   4.223
  894   3HG2  THR 116          HG23      THR 116  11.835   5.464   5.464
  895    H    GLY 117           HN       GLY 117  16.145   4.066   4.066
  896   1HA   GLY 117           HA1      GLY 117  18.109   6.182   6.182
  897   2HA   GLY 117           HA2      GLY 117  18.304   4.457   4.457
  898    HA   PRO 118           HA       PRO 118  20.640   5.592   5.592
  899   1HB   PRO 118           HB2      PRO 118  23.052   4.570   4.570
  900   2HB   PRO 118           HB1      PRO 118  22.550   6.238   6.238
  901   1HG   PRO 118           HG2      PRO 118  22.529   3.849   3.849
  902   2HG   PRO 118           HG1      PRO 118  22.930   5.532   5.532
  903   1HD   PRO 118           HD2      PRO 118  20.538   4.375   4.375
  904   2HD   PRO 118           HD1      PRO 118  20.743   6.116   6.116
  905    H    ALA 119           HN       ALA 119  22.252   3.818   3.818
  906    HA   ALA 119           HA       ALA 119  20.953   1.135   1.135
  907   1HB   ALA 119           HB3      ALA 119  20.892   2.978   2.978
  908   2HB   ALA 119           HB2      ALA 119  21.870   1.603   1.603
  909   3HB   ALA 119           HB1      ALA 119  20.217   1.350   1.350
  910    H    ALA 120           HN       ALA 120  23.675   2.497   2.497
  911    HA   ALA 120           HA       ALA 120  25.349   0.195   0.195
  912   1HB   ALA 120           HB2      ALA 120  25.189   2.001   2.001
  913   2HB   ALA 120           HB1      ALA 120  26.761   1.307   1.307
  914   3HB   ALA 120           HB3      ALA 120  25.391   0.250   0.250

  Start of MODEL   38
    1   1H    ASP   1           HT2      ASP   1  -8.603   9.974   9.974
    2   2H    ASP   1           HT1      ASP   1  -8.364  11.655  11.655
    3   3H    ASP   1           HT3      ASP   1  -7.311  10.685  10.685
    4    HA   ASP   1           HA       ASP   1  -6.101  11.119  11.119
    5   1HB   ASP   1           HB2      ASP   1  -7.237  11.062  11.062
    6   2HB   ASP   1           HB1      ASP   1  -8.078  12.151  12.151
    7    H    ALA   2           HN       ALA   2  -5.238   9.486   9.486
    8    HA   ALA   2           HA       ALA   2  -4.526   7.275   7.275
    9   1HB   ALA   2           HB2      ALA   2  -7.024   7.481   7.481
   10   2HB   ALA   2           HB1      ALA   2  -7.359   6.492   6.492
   11   3HB   ALA   2           HB3      ALA   2  -6.322   5.869   5.869
   12    HA   PRO   3           HA       PRO   3  -4.140   6.214   6.214
   13   1HB   PRO   3           HB2      PRO   3  -1.492   5.544   5.544
   14   2HB   PRO   3           HB1      PRO   3  -2.059   7.213   7.213
   15   1HG   PRO   3           HG2      PRO   3  -1.034   5.824   5.824
   16   2HG   PRO   3           HG1      PRO   3  -0.839   7.509   7.509
   17   1HD   PRO   3           HD2      PRO   3  -2.614   6.638   6.638
   18   2HD   PRO   3           HD1      PRO   3  -2.762   8.160   8.160
   19    H    GLU   4           HN       GLU   4  -4.945   4.198   4.198
   20    HA   GLU   4           HA       GLU   4  -4.301   1.901   1.901
   21   1HB   GLU   4           HB1      GLU   4  -6.616   2.527   2.527
   22   2HB   GLU   4           HB2      GLU   4  -6.098   2.098   2.098
   23   1HG   GLU   4           HG2      GLU   4  -6.973   0.362   0.362
   24   2HG   GLU   4           HG1      GLU   4  -6.620  -0.045  -0.045
   25    H    GLU   5           HN       GLU   5  -3.664  -0.192  -0.192
   26    HA   GLU   5           HA       GLU   5  -2.300   0.093   0.093
   27   1HB   GLU   5           HB1      GLU   5  -0.196  -0.760  -0.760
   28   2HB   GLU   5           HB2      GLU   5  -0.683   0.781   0.781
   29   1HG   GLU   5           HG2      GLU   5  -1.888  -0.622  -0.622
   30   2HG   GLU   5           HG1      GLU   5  -0.952  -1.986  -1.986
   31    H    GLU   6           HN       GLU   6  -1.722  -2.022  -2.022
   32    HA   GLU   6           HA       GLU   6  -3.239  -4.292  -4.292
   33   1HB   GLU   6           HB2      GLU   6  -3.064  -3.134  -3.134
   34   2HB   GLU   6           HB1      GLU   6  -3.105  -4.895  -4.895
   35   1HG   GLU   6           HG2      GLU   6  -5.037  -3.743  -3.743
   36   2HG   GLU   6           HG1      GLU   6  -5.303  -3.147  -3.147
   37    H    ASP   7           HN       ASP   7  -1.864  -5.884  -5.884
   38    HA   ASP   7           HA       ASP   7   0.048  -7.257  -7.257
   39   1HB   ASP   7           HB2      ASP   7   0.929  -7.887  -7.887
   40   2HB   ASP   7           HB1      ASP   7  -0.127  -6.651  -6.651
   41    H    HIS   8           HN       HIS   8   1.442  -5.514  -5.514
   42    HA   HIS   8           HA       HIS   8   3.240  -4.042  -4.042
   43   1HB   HIS   8           HB2      HIS   8   3.847  -5.965  -5.965
   44   2HB   HIS   8           HB1      HIS   8   5.007  -4.696  -4.696
   45    HD1  HIS   8           HD1      HIS   8   4.638  -4.639  -4.639
   46    HD2  HIS   8           HD2      HIS   8   5.086  -8.137  -8.137
   47    HE1  HIS   8           HE1      HIS   8   5.493  -6.404  -6.404
   48    H    VAL   9           HN       VAL   9   1.047  -3.728  -3.728
   49    HA   VAL   9           HA       VAL   9   2.505  -1.447  -1.447
   50    HB   VAL   9           HB       VAL   9   0.814  -1.824  -1.824
   51   1HG1  VAL   9          HG21      VAL   9   3.079  -3.288  -3.288
   52   2HG1  VAL   9          HG23      VAL   9   1.867  -4.541  -4.541
   53   3HG1  VAL   9          HG22      VAL   9   2.199  -3.353  -3.353
   54   1HG2  VAL   9          HG12      VAL   9  -0.577  -3.149  -3.149
   55   2HG2  VAL   9          HG11      VAL   9  -0.964  -3.188  -3.188
   56   3HG2  VAL   9          HG13      VAL   9   0.029  -4.461  -4.461
   57    H    LEU  10           HN       LEU  10   0.786   0.261   0.261
   58    HA   LEU  10           HA       LEU  10  -0.779   1.058   1.058
   59   1HB   LEU  10           HB1      LEU  10   0.952   2.352   2.352
   60   2HB   LEU  10           HB2      LEU  10  -0.618   2.842   2.842
   61    HG   LEU  10           HG       LEU  10   0.176   4.413   4.413
   62   1HD1  LEU  10          HD21      LEU  10  -2.327   3.393   3.393
   63   2HD1  LEU  10          HD23      LEU  10  -2.011   3.011   3.011
   64   3HD1  LEU  10          HD22      LEU  10  -1.920   4.682   4.682
   65   1HD2  LEU  10          HD12      LEU  10   1.073   2.076   2.076
   66   2HD2  LEU  10          HD11      LEU  10   1.110   3.703   3.703
   67   3HD2  LEU  10          HD13      LEU  10  -0.253   2.637   2.637
   68    H    VAL  11           HN       VAL  11  -3.018   1.594   1.594
   69    HA   VAL  11           HA       VAL  11  -4.393   0.403   0.403
   70    HB   VAL  11           HB       VAL  11  -4.835  -0.536  -0.536
   71   1HG1  VAL  11          HG22      VAL  11  -5.709   2.309   2.309
   72   2HG1  VAL  11          HG21      VAL  11  -6.154   0.942   0.942
   73   3HG1  VAL  11          HG23      VAL  11  -4.459   1.389   1.389
   74   1HG2  VAL  11          HG11      VAL  11  -6.662   0.074   0.074
   75   2HG2  VAL  11          HG13      VAL  11  -7.036  -0.862  -0.862
   76   3HG2  VAL  11          HG12      VAL  11  -7.380   0.867   0.867
   77    H    LEU  12           HN       LEU  12  -5.907   1.692   1.692
   78    HA   LEU  12           HA       LEU  12  -6.015   4.577   4.577
   79   1HB   LEU  12           HB2      LEU  12  -5.965   3.308   3.308
   80   2HB   LEU  12           HB1      LEU  12  -6.050   5.040   5.040
   81    HG   LEU  12           HG       LEU  12  -3.804   3.193   3.193
   82   1HD1  LEU  12          HD21      LEU  12  -4.015   5.295   5.295
   83   2HD1  LEU  12          HD23      LEU  12  -2.486   4.607   4.607
   84   3HD1  LEU  12          HD22      LEU  12  -3.697   3.574   3.574
   85   1HD2  LEU  12          HD11      LEU  12  -4.377   6.126   6.126
   86   2HD2  LEU  12          HD13      LEU  12  -3.933   4.911   4.911
   87   3HD2  LEU  12          HD12      LEU  12  -2.730   5.498   5.498
   88    H    ARG  13           HN       ARG  13  -7.967   5.687   5.687
   89    HA   ARG  13           HA       ARG  13 -10.294   3.919   3.919
   90   1HB   ARG  13           HB1      ARG  13 -11.532   4.868   4.868
   91   2HB   ARG  13           HB2      ARG  13  -9.983   4.300   4.300
   92   1HG   ARG  13           HG2      ARG  13  -9.414   6.899   6.899
   93   2HG   ARG  13           HG1      ARG  13 -11.055   7.024   7.024
   94   1HD   ARG  13           HD1      ARG  13  -8.779   5.653   5.653
   95   2HD   ARG  13           HD2      ARG  13  -9.312   7.317   7.317
   96    HE   ARG  13           HE       ARG  13 -11.179   4.977   4.977
   97   1HH1  ARG  13          HH11      ARG  13 -12.328   7.725   7.725
   98   2HH1  ARG  13          HH12      ARG  13 -12.346   7.999   7.999
   99   1HH2  ARG  13          HH21      ARG  13 -10.133   5.425   5.425
  100   2HH2  ARG  13          HH22      ARG  13 -11.105   6.696   6.696
  101    H    LYS  14           HN       LYS  14 -12.041   6.346   6.346
  102    HA   LYS  14           HA       LYS  14 -11.868   7.511   7.511
  103   1HB   LYS  14           HB2      LYS  14 -13.712   7.343   7.343
  104   2HB   LYS  14           HB1      LYS  14 -13.775   8.896   8.896
  105   1HG   LYS  14           HG1      LYS  14 -14.034   7.673   7.673
  106   2HG   LYS  14           HG2      LYS  14 -14.095   6.157   6.157
  107   1HD   LYS  14           HD2      LYS  14 -15.931   8.099   8.099
  108   2HD   LYS  14           HD1      LYS  14 -16.259   7.857   7.857
  109   1HE   LYS  14           HE2      LYS  14 -16.434   5.440   5.440
  110   2HE   LYS  14           HE1      LYS  14 -15.971   5.611   5.611
  111   1HZ   LYS  14           HZ1      LYS  14 -17.873   7.183   7.183
  112   2HZ   LYS  14           HZ3      LYS  14 -18.375   6.737   6.737
  113   3HZ   LYS  14           HZ2      LYS  14 -18.336   5.579   5.579
  114    H    SER  15           HN       SER  15 -11.021   8.538   8.538
  115    HA   SER  15           HA       SER  15 -10.362  11.263  11.263
  116   1HB   SER  15           HB1      SER  15 -11.940  11.112  11.112
  117   2HB   SER  15           HB2      SER  15 -10.773  10.168  10.168
  118    HG   SER  15           HG       SER  15 -10.996  12.787  12.787
  119    H    ASN  16           HN       ASN  16  -8.746   8.446   8.446
  120    HA   ASN  16           HA       ASN  16  -6.278   9.746   9.746
  121   1HB   ASN  16           HB2      ASN  16  -7.464   7.004   7.004
  122   2HB   ASN  16           HB1      ASN  16  -5.712   7.152   7.152
  123   1HD2  ASN  16          HD22      ASN  16  -6.974   7.281   7.281
  124   2HD2  ASN  16          HD21      ASN  16  -6.906   6.132   6.132
  125    H    PHE  17           HN       PHE  17  -7.671   7.946   7.946
  126    HA   PHE  17           HA       PHE  17  -5.408   7.077   7.077
  127   1HB   PHE  17           HB1      PHE  17  -7.866   6.777   6.777
  128   2HB   PHE  17           HB2      PHE  17  -7.858   8.409   8.409
  129    HD1  PHE  17           HD2      PHE  17  -6.037   8.925   8.925
  130    HD2  PHE  17           HD1      PHE  17  -7.257   4.961   4.961
  131    HE1  PHE  17           HE2      PHE  17  -5.125   8.046   8.046
  132    HE2  PHE  17           HE1      PHE  17  -6.345   4.082   4.082
  133    HZ   PHE  17           HZ       PHE  17  -5.283   5.624   5.624
  134    H    ALA  18           HN       ALA  18  -7.076  10.142  10.142
  135    HA   ALA  18           HA       ALA  18  -4.996  11.260  11.260
  136   1HB   ALA  18           HB3      ALA  18  -7.444  11.978  11.978
  137   2HB   ALA  18           HB2      ALA  18  -6.837  12.822  12.822
  138   3HB   ALA  18           HB1      ALA  18  -6.258  13.271  13.271
  139    H    GLU  19           HN       GLU  19  -5.579  11.456  11.456
  140    HA   GLU  19           HA       GLU  19  -3.556  13.315  13.315
  141   1HB   GLU  19           HB1      GLU  19  -5.423  12.276  12.276
  142   2HB   GLU  19           HB2      GLU  19  -4.415  10.839  10.839
  143   1HG   GLU  19           HG2      GLU  19  -2.689  12.062  12.062
  144   2HG   GLU  19           HG1      GLU  19  -3.467  13.605  13.605
  145    H    ALA  20           HN       ALA  20  -3.396   9.743   9.743
  146    HA   ALA  20           HA       ALA  20  -0.698   9.392   9.392
  147   1HB   ALA  20           HB3      ALA  20  -2.774   7.811   7.811
  148   2HB   ALA  20           HB2      ALA  20  -1.878   7.713   7.713
  149   3HB   ALA  20           HB1      ALA  20  -1.113   7.216   7.216
  150    H    LEU  21           HN       LEU  21  -2.095  10.009  10.009
  151    HA   LEU  21           HA       LEU  21   0.369   9.827   9.827
  152   1HB   LEU  21           HB1      LEU  21  -2.157  11.410  11.410
  153   2HB   LEU  21           HB2      LEU  21  -0.961  10.920  10.920
  154    HG   LEU  21           HG       LEU  21  -2.716   9.079   9.079
  155   1HD1  LEU  21          HD12      LEU  21  -2.957  10.317  10.317
  156   2HD1  LEU  21          HD11      LEU  21  -2.911   8.559   8.559
  157   3HD1  LEU  21          HD13      LEU  21  -4.127   9.326   9.326
  158   1HD2  LEU  21          HD22      LEU  21  -0.348   8.568   8.568
  159   2HD2  LEU  21          HD21      LEU  21  -0.700   7.883   7.883
  160   3HD2  LEU  21          HD23      LEU  21  -1.616   7.355   7.355
  161    H    ALA  22           HN       ALA  22  -1.423  12.623  12.623
  162    HA   ALA  22           HA       ALA  22   0.568  14.572  14.572
  163   1HB   ALA  22           HB1      ALA  22  -1.811  14.475  14.475
  164   2HB   ALA  22           HB3      ALA  22  -0.817  15.926  15.926
  165   3HB   ALA  22           HB2      ALA  22  -1.660  15.312  15.312
  166    H    ALA  23           HN       ALA  23   0.215  12.412  12.412
  167    HA   ALA  23           HA       ALA  23   1.715  13.810  13.810
  168   1HB   ALA  23           HB3      ALA  23   0.626  11.173  11.173
  169   2HB   ALA  23           HB2      ALA  23   2.197  11.046  11.046
  170   3HB   ALA  23           HB1      ALA  23   0.896  11.962  11.962
  171    H    HIS  24           HN       HIS  24   2.866  11.119  11.119
  172    HA   HIS  24           HA       HIS  24   5.614  12.311  12.311
  173   1HB   HIS  24           HB1      HIS  24   4.520   9.727   9.727
  174   2HB   HIS  24           HB2      HIS  24   5.639   9.556   9.556
  175    HD1  HIS  24           HD1      HIS  24   7.697   8.655   8.655
  176    HD2  HIS  24           HD2      HIS  24   6.164  12.020  12.020
  177    HE1  HIS  24           HE1      HIS  24   9.382   9.293   9.293
  178    H    LYS  25           HN       LYS  25   6.714  10.593  10.593
  179    HA   LYS  25           HA       LYS  25   5.586  11.902  11.902
  180   1HB   LYS  25           HB1      LYS  25   8.171  11.277  11.277
  181   2HB   LYS  25           HB2      LYS  25   7.985  10.413  10.413
  182   1HG   LYS  25           HG2      LYS  25   8.126  12.324  12.324
  183   2HG   LYS  25           HG1      LYS  25   6.949  13.134  13.134
  184   1HD   LYS  25           HD2      LYS  25   9.803  12.675  12.675
  185   2HD   LYS  25           HD1      LYS  25   9.325  14.114  14.114
  186   1HE   LYS  25           HE2      LYS  25   7.389  14.065  14.065
  187   2HE   LYS  25           HE1      LYS  25   8.780  13.408  13.408
  188   1HZ   LYS  25           HZ1      LYS  25   9.028  15.770  15.770
  189   2HZ   LYS  25           HZ3      LYS  25   8.595  15.930  15.930
  190   3HZ   LYS  25           HZ2      LYS  25  10.093  15.245  15.245
  191    H    TYR  26           HN       TYR  26   7.122   8.714   8.714
  192    HA   TYR  26           HA       TYR  26   5.453   7.500   7.500
  193   1HB   TYR  26           HB2      TYR  26   7.458   6.258   6.258
  194   2HB   TYR  26           HB1      TYR  26   6.901   5.581   5.581
  195    HD1  TYR  26           HD2      TYR  26   6.974   7.737   7.737
  196    HD2  TYR  26           HD1      TYR  26   9.697   6.899   6.899
  197    HE1  TYR  26           HE2      TYR  26   8.768   8.957   8.957
  198    HE2  TYR  26           HE1      TYR  26  11.490   8.119   8.119
  199    HH   TYR  26           HH       TYR  26  11.529   8.751   8.751
  200    H    LEU  27           HN       LEU  27   3.465   6.622   6.622
  201    HA   LEU  27           HA       LEU  27   3.031   5.588   5.588
  202   1HB   LEU  27           HB2      LEU  27   1.529   7.488   7.488
  203   2HB   LEU  27           HB1      LEU  27   0.550   6.330   6.330
  204    HG   LEU  27           HG       LEU  27   0.796   8.317   8.317
  205   1HD1  LEU  27          HD11      LEU  27   1.174   5.901   5.901
  206   2HD1  LEU  27          HD13      LEU  27   2.816   6.490   6.490
  207   3HD1  LEU  27          HD12      LEU  27   1.448   7.320   7.320
  208   1HD2  LEU  27          HD21      LEU  27   3.242   8.554   8.554
  209   2HD2  LEU  27          HD23      LEU  27   2.690   9.559   9.559
  210   3HD2  LEU  27          HD22      LEU  27   3.698   8.145   8.145
  211    H    LEU  28           HN       LEU  28   2.457   3.459   3.459
  212    HA   LEU  28           HA       LEU  28   1.431   2.270   2.270
  213   1HB   LEU  28           HB1      LEU  28   3.449   1.539   1.539
  214   2HB   LEU  28           HB2      LEU  28   2.118   0.457   0.457
  215    HG   LEU  28           HG       LEU  28   3.568  -0.504  -0.504
  216   1HD1  LEU  28          HD23      LEU  28   0.813  -0.397  -0.397
  217   2HD1  LEU  28          HD22      LEU  28   1.170   0.112   0.112
  218   3HD1  LEU  28          HD21      LEU  28   1.758  -1.443  -1.443
  219   1HD2  LEU  28          HD11      LEU  28   4.015   1.918   1.918
  220   2HD2  LEU  28          HD13      LEU  28   3.962   0.574   0.574
  221   3HD2  LEU  28          HD12      LEU  28   2.564   1.636   1.636
  222    H    VAL  29           HN       VAL  29  -0.687   1.651   1.651
  223    HA   VAL  29           HA       VAL  29  -2.084   0.981   0.981
  224    HB   VAL  29           HB       VAL  29  -2.374   3.351   3.351
  225   1HG1  VAL  29          HG12      VAL  29  -2.139   2.971   2.971
  226   2HG1  VAL  29          HG11      VAL  29  -3.595   3.906   3.906
  227   3HG1  VAL  29          HG13      VAL  29  -2.028   4.469   4.469
  228   1HG2  VAL  29          HG23      VAL  29  -4.767   1.964   1.964
  229   2HG2  VAL  29          HG22      VAL  29  -4.468   2.296   2.296
  230   3HG2  VAL  29          HG21      VAL  29  -4.812   3.623   3.623
  231    H    GLU  30           HN       GLU  30  -3.380  -0.736  -0.736
  232    HA   GLU  30           HA       GLU  30  -4.210  -1.296  -1.296
  233   1HB   GLU  30           HB2      GLU  30  -2.506  -2.810  -2.810
  234   2HB   GLU  30           HB1      GLU  30  -3.454  -3.090  -3.090
  235   1HG   GLU  30           HG2      GLU  30  -5.306  -3.871  -3.871
  236   2HG   GLU  30           HG1      GLU  30  -3.932  -4.085  -4.085
  237    H    PHE  31           HN       PHE  31  -6.340  -2.169  -2.169
  238    HA   PHE  31           HA       PHE  31  -8.219  -1.587  -1.587
  239   1HB   PHE  31           HB2      PHE  31  -8.463  -1.883  -1.883
  240   2HB   PHE  31           HB1      PHE  31  -9.857  -1.680  -1.680
  241    HD1  PHE  31           HD2      PHE  31  -6.533  -0.123  -0.123
  242    HD2  PHE  31           HD1      PHE  31 -10.586   0.476   0.476
  243    HE1  PHE  31           HE2      PHE  31  -6.170   2.330   2.330
  244    HE2  PHE  31           HE1      PHE  31 -10.224   2.929   2.929
  245    HZ   PHE  31           HZ       PHE  31  -8.017   3.856   3.856
  246    H    TYR  32           HN       TYR  32  -8.558  -3.480  -3.480
  247    HA   TYR  32           HA       TYR  32  -9.108  -5.972  -5.972
  248   1HB   TYR  32           HB2      TYR  32  -7.932  -7.212  -7.212
  249   2HB   TYR  32           HB1      TYR  32  -6.915  -5.830  -5.830
  250    HD1  TYR  32           HD2      TYR  32  -6.660  -3.958  -3.958
  251    HD2  TYR  32           HD1      TYR  32  -9.084  -7.365  -7.365
  252    HE1  TYR  32           HE2      TYR  32  -6.691  -3.250  -3.250
  253    HE2  TYR  32           HE1      TYR  32  -9.115  -6.656  -6.656
  254    HH   TYR  32           HH       TYR  32  -7.042  -4.212  -4.212
  255    H    ALA  33           HN       ALA  33 -10.373  -7.593  -7.593
  256    HA   ALA  33           HA       ALA  33 -12.428  -6.103  -6.103
  257   1HB   ALA  33           HB1      ALA  33 -12.663  -8.067  -8.067
  258   2HB   ALA  33           HB3      ALA  33 -13.961  -7.940  -7.940
  259   3HB   ALA  33           HB2      ALA  33 -13.504  -6.534  -6.534
  260    HA   PRO  34           HA       PRO  34 -11.895  -9.240  -9.240
  261   1HB   PRO  34           HB1      PRO  34 -14.462  -9.752  -9.752
  262   2HB   PRO  34           HB2      PRO  34 -13.578  -8.275  -8.275
  263   1HG   PRO  34           HG2      PRO  34 -15.620  -8.713  -8.713
  264   2HG   PRO  34           HG1      PRO  34 -15.426  -7.344  -7.344
  265   1HD   PRO  34           HD1      PRO  34 -14.596  -7.256  -7.256
  266   2HD   PRO  34           HD2      PRO  34 -13.778  -6.370  -6.370
  267    H    TRP  35           HN       TRP  35 -13.605  -9.890  -9.890
  268    HA   TRP  35           HA       TRP  35 -13.413 -12.832 -12.832
  269   1HB   TRP  35           HB2      TRP  35 -15.511 -13.030 -13.030
  270   2HB   TRP  35           HB1      TRP  35 -15.736 -12.066 -12.066
  271    HD1  TRP  35           HD1      TRP  35 -16.299  -9.538  -9.538
  272    HE1  TRP  35           HE1      TRP  35 -16.882  -8.053  -8.053
  273    HE3  TRP  35           HE3      TRP  35 -14.990 -12.679 -12.679
  274    HZ2  TRP  35           HZ2      TRP  35 -16.806  -8.178  -8.178
  275    HZ3  TRP  35           HZ3      TRP  35 -15.256 -11.970 -11.970
  276    HH2  TRP  35           HH2      TRP  35 -16.162  -9.725  -9.725
  277    H    CYS  36           HN       CYS  36 -12.081 -10.406 -10.406
  278    HA   CYS  36           HA       CYS  36 -12.205 -11.177 -11.177
  279   1HB   CYS  36           HB2      CYS  36  -9.998 -10.018 -10.018
  280   2HB   CYS  36           HB1      CYS  36 -11.176  -9.119  -9.119
  281    H    GLY  37           HN       GLY  37 -11.168 -12.795 -12.795
  282   1HA   GLY  37           HA2      GLY  37 -10.270 -15.168 -15.168
  283   2HA   GLY  37           HA1      GLY  37  -9.925 -14.744 -14.744
  284    H    HIS  38           HN       HIS  38  -8.013 -16.048 -16.048
  285    HA   HIS  38           HA       HIS  38  -5.759 -15.834 -15.834
  286   1HB   HIS  38           HB2      HIS  38  -6.155 -13.579 -13.579
  287   2HB   HIS  38           HB1      HIS  38  -4.571 -14.038 -14.038
  288    HD1  HIS  38           HD1      HIS  38  -3.967 -16.694 -16.694
  289    HD2  HIS  38           HD2      HIS  38  -6.958 -15.108 -15.108
  290    HE1  HIS  38           HE1      HIS  38  -4.235 -18.295 -18.295
  291    H    CYS  39           HN       CYS  39  -5.112 -12.551 -12.551
  292    HA   CYS  39           HA       CYS  39  -4.881 -10.850 -10.850
  293   1HB   CYS  39           HB2      CYS  39  -7.331 -12.232 -12.232
  294   2HB   CYS  39           HB1      CYS  39  -6.789 -10.611 -10.611
  295    H    LYS  40           HN       LYS  40  -3.934 -13.800 -13.800
  296    HA   LYS  40           HA       LYS  40  -3.023 -13.374 -13.374
  297   1HB   LYS  40           HB2      LYS  40  -4.277 -15.849 -15.849
  298   2HB   LYS  40           HB1      LYS  40  -3.410 -15.872 -15.872
  299   1HG   LYS  40           HG2      LYS  40  -5.122 -14.884 -14.884
  300   2HG   LYS  40           HG1      LYS  40  -5.445 -13.751 -13.751
  301   1HD   LYS  40           HD2      LYS  40  -6.361 -15.854 -15.854
  302   2HD   LYS  40           HD1      LYS  40  -6.460 -16.558 -16.558
  303   1HE   LYS  40           HE2      LYS  40  -7.902 -14.737 -14.737
  304   2HE   LYS  40           HE1      LYS  40  -7.730 -13.916 -13.916
  305   1HZ   LYS  40           HZ2      LYS  40  -8.684 -16.712 -16.712
  306   2HZ   LYS  40           HZ1      LYS  40  -9.748 -15.388 -15.388
  307   3HZ   LYS  40           HZ3      LYS  40  -8.771 -15.692 -15.692
  308    H    ALA  41           HN       ALA  41  -2.697 -15.272 -15.272
  309    HA   ALA  41           HA       ALA  41  -0.176 -16.447 -16.447
  310   1HB   ALA  41           HB3      ALA  41  -2.046 -15.877 -15.877
  311   2HB   ALA  41           HB2      ALA  41  -0.429 -15.484 -15.484
  312   3HB   ALA  41           HB1      ALA  41  -0.777 -17.103 -17.103
  313    H    LEU  42           HN       LEU  42  -0.998 -13.096 -13.096
  314    HA   LEU  42           HA       LEU  42   1.921 -12.421 -12.421
  315   1HB   LEU  42           HB2      LEU  42   0.085 -11.986 -11.986
  316   2HB   LEU  42           HB1      LEU  42  -0.261 -10.573 -10.573
  317    HG   LEU  42           HG       LEU  42   2.271 -10.127 -10.127
  318   1HD1  LEU  42          HD11      LEU  42   2.886 -12.389 -12.389
  319   2HD1  LEU  42          HD13      LEU  42   2.055 -12.043 -12.043
  320   3HD1  LEU  42          HD12      LEU  42   3.484 -11.114 -11.114
  321   1HD2  LEU  42          HD22      LEU  42   0.470  -8.928  -8.928
  322   2HD2  LEU  42          HD21      LEU  42   2.088  -8.886  -8.886
  323   3HD2  LEU  42          HD23      LEU  42   0.876  -9.999  -9.999
  324    H    ALA  43           HN       ALA  43  -0.365 -12.582 -12.582
  325    HA   ALA  43           HA       ALA  43  -0.558  -9.926  -9.926
  326   1HB   ALA  43           HB2      ALA  43  -1.281 -12.679 -12.679
  327   2HB   ALA  43           HB1      ALA  43  -0.793 -11.793 -11.793
  328   3HB   ALA  43           HB3      ALA  43  -2.107 -11.183 -11.183
  329    HA   PRO  44           HA       PRO  44   2.995 -11.228 -11.228
  330   1HB   PRO  44           HB2      PRO  44   4.343 -13.552 -13.552
  331   2HB   PRO  44           HB1      PRO  44   2.914 -13.473 -13.473
  332   1HG   PRO  44           HG2      PRO  44   3.144 -14.336 -14.336
  333   2HG   PRO  44           HG1      PRO  44   2.153 -15.007 -15.007
  334   1HD   PRO  44           HD1      PRO  44   1.176 -13.379 -13.379
  335   2HD   PRO  44           HD2      PRO  44   0.469 -13.498 -13.498
  336    H    GLU  45           HN       GLU  45   3.051 -11.274 -11.274
  337    HA   GLU  45           HA       GLU  45   5.995 -10.919 -10.919
  338   1HB   GLU  45           HB2      GLU  45   3.763 -10.947 -10.947
  339   2HB   GLU  45           HB1      GLU  45   5.489 -10.998 -10.998
  340   1HG   GLU  45           HG1      GLU  45   5.451 -13.236 -13.236
  341   2HG   GLU  45           HG2      GLU  45   4.960 -13.056 -13.056
  342    H    TYR  46           HN       TYR  46   2.932  -9.230  -9.230
  343    HA   TYR  46           HA       TYR  46   4.152  -6.712  -6.712
  344   1HB   TYR  46           HB2      TYR  46   2.014  -6.962  -6.962
  345   2HB   TYR  46           HB1      TYR  46   1.474  -7.916  -7.916
  346    HD1  TYR  46           HD2      TYR  46   2.095  -4.492  -4.492
  347    HD2  TYR  46           HD1      TYR  46   0.422  -6.875  -6.875
  348    HE1  TYR  46           HE2      TYR  46   0.977  -2.482  -2.482
  349    HE2  TYR  46           HE1      TYR  46  -0.696  -4.868  -4.868
  350    HH   TYR  46           HH       TYR  46   0.122  -1.797  -1.797
  351    H    ALA  47           HN       ALA  47   3.346  -8.270  -8.270
  352    HA   ALA  47           HA       ALA  47   3.433  -5.762  -5.762
  353   1HB   ALA  47           HB1      ALA  47   1.888  -7.624  -7.624
  354   2HB   ALA  47           HB3      ALA  47   3.268  -8.692  -8.692
  355   3HB   ALA  47           HB2      ALA  47   2.991  -7.328  -7.328
  356    H    LYS  48           HN       LYS  48   5.652  -8.191  -8.191
  357    HA   LYS  48           HA       LYS  48   7.600  -7.715  -7.715
  358   1HB   LYS  48           HB2      LYS  48   7.000  -9.704  -9.704
  359   2HB   LYS  48           HB1      LYS  48   8.637  -9.134  -9.134
  360   1HG   LYS  48           HG2      LYS  48   9.154 -10.687 -10.687
  361   2HG   LYS  48           HG1      LYS  48   8.782  -9.336  -9.336
  362   1HD   LYS  48           HD2      LYS  48   6.288 -10.393 -10.393
  363   2HD   LYS  48           HD1      LYS  48   7.297 -11.840 -11.840
  364   1HE   LYS  48           HE2      LYS  48   8.139 -10.107 -10.107
  365   2HE   LYS  48           HE1      LYS  48   6.391 -10.390 -10.390
  366   1HZ   LYS  48           HZ3      LYS  48   8.444 -12.497 -12.497
  367   2HZ   LYS  48           HZ2      LYS  48   7.657 -12.186 -12.186
  368   3HZ   LYS  48           HZ1      LYS  48   6.773 -12.749 -12.749
  369    H    ALA  49           HN       ALA  49   6.961  -6.623  -6.623
  370    HA   ALA  49           HA       ALA  49   9.566  -5.598  -5.598
  371   1HB   ALA  49           HB2      ALA  49   6.816  -5.522  -5.522
  372   2HB   ALA  49           HB1      ALA  49   7.672  -4.008  -4.008
  373   3HB   ALA  49           HB3      ALA  49   8.328  -5.526  -5.526
  374    H    ALA  50           HN       ALA  50   6.698  -4.071  -4.071
  375    HA   ALA  50           HA       ALA  50   7.825  -1.447  -1.447
  376   1HB   ALA  50           HB3      ALA  50   5.389  -2.465  -2.465
  377   2HB   ALA  50           HB2      ALA  50   5.831  -2.603  -2.603
  378   3HB   ALA  50           HB1      ALA  50   5.831  -1.024  -1.024
  379    H    GLY  51           HN       GLY  51   7.978  -4.350  -4.350
  380   1HA   GLY  51           HA2      GLY  51   9.053  -3.046  -3.046
  381   2HA   GLY  51           HA1      GLY  51   9.129  -4.776  -4.776
  382    H    LYS  52           HN       LYS  52  10.407  -4.168  -4.168
  383    HA   LYS  52           HA       LYS  52  13.170  -4.311  -4.311
  384   1HB   LYS  52           HB2      LYS  52  11.785  -4.026  -4.026
  385   2HB   LYS  52           HB1      LYS  52  13.522  -4.275  -4.275
  386   1HG   LYS  52           HG2      LYS  52  12.242  -6.198  -6.198
  387   2HG   LYS  52           HG1      LYS  52  11.425  -6.233  -6.233
  388   1HD   LYS  52           HD2      LYS  52  13.155  -7.585  -7.585
  389   2HD   LYS  52           HD1      LYS  52  14.041  -6.069  -6.069
  390   1HE   LYS  52           HE2      LYS  52  14.743  -6.290  -6.290
  391   2HE   LYS  52           HE1      LYS  52  14.011  -7.907  -7.907
  392   1HZ   LYS  52           HZ2      LYS  52  15.350  -8.307  -8.307
  393   2HZ   LYS  52           HZ1      LYS  52  16.231  -6.911  -6.911
  394   3HZ   LYS  52           HZ3      LYS  52  16.233  -8.243  -8.243
  395    H    LEU  53           HN       LEU  53  11.093  -1.656  -1.656
  396    HA   LEU  53           HA       LEU  53  13.252   0.186   0.186
  397   1HB   LEU  53           HB1      LEU  53  10.442   0.985   0.985
  398   2HB   LEU  53           HB2      LEU  53  11.503   1.703   1.703
  399    HG   LEU  53           HG       LEU  53  10.117  -0.986  -0.986
  400   1HD1  LEU  53          HD23      LEU  53   9.513   1.743   1.743
  401   2HD1  LEU  53          HD22      LEU  53   9.443   0.534   0.534
  402   3HD1  LEU  53          HD21      LEU  53   8.444   0.349   0.349
  403   1HD2  LEU  53          HD12      LEU  53  11.990   0.411   0.411
  404   2HD2  LEU  53          HD11      LEU  53  12.360  -1.048  -1.048
  405   3HD2  LEU  53          HD13      LEU  53  11.113  -1.084  -1.084
  406    H    LYS  54           HN       LYS  54  11.118  -0.458  -0.458
  407    HA   LYS  54           HA       LYS  54  11.655   1.673   1.673
  408   1HB   LYS  54           HB2      LYS  54  10.786  -1.093  -1.093
  409   2HB   LYS  54           HB1      LYS  54  11.716  -0.663  -0.663
  410   1HG   LYS  54           HG2      LYS  54   9.687   1.305   1.305
  411   2HG   LYS  54           HG1      LYS  54   9.090  -0.162  -0.162
  412   1HD   LYS  54           HD2      LYS  54  10.686   0.299   0.299
  413   2HD   LYS  54           HD1      LYS  54  11.022   1.863   1.863
  414   1HE   LYS  54           HE2      LYS  54   8.187   1.584   1.584
  415   2HE   LYS  54           HE1      LYS  54   8.809   1.157   1.157
  416   1HZ   LYS  54           HZ3      LYS  54  10.245   3.153   3.153
  417   2HZ   LYS  54           HZ2      LYS  54   9.447   3.597   3.597
  418   3HZ   LYS  54           HZ1      LYS  54   8.590   3.524   3.524
  419    H    ALA  55           HN       ALA  55  13.630  -1.294  -1.294
  420    HA   ALA  55           HA       ALA  55  15.672  -0.418  -0.418
  421   1HB   ALA  55           HB3      ALA  55  15.396  -2.572  -2.572
  422   2HB   ALA  55           HB2      ALA  55  16.883  -2.377  -2.377
  423   3HB   ALA  55           HB1      ALA  55  15.370  -2.750  -2.750
  424    H    GLU  56           HN       GLU  56  15.057   0.113   0.113
  425    HA   GLU  56           HA       GLU  56  17.825   0.943   0.943
  426   1HB   GLU  56           HB1      GLU  56  15.270   0.434   0.434
  427   2HB   GLU  56           HB2      GLU  56  16.298   1.671   1.671
  428   1HG   GLU  56           HG2      GLU  56  18.107  -0.322  -0.322
  429   2HG   GLU  56           HG1      GLU  56  16.684  -1.237  -1.237
  430    H    GLY  57           HN       GLY  57  14.633   2.546   2.546
  431   1HA   GLY  57           HA1      GLY  57  14.294   4.712   4.712
  432   2HA   GLY  57           HA2      GLY  57  15.984   5.084   5.084
  433    H    SER  58           HN       SER  58  13.949   3.551   3.551
  434    HA   SER  58           HA       SER  58  14.513   5.547   5.547
  435   1HB   SER  58           HB2      SER  58  12.233   3.557   3.557
  436   2HB   SER  58           HB1      SER  58  13.091   4.170   4.170
  437    HG   SER  58           HG       SER  58  13.986   2.223   2.223
  438    H    GLU  59           HN       GLU  59  12.471   6.483   6.483
  439    HA   GLU  59           HA       GLU  59  10.722   7.845   7.845
  440   1HB   GLU  59           HB2      GLU  59  10.769   9.690   9.690
  441   2HB   GLU  59           HB1      GLU  59  12.357   9.328   9.328
  442   1HG   GLU  59           HG2      GLU  59  12.762   9.431   9.431
  443   2HG   GLU  59           HG1      GLU  59  12.566   7.702   7.702
  444    H    ILE  60           HN       ILE  60  10.299   5.292   5.292
  445    HA   ILE  60           HA       ILE  60   8.010   6.023   6.023
  446    HB   ILE  60           HB       ILE  60   8.474   3.875   3.875
  447   1HG1  ILE  60          HG12      ILE  60  10.538   3.536   3.536
  448   2HG1  ILE  60          HG11      ILE  60   9.076   2.577   2.577
  449   1HG2  ILE  60          HG23      ILE  60  10.376   6.022   6.022
  450   2HG2  ILE  60          HG22      ILE  60  11.235   4.498   4.498
  451   3HG2  ILE  60          HG21      ILE  60  10.017   5.002   5.002
  452   1HD1  ILE  60          HD12      ILE  60  10.445   2.504   2.504
  453   2HD1  ILE  60          HD11      ILE  60  11.662   2.236   2.236
  454   3HD1  ILE  60          HD13      ILE  60  10.248   1.184   1.184
  455    H    ARG  61           HN       ARG  61   6.025   4.812   4.812
  456    HA   ARG  61           HA       ARG  61   5.853   3.097   3.097
  457   1HB   ARG  61           HB2      ARG  61   4.750   5.797   5.797
  458   2HB   ARG  61           HB1      ARG  61   3.593   4.635   4.635
  459   1HG   ARG  61           HG1      ARG  61   5.192   4.072   4.072
  460   2HG   ARG  61           HG2      ARG  61   6.313   5.279   5.279
  461   1HD   ARG  61           HD2      ARG  61   4.834   7.080   7.080
  462   2HD   ARG  61           HD1      ARG  61   3.472   5.974   5.974
  463    HE   ARG  61           HE       ARG  61   5.426   5.084   5.084
  464   1HH1  ARG  61          HH11      ARG  61   6.402   7.860   7.860
  465   2HH1  ARG  61          HH12      ARG  61   5.392   8.532   8.532
  466   1HH2  ARG  61          HH21      ARG  61   3.000   6.032   6.032
  467   2HH2  ARG  61          HH22      ARG  61   3.466   7.496   7.496
  468    H    LEU  62           HN       LEU  62   3.912   1.766   1.766
  469    HA   LEU  62           HA       LEU  62   2.456   1.665   1.665
  470   1HB   LEU  62           HB2      LEU  62   2.602  -0.894  -0.894
  471   2HB   LEU  62           HB1      LEU  62   4.060  -0.060  -0.060
  472    HG   LEU  62           HG       LEU  62   4.367  -1.846  -1.846
  473   1HD1  LEU  62          HD12      LEU  62   5.590   0.675   0.675
  474   2HD1  LEU  62          HD11      LEU  62   5.437   0.415   0.415
  475   3HD1  LEU  62          HD13      LEU  62   6.281  -0.769  -0.769
  476   1HD2  LEU  62          HD22      LEU  62   2.272  -1.030  -1.030
  477   2HD2  LEU  62          HD21      LEU  62   3.681  -1.509  -1.509
  478   3HD2  LEU  62          HD23      LEU  62   3.337   0.197   0.197
  479    H    ALA  63           HN       ALA  63   0.400   0.268   0.268
  480    HA   ALA  63           HA       ALA  63  -0.671  -0.169  -0.169
  481   1HB   ALA  63           HB1      ALA  63  -1.274   2.361   2.361
  482   2HB   ALA  63           HB3      ALA  63  -2.354   1.758   1.758
  483   3HB   ALA  63           HB2      ALA  63  -0.697   2.207   2.207
  484    H    LYS  64           HN       LYS  64  -3.210  -0.348  -0.348
  485    HA   LYS  64           HA       LYS  64  -3.988  -1.371  -1.371
  486   1HB   LYS  64           HB1      LYS  64  -5.076  -3.300  -3.300
  487   2HB   LYS  64           HB2      LYS  64  -3.325  -3.324  -3.324
  488   1HG   LYS  64           HG2      LYS  64  -3.403  -2.091  -2.091
  489   2HG   LYS  64           HG1      LYS  64  -5.087  -2.606  -2.606
  490   1HD   LYS  64           HD2      LYS  64  -2.690  -4.434  -4.434
  491   2HD   LYS  64           HD1      LYS  64  -3.628  -4.230  -4.230
  492   1HE   LYS  64           HE1      LYS  64  -5.586  -5.203  -5.203
  493   2HE   LYS  64           HE2      LYS  64  -4.863  -5.143  -5.143
  494   1HZ   LYS  64           HZ2      LYS  64  -3.752  -6.648  -6.648
  495   2HZ   LYS  64           HZ1      LYS  64  -4.631  -7.350  -7.350
  496   3HZ   LYS  64           HZ3      LYS  64  -3.125  -6.632  -6.632
  497    H    VAL  65           HN       VAL  65  -6.400  -1.789  -1.789
  498    HA   VAL  65           HA       VAL  65  -7.911   0.035   0.035
  499    HB   VAL  65           HB       VAL  65  -7.967  -0.005  -0.005
  500   1HG1  VAL  65          HG12      VAL  65  -9.550   1.640   1.640
  501   2HG1  VAL  65          HG11      VAL  65  -9.559   1.887   1.887
  502   3HG1  VAL  65          HG13      VAL  65 -10.205   0.394   0.394
  503   1HG2  VAL  65          HG22      VAL  65  -6.693   1.722   1.722
  504   2HG2  VAL  65          HG21      VAL  65  -6.125   1.295   1.295
  505   3HG2  VAL  65          HG23      VAL  65  -7.374   2.524   2.524
  506    H    ASP  66           HN       ASP  66 -10.128  -0.513  -0.513
  507    HA   ASP  66           HA       ASP  66 -10.805  -3.305  -3.305
  508   1HB   ASP  66           HB2      ASP  66 -11.948  -1.221  -1.221
  509   2HB   ASP  66           HB1      ASP  66 -12.717  -2.784  -2.784
  510    H    ALA  67           HN       ALA  67 -11.333  -3.004  -3.004
  511    HA   ALA  67           HA       ALA  67 -12.855  -1.025  -1.025
  512   1HB   ALA  67           HB2      ALA  67 -11.887  -3.610  -3.610
  513   2HB   ALA  67           HB1      ALA  67 -13.612  -3.681  -3.681
  514   3HB   ALA  67           HB3      ALA  67 -12.589  -2.489  -2.489
  515    H    THR  68           HN       THR  68 -13.983  -3.504  -3.504
  516    HA   THR  68           HA       THR  68 -16.817  -3.133  -3.133
  517    HB   THR  68           HB       THR  68 -17.060  -4.695  -4.695
  518    HG1  THR  68           HG1      THR  68 -15.419  -4.682  -4.682
  519   1HG2  THR  68          HG21      THR  68 -16.599  -5.365  -5.365
  520   2HG2  THR  68          HG23      THR  68 -14.948  -5.679  -5.679
  521   3HG2  THR  68          HG22      THR  68 -16.289  -6.578  -6.578
  522    H    GLU  69           HN       GLU  69 -14.528  -1.564  -1.564
  523    HA   GLU  69           HA       GLU  69 -16.730  -0.374  -0.374
  524   1HB   GLU  69           HB2      GLU  69 -14.478  -1.689  -1.689
  525   2HB   GLU  69           HB1      GLU  69 -13.878  -0.031  -0.031
  526   1HG   GLU  69           HG2      GLU  69 -16.495  -0.099  -0.099
  527   2HG   GLU  69           HG1      GLU  69 -15.434  -1.257  -1.257
  528    H    GLU  70           HN       GLU  70 -13.673   0.428   0.428
  529    HA   GLU  70           HA       GLU  70 -14.580   3.283   3.283
  530   1HB   GLU  70           HB2      GLU  70 -11.827   2.046   2.046
  531   2HB   GLU  70           HB1      GLU  70 -12.187   3.769   3.769
  532   1HG   GLU  70           HG2      GLU  70 -12.202   3.681   3.681
  533   2HG   GLU  70           HG1      GLU  70 -13.362   2.353   2.353
  534    H    SER  71           HN       SER  71 -15.770   1.564   1.564
  535    HA   SER  71           HA       SER  71 -14.375   1.235   1.235
  536   1HB   SER  71           HB2      SER  71 -16.481   0.546   0.546
  537   2HB   SER  71           HB1      SER  71 -16.643   0.322   0.322
  538    HG   SER  71           HG       SER  71 -17.684   2.317   2.317
  539    H    ASP  72           HN       ASP  72 -15.849   4.017   4.017
  540    HA   ASP  72           HA       ASP  72 -16.603   5.680   5.680
  541   1HB   ASP  72           HB1      ASP  72 -15.632   5.896   5.896
  542   2HB   ASP  72           HB2      ASP  72 -15.093   7.270   7.270
  543    H    LEU  73           HN       LEU  73 -13.349   4.643   4.643
  544    HA   LEU  73           HA       LEU  73 -12.165   6.579   6.579
  545   1HB   LEU  73           HB2      LEU  73 -10.929   4.565   4.565
  546   2HB   LEU  73           HB1      LEU  73 -10.057   5.819   5.819
  547    HG   LEU  73           HG       LEU  73 -12.085   7.236   7.236
  548   1HD1  LEU  73          HD11      LEU  73 -12.051   4.794   4.794
  549   2HD1  LEU  73          HD13      LEU  73 -11.002   5.790   5.790
  550   3HD1  LEU  73          HD12      LEU  73 -12.656   6.304   6.304
  551   1HD2  LEU  73          HD23      LEU  73  -9.177   6.754   6.754
  552   2HD2  LEU  73          HD22      LEU  73 -10.016   8.251   8.251
  553   3HD2  LEU  73          HD21      LEU  73 -10.069   7.631   7.631
  554    H    ALA  74           HN       ALA  74 -12.822   3.150   3.150
  555    HA   ALA  74           HA       ALA  74 -11.126   2.200   2.200
  556   1HB   ALA  74           HB1      ALA  74 -12.524   1.108   1.108
  557   2HB   ALA  74           HB3      ALA  74 -13.617   0.750   0.750
  558   3HB   ALA  74           HB2      ALA  74 -11.954   0.167   0.167
  559    H    GLN  75           HN       GLN  75 -14.593   3.044   3.044
  560    HA   GLN  75           HA       GLN  75 -15.343   2.345   2.345
  561   1HB   GLN  75           HB2      GLN  75 -16.512   3.402   3.402
  562   2HB   GLN  75           HB1      GLN  75 -16.527   4.792   4.792
  563   1HG   GLN  75           HG1      GLN  75 -18.117   3.872   3.872
  564   2HG   GLN  75           HG2      GLN  75 -17.317   2.299   2.299
  565   1HE2  GLN  75          HE22      GLN  75 -19.548   0.953   0.953
  566   2HE2  GLN  75          HE21      GLN  75 -18.382   0.681   0.681
  567    H    GLN  76           HN       GLN  76 -13.615   5.132   5.132
  568    HA   GLN  76           HA       GLN  76 -13.896   6.948   6.948
  569   1HB   GLN  76           HB2      GLN  76 -12.464   6.680   6.680
  570   2HB   GLN  76           HB1      GLN  76 -11.243   6.945   6.945
  571   1HG   GLN  76           HG2      GLN  76 -11.792   9.142   9.142
  572   2HG   GLN  76           HG1      GLN  76 -12.969   8.812   8.812
  573   1HE2  GLN  76          HE22      GLN  76 -15.645   9.518   9.518
  574   2HE2  GLN  76          HE21      GLN  76 -15.011   9.543   9.543
  575    H    TYR  77           HN       TYR  77 -11.545   4.316   4.316
  576    HA   TYR  77           HA       TYR  77 -10.340   4.802   4.802
  577   1HB   TYR  77           HB2      TYR  77  -9.828   2.765   2.765
  578   2HB   TYR  77           HB1      TYR  77  -8.798   3.029   3.029
  579    HD1  TYR  77           HD1      TYR  77  -8.598   5.859   5.859
  580    HD2  TYR  77           HD2      TYR  77  -8.802   3.605   3.605
  581    HE1  TYR  77           HE1      TYR  77  -7.442   7.697   7.697
  582    HE2  TYR  77           HE2      TYR  77  -7.645   5.442   5.442
  583    HH   TYR  77           HH       TYR  77  -7.473   8.394   8.394
  584    H    GLY  78           HN       GLY  78 -12.234   2.354   2.354
  585   1HA   GLY  78           HA1      GLY  78 -14.021   1.328   1.328
  586   2HA   GLY  78           HA2      GLY  78 -12.641   0.905   0.905
  587    H    VAL  79           HN       VAL  79 -10.812  -0.194  -0.194
  588    HA   VAL  79           HA       VAL  79 -10.220  -2.244  -2.244
  589    HB   VAL  79           HB       VAL  79 -12.168  -1.093  -1.093
  590   1HG1  VAL  79          HG12      VAL  79 -10.932  -3.460  -3.460
  591   2HG1  VAL  79          HG11      VAL  79  -9.603  -2.438  -2.438
  592   3HG1  VAL  79          HG13      VAL  79 -11.138  -2.421  -2.421
  593   1HG2  VAL  79          HG21      VAL  79  -9.295  -0.406  -0.406
  594   2HG2  VAL  79          HG23      VAL  79 -10.683   0.683   0.683
  595   3HG2  VAL  79          HG22      VAL  79 -10.046   0.018   0.018
  596    H    ARG  80           HN       ARG  80 -11.309  -3.711  -3.711
  597    HA   ARG  80           HA       ARG  80 -13.956  -4.728  -4.728
  598   1HB   ARG  80           HB2      ARG  80 -12.693  -4.248  -4.248
  599   2HB   ARG  80           HB1      ARG  80 -13.734  -5.665  -5.665
  600   1HG   ARG  80           HG2      ARG  80 -15.632  -4.401  -4.401
  601   2HG   ARG  80           HG1      ARG  80 -14.708  -3.063  -3.063
  602   1HD   ARG  80           HD2      ARG  80 -15.591  -2.396  -2.396
  603   2HD   ARG  80           HD1      ARG  80 -13.829  -2.575  -2.575
  604    HE   ARG  80           HE       ARG  80 -14.780  -5.111  -5.111
  605   1HH1  ARG  80          HH11      ARG  80 -17.254  -4.003  -4.003
  606   2HH1  ARG  80          HH12      ARG  80 -16.832  -3.613  -3.613
  607   1HH2  ARG  80          HH21      ARG  80 -13.414  -3.719  -3.719
  608   2HH2  ARG  80          HH22      ARG  80 -14.657  -3.451  -3.451
  609    H    GLY  81           HN       GLY  81 -11.440  -5.601  -5.601
  610   1HA   GLY  81           HA2      GLY  81 -11.756  -8.388  -8.388
  611   2HA   GLY  81           HA1      GLY  81 -10.558  -8.066  -8.066
  612    H    TYR  82           HN       TYR  82 -11.131  -8.223  -8.223
  613    HA   TYR  82           HA       TYR  82  -8.700  -6.804  -6.804
  614   1HB   TYR  82           HB2      TYR  82 -10.328  -8.804  -8.804
  615   2HB   TYR  82           HB1      TYR  82  -9.377  -7.457  -7.457
  616    HD1  TYR  82           HD1      TYR  82 -10.319  -5.411  -5.411
  617    HD2  TYR  82           HD2      TYR  82 -12.424  -8.183  -8.183
  618    HE1  TYR  82           HE1      TYR  82 -12.336  -3.970  -3.970
  619    HE2  TYR  82           HE2      TYR  82 -14.437  -6.738  -6.738
  620    HH   TYR  82           HH       TYR  82 -14.693  -3.976  -3.976
  621    HA   PRO  83           HA       PRO  83  -7.462  -6.998  -6.998
  622   1HB   PRO  83           HB2      PRO  83  -4.785  -7.131  -7.131
  623   2HB   PRO  83           HB1      PRO  83  -5.993  -8.043  -8.043
  624   1HG   PRO  83           HG2      PRO  83  -4.034  -8.977  -8.977
  625   2HG   PRO  83           HG1      PRO  83  -4.883  -9.878  -9.878
  626   1HD   PRO  83           HD1      PRO  83  -5.466  -9.784  -9.784
  627   2HD   PRO  83           HD2      PRO  83  -6.330 -10.675 -10.675
  628    H    THR  84           HN       THR  84  -7.320  -5.045  -5.045
  629    HA   THR  84           HA       THR  84  -5.604  -4.840  -4.840
  630    HB   THR  84           HB       THR  84  -7.716  -3.040  -3.040
  631    HG1  THR  84           HG1      THR  84  -8.952  -3.850  -3.850
  632   1HG2  THR  84          HG22      THR  84  -5.861  -2.724  -2.724
  633   2HG2  THR  84          HG21      THR  84  -7.545  -2.320  -2.320
  634   3HG2  THR  84          HG23      THR  84  -6.678  -1.495  -1.495
  635    H    ILE  85           HN       ILE  85  -3.508  -4.263  -4.263
  636    HA   ILE  85           HA       ILE  85  -2.996  -2.420  -2.420
  637    HB   ILE  85           HB       ILE  85  -1.231  -4.001  -4.001
  638   1HG1  ILE  85          HG11      ILE  85  -1.879  -4.413  -4.413
  639   2HG1  ILE  85          HG12      ILE  85  -2.626  -5.312  -5.312
  640   1HG2  ILE  85          HG23      ILE  85  -0.538  -2.352  -2.352
  641   2HG2  ILE  85          HG22      ILE  85   0.572  -3.470  -3.470
  642   3HG2  ILE  85          HG21      ILE  85  -0.014  -2.048  -2.048
  643   1HD1  ILE  85          HD12      ILE  85  -0.128  -5.788  -5.788
  644   2HD1  ILE  85          HD11      ILE  85   0.206  -5.406  -5.406
  645   3HD1  ILE  85          HD13      ILE  85  -0.877  -6.739  -6.739
  646    H    LYS  86           HN       LYS  86  -2.009  -0.373  -0.373
  647    HA   LYS  86           HA       LYS  86  -1.438   0.571   0.571
  648   1HB   LYS  86           HB2      LYS  86  -3.895   0.967   0.967
  649   2HB   LYS  86           HB1      LYS  86  -3.042   2.503   2.503
  650   1HG   LYS  86           HG1      LYS  86  -3.603   2.944   2.944
  651   2HG   LYS  86           HG2      LYS  86  -2.604   1.582   1.582
  652   1HD   LYS  86           HD2      LYS  86  -4.406   0.244   0.244
  653   2HD   LYS  86           HD1      LYS  86  -5.233   0.812   0.812
  654   1HE   LYS  86           HE2      LYS  86  -6.587   2.031   2.031
  655   2HE   LYS  86           HE1      LYS  86  -5.177   3.023   3.023
  656   1HZ   LYS  86           HZ1      LYS  86  -5.867   0.419   0.419
  657   2HZ   LYS  86           HZ3      LYS  86  -6.186   1.934   1.934
  658   3HZ   LYS  86           HZ2      LYS  86  -4.580   1.440   1.440
  659    H    PHE  87           HN       PHE  87   0.127   2.218   2.218
  660    HA   PHE  87           HA       PHE  87   1.225   2.975   2.975
  661   1HB   PHE  87           HB2      PHE  87   2.716   1.683   1.683
  662   2HB   PHE  87           HB1      PHE  87   2.430   2.779   2.779
  663    HD1  PHE  87           HD1      PHE  87   3.026   3.541   3.541
  664    HD2  PHE  87           HD2      PHE  87   4.498   3.826   3.826
  665    HE1  PHE  87           HE1      PHE  87   4.882   4.989   4.989
  666    HE2  PHE  87           HE2      PHE  87   6.353   5.273   5.273
  667    HZ   PHE  87           HZ       PHE  87   6.545   5.855   5.855
  668    H    PHE  88           HN       PHE  88   1.146   5.133   5.133
  669    HA   PHE  88           HA       PHE  88   0.413   7.098   7.098
  670   1HB   PHE  88           HB2      PHE  88  -0.285   6.756   6.756
  671   2HB   PHE  88           HB1      PHE  88  -0.493   8.312   8.312
  672    HD1  PHE  88           HD2      PHE  88  -2.124   8.593   8.593
  673    HD2  PHE  88           HD1      PHE  88  -1.634   4.825   4.825
  674    HE1  PHE  88           HE2      PHE  88  -4.252   7.791   7.791
  675    HE2  PHE  88           HE1      PHE  88  -3.762   4.024   4.024
  676    HZ   PHE  88           HZ       PHE  88  -5.071   5.506   5.506
  677    H    ARG  89           HN       ARG  89   1.588   9.062   9.062
  678    HA   ARG  89           HA       ARG  89   3.997   9.166   9.166
  679   1HB   ARG  89           HB2      ARG  89   4.166   8.730   8.730
  680   2HB   ARG  89           HB1      ARG  89   3.708  10.423  10.423
  681   1HG   ARG  89           HG2      ARG  89   5.841   9.951   9.951
  682   2HG   ARG  89           HG1      ARG  89   6.286   9.545   9.545
  683   1HD   ARG  89           HD2      ARG  89   5.787  11.765  11.765
  684   2HD   ARG  89           HD1      ARG  89   5.006  12.190  12.190
  685    HE   ARG  89           HE       ARG  89   7.519  11.406  11.406
  686   1HH1  ARG  89          HH11      ARG  89   9.205  12.058  12.058
  687   2HH1  ARG  89          HH12      ARG  89   9.299  13.786  13.786
  688   1HH2  ARG  89          HH21      ARG  89   6.381  14.303  14.303
  689   2HH2  ARG  89          HH22      ARG  89   7.699  15.057  15.057
  690    H    ASN  90           HN       ASN  90   3.558  10.701  10.701
  691    HA   ASN  90           HA       ASN  90   2.827  12.717  12.717
  692   1HB   ASN  90           HB2      ASN  90   4.808  13.090  13.090
  693   2HB   ASN  90           HB1      ASN  90   3.585  13.951  13.951
  694   1HD2  ASN  90          HD22      ASN  90   3.163  16.052  16.052
  695   2HD2  ASN  90          HD21      ASN  90   2.186  14.814  14.814
  696    H    GLY  91           HN       GLY  91   0.621  11.362  11.362
  697   1HA   GLY  91           HA1      GLY  91  -1.577  11.741  11.741
  698   2HA   GLY  91           HA2      GLY  91  -1.309  13.415  13.415
  699    H    ASP  92           HN       ASP  92   0.463  11.626  11.626
  700    HA   ASP  92           HA       ASP  92   0.140  13.785  13.785
  701   1HB   ASP  92           HB1      ASP  92   1.042  11.571  11.571
  702   2HB   ASP  92           HB2      ASP  92   1.510  11.193  11.193
  703    H    THR  93           HN       THR  93  -1.489  10.717  10.717
  704    HA   THR  93           HA       THR  93  -3.297   9.657   9.657
  705    HB   THR  93           HB       THR  93  -5.152  11.210  11.210
  706    HG1  THR  93           HG1      THR  93  -4.406  12.889  12.889
  707   1HG2  THR  93          HG23      THR  93  -4.337  10.757  10.757
  708   2HG2  THR  93          HG22      THR  93  -3.338  12.206  12.206
  709   3HG2  THR  93          HG21      THR  93  -5.095  12.341  12.341
  710    H    ALA  94           HN       ALA  94  -4.866  10.609  10.609
  711    HA   ALA  94           HA       ALA  94  -4.859  10.545  10.545
  712   1HB   ALA  94           HB3      ALA  94  -3.072  12.526  12.526
  713   2HB   ALA  94           HB2      ALA  94  -2.282  11.758  11.758
  714   3HB   ALA  94           HB1      ALA  94  -3.877  12.484  12.484
  715    H    SER  95           HN       SER  95  -4.585   8.295   8.295
  716    HA   SER  95           HA       SER  95  -3.470   6.305   6.305
  717   1HB   SER  95           HB1      SER  95  -3.041   7.683   7.683
  718   2HB   SER  95           HB2      SER  95  -1.713   8.505   8.505
  719    HG   SER  95           HG       SER  95  -0.554   6.999   6.999
  720    HA   PRO  96           HA       PRO  96  -0.458   6.744   6.744
  721   1HB   PRO  96           HB2      PRO  96  -1.456   4.679   4.679
  722   2HB   PRO  96           HB1      PRO  96  -2.065   6.340   6.340
  723   1HG   PRO  96           HG2      PRO  96  -3.200   3.992   3.992
  724   2HG   PRO  96           HG1      PRO  96  -4.029   5.275   5.275
  725   1HD   PRO  96           HD2      PRO  96  -3.857   5.191   5.191
  726   2HD   PRO  96           HD1      PRO  96  -4.053   6.690   6.690
  727    H    LYS  97           HN       LYS  97   1.046   4.930   4.930
  728    HA   LYS  97           HA       LYS  97   1.844   3.263   3.263
  729   1HB   LYS  97           HB2      LYS  97   2.900   4.092   4.092
  730   2HB   LYS  97           HB1      LYS  97   3.569   2.629   2.629
  731   1HG   LYS  97           HG2      LYS  97   3.631   4.249   4.249
  732   2HG   LYS  97           HG1      LYS  97   3.800   5.460   5.460
  733   1HD   LYS  97           HD2      LYS  97   5.542   3.568   3.568
  734   2HD   LYS  97           HD1      LYS  97   5.687   3.345   3.345
  735   1HE   LYS  97           HE2      LYS  97   5.901   6.051   6.051
  736   2HE   LYS  97           HE1      LYS  97   7.298   5.056   5.056
  737   1HZ   LYS  97           HZ2      LYS  97   6.345   4.952   4.952
  738   2HZ   LYS  97           HZ1      LYS  97   5.163   6.078   6.078
  739   3HZ   LYS  97           HZ3      LYS  97   6.800   6.523   6.523
  740    H    GLU  98           HN       GLU  98   1.080   1.213   1.213
  741    HA   GLU  98           HA       GLU  98  -0.322  -0.147  -0.147
  742   1HB   GLU  98           HB2      GLU  98  -1.230   0.028   0.028
  743   2HB   GLU  98           HB1      GLU  98   0.144  -0.914  -0.914
  744   1HG   GLU  98           HG2      GLU  98  -0.783  -2.858  -2.858
  745   2HG   GLU  98           HG1      GLU  98  -1.184  -2.196  -2.196
  746    H    TYR  99           HN       TYR  99   0.377  -2.121  -2.121
  747    HA   TYR  99           HA       TYR  99   3.247  -2.676  -2.676
  748   1HB   TYR  99           HB1      TYR  99   1.017  -3.108  -3.108
  749   2HB   TYR  99           HB2      TYR  99   1.724  -4.684  -4.684
  750    HD1  TYR  99           HD2      TYR  99   4.391  -4.727  -4.727
  751    HD2  TYR  99           HD1      TYR  99   1.940  -1.857  -1.857
  752    HE1  TYR  99           HE2      TYR  99   6.262  -4.242  -4.242
  753    HE2  TYR  99           HE1      TYR  99   3.811  -1.372  -1.372
  754    HH   TYR  99           HH       TYR  99   7.004  -2.457  -2.457
  755    H    THR 100           HN       THR 100   4.069  -3.902  -3.902
  756    HA   THR 100           HA       THR 100   2.325  -5.794  -5.794
  757    HB   THR 100           HB       THR 100   4.249  -5.850  -5.850
  758    HG1  THR 100           HG1      THR 100   6.161  -5.185  -5.185
  759   1HG2  THR 100          HG21      THR 100   2.712  -3.600  -3.600
  760   2HG2  THR 100          HG23      THR 100   4.360  -2.994  -2.994
  761   3HG2  THR 100          HG22      THR 100   3.612  -3.860  -3.860
  762    H    ALA 101           HN       ALA 101   5.091  -5.815  -5.815
  763    HA   ALA 101           HA       ALA 101   5.884  -8.541  -8.541
  764   1HB   ALA 101           HB2      ALA 101   7.033  -6.600  -6.600
  765   2HB   ALA 101           HB1      ALA 101   5.926  -6.883  -6.883
  766   3HB   ALA 101           HB3      ALA 101   7.068  -8.138  -8.138
  767    H    GLY 102           HN       GLY 102   5.639  -9.416  -9.416
  768   1HA   GLY 102           HA2      GLY 102   3.472  -9.670  -9.670
  769   2HA   GLY 102           HA1      GLY 102   2.784 -10.276 -10.276
  770    H    ARG 103           HN       ARG 103   5.147 -10.940 -10.940
  771    HA   ARG 103           HA       ARG 103   4.836 -13.824 -13.824
  772   1HB   ARG 103           HB1      ARG 103   6.716 -12.462 -12.462
  773   2HB   ARG 103           HB2      ARG 103   7.667 -13.061 -13.061
  774   1HG   ARG 103           HG2      ARG 103   5.804 -15.071 -15.071
  775   2HG   ARG 103           HG1      ARG 103   6.936 -14.528 -14.528
  776   1HD   ARG 103           HD2      ARG 103   8.625 -14.800 -14.800
  777   2HD   ARG 103           HD1      ARG 103   7.458 -16.097 -16.097
  778    HE   ARG 103           HE       ARG 103   8.103 -16.115 -16.115
  779   1HH1  ARG 103          HH11      ARG 103  10.842 -15.742 -15.742
  780   2HH1  ARG 103          HH12      ARG 103  11.342 -17.381 -17.381
  781   1HH2  ARG 103          HH21      ARG 103   8.143 -18.684 -18.684
  782   2HH2  ARG 103          HH22      ARG 103   9.814 -19.046 -19.046
  783    H    GLU 104           HN       GLU 104   6.691 -11.230 -11.230
  784    HA   GLU 104           HA       GLU 104   6.231 -12.357 -12.357
  785   1HB   GLU 104           HB2      GLU 104   8.660 -12.867 -12.867
  786   2HB   GLU 104           HB1      GLU 104   7.921 -13.910 -13.910
  787   1HG   GLU 104           HG1      GLU 104   8.888 -12.628 -12.628
  788   2HG   GLU 104           HG2      GLU 104   9.434 -11.375 -11.375
  789    H    ALA 105           HN       ALA 105   7.585 -11.066 -11.066
  790    HA   ALA 105           HA       ALA 105   7.144  -8.326  -8.326
  791   1HB   ALA 105           HB3      ALA 105   8.385 -10.175 -10.175
  792   2HB   ALA 105           HB2      ALA 105   9.617  -8.950  -8.950
  793   3HB   ALA 105           HB1      ALA 105   8.052  -8.481  -8.481
  794    H    ASP 106           HN       ASP 106  10.012 -10.086 -10.086
  795    HA   ASP 106           HA       ASP 106  11.704  -7.897  -7.897
  796   1HB   ASP 106           HB2      ASP 106  11.222 -10.617 -10.617
  797   2HB   ASP 106           HB1      ASP 106  12.392  -9.536  -9.536
  798    H    ASP 107           HN       ASP 107   9.235  -9.398  -9.398
  799    HA   ASP 107           HA       ASP 107   9.491  -7.796  -7.796
  800   1HB   ASP 107           HB1      ASP 107   7.389  -9.378  -9.378
  801   2HB   ASP 107           HB2      ASP 107   6.805  -8.222  -8.222
  802    H    ILE 108           HN       ILE 108   8.037  -7.015  -7.015
  803    HA   ILE 108           HA       ILE 108   6.652  -4.618  -4.618
  804    HB   ILE 108           HB       ILE 108   7.723  -5.447  -5.447
  805   1HG1  ILE 108          HG12      ILE 108   6.299  -7.195  -7.195
  806   2HG1  ILE 108          HG11      ILE 108   5.465  -6.407  -6.407
  807   1HG2  ILE 108          HG22      ILE 108   6.742  -3.024  -3.024
  808   2HG2  ILE 108          HG21      ILE 108   5.222  -3.869  -3.869
  809   3HG2  ILE 108          HG23      ILE 108   6.443  -3.782  -3.782
  810   1HD1  ILE 108          HD11      ILE 108   4.429  -4.858  -4.858
  811   2HD1  ILE 108          HD13      ILE 108   5.026  -6.003  -6.003
  812   3HD1  ILE 108          HD12      ILE 108   3.857  -6.526  -6.526
  813    H    VAL 109           HN       VAL 109   9.663  -5.068  -5.068
  814    HA   VAL 109           HA       VAL 109  10.468  -2.308  -2.308
  815    HB   VAL 109           HB       VAL 109  12.039  -4.870  -4.870
  816   1HG1  VAL 109          HG21      VAL 109  13.225  -2.575  -2.575
  817   2HG1  VAL 109          HG23      VAL 109  12.752  -2.184  -2.184
  818   3HG1  VAL 109          HG22      VAL 109  13.794  -3.572  -3.572
  819   1HG2  VAL 109          HG12      VAL 109  10.140  -3.321  -3.321
  820   2HG2  VAL 109          HG11      VAL 109  10.695  -4.985  -4.985
  821   3HG2  VAL 109          HG13      VAL 109  11.672  -3.650  -3.650
  822    H    ASN 110           HN       ASN 110  11.247  -5.185  -5.185
  823    HA   ASN 110           HA       ASN 110  13.297  -4.162  -4.162
  824   1HB   ASN 110           HB2      ASN 110  12.129  -6.491  -6.491
  825   2HB   ASN 110           HB1      ASN 110  11.052  -5.880  -5.880
  826   1HD2  ASN 110          HD22      ASN 110  14.306  -7.528  -7.528
  827   2HD2  ASN 110          HD21      ASN 110  13.355  -7.981  -7.981
  828    H    TRP 111           HN       TRP 111   9.770  -3.998  -3.998
  829    HA   TRP 111           HA       TRP 111   9.878  -2.494  -2.494
  830   1HB   TRP 111           HB1      TRP 111   7.999  -3.805  -3.805
  831   2HB   TRP 111           HB2      TRP 111   7.568  -2.120  -2.120
  832    HD1  TRP 111           HD1      TRP 111   7.953  -4.663  -4.663
  833    HE1  TRP 111           HE1      TRP 111   6.647  -3.811  -3.811
  834    HE3  TRP 111           HE3      TRP 111   6.599  -0.034  -0.034
  835    HZ2  TRP 111           HZ2      TRP 111   5.216  -1.476  -1.476
  836    HZ3  TRP 111           HZ3      TRP 111   5.265   1.483   1.483
  837    HH2  TRP 111           HH2      TRP 111   4.573   0.768   0.768
  838    H    LEU 112           HN       LEU 112   9.816  -1.574  -1.574
  839    HA   LEU 112           HA       LEU 112   9.416   1.271   1.271
  840   1HB   LEU 112           HB1      LEU 112   9.758  -0.592  -0.592
  841   2HB   LEU 112           HB2      LEU 112  10.435   1.010   1.010
  842    HG   LEU 112           HG       LEU 112   8.160   1.865   1.865
  843   1HD1  LEU 112          HD11      LEU 112   7.558  -1.007  -1.007
  844   2HD1  LEU 112          HD13      LEU 112   6.309   0.233   0.233
  845   3HD1  LEU 112          HD12      LEU 112   7.247  -0.204  -0.204
  846   1HD2  LEU 112          HD21      LEU 112   9.099   1.787   1.787
  847   2HD2  LEU 112          HD23      LEU 112   7.394   2.144   2.144
  848   3HD2  LEU 112          HD22      LEU 112   7.887   0.522   0.522
  849    H    LYS 113           HN       LYS 113  12.181  -0.879  -0.879
  850    HA   LYS 113           HA       LYS 113  14.069   1.412   1.412
  851   1HB   LYS 113           HB2      LYS 113  13.984  -1.399  -1.399
  852   2HB   LYS 113           HB1      LYS 113  15.492  -0.975  -0.975
  853   1HG   LYS 113           HG2      LYS 113  16.162   0.397   0.397
  854   2HG   LYS 113           HG1      LYS 113  14.532   1.019   1.019
  855   1HD   LYS 113           HD2      LYS 113  13.984  -0.666  -0.666
  856   2HD   LYS 113           HD1      LYS 113  15.071  -1.830  -1.830
  857   1HE   LYS 113           HE2      LYS 113  16.863  -1.176  -1.176
  858   2HE   LYS 113           HE1      LYS 113  16.381   0.532   0.532
  859   1HZ   LYS 113           HZ3      LYS 113  14.759  -1.498  -1.498
  860   2HZ   LYS 113           HZ2      LYS 113  16.074  -0.748  -0.748
  861   3HZ   LYS 113           HZ1      LYS 113  14.767   0.185   0.185
  862    H    LYS 114           HN       LYS 114  12.415   0.320   0.320
  863    HA   LYS 114           HA       LYS 114  14.386  -0.748  -0.748
  864   1HB   LYS 114           HB2      LYS 114  11.881  -1.070  -1.070
  865   2HB   LYS 114           HB1      LYS 114  11.727   0.616   0.616
  866   1HG   LYS 114           HG2      LYS 114  12.859   0.226   0.226
  867   2HG   LYS 114           HG1      LYS 114  13.452  -1.346  -1.346
  868   1HD   LYS 114           HD2      LYS 114  10.935  -1.967  -1.967
  869   2HD   LYS 114           HD1      LYS 114  10.662  -0.570  -0.570
  870   1HE   LYS 114           HE2      LYS 114  12.657  -2.731  -2.731
  871   2HE   LYS 114           HE1      LYS 114  10.949  -2.820  -2.820
  872   1HZ   LYS 114           HZ3      LYS 114  11.264  -0.439  -0.439
  873   2HZ   LYS 114           HZ2      LYS 114  12.934  -0.728  -0.728
  874   3HZ   LYS 114           HZ1      LYS 114  11.978  -1.651  -1.651
  875    H    ARG 115           HN       ARG 115  12.909   2.461   2.461
  876    HA   ARG 115           HA       ARG 115  14.978   3.631   3.631
  877   1HB   ARG 115           HB2      ARG 115  13.291   5.482   5.482
  878   2HB   ARG 115           HB1      ARG 115  12.667   3.923   3.923
  879   1HG   ARG 115           HG2      ARG 115  11.204   3.746   3.746
  880   2HG   ARG 115           HG1      ARG 115  12.293   4.557   4.557
  881   1HD   ARG 115           HD2      ARG 115  11.512   6.659   6.659
  882   2HD   ARG 115           HD1      ARG 115  11.160   6.204   6.204
  883    HE   ARG 115           HE       ARG 115   9.153   5.024   5.024
  884   1HH1  ARG 115          HH21      ARG 115   9.359   4.269   4.269
  885   2HH1  ARG 115          HH22      ARG 115   8.698   5.573   5.573
  886   1HH2  ARG 115          HH11      ARG 115   8.945   7.884   7.884
  887   2HH2  ARG 115          HH12      ARG 115   8.464   7.618   7.618
  888    H    THR 116           HN       THR 116  13.703   3.586   3.586
  889    HA   THR 116           HA       THR 116  15.388   5.955   5.955
  890    HB   THR 116           HB       THR 116  13.836   5.579   5.579
  891    HG1  THR 116           HG1      THR 116  11.849   4.734   4.734
  892   1HG2  THR 116          HG21      THR 116  12.976   6.798   6.798
  893   2HG2  THR 116          HG23      THR 116  12.139   7.067   7.067
  894   3HG2  THR 116          HG22      THR 116  13.803   7.611   7.611
  895    H    GLY 117           HN       GLY 117  16.296   3.091   3.091
  896   1HA   GLY 117           HA1      GLY 117  16.889   2.224   2.224
  897   2HA   GLY 117           HA2      GLY 117  17.311   1.347   1.347
  898    HA   PRO 118           HA       PRO 118  20.902   3.973   3.973
  899   1HB   PRO 118           HB1      PRO 118  22.385   2.018   2.018
  900   2HB   PRO 118           HB2      PRO 118  21.179   2.990   2.990
  901   1HG   PRO 118           HG2      PRO 118  20.978   0.217   0.217
  902   2HG   PRO 118           HG1      PRO 118  20.325   0.899   0.899
  903   1HD   PRO 118           HD2      PRO 118  18.830   0.451   0.451
  904   2HD   PRO 118           HD1      PRO 118  18.443   1.688   1.688
  905    H    ALA 119           HN       ALA 119  21.163   3.882   3.882
  906    HA   ALA 119           HA       ALA 119  22.504   1.570   1.570
  907   1HB   ALA 119           HB3      ALA 119  20.823   3.204   3.204
  908   2HB   ALA 119           HB2      ALA 119  22.154   4.360   4.360
  909   3HB   ALA 119           HB1      ALA 119  22.256   2.840   2.840
  910    H    ALA 120           HN       ALA 120  24.656   1.249   1.249
  911    HA   ALA 120           HA       ALA 120  26.611   3.332   3.332
  912   1HB   ALA 120           HB1      ALA 120  25.431   3.327   3.327
  913   2HB   ALA 120           HB3      ALA 120  26.973   2.506   2.506
  914   3HB   ALA 120           HB2      ALA 120  26.939   4.132   4.132

  Start of MODEL   39
    1   1H    ASP   1           HT2      ASP   1 -11.467  11.415  11.415
    2   2H    ASP   1           HT1      ASP   1 -12.558  11.553  11.553
    3   3H    ASP   1           HT3      ASP   1 -12.800  10.368  10.368
    4    HA   ASP   1           HA       ASP   1 -11.894   9.177   9.177
    5   1HB   ASP   1           HB2      ASP   1  -9.835  10.191  10.191
    6   2HB   ASP   1           HB1      ASP   1 -10.151  11.647  11.647
    7    H    ALA   2           HN       ALA   2 -11.236   7.575   7.575
    8    HA   ALA   2           HA       ALA   2  -9.050   8.027   8.027
    9   1HB   ALA   2           HB1      ALA   2 -11.037   6.647   6.647
   10   2HB   ALA   2           HB3      ALA   2 -10.614   5.558   5.558
   11   3HB   ALA   2           HB2      ALA   2  -9.569   5.676   5.676
   12    HA   PRO   3           HA       PRO   3  -5.857   6.673   6.673
   13   1HB   PRO   3           HB1      PRO   3  -3.972   5.943   5.943
   14   2HB   PRO   3           HB2      PRO   3  -4.351   7.634   7.634
   15   1HG   PRO   3           HG2      PRO   3  -5.224   5.957   5.957
   16   2HG   PRO   3           HG1      PRO   3  -4.777   7.669   7.669
   17   1HD   PRO   3           HD2      PRO   3  -7.359   6.776   6.776
   18   2HD   PRO   3           HD1      PRO   3  -6.871   8.336   8.336
   19    H    GLU   4           HN       GLU   4  -5.676   4.726   4.726
   20    HA   GLU   4           HA       GLU   4  -5.960   2.210   2.210
   21   1HB   GLU   4           HB1      GLU   4  -7.682   3.305   3.305
   22   2HB   GLU   4           HB2      GLU   4  -6.813   2.030   2.030
   23   1HG   GLU   4           HG1      GLU   4  -8.916   1.782   1.782
   24   2HG   GLU   4           HG2      GLU   4  -8.153   0.520   0.520
   25    H    GLU   5           HN       GLU   5  -4.453   0.600   0.600
   26    HA   GLU   5           HA       GLU   5  -2.772   0.917   0.917
   27   1HB   GLU   5           HB2      GLU   5  -0.744   0.613   0.613
   28   2HB   GLU   5           HB1      GLU   5  -1.570   2.154   2.154
   29   1HG   GLU   5           HG1      GLU   5  -2.495   1.554   1.554
   30   2HG   GLU   5           HG2      GLU   5  -2.331  -0.173  -0.173
   31    H    GLU   6           HN       GLU   6  -1.102  -1.005  -1.005
   32    HA   GLU   6           HA       GLU   6  -2.460  -3.483  -3.483
   33   1HB   GLU   6           HB2      GLU   6  -1.739  -2.569  -2.569
   34   2HB   GLU   6           HB1      GLU   6  -1.369  -4.254  -4.254
   35   1HG   GLU   6           HG2      GLU   6  -3.871  -3.199  -3.199
   36   2HG   GLU   6           HG1      GLU   6  -3.548  -4.823  -4.823
   37    H    ASP   7           HN       ASP   7  -0.713  -5.392  -5.392
   38    HA   ASP   7           HA       ASP   7   1.479  -5.107  -5.107
   39   1HB   ASP   7           HB2      ASP   7   0.791  -6.897  -6.897
   40   2HB   ASP   7           HB1      ASP   7   2.334  -7.087  -7.087
   41    H    HIS   8           HN       HIS   8   2.684  -3.191  -3.191
   42    HA   HIS   8           HA       HIS   8   4.339  -1.869  -1.869
   43   1HB   HIS   8           HB2      HIS   8   4.847  -4.501  -4.501
   44   2HB   HIS   8           HB1      HIS   8   5.998  -3.179  -3.179
   45    HD1  HIS   8           HD1      HIS   8   7.326  -3.071  -3.071
   46    HD2  HIS   8           HD2      HIS   8   4.160  -5.774  -5.774
   47    HE1  HIS   8           HE1      HIS   8   7.598  -4.301  -4.301
   48    H    VAL   9           HN       VAL   9   1.595  -2.267  -2.267
   49    HA   VAL   9           HA       VAL   9   2.378  -1.275  -1.275
   50    HB   VAL   9           HB       VAL   9   0.220  -3.236  -3.236
   51   1HG1  VAL   9          HG13      VAL   9   0.349  -1.409  -1.409
   52   2HG1  VAL   9          HG12      VAL   9   0.114  -3.101  -3.101
   53   3HG1  VAL   9          HG11      VAL   9  -1.024  -2.307  -2.307
   54   1HG2  VAL   9          HG23      VAL   9   2.498  -4.137  -4.137
   55   2HG2  VAL   9          HG22      VAL   9   1.363  -4.711  -4.711
   56   3HG2  VAL   9          HG21      VAL   9   2.502  -3.423  -3.423
   57    H    LEU  10           HN       LEU  10   1.053   0.421   0.421
   58    HA   LEU  10           HA       LEU  10  -0.446   1.909   1.909
   59   1HB   LEU  10           HB1      LEU  10   1.194   2.527   2.527
   60   2HB   LEU  10           HB2      LEU  10  -0.409   2.881   2.881
   61    HG   LEU  10           HG       LEU  10  -0.510   3.932   3.932
   62   1HD1  LEU  10          HD11      LEU  10   2.264   3.795   3.795
   63   2HD1  LEU  10          HD13      LEU  10   1.746   5.453   5.453
   64   3HD1  LEU  10          HD12      LEU  10   1.626   4.240   4.240
   65   1HD2  LEU  10          HD22      LEU  10   0.198   5.272   5.272
   66   2HD2  LEU  10          HD21      LEU  10  -1.428   4.970   4.970
   67   3HD2  LEU  10          HD23      LEU  10  -0.375   6.118   6.118
   68    H    VAL  11           HN       VAL  11  -2.610   2.878   2.878
   69    HA   VAL  11           HA       VAL  11  -4.155   1.010   1.010
   70    HB   VAL  11           HB       VAL  11  -4.822   1.983   1.983
   71   1HG1  VAL  11          HG13      VAL  11  -6.464   0.592   0.592
   72   2HG1  VAL  11          HG12      VAL  11  -6.825   0.378   0.378
   73   3HG1  VAL  11          HG11      VAL  11  -6.899   1.985   1.985
   74   1HG2  VAL  11          HG23      VAL  11  -3.221   0.068   0.068
   75   2HG2  VAL  11          HG22      VAL  11  -4.736  -0.379  -0.379
   76   3HG2  VAL  11          HG21      VAL  11  -4.453  -0.820  -0.820
   77    H    LEU  12           HN       LEU  12  -6.093   2.033   2.033
   78    HA   LEU  12           HA       LEU  12  -5.900   5.026   5.026
   79   1HB   LEU  12           HB2      LEU  12  -6.632   2.924   2.924
   80   2HB   LEU  12           HB1      LEU  12  -7.156   4.590   4.590
   81    HG   LEU  12           HG       LEU  12  -5.028   4.214   4.214
   82   1HD1  LEU  12          HD12      LEU  12  -5.601   6.296   6.296
   83   2HD1  LEU  12          HD11      LEU  12  -4.054   5.759   5.759
   84   3HD1  LEU  12          HD13      LEU  12  -4.176   6.230   6.230
   85   1HD2  LEU  12          HD22      LEU  12  -4.434   2.432   2.432
   86   2HD2  LEU  12          HD21      LEU  12  -3.184   3.227   3.227
   87   3HD2  LEU  12          HD23      LEU  12  -3.571   3.823   3.823
   88    H    ARG  13           HN       ARG  13  -8.113   6.019   6.019
   89    HA   ARG  13           HA       ARG  13 -10.500   4.561   4.561
   90   1HB   ARG  13           HB2      ARG  13  -8.893   6.304   6.304
   91   2HB   ARG  13           HB1      ARG  13 -10.577   6.813   6.813
   92   1HG   ARG  13           HG2      ARG  13 -10.571   3.981   3.981
   93   2HG   ARG  13           HG1      ARG  13  -9.432   4.599   4.599
   94   1HD   ARG  13           HD1      ARG  13 -11.376   6.347   6.347
   95   2HD   ARG  13           HD2      ARG  13 -12.388   5.064   5.064
   96    HE   ARG  13           HE       ARG  13 -10.431   4.107   4.107
   97   1HH1  ARG  13          HH21      ARG  13 -13.015   2.733   2.733
   98   2HH1  ARG  13          HH22      ARG  13 -13.947   3.221   3.221
   99   1HH2  ARG  13          HH11      ARG  13 -11.871   5.884   5.884
  100   2HH2  ARG  13          HH12      ARG  13 -13.298   5.005   5.005
  101    H    LYS  14           HN       LYS  14 -12.455   5.833   5.833
  102    HA   LYS  14           HA       LYS  14 -12.589   7.232   7.232
  103   1HB   LYS  14           HB2      LYS  14 -14.243   6.623   6.623
  104   2HB   LYS  14           HB1      LYS  14 -14.449   8.347   8.347
  105   1HG   LYS  14           HG2      LYS  14 -14.398   6.824   6.824
  106   2HG   LYS  14           HG1      LYS  14 -15.671   6.257   6.257
  107   1HD   LYS  14           HD2      LYS  14 -15.457   9.185   9.185
  108   2HD   LYS  14           HD1      LYS  14 -15.864   8.455   8.455
  109   1HE   LYS  14           HE2      LYS  14 -17.808   7.378   7.378
  110   2HE   LYS  14           HE1      LYS  14 -17.312   7.754   7.754
  111   1HZ   LYS  14           HZ3      LYS  14 -17.443  10.110  10.110
  112   2HZ   LYS  14           HZ2      LYS  14 -17.933   9.750   9.750
  113   3HZ   LYS  14           HZ1      LYS  14 -18.940   9.363   9.363
  114    H    SER  15           HN       SER  15 -11.644   8.523   8.523
  115    HA   SER  15           HA       SER  15 -11.317  11.236  11.236
  116   1HB   SER  15           HB2      SER  15 -12.063  10.180  10.180
  117   2HB   SER  15           HB1      SER  15 -11.270  11.751  11.751
  118    HG   SER  15           HG       SER  15 -13.495  11.082  11.082
  119    H    ASN  16           HN       ASN  16  -9.478   8.672   8.672
  120    HA   ASN  16           HA       ASN  16  -7.126  10.166  10.166
  121   1HB   ASN  16           HB1      ASN  16  -8.193   8.239   8.239
  122   2HB   ASN  16           HB2      ASN  16  -7.598   7.181   7.181
  123   1HD2  ASN  16          HD22      ASN  16  -4.744   6.940   6.940
  124   2HD2  ASN  16          HD21      ASN  16  -6.175   6.166   6.166
  125    H    PHE  17           HN       PHE  17  -8.442   8.889   8.889
  126    HA   PHE  17           HA       PHE  17  -6.356   7.429   7.429
  127   1HB   PHE  17           HB2      PHE  17  -8.623   7.667   7.667
  128   2HB   PHE  17           HB1      PHE  17  -8.373   9.394   9.394
  129    HD1  PHE  17           HD1      PHE  17  -5.973   6.618   6.618
  130    HD2  PHE  17           HD2      PHE  17  -8.508   9.625   9.625
  131    HE1  PHE  17           HE1      PHE  17  -4.991   6.165   6.165
  132    HE2  PHE  17           HE2      PHE  17  -7.526   9.173   9.173
  133    HZ   PHE  17           HZ       PHE  17  -5.801   7.441   7.441
  134    H    ALA  18           HN       ALA  18  -7.071  10.817  10.817
  135    HA   ALA  18           HA       ALA  18  -4.522  11.372  11.372
  136   1HB   ALA  18           HB1      ALA  18  -6.860  12.594  12.594
  137   2HB   ALA  18           HB3      ALA  18  -6.190  13.456  13.456
  138   3HB   ALA  18           HB2      ALA  18  -5.384  13.541  13.541
  139    H    GLU  19           HN       GLU  19  -5.506  11.138  11.138
  140    HA   GLU  19           HA       GLU  19  -3.575  12.902  12.902
  141   1HB   GLU  19           HB1      GLU  19  -5.675  11.926  11.926
  142   2HB   GLU  19           HB2      GLU  19  -4.847  10.373  10.373
  143   1HG   GLU  19           HG2      GLU  19  -3.351  11.119  11.119
  144   2HG   GLU  19           HG1      GLU  19  -3.558  12.814  12.814
  145    H    ALA  20           HN       ALA  20  -3.587   9.312   9.312
  146    HA   ALA  20           HA       ALA  20  -0.955   8.898   8.898
  147   1HB   ALA  20           HB1      ALA  20  -2.884   7.268   7.268
  148   2HB   ALA  20           HB3      ALA  20  -2.323   7.273   7.273
  149   3HB   ALA  20           HB2      ALA  20  -1.261   6.696   6.696
  150    H    LEU  21           HN       LEU  21  -2.093   9.349   9.349
  151    HA   LEU  21           HA       LEU  21   0.379   8.994   8.994
  152   1HB   LEU  21           HB2      LEU  21  -2.002  10.783  10.783
  153   2HB   LEU  21           HB1      LEU  21  -0.756  10.380  10.380
  154    HG   LEU  21           HG       LEU  21  -2.598   8.420   8.420
  155   1HD1  LEU  21          HD13      LEU  21  -2.711   9.890   9.890
  156   2HD1  LEU  21          HD12      LEU  21  -2.800   8.146   8.146
  157   3HD1  LEU  21          HD11      LEU  21  -3.968   8.951   8.951
  158   1HD2  LEU  21          HD23      LEU  21  -0.135   8.084   8.084
  159   2HD2  LEU  21          HD22      LEU  21  -0.689   7.135   7.135
  160   3HD2  LEU  21          HD21      LEU  21  -1.447   6.921   6.921
  161    H    ALA  22           HN       ALA  22  -1.065  11.939  11.939
  162    HA   ALA  22           HA       ALA  22   1.125  13.675  13.675
  163   1HB   ALA  22           HB1      ALA  22  -1.420  14.040  14.040
  164   2HB   ALA  22           HB3      ALA  22  -0.667  14.260  14.260
  165   3HB   ALA  22           HB2      ALA  22  -0.206  15.300  15.300
  166    H    ALA  23           HN       ALA  23   0.754  11.348  11.348
  167    HA   ALA  23           HA       ALA  23   2.234  12.513  12.513
  168   1HB   ALA  23           HB1      ALA  23   0.855  10.345  10.345
  169   2HB   ALA  23           HB3      ALA  23   2.304   9.611   9.611
  170   3HB   ALA  23           HB2      ALA  23   2.337  10.264  10.264
  171    H    HIS  24           HN       HIS  24   3.406  10.302  10.302
  172    HA   HIS  24           HA       HIS  24   6.109  11.574  11.574
  173   1HB   HIS  24           HB2      HIS  24   5.218   8.701   8.701
  174   2HB   HIS  24           HB1      HIS  24   6.835   9.105   9.105
  175    HD1  HIS  24           HD1      HIS  24   8.345  10.531  10.531
  176    HD2  HIS  24           HD2      HIS  24   4.982   8.661   8.661
  177    HE1  HIS  24           HE1      HIS  24   8.677  10.492  10.492
  178    H    LYS  25           HN       LYS  25   7.414  10.268  10.268
  179    HA   LYS  25           HA       LYS  25   6.176  11.431  11.431
  180   1HB   LYS  25           HB2      LYS  25   8.759  10.212  10.212
  181   2HB   LYS  25           HB1      LYS  25   8.385  10.141  10.141
  182   1HG   LYS  25           HG2      LYS  25   9.235  12.246  12.246
  183   2HG   LYS  25           HG1      LYS  25   7.694  12.731  12.731
  184   1HD   LYS  25           HD2      LYS  25   9.658  11.733  11.733
  185   2HD   LYS  25           HD1      LYS  25  10.142  13.219  13.219
  186   1HE   LYS  25           HE2      LYS  25   7.341  12.982  12.982
  187   2HE   LYS  25           HE1      LYS  25   8.675  13.398  13.398
  188   1HZ   LYS  25           HZ2      LYS  25   8.171  14.746  14.746
  189   2HZ   LYS  25           HZ1      LYS  25   7.657  15.359  15.359
  190   3HZ   LYS  25           HZ3      LYS  25   9.313  15.190  15.190
  191    H    TYR  26           HN       TYR  26   7.742   8.241   8.241
  192    HA   TYR  26           HA       TYR  26   5.860   7.096   7.096
  193   1HB   TYR  26           HB2      TYR  26   7.950   5.824   5.824
  194   2HB   TYR  26           HB1      TYR  26   7.240   5.093   5.093
  195    HD1  TYR  26           HD2      TYR  26   7.161   7.315   7.315
  196    HD2  TYR  26           HD1      TYR  26  10.209   6.237   6.237
  197    HE1  TYR  26           HE2      TYR  26   8.866   8.435   8.435
  198    HE2  TYR  26           HE1      TYR  26  11.914   7.357   7.357
  199    HH   TYR  26           HH       TYR  26  11.874   9.270   9.270
  200    H    LEU  27           HN       LEU  27   3.875   6.296   6.296
  201    HA   LEU  27           HA       LEU  27   3.525   5.129   5.129
  202   1HB   LEU  27           HB1      LEU  27   2.517   7.554   7.554
  203   2HB   LEU  27           HB2      LEU  27   1.158   6.437   6.437
  204    HG   LEU  27           HG       LEU  27   1.224   7.546   7.546
  205   1HD1  LEU  27          HD22      LEU  27   0.446   5.137   5.137
  206   2HD1  LEU  27          HD21      LEU  27   2.013   4.639   4.639
  207   3HD1  LEU  27          HD23      LEU  27   0.903   5.563   5.563
  208   1HD2  LEU  27          HD11      LEU  27   3.889   7.500   7.500
  209   2HD2  LEU  27          HD13      LEU  27   3.073   7.519   7.519
  210   3HD2  LEU  27          HD12      LEU  27   3.677   6.000   6.000
  211    H    LEU  28           HN       LEU  28   2.792   3.052   3.052
  212    HA   LEU  28           HA       LEU  28   1.573   2.184   2.184
  213   1HB   LEU  28           HB2      LEU  28   3.567   1.155   1.155
  214   2HB   LEU  28           HB1      LEU  28   2.191   0.284   0.284
  215    HG   LEU  28           HG       LEU  28   3.285  -0.939  -0.939
  216   1HD1  LEU  28          HD21      LEU  28   0.880  -1.226  -1.226
  217   2HD1  LEU  28          HD23      LEU  28   0.483   0.029   0.029
  218   3HD1  LEU  28          HD22      LEU  28   1.202  -1.481  -1.481
  219   1HD2  LEU  28          HD11      LEU  28   3.748   1.322   1.322
  220   2HD2  LEU  28          HD13      LEU  28   3.355  -0.097  -0.097
  221   3HD2  LEU  28          HD12      LEU  28   2.118   1.118   1.118
  222    H    VAL  29           HN       VAL  29  -0.580   1.619   1.619
  223    HA   VAL  29           HA       VAL  29  -2.066   1.233   1.233
  224    HB   VAL  29           HB       VAL  29  -2.940   2.829   2.829
  225   1HG1  VAL  29          HG21      VAL  29  -4.762   1.724   1.724
  226   2HG1  VAL  29          HG23      VAL  29  -4.187   2.560   2.560
  227   3HG1  VAL  29          HG22      VAL  29  -4.833   3.484   3.484
  228   1HG2  VAL  29          HG13      VAL  29  -1.337   3.513   3.513
  229   2HG2  VAL  29          HG12      VAL  29  -1.671   4.471   4.471
  230   3HG2  VAL  29          HG11      VAL  29  -2.803   4.488   4.488
  231    H    GLU  30           HN       GLU  30  -3.211  -0.669  -0.669
  232    HA   GLU  30           HA       GLU  30  -3.840  -1.848  -1.848
  233   1HB   GLU  30           HB2      GLU  30  -2.187  -3.199  -3.199
  234   2HB   GLU  30           HB1      GLU  30  -2.822  -2.950  -2.950
  235   1HG   GLU  30           HG1      GLU  30  -4.723  -4.393  -4.393
  236   2HG   GLU  30           HG2      GLU  30  -4.253  -4.534  -4.534
  237    H    PHE  31           HN       PHE  31  -5.969  -2.574  -2.574
  238    HA   PHE  31           HA       PHE  31  -7.872  -2.040  -2.040
  239   1HB   PHE  31           HB2      PHE  31  -8.081  -1.981  -1.981
  240   2HB   PHE  31           HB1      PHE  31  -9.476  -1.828  -1.828
  241    HD1  PHE  31           HD2      PHE  31  -6.163  -0.316  -0.316
  242    HD2  PHE  31           HD1      PHE  31 -10.009   0.236   0.236
  243    HE1  PHE  31           HE2      PHE  31  -5.674   2.097   2.097
  244    HE2  PHE  31           HE1      PHE  31  -9.520   2.649   2.649
  245    HZ   PHE  31           HZ       PHE  31  -7.343   3.579   3.579
  246    H    TYR  32           HN       TYR  32  -8.602  -3.934  -3.934
  247    HA   TYR  32           HA       TYR  32  -9.306  -6.183  -6.183
  248   1HB   TYR  32           HB1      TYR  32  -8.062  -7.764  -7.764
  249   2HB   TYR  32           HB2      TYR  32  -6.977  -6.473  -6.473
  250    HD1  TYR  32           HD2      TYR  32  -6.893  -4.407  -4.407
  251    HD2  TYR  32           HD1      TYR  32  -8.098  -8.392  -8.392
  252    HE1  TYR  32           HE2      TYR  32  -6.380  -3.932  -3.932
  253    HE2  TYR  32           HE1      TYR  32  -7.578  -7.917  -7.917
  254    HH   TYR  32           HH       TYR  32  -7.398  -5.137  -5.137
  255    H    ALA  33           HN       ALA  33 -10.209  -8.019  -8.019
  256    HA   ALA  33           HA       ALA  33 -12.067  -6.680  -6.680
  257   1HB   ALA  33           HB3      ALA  33 -12.537  -8.258  -8.258
  258   2HB   ALA  33           HB2      ALA  33 -13.406  -8.889  -8.889
  259   3HB   ALA  33           HB1      ALA  33 -13.652  -7.218  -7.218
  260    HA   PRO  34           HA       PRO  34 -10.719  -9.792  -9.792
  261   1HB   PRO  34           HB2      PRO  34 -12.999 -10.222 -10.222
  262   2HB   PRO  34           HB1      PRO  34 -11.986  -8.777  -8.777
  263   1HG   PRO  34           HG2      PRO  34 -14.523  -9.140  -9.140
  264   2HG   PRO  34           HG1      PRO  34 -14.010  -7.783  -7.783
  265   1HD   PRO  34           HD1      PRO  34 -13.870  -7.707  -7.707
  266   2HD   PRO  34           HD2      PRO  34 -12.710  -6.855  -6.855
  267    H    TRP  35           HN       TRP  35 -13.380 -10.316 -10.316
  268    HA   TRP  35           HA       TRP  35 -13.355 -13.255 -13.255
  269   1HB   TRP  35           HB2      TRP  35 -15.448 -13.166 -13.166
  270   2HB   TRP  35           HB1      TRP  35 -15.514 -12.086 -12.086
  271    HD1  TRP  35           HD1      TRP  35 -15.712  -9.540  -9.540
  272    HE1  TRP  35           HE1      TRP  35 -15.964  -8.099  -8.099
  273    HE3  TRP  35           HE3      TRP  35 -14.719 -13.052 -13.052
  274    HZ2  TRP  35           HZ2      TRP  35 -15.772  -8.397  -8.397
  275    HZ3  TRP  35           HZ3      TRP  35 -14.760 -12.446 -12.446
  276    HH2  TRP  35           HH2      TRP  35 -15.285 -10.125 -10.125
  277    H    CYS  36           HN       CYS  36 -12.119 -10.883 -10.883
  278    HA   CYS  36           HA       CYS  36 -12.172 -12.100 -12.100
  279   1HB   CYS  36           HB1      CYS  36 -11.249  -9.884  -9.884
  280   2HB   CYS  36           HB2      CYS  36  -9.942 -10.615 -10.615
  281    H    GLY  37           HN       GLY  37 -11.273 -13.959 -13.959
  282   1HA   GLY  37           HA1      GLY  37  -9.704 -15.680 -15.680
  283   2HA   GLY  37           HA2      GLY  37 -10.302 -16.124 -16.124
  284    H    HIS  38           HN       HIS  38  -7.563 -16.417 -16.417
  285    HA   HIS  38           HA       HIS  38  -5.343 -16.148 -16.148
  286   1HB   HIS  38           HB2      HIS  38  -7.089 -16.287 -16.287
  287   2HB   HIS  38           HB1      HIS  38  -6.109 -14.864 -14.864
  288    HD1  HIS  38           HD1      HIS  38  -5.310 -18.314 -18.314
  289    HD2  HIS  38           HD2      HIS  38  -3.914 -15.669 -15.669
  290    HE1  HIS  38           HE1      HIS  38  -3.281 -19.408 -19.408
  291    H    CYS  39           HN       CYS  39  -7.052 -13.742 -13.742
  292    HA   CYS  39           HA       CYS  39  -5.544 -11.458 -11.458
  293   1HB   CYS  39           HB2      CYS  39  -8.028 -11.972 -11.972
  294   2HB   CYS  39           HB1      CYS  39  -7.139 -10.605 -10.605
  295    H    LYS  40           HN       LYS  40  -5.468 -13.596 -13.596
  296    HA   LYS  40           HA       LYS  40  -3.769 -11.756 -11.756
  297   1HB   LYS  40           HB2      LYS  40  -4.908 -14.530 -14.530
  298   2HB   LYS  40           HB1      LYS  40  -3.995 -13.616 -13.616
  299   1HG   LYS  40           HG2      LYS  40  -5.664 -11.944 -11.944
  300   2HG   LYS  40           HG1      LYS  40  -6.440 -12.455 -12.455
  301   1HD   LYS  40           HD2      LYS  40  -7.853 -13.369 -13.369
  302   2HD   LYS  40           HD1      LYS  40  -6.792 -14.724 -14.724
  303   1HE   LYS  40           HE2      LYS  40  -5.294 -13.743 -13.743
  304   2HE   LYS  40           HE1      LYS  40  -6.814 -12.984 -12.984
  305   1HZ   LYS  40           HZ1      LYS  40  -7.856 -15.232 -15.232
  306   2HZ   LYS  40           HZ3      LYS  40  -6.287 -15.866 -15.866
  307   3HZ   LYS  40           HZ2      LYS  40  -6.792 -15.117 -15.117
  308    H    ALA  41           HN       ALA  41  -3.295 -14.042 -14.042
  309    HA   ALA  41           HA       ALA  41  -1.087 -15.586 -15.586
  310   1HB   ALA  41           HB1      ALA  41  -2.041 -14.407 -14.407
  311   2HB   ALA  41           HB3      ALA  41  -0.536 -15.326 -15.326
  312   3HB   ALA  41           HB2      ALA  41  -2.053 -16.093 -16.093
  313    H    LEU  42           HN       LEU  42  -1.290 -12.174 -12.174
  314    HA   LEU  42           HA       LEU  42   1.700 -11.969 -11.969
  315   1HB   LEU  42           HB2      LEU  42   0.334 -11.293 -11.293
  316   2HB   LEU  42           HB1      LEU  42  -0.126  -9.882  -9.882
  317    HG   LEU  42           HG       LEU  42   2.461  -9.722  -9.722
  318   1HD1  LEU  42          HD13      LEU  42   2.897 -11.917 -11.917
  319   2HD1  LEU  42          HD12      LEU  42   2.422 -11.153 -11.153
  320   3HD1  LEU  42          HD11      LEU  42   3.841 -10.573 -10.573
  321   1HD2  LEU  42          HD22      LEU  42   0.691  -8.494  -8.494
  322   2HD2  LEU  42          HD21      LEU  42   2.308  -7.921  -7.921
  323   3HD2  LEU  42          HD23      LEU  42   2.066  -8.930  -8.930
  324    H    ALA  43           HN       ALA  43  -0.472 -11.985 -11.985
  325    HA   ALA  43           HA       ALA  43  -0.697  -9.285  -9.285
  326   1HB   ALA  43           HB3      ALA  43  -1.821 -11.802 -11.802
  327   2HB   ALA  43           HB2      ALA  43  -0.960 -11.468 -11.468
  328   3HB   ALA  43           HB1      ALA  43  -2.185 -10.342 -10.342
  329    HA   PRO  44           HA       PRO  44   2.841 -10.528 -10.528
  330   1HB   PRO  44           HB1      PRO  44   3.926 -13.038 -13.038
  331   2HB   PRO  44           HB2      PRO  44   2.476 -12.672 -12.672
  332   1HG   PRO  44           HG2      PRO  44   2.733 -14.168 -14.168
  333   2HG   PRO  44           HG1      PRO  44   1.382 -14.107 -14.107
  334   1HD   PRO  44           HD2      PRO  44   1.691 -12.713 -12.713
  335   2HD   PRO  44           HD1      PRO  44   0.277 -12.778 -12.778
  336    H    GLU  45           HN       GLU  45   2.920 -10.519 -10.519
  337    HA   GLU  45           HA       GLU  45   5.917 -10.603 -10.603
  338   1HB   GLU  45           HB2      GLU  45   3.777 -10.890 -10.890
  339   2HB   GLU  45           HB1      GLU  45   5.516 -11.057 -11.057
  340   1HG   GLU  45           HG1      GLU  45   5.305 -13.244 -13.244
  341   2HG   GLU  45           HG2      GLU  45   4.904 -12.780 -12.780
  342    H    TYR  46           HN       TYR  46   2.947  -9.024  -9.024
  343    HA   TYR  46           HA       TYR  46   4.178  -6.638  -6.638
  344   1HB   TYR  46           HB2      TYR  46   1.958  -7.403  -7.403
  345   2HB   TYR  46           HB1      TYR  46   1.419  -7.372  -7.372
  346    HD1  TYR  46           HD1      TYR  46   1.388  -5.164  -5.164
  347    HD2  TYR  46           HD2      TYR  46   1.823  -5.475  -5.475
  348    HE1  TYR  46           HE1      TYR  46   0.697  -2.786  -2.786
  349    HE2  TYR  46           HE2      TYR  46   1.138  -3.111  -3.111
  350    HH   TYR  46           HH       TYR  46  -0.302  -1.448  -1.448
  351    H    ALA  47           HN       ALA  47   3.385  -7.790  -7.790
  352    HA   ALA  47           HA       ALA  47   3.535  -5.067  -5.067
  353   1HB   ALA  47           HB3      ALA  47   1.811  -6.739  -6.739
  354   2HB   ALA  47           HB2      ALA  47   3.100  -7.808  -7.808
  355   3HB   ALA  47           HB1      ALA  47   2.833  -6.260  -6.260
  356    H    LYS  48           HN       LYS  48   5.324  -8.134  -8.134
  357    HA   LYS  48           HA       LYS  48   7.279  -7.503  -7.503
  358   1HB   LYS  48           HB2      LYS  48   6.683  -9.532  -9.532
  359   2HB   LYS  48           HB1      LYS  48   8.337  -9.031  -9.031
  360   1HG   LYS  48           HG2      LYS  48   9.086 -10.113 -10.113
  361   2HG   LYS  48           HG1      LYS  48   7.985  -9.196  -9.196
  362   1HD   LYS  48           HD2      LYS  48   6.152 -10.805 -10.805
  363   2HD   LYS  48           HD1      LYS  48   7.447 -11.803 -11.803
  364   1HE   LYS  48           HE2      LYS  48   8.516 -11.649 -11.649
  365   2HE   LYS  48           HE1      LYS  48   6.913 -11.103 -11.103
  366   1HZ   LYS  48           HZ1      LYS  48   6.017 -13.060 -13.060
  367   2HZ   LYS  48           HZ3      LYS  48   7.610 -13.637 -13.637
  368   3HZ   LYS  48           HZ2      LYS  48   6.853 -13.438 -13.438
  369    H    ALA  49           HN       ALA  49   7.066  -6.696  -6.696
  370    HA   ALA  49           HA       ALA  49   9.695  -5.741  -5.741
  371   1HB   ALA  49           HB3      ALA  49   7.048  -5.608  -5.608
  372   2HB   ALA  49           HB2      ALA  49   7.900  -4.077  -4.077
  373   3HB   ALA  49           HB1      ALA  49   8.621  -5.574  -5.574
  374    H    ALA  50           HN       ALA  50   6.961  -4.275  -4.275
  375    HA   ALA  50           HA       ALA  50   8.143  -1.608  -1.608
  376   1HB   ALA  50           HB1      ALA  50   5.655  -2.552  -2.552
  377   2HB   ALA  50           HB3      ALA  50   6.040  -2.632  -2.632
  378   3HB   ALA  50           HB2      ALA  50   6.120  -1.089  -1.089
  379    H    GLY  51           HN       GLY  51   8.085  -4.519  -4.519
  380   1HA   GLY  51           HA2      GLY  51   9.233  -3.221  -3.221
  381   2HA   GLY  51           HA1      GLY  51   9.063  -4.962  -4.962
  382    H    LYS  52           HN       LYS  52  10.453  -4.750  -4.750
  383    HA   LYS  52           HA       LYS  52  13.086  -5.432  -5.432
  384   1HB   LYS  52           HB2      LYS  52  11.750  -4.358  -4.358
  385   2HB   LYS  52           HB1      LYS  52  13.491  -4.637  -4.637
  386   1HG   LYS  52           HG2      LYS  52  11.575  -6.771  -6.771
  387   2HG   LYS  52           HG1      LYS  52  11.966  -6.580  -6.580
  388   1HD   LYS  52           HD2      LYS  52  14.285  -7.002  -7.002
  389   2HD   LYS  52           HD1      LYS  52  14.099  -6.832  -6.832
  390   1HE   LYS  52           HE2      LYS  52  13.611  -9.034  -9.034
  391   2HE   LYS  52           HE1      LYS  52  12.292  -8.870  -8.870
  392   1HZ   LYS  52           HZ1      LYS  52  14.015  -8.843  -8.843
  393   2HZ   LYS  52           HZ3      LYS  52  15.180  -9.227  -9.227
  394   3HZ   LYS  52           HZ2      LYS  52  13.925 -10.321 -10.321
  395    H    LEU  53           HN       LEU  53  11.595  -2.298  -2.298
  396    HA   LEU  53           HA       LEU  53  14.185  -0.851  -0.851
  397   1HB   LEU  53           HB2      LEU  53  11.428   0.347   0.347
  398   2HB   LEU  53           HB1      LEU  53  12.852   1.067   1.067
  399    HG   LEU  53           HG       LEU  53  11.234  -1.241  -1.241
  400   1HD1  LEU  53          HD22      LEU  53  10.344   1.192   1.192
  401   2HD1  LEU  53          HD21      LEU  53  11.648   1.474   1.474
  402   3HD1  LEU  53          HD23      LEU  53  10.399   0.280   0.280
  403   1HD2  LEU  53          HD13      LEU  53  13.953  -0.493  -0.493
  404   2HD2  LEU  53          HD12      LEU  53  13.019  -1.717  -1.717
  405   3HD2  LEU  53          HD11      LEU  53  13.047  -0.055  -0.055
  406    H    LYS  54           HN       LYS  54  11.350  -1.373  -1.373
  407    HA   LYS  54           HA       LYS  54  11.017  -0.967  -0.967
  408   1HB   LYS  54           HB2      LYS  54  12.706  -2.782  -2.782
  409   2HB   LYS  54           HB1      LYS  54  13.991  -1.575  -1.575
  410   1HG   LYS  54           HG2      LYS  54  13.760  -1.042  -1.042
  411   2HG   LYS  54           HG1      LYS  54  12.011  -1.266  -1.266
  412   1HD   LYS  54           HD2      LYS  54  13.276  -3.797  -3.797
  413   2HD   LYS  54           HD1      LYS  54  13.977  -3.078  -3.078
  414   1HE   LYS  54           HE2      LYS  54  11.582  -2.620  -2.620
  415   2HE   LYS  54           HE1      LYS  54  11.060  -3.691  -3.691
  416   1HZ   LYS  54           HZ3      LYS  54  13.109  -4.419  -4.419
  417   2HZ   LYS  54           HZ2      LYS  54  11.475  -4.875  -4.875
  418   3HZ   LYS  54           HZ1      LYS  54  12.437  -5.434  -5.434
  419    H    ALA  55           HN       ALA  55  11.091   1.413   1.413
  420    HA   ALA  55           HA       ALA  55  11.512   3.711   3.711
  421   1HB   ALA  55           HB1      ALA  55  11.172   2.611   2.611
  422   2HB   ALA  55           HB3      ALA  55  12.880   3.015   3.015
  423   3HB   ALA  55           HB2      ALA  55  11.702   4.286   4.286
  424    H    GLU  56           HN       GLU  56  13.611   1.786   1.786
  425    HA   GLU  56           HA       GLU  56  16.238   2.416   2.416
  426   1HB   GLU  56           HB2      GLU  56  14.786   1.430   1.430
  427   2HB   GLU  56           HB1      GLU  56  16.274   2.271   2.271
  428   1HG   GLU  56           HG2      GLU  56  16.361   0.315   0.315
  429   2HG   GLU  56           HG1      GLU  56  16.295  -0.317  -0.317
  430    H    GLY  57           HN       GLY  57  13.963   4.322   4.322
  431   1HA   GLY  57           HA1      GLY  57  14.359   6.829   6.829
  432   2HA   GLY  57           HA2      GLY  57  16.022   6.484   6.484
  433    H    SER  58           HN       SER  58  14.549   4.373   4.373
  434    HA   SER  58           HA       SER  58  14.861   5.788   5.788
  435   1HB   SER  58           HB2      SER  58  13.082   3.460   3.460
  436   2HB   SER  58           HB1      SER  58  13.435   3.915   3.915
  437    HG   SER  58           HG       SER  58  14.865   2.384   2.384
  438    H    GLU  59           HN       GLU  59  12.855   6.026   6.026
  439    HA   GLU  59           HA       GLU  59  10.710   7.550   7.550
  440   1HB   GLU  59           HB1      GLU  59  10.711   8.979   8.979
  441   2HB   GLU  59           HB2      GLU  59  12.270   8.992   8.992
  442   1HG   GLU  59           HG2      GLU  59  13.183   7.388   7.388
  443   2HG   GLU  59           HG1      GLU  59  11.603   7.152   7.152
  444    H    ILE  60           HN       ILE  60  10.775   4.722   4.722
  445    HA   ILE  60           HA       ILE  60   8.700   4.623   4.623
  446    HB   ILE  60           HB       ILE  60   9.530   2.348   2.348
  447   1HG1  ILE  60          HG11      ILE  60  11.265   2.916   2.916
  448   2HG1  ILE  60          HG12      ILE  60   9.988   1.713   1.713
  449   1HG2  ILE  60          HG22      ILE  60  10.805   4.487   4.487
  450   2HG2  ILE  60          HG21      ILE  60  12.021   3.987   3.987
  451   3HG2  ILE  60          HG23      ILE  60  11.587   2.913   2.913
  452   1HD1  ILE  60          HD12      ILE  60  11.756   1.237   1.237
  453   2HD1  ILE  60          HD11      ILE  60  12.759   1.479   1.479
  454   3HD1  ILE  60          HD13      ILE  60  11.512   0.231   0.231
  455    H    ARG  61           HN       ARG  61   6.661   3.960   3.960
  456    HA   ARG  61           HA       ARG  61   6.361   2.327   2.327
  457   1HB   ARG  61           HB2      ARG  61   5.510   5.133   5.133
  458   2HB   ARG  61           HB1      ARG  61   4.352   4.101   4.101
  459   1HG   ARG  61           HG2      ARG  61   6.118   3.480   3.480
  460   2HG   ARG  61           HG1      ARG  61   7.231   4.581   4.581
  461   1HD   ARG  61           HD2      ARG  61   5.590   6.452   6.452
  462   2HD   ARG  61           HD1      ARG  61   4.658   5.314   5.314
  463    HE   ARG  61           HE       ARG  61   7.533   5.964   5.964
  464   1HH1  ARG  61          HH21      ARG  61   5.166   3.915   3.915
  465   2HH1  ARG  61          HH22      ARG  61   5.133   4.466   4.466
  466   1HH2  ARG  61          HH11      ARG  61   7.134   7.231   7.231
  467   2HH2  ARG  61          HH12      ARG  61   6.247   6.344   6.344
  468    H    LEU  62           HN       LEU  62   4.215   1.315   1.315
  469    HA   LEU  62           HA       LEU  62   2.758   1.291   1.291
  470   1HB   LEU  62           HB2      LEU  62   2.420  -1.216  -1.216
  471   2HB   LEU  62           HB1      LEU  62   4.007  -0.714  -0.714
  472    HG   LEU  62           HG       LEU  62   3.981  -2.358  -2.358
  473   1HD1  LEU  62          HD23      LEU  62   5.667  -0.191  -0.191
  474   2HD1  LEU  62          HD22      LEU  62   5.430  -0.166  -0.166
  475   3HD1  LEU  62          HD21      LEU  62   6.050  -1.618  -1.618
  476   1HD2  LEU  62          HD13      LEU  62   2.067  -1.059  -1.059
  477   2HD2  LEU  62          HD12      LEU  62   3.356  -1.722  -1.722
  478   3HD2  LEU  62          HD11      LEU  62   3.344  -0.008  -0.008
  479    H    ALA  63           HN       ALA  63   0.550   0.039   0.039
  480    HA   ALA  63           HA       ALA  63  -0.602   0.374   0.374
  481   1HB   ALA  63           HB2      ALA  63  -0.311   2.695   2.695
  482   2HB   ALA  63           HB1      ALA  63  -1.530   2.230   2.230
  483   3HB   ALA  63           HB3      ALA  63  -1.946   2.296   2.296
  484    H    LYS  64           HN       LYS  64  -3.168   0.233   0.233
  485    HA   LYS  64           HA       LYS  64  -3.921  -1.415  -1.415
  486   1HB   LYS  64           HB1      LYS  64  -3.340  -2.334  -2.334
  487   2HB   LYS  64           HB2      LYS  64  -4.848  -2.948  -2.948
  488   1HG   LYS  64           HG2      LYS  64  -3.607  -3.688  -3.688
  489   2HG   LYS  64           HG1      LYS  64  -2.105  -3.146  -3.146
  490   1HD   LYS  64           HD2      LYS  64  -1.960  -5.025  -5.025
  491   2HD   LYS  64           HD1      LYS  64  -3.617  -4.839  -4.839
  492   1HE   LYS  64           HE2      LYS  64  -4.492  -5.918  -5.918
  493   2HE   LYS  64           HE1      LYS  64  -2.867  -5.989  -5.989
  494   1HZ   LYS  64           HZ1      LYS  64  -2.143  -7.300  -7.300
  495   2HZ   LYS  64           HZ3      LYS  64  -3.700  -7.238  -7.238
  496   3HZ   LYS  64           HZ2      LYS  64  -3.433  -8.073  -8.073
  497    H    VAL  65           HN       VAL  65  -6.231  -1.707  -1.707
  498    HA   VAL  65           HA       VAL  65  -7.857   0.118   0.118
  499    HB   VAL  65           HB       VAL  65  -8.046  -0.434  -0.434
  500   1HG1  VAL  65          HG12      VAL  65 -10.219   0.025   0.025
  501   2HG1  VAL  65          HG11      VAL  65  -9.560   1.618   1.618
  502   3HG1  VAL  65          HG13      VAL  65  -9.839   1.155   1.155
  503   1HG2  VAL  65          HG21      VAL  65  -6.339   1.286   1.286
  504   2HG2  VAL  65          HG23      VAL  65  -6.663   1.314   1.314
  505   3HG2  VAL  65          HG22      VAL  65  -7.616   2.320   2.320
  506    H    ASP  66           HN       ASP  66 -10.071  -0.593  -0.593
  507    HA   ASP  66           HA       ASP  66 -10.438  -3.530  -3.530
  508   1HB   ASP  66           HB2      ASP  66 -10.990  -1.593  -1.593
  509   2HB   ASP  66           HB1      ASP  66 -12.364  -2.641  -2.641
  510    H    ALA  67           HN       ALA  67 -11.348  -3.447  -3.447
  511    HA   ALA  67           HA       ALA  67 -13.174  -1.669  -1.669
  512   1HB   ALA  67           HB1      ALA  67 -12.094  -4.165  -4.165
  513   2HB   ALA  67           HB3      ALA  67 -13.829  -4.475  -4.475
  514   3HB   ALA  67           HB2      ALA  67 -13.175  -3.257  -3.257
  515    H    THR  68           HN       THR  68 -13.793  -4.039  -4.039
  516    HA   THR  68           HA       THR  68 -16.715  -3.875  -3.875
  517    HB   THR  68           HB       THR  68 -16.511  -5.243  -5.243
  518    HG1  THR  68           HG1      THR  68 -14.588  -5.538  -5.538
  519   1HG2  THR  68          HG23      THR  68 -16.543  -6.100  -6.100
  520   2HG2  THR  68          HG22      THR  68 -14.811  -6.355  -6.355
  521   3HG2  THR  68          HG21      THR  68 -15.964  -7.202  -7.202
  522    H    GLU  69           HN       GLU  69 -14.242  -2.040  -2.040
  523    HA   GLU  69           HA       GLU  69 -16.276  -0.761  -0.761
  524   1HB   GLU  69           HB1      GLU  69 -14.030  -2.021  -2.021
  525   2HB   GLU  69           HB2      GLU  69 -13.322  -0.450  -0.450
  526   1HG   GLU  69           HG1      GLU  69 -14.720   0.661   0.661
  527   2HG   GLU  69           HG2      GLU  69 -15.749  -0.759  -0.759
  528    H    GLU  70           HN       GLU  70 -13.623  -0.231  -0.231
  529    HA   GLU  70           HA       GLU  70 -14.297   2.687   2.687
  530   1HB   GLU  70           HB2      GLU  70 -11.869   1.212   1.212
  531   2HB   GLU  70           HB1      GLU  70 -12.035   2.951   2.951
  532   1HG   GLU  70           HG1      GLU  70 -12.323   2.534   2.534
  533   2HG   GLU  70           HG2      GLU  70 -11.977   0.833   0.833
  534    H    SER  71           HN       SER  71 -15.840   0.530   0.530
  535    HA   SER  71           HA       SER  71 -15.322   0.101   0.101
  536   1HB   SER  71           HB2      SER  71 -17.401  -0.246  -0.246
  537   2HB   SER  71           HB1      SER  71 -18.085   0.919   0.919
  538    HG   SER  71           HG       SER  71 -17.436  -1.726  -1.726
  539    H    ASP  72           HN       ASP  72 -16.596   3.052   3.052
  540    HA   ASP  72           HA       ASP  72 -17.327   4.482   4.482
  541   1HB   ASP  72           HB2      ASP  72 -16.677   4.984   4.984
  542   2HB   ASP  72           HB1      ASP  72 -16.289   6.350   6.350
  543    H    LEU  73           HN       LEU  73 -14.187   3.813   3.813
  544    HA   LEU  73           HA       LEU  73 -12.704   5.762   5.762
  545   1HB   LEU  73           HB2      LEU  73 -12.308   4.117   4.117
  546   2HB   LEU  73           HB1      LEU  73 -11.279   3.391   3.391
  547    HG   LEU  73           HG       LEU  73 -10.168   5.535   5.535
  548   1HD1  LEU  73          HD22      LEU  73 -12.474   6.516   6.516
  549   2HD1  LEU  73          HD21      LEU  73 -10.940   7.203   7.203
  550   3HD1  LEU  73          HD23      LEU  73 -11.447   7.370   7.370
  551   1HD2  LEU  73          HD12      LEU  73  -9.495   3.997   3.997
  552   2HD2  LEU  73          HD11      LEU  73  -8.953   5.672   5.672
  553   3HD2  LEU  73          HD13      LEU  73 -10.342   5.122   5.122
  554    H    ALA  74           HN       ALA  74 -13.192   2.237   2.237
  555    HA   ALA  74           HA       ALA  74 -11.682   1.876   1.876
  556   1HB   ALA  74           HB3      ALA  74 -13.233   0.365   0.365
  557   2HB   ALA  74           HB2      ALA  74 -13.737  -0.080  -0.080
  558   3HB   ALA  74           HB1      ALA  74 -12.045  -0.231  -0.231
  559    H    GLN  75           HN       GLN  75 -15.067   2.624   2.624
  560    HA   GLN  75           HA       GLN  75 -16.062   2.267   2.267
  561   1HB   GLN  75           HB2      GLN  75 -17.426   2.280   2.280
  562   2HB   GLN  75           HB1      GLN  75 -17.041   3.987   3.987
  563   1HG   GLN  75           HG2      GLN  75 -18.413   4.668   4.668
  564   2HG   GLN  75           HG1      GLN  75 -18.173   3.182   3.182
  565   1HE2  GLN  75          HE22      GLN  75 -21.572   3.427   3.427
  566   2HE2  GLN  75          HE21      GLN  75 -20.691   4.684   4.684
  567    H    GLN  76           HN       GLN  76 -14.590   4.953   4.953
  568    HA   GLN  76           HA       GLN  76 -15.229   7.062   7.062
  569   1HB   GLN  76           HB2      GLN  76 -13.259   6.486   6.486
  570   2HB   GLN  76           HB1      GLN  76 -12.890   7.837   7.837
  571   1HG   GLN  76           HG1      GLN  76 -15.603   8.155   8.155
  572   2HG   GLN  76           HG2      GLN  76 -14.911   7.635   7.635
  573   1HE2  GLN  76          HE22      GLN  76 -13.303  11.053  11.053
  574   2HE2  GLN  76          HE21      GLN  76 -13.733   9.767   9.767
  575    H    TYR  77           HN       TYR  77 -12.685   4.613   4.613
  576    HA   TYR  77           HA       TYR  77 -11.480   5.805   5.805
  577   1HB   TYR  77           HB2      TYR  77 -10.621   3.995   3.995
  578   2HB   TYR  77           HB1      TYR  77  -9.807   3.837   3.837
  579    HD1  TYR  77           HD1      TYR  77 -10.708   6.275   6.275
  580    HD2  TYR  77           HD2      TYR  77  -8.214   5.446   5.446
  581    HE1  TYR  77           HE1      TYR  77  -9.352   8.291   8.291
  582    HE2  TYR  77           HE2      TYR  77  -6.858   7.461   7.461
  583    HH   TYR  77           HH       TYR  77  -7.061   9.562   9.562
  584    H    GLY  78           HN       GLY  78 -13.613   3.299   3.299
  585   1HA   GLY  78           HA1      GLY  78 -14.647   1.598   1.598
  586   2HA   GLY  78           HA2      GLY  78 -13.955   2.340   2.340
  587    H    VAL  79           HN       VAL  79 -12.921   0.413   0.413
  588    HA   VAL  79           HA       VAL  79 -10.479  -0.545  -0.545
  589    HB   VAL  79           HB       VAL  79 -10.748  -2.283  -2.283
  590   1HG1  VAL  79          HG21      VAL  79 -10.114   0.092   0.092
  591   2HG1  VAL  79          HG23      VAL  79 -11.810   0.396   0.396
  592   3HG1  VAL  79          HG22      VAL  79 -10.893  -0.774  -0.774
  593   1HG2  VAL  79          HG11      VAL  79 -13.541  -1.699  -1.699
  594   2HG2  VAL  79          HG13      VAL  79 -12.830  -3.043  -3.043
  595   3HG2  VAL  79          HG12      VAL  79 -13.164  -1.518  -1.518
  596    H    ARG  80           HN       ARG  80 -10.109  -2.876  -2.876
  597    HA   ARG  80           HA       ARG  80 -12.186  -3.651  -3.651
  598   1HB   ARG  80           HB2      ARG  80  -9.247  -4.081  -4.081
  599   2HB   ARG  80           HB1      ARG  80 -10.132  -5.213  -5.213
  600   1HG   ARG  80           HG2      ARG  80 -11.056  -2.765  -2.765
  601   2HG   ARG  80           HG1      ARG  80  -9.363  -2.425  -2.425
  602   1HD   ARG  80           HD2      ARG  80  -9.414  -3.188  -3.188
  603   2HD   ARG  80           HD1      ARG  80  -8.813  -4.561  -4.561
  604    HE   ARG  80           HE       ARG  80 -11.744  -4.365  -4.365
  605   1HH1  ARG  80          HH11      ARG  80 -11.446  -6.887  -6.887
  606   2HH1  ARG  80          HH12      ARG  80 -10.916  -7.871  -7.871
  607   1HH2  ARG  80          HH21      ARG  80  -9.873  -5.184  -5.184
  608   2HH2  ARG  80          HH22      ARG  80 -10.024  -6.907  -6.907
  609    H    GLY  81           HN       GLY  81 -10.410  -4.953  -4.953
  610   1HA   GLY  81           HA1      GLY  81 -12.507  -6.772  -6.772
  611   2HA   GLY  81           HA2      GLY  81 -11.244  -7.650  -7.650
  612    H    TYR  82           HN       TYR  82 -10.309  -8.789  -8.789
  613    HA   TYR  82           HA       TYR  82  -8.859  -7.158  -7.158
  614   1HB   TYR  82           HB2      TYR  82 -10.666  -9.498  -9.498
  615   2HB   TYR  82           HB1      TYR  82  -9.804  -8.466  -8.466
  616    HD1  TYR  82           HD1      TYR  82 -10.507  -6.129  -6.129
  617    HD2  TYR  82           HD2      TYR  82 -12.684  -8.743  -8.743
  618    HE1  TYR  82           HE1      TYR  82 -12.424  -4.555  -4.555
  619    HE2  TYR  82           HE2      TYR  82 -14.603  -7.172  -7.172
  620    HH   TYR  82           HH       TYR  82 -14.693  -4.420  -4.420
  621    HA   PRO  83           HA       PRO  83  -7.556  -7.420  -7.420
  622   1HB   PRO  83           HB2      PRO  83  -4.855  -7.365  -7.365
  623   2HB   PRO  83           HB1      PRO  83  -5.934  -8.463  -8.463
  624   1HG   PRO  83           HG2      PRO  83  -4.034  -9.026  -9.026
  625   2HG   PRO  83           HG1      PRO  83  -4.678 -10.101 -10.101
  626   1HD   PRO  83           HD2      PRO  83  -5.483  -9.928  -9.928
  627   2HD   PRO  83           HD1      PRO  83  -6.220 -10.904 -10.904
  628    H    THR  84           HN       THR  84  -7.339  -5.273  -5.273
  629    HA   THR  84           HA       THR  84  -6.059  -4.736  -4.736
  630    HB   THR  84           HB       THR  84  -7.436  -2.605  -2.605
  631    HG1  THR  84           HG1      THR  84  -9.332  -3.559  -3.559
  632   1HG2  THR  84          HG21      THR  84  -6.639  -2.529  -2.529
  633   2HG2  THR  84          HG23      THR  84  -7.970  -3.628  -3.628
  634   3HG2  THR  84          HG22      THR  84  -8.303  -2.024  -2.024
  635    H    ILE  85           HN       ILE  85  -3.865  -4.384  -4.384
  636    HA   ILE  85           HA       ILE  85  -2.906  -2.867  -2.867
  637    HB   ILE  85           HB       ILE  85  -1.270  -4.111  -4.111
  638   1HG1  ILE  85          HG12      ILE  85  -2.772  -5.875  -5.875
  639   2HG1  ILE  85          HG11      ILE  85  -1.171  -6.165  -6.165
  640   1HG2  ILE  85          HG22      ILE  85  -0.802  -3.067  -3.067
  641   2HG2  ILE  85          HG21      ILE  85   0.097  -4.515  -4.515
  642   3HG2  ILE  85          HG23      ILE  85   0.254  -3.041  -3.041
  643   1HD1  ILE  85          HD12      ILE  85  -2.306  -4.563  -4.563
  644   2HD1  ILE  85          HD11      ILE  85  -3.698  -5.493  -5.493
  645   3HD1  ILE  85          HD13      ILE  85  -2.271  -6.325  -6.325
  646    H    LYS  86           HN       LYS  86  -2.039  -0.803  -0.803
  647    HA   LYS  86           HA       LYS  86  -1.616   0.320   0.320
  648   1HB   LYS  86           HB1      LYS  86  -3.183   1.598   1.598
  649   2HB   LYS  86           HB2      LYS  86  -2.900   2.310   2.310
  650   1HG   LYS  86           HG2      LYS  86  -4.063   0.341   0.341
  651   2HG   LYS  86           HG1      LYS  86  -4.451  -0.228  -0.228
  652   1HD   LYS  86           HD2      LYS  86  -6.375   0.977   0.977
  653   2HD   LYS  86           HD1      LYS  86  -5.415   2.211   2.211
  654   1HE   LYS  86           HE2      LYS  86  -4.890   3.314   3.314
  655   2HE   LYS  86           HE1      LYS  86  -5.151   1.862   1.862
  656   1HZ   LYS  86           HZ1      LYS  86  -7.317   3.136   3.136
  657   2HZ   LYS  86           HZ3      LYS  86  -7.002   3.573   3.573
  658   3HZ   LYS  86           HZ2      LYS  86  -7.466   1.981   1.981
  659    H    PHE  87           HN       PHE  87  -0.457   2.538   2.538
  660    HA   PHE  87           HA       PHE  87   1.197   2.717   2.717
  661   1HB   PHE  87           HB2      PHE  87   2.432   1.251   1.251
  662   2HB   PHE  87           HB1      PHE  87   2.194   2.349   2.349
  663    HD1  PHE  87           HD1      PHE  87   3.060   3.269   3.269
  664    HD2  PHE  87           HD2      PHE  87   4.427   2.950   2.950
  665    HE1  PHE  87           HE1      PHE  87   5.138   4.488   4.488
  666    HE2  PHE  87           HE2      PHE  87   6.501   4.165   4.165
  667    HZ   PHE  87           HZ       PHE  87   6.857   4.933   4.933
  668    H    PHE  88           HN       PHE  88   1.265   4.831   4.831
  669    HA   PHE  88           HA       PHE  88   0.805   6.925   6.925
  670   1HB   PHE  88           HB1      PHE  88   0.102   6.595   6.595
  671   2HB   PHE  88           HB2      PHE  88   0.113   8.193   8.193
  672    HD1  PHE  88           HD2      PHE  88  -1.412   8.706   8.706
  673    HD2  PHE  88           HD1      PHE  88  -1.587   4.971   4.971
  674    HE1  PHE  88           HE2      PHE  88  -3.643   8.254   8.254
  675    HE2  PHE  88           HE1      PHE  88  -3.818   4.520   4.520
  676    HZ   PHE  88           HZ       PHE  88  -4.847   6.161   6.161
  677    H    ARG  89           HN       ARG  89   2.091   8.894   8.894
  678    HA   ARG  89           HA       ARG  89   4.464   8.691   8.691
  679   1HB   ARG  89           HB2      ARG  89   5.879   9.299   9.299
  680   2HB   ARG  89           HB1      ARG  89   5.051   7.761   7.761
  681   1HG   ARG  89           HG2      ARG  89   4.138   8.580   8.580
  682   2HG   ARG  89           HG1      ARG  89   3.288   9.786   9.786
  683   1HD   ARG  89           HD2      ARG  89   4.578  11.047  11.047
  684   2HD   ARG  89           HD1      ARG  89   5.507  11.127  11.127
  685    HE   ARG  89           HE       ARG  89   6.098   8.935   8.935
  686   1HH1  ARG  89          HH11      ARG  89   8.252   8.490   8.490
  687   2HH1  ARG  89          HH12      ARG  89   9.376   9.799   9.799
  688   1HH2  ARG  89          HH21      ARG  89   6.994  12.061  12.061
  689   2HH2  ARG  89          HH22      ARG  89   8.663  11.821  11.821
  690    H    ASN  90           HN       ASN  90   4.853  10.637  10.637
  691    HA   ASN  90           HA       ASN  90   4.611  12.926  12.926
  692   1HB   ASN  90           HB1      ASN  90   6.042  12.953  12.953
  693   2HB   ASN  90           HB2      ASN  90   4.592  13.058  13.058
  694   1HD2  ASN  90          HD22      ASN  90   4.917  16.573  16.573
  695   2HD2  ASN  90          HD21      ASN  90   4.882  15.206  15.206
  696    H    GLY  91           HN       GLY  91   2.118  11.257  11.257
  697   1HA   GLY  91           HA2      GLY  91  -0.195  11.651  11.651
  698   2HA   GLY  91           HA1      GLY  91   0.186  13.349  13.349
  699    H    ASP  92           HN       ASP  92   0.605  11.027  11.027
  700    HA   ASP  92           HA       ASP  92   0.376  13.022  13.022
  701   1HB   ASP  92           HB2      ASP  92   1.145  10.397  10.397
  702   2HB   ASP  92           HB1      ASP  92  -0.395  10.238  10.238
  703    H    THR  93           HN       THR  93  -1.934  10.465  10.465
  704    HA   THR  93           HA       THR  93  -4.275  10.326  10.326
  705    HB   THR  93           HB       THR  93  -4.874  13.121  13.121
  706    HG1  THR  93           HG1      THR  93  -3.568  13.693  13.693
  707   1HG2  THR  93          HG21      THR  93  -4.834  10.810  10.810
  708   2HG2  THR  93          HG23      THR  93  -5.583  12.373  12.373
  709   3HG2  THR  93          HG22      THR  93  -6.203  11.353  11.353
  710    H    ALA  94           HN       ALA  94  -2.691  10.752  10.752
  711    HA   ALA  94           HA       ALA  94  -4.880  11.703  11.703
  712   1HB   ALA  94           HB3      ALA  94  -3.164  13.569  13.569
  713   2HB   ALA  94           HB2      ALA  94  -2.220  12.972  12.972
  714   3HB   ALA  94           HB1      ALA  94  -3.835  13.629  13.629
  715    H    SER  95           HN       SER  95  -1.462  10.717  10.717
  716    HA   SER  95           HA       SER  95  -1.977   8.861   8.861
  717   1HB   SER  95           HB2      SER  95   0.148  10.965  10.965
  718   2HB   SER  95           HB1      SER  95   0.446   9.579   9.579
  719    HG   SER  95           HG       SER  95  -0.483  10.911  10.911
  720    HA   PRO  96           HA       PRO  96   0.351   7.047   7.047
  721   1HB   PRO  96           HB2      PRO  96  -1.534   5.226   5.226
  722   2HB   PRO  96           HB1      PRO  96  -1.464   6.879   6.879
  723   1HG   PRO  96           HG2      PRO  96  -3.237   5.722   5.722
  724   2HG   PRO  96           HG1      PRO  96  -3.610   6.903   6.903
  725   1HD   PRO  96           HD1      PRO  96  -3.168   7.569   7.569
  726   2HD   PRO  96           HD2      PRO  96  -2.871   8.668   8.668
  727    H    LYS  97           HN       LYS  97   0.869   4.605   4.605
  728    HA   LYS  97           HA       LYS  97   0.695   3.295   3.295
  729   1HB   LYS  97           HB1      LYS  97   2.871   3.830   3.830
  730   2HB   LYS  97           HB2      LYS  97   2.897   2.228   2.228
  731   1HG   LYS  97           HG2      LYS  97   2.703   3.330   3.330
  732   2HG   LYS  97           HG1      LYS  97   2.870   4.892   4.892
  733   1HD   LYS  97           HD2      LYS  97   4.969   3.342   3.342
  734   2HD   LYS  97           HD1      LYS  97   4.929   2.965   2.965
  735   1HE   LYS  97           HE2      LYS  97   4.770   5.831   5.831
  736   2HE   LYS  97           HE1      LYS  97   6.335   5.023   5.023
  737   1HZ   LYS  97           HZ1      LYS  97   5.476   4.296   4.296
  738   2HZ   LYS  97           HZ3      LYS  97   4.195   5.387   5.387
  739   3HZ   LYS  97           HZ2      LYS  97   5.794   5.959   5.959
  740    H    GLU  98           HN       GLU  98   0.725   0.885   0.885
  741    HA   GLU  98           HA       GLU  98  -0.635  -0.106  -0.106
  742   1HB   GLU  98           HB2      GLU  98  -1.626  -1.767  -1.767
  743   2HB   GLU  98           HB1      GLU  98  -1.926  -0.124  -0.124
  744   1HG   GLU  98           HG1      GLU  98  -0.943  -0.652  -0.652
  745   2HG   GLU  98           HG2      GLU  98   0.572  -0.910  -0.910
  746    H    TYR  99           HN       TYR  99   0.235  -1.884  -1.884
  747    HA   TYR  99           HA       TYR  99   2.989  -2.626  -2.626
  748   1HB   TYR  99           HB2      TYR  99   1.799  -2.518  -2.518
  749   2HB   TYR  99           HB1      TYR  99   0.866  -3.935  -3.935
  750    HD1  TYR  99           HD1      TYR  99   4.424  -2.765  -2.765
  751    HD2  TYR  99           HD2      TYR  99   1.681  -6.055  -6.055
  752    HE1  TYR  99           HE1      TYR  99   6.275  -4.234  -4.234
  753    HE2  TYR  99           HE2      TYR  99   3.534  -7.526  -7.526
  754    HH   TYR  99           HH       TYR  99   5.754  -7.269  -7.269
  755    H    THR 100           HN       THR 100   3.756  -4.350  -4.350
  756    HA   THR 100           HA       THR 100   1.739  -6.103  -6.103
  757    HB   THR 100           HB       THR 100   3.828  -6.583  -6.583
  758    HG1  THR 100           HG1      THR 100   5.534  -5.246  -5.246
  759   1HG2  THR 100          HG22      THR 100   2.598  -3.832  -3.832
  760   2HG2  THR 100          HG21      THR 100   3.675  -4.281  -4.281
  761   3HG2  THR 100          HG23      THR 100   2.142  -5.125  -5.125
  762    H    ALA 101           HN       ALA 101   4.847  -6.266  -6.266
  763    HA   ALA 101           HA       ALA 101   5.132  -9.096  -9.096
  764   1HB   ALA 101           HB2      ALA 101   6.172  -6.711  -6.711
  765   2HB   ALA 101           HB1      ALA 101   6.200  -8.148  -8.148
  766   3HB   ALA 101           HB3      ALA 101   7.031  -8.155  -8.155
  767    H    GLY 102           HN       GLY 102   5.239  -9.772  -9.772
  768   1HA   GLY 102           HA2      GLY 102   3.368  -9.336  -9.336
  769   2HA   GLY 102           HA1      GLY 102   2.331  -9.999  -9.999
  770    H    ARG 103           HN       ARG 103   5.508 -10.817 -10.817
  771    HA   ARG 103           HA       ARG 103   4.547 -13.650 -13.650
  772   1HB   ARG 103           HB1      ARG 103   6.662 -12.507 -12.507
  773   2HB   ARG 103           HB2      ARG 103   7.421 -13.350 -13.350
  774   1HG   ARG 103           HG2      ARG 103   6.865 -15.388 -15.388
  775   2HG   ARG 103           HG1      ARG 103   5.230 -14.868 -14.868
  776   1HD   ARG 103           HD2      ARG 103   7.177 -13.569 -13.569
  777   2HD   ARG 103           HD1      ARG 103   7.321 -15.335 -15.335
  778    HE   ARG 103           HE       ARG 103   4.560 -14.761 -14.761
  779   1HH1  ARG 103          HH21      ARG 103   6.045 -16.265 -16.265
  780   2HH1  ARG 103          HH22      ARG 103   5.759 -15.256 -15.256
  781   1HH2  ARG 103          HH11      ARG 103   4.744 -12.524 -12.524
  782   2HH2  ARG 103          HH12      ARG 103   5.023 -13.138 -13.138
  783    H    GLU 104           HN       GLU 104   7.191 -11.577 -11.577
  784    HA   GLU 104           HA       GLU 104   6.459 -12.336 -12.336
  785   1HB   GLU 104           HB1      GLU 104   9.162 -12.557 -12.557
  786   2HB   GLU 104           HB2      GLU 104   8.927 -12.725 -12.725
  787   1HG   GLU 104           HG2      GLU 104   8.487 -14.907 -14.907
  788   2HG   GLU 104           HG1      GLU 104   7.010 -14.417 -14.417
  789    H    ALA 105           HN       ALA 105   7.526 -10.837 -10.837
  790    HA   ALA 105           HA       ALA 105   7.166  -8.121  -8.121
  791   1HB   ALA 105           HB1      ALA 105   8.065  -9.746  -9.746
  792   2HB   ALA 105           HB3      ALA 105   9.512  -8.803  -8.803
  793   3HB   ALA 105           HB2      ALA 105   8.017  -7.986  -7.986
  794    H    ASP 106           HN       ASP 106   9.986 -10.060 -10.060
  795    HA   ASP 106           HA       ASP 106  11.808  -7.934  -7.934
  796   1HB   ASP 106           HB2      ASP 106  11.383 -10.716 -10.716
  797   2HB   ASP 106           HB1      ASP 106  12.769  -9.712  -9.712
  798    H    ASP 107           HN       ASP 107   9.495  -9.660  -9.660
  799    HA   ASP 107           HA       ASP 107   9.925  -8.259  -8.259
  800   1HB   ASP 107           HB1      ASP 107   7.586  -9.631  -9.631
  801   2HB   ASP 107           HB2      ASP 107   7.380  -8.859  -8.859
  802    H    ILE 108           HN       ILE 108   8.103  -7.368  -7.368
  803    HA   ILE 108           HA       ILE 108   6.713  -5.099  -5.099
  804    HB   ILE 108           HB       ILE 108   7.546  -5.748  -5.748
  805   1HG1  ILE 108          HG12      ILE 108   6.285  -7.583  -7.583
  806   2HG1  ILE 108          HG11      ILE 108   5.334  -6.815  -6.815
  807   1HG2  ILE 108          HG23      ILE 108   5.620  -3.794  -3.794
  808   2HG2  ILE 108          HG22      ILE 108   5.299  -4.454  -4.454
  809   3HG2  ILE 108          HG21      ILE 108   6.778  -3.540  -3.540
  810   1HD1  ILE 108          HD11      ILE 108   4.876  -5.369  -5.369
  811   2HD1  ILE 108          HD13      ILE 108   4.690  -7.086  -7.086
  812   3HD1  ILE 108          HD12      ILE 108   3.728  -6.344  -6.344
  813    H    VAL 109           HN       VAL 109   9.716  -5.413  -5.413
  814    HA   VAL 109           HA       VAL 109  10.302  -2.565  -2.565
  815    HB   VAL 109           HB       VAL 109  11.982  -5.033  -5.033
  816   1HG1  VAL 109          HG22      VAL 109  13.207  -2.855  -2.855
  817   2HG1  VAL 109          HG21      VAL 109  12.509  -2.193  -2.193
  818   3HG1  VAL 109          HG23      VAL 109  13.598  -3.579  -3.579
  819   1HG2  VAL 109          HG11      VAL 109   9.836  -3.837  -3.837
  820   2HG2  VAL 109          HG13      VAL 109  10.916  -5.114  -5.114
  821   3HG2  VAL 109          HG12      VAL 109  11.311  -3.422  -3.422
  822    H    ASN 110           HN       ASN 110  11.208  -5.390  -5.390
  823    HA   ASN 110           HA       ASN 110  13.311  -4.282  -4.282
  824   1HB   ASN 110           HB2      ASN 110  12.052  -6.656  -6.656
  825   2HB   ASN 110           HB1      ASN 110  11.304  -6.090  -6.090
  826   1HD2  ASN 110          HD22      ASN 110  14.905  -7.706  -7.706
  827   2HD2  ASN 110          HD21      ASN 110  13.783  -7.987  -7.987
  828    H    TRP 111           HN       TRP 111   9.793  -4.107  -4.107
  829    HA   TRP 111           HA       TRP 111   9.960  -2.637  -2.637
  830   1HB   TRP 111           HB1      TRP 111   8.113  -4.198  -4.198
  831   2HB   TRP 111           HB2      TRP 111   7.508  -2.599  -2.599
  832    HD1  TRP 111           HD1      TRP 111   8.070  -4.906  -4.906
  833    HE1  TRP 111           HE1      TRP 111   6.876  -3.931  -3.931
  834    HE3  TRP 111           HE3      TRP 111   6.701  -0.344  -0.344
  835    HZ2  TRP 111           HZ2      TRP 111   5.520  -1.533  -1.533
  836    HZ3  TRP 111           HZ3      TRP 111   5.460   1.264   1.264
  837    HH2  TRP 111           HH2      TRP 111   4.868   0.677   0.677
  838    H    LEU 112           HN       LEU 112   9.781  -1.885  -1.885
  839    HA   LEU 112           HA       LEU 112   9.100   0.948   0.948
  840   1HB   LEU 112           HB1      LEU 112   9.546  -0.906  -0.906
  841   2HB   LEU 112           HB2      LEU 112   9.620   0.833   0.833
  842    HG   LEU 112           HG       LEU 112   7.318  -0.385  -0.385
  843   1HD1  LEU 112          HD13      LEU 112   7.946  -1.117  -1.117
  844   2HD1  LEU 112          HD12      LEU 112   6.797   0.203   0.203
  845   3HD1  LEU 112          HD11      LEU 112   6.347  -1.213  -1.213
  846   1HD2  LEU 112          HD23      LEU 112   8.029   2.196   2.196
  847   2HD2  LEU 112          HD22      LEU 112   6.351   1.676   1.676
  848   3HD2  LEU 112          HD21      LEU 112   7.049   1.924   1.924
  849    H    LYS 113           HN       LYS 113  11.980  -1.013  -1.013
  850    HA   LYS 113           HA       LYS 113  13.621   1.402   1.402
  851   1HB   LYS 113           HB2      LYS 113  15.340  -0.238  -0.238
  852   2HB   LYS 113           HB1      LYS 113  13.831  -0.738  -0.738
  853   1HG   LYS 113           HG2      LYS 113  14.352  -2.743  -2.743
  854   2HG   LYS 113           HG1      LYS 113  13.568  -1.998  -1.998
  855   1HD   LYS 113           HD2      LYS 113  15.558  -1.603  -1.603
  856   2HD   LYS 113           HD1      LYS 113  16.470  -1.443  -1.443
  857   1HE   LYS 113           HE2      LYS 113  15.968  -3.990  -3.990
  858   2HE   LYS 113           HE1      LYS 113  15.637  -3.961  -3.961
  859   1HZ   LYS 113           HZ3      LYS 113  17.780  -2.792  -2.792
  860   2HZ   LYS 113           HZ2      LYS 113  18.111  -3.030  -3.030
  861   3HZ   LYS 113           HZ1      LYS 113  17.965  -4.365  -4.365
  862    H    LYS 114           HN       LYS 114  12.451  -0.045  -0.045
  863    HA   LYS 114           HA       LYS 114  14.711  -0.384  -0.384
  864   1HB   LYS 114           HB2      LYS 114  12.400  -1.082  -1.082
  865   2HB   LYS 114           HB1      LYS 114  11.899   0.606   0.606
  866   1HG   LYS 114           HG2      LYS 114  12.268   0.112   0.112
  867   2HG   LYS 114           HG1      LYS 114  13.812   0.817   0.817
  868   1HD   LYS 114           HD2      LYS 114  14.798  -1.081  -1.081
  869   2HD   LYS 114           HD1      LYS 114  14.033  -1.902  -1.902
  870   1HE   LYS 114           HE2      LYS 114  12.523  -2.950  -2.950
  871   2HE   LYS 114           HE1      LYS 114  12.226  -1.478  -1.478
  872   1HZ   LYS 114           HZ2      LYS 114  14.579  -1.829  -1.829
  873   2HZ   LYS 114           HZ1      LYS 114  14.449  -3.412  -3.412
  874   3HZ   LYS 114           HZ3      LYS 114  13.377  -2.872  -2.872
  875    H    ARG 115           HN       ARG 115  13.170   2.505   2.505
  876    HA   ARG 115           HA       ARG 115  14.571   4.234   4.234
  877   1HB   ARG 115           HB2      ARG 115  12.095   4.331   4.331
  878   2HB   ARG 115           HB1      ARG 115  12.892   5.240   5.240
  879   1HG   ARG 115           HG2      ARG 115  12.844   7.061   7.061
  880   2HG   ARG 115           HG1      ARG 115  13.937   6.236   6.236
  881   1HD   ARG 115           HD2      ARG 115  11.518   5.068   5.068
  882   2HD   ARG 115           HD1      ARG 115  11.048   6.741   6.741
  883    HE   ARG 115           HE       ARG 115  12.928   5.900   5.900
  884   1HH1  ARG 115          HH21      ARG 115  14.426   8.047   8.047
  885   2HH1  ARG 115          HH22      ARG 115  13.506   9.456   9.456
  886   1HH2  ARG 115          HH11      ARG 115  10.440   7.865   7.865
  887   2HH2  ARG 115          HH12      ARG 115  11.251   9.353   9.353
  888    H    THR 116           HN       THR 116  15.542   2.732   2.732
  889    HA   THR 116           HA       THR 116  17.124   5.111   5.111
  890    HB   THR 116           HB       THR 116  17.115   3.658   3.658
  891    HG1  THR 116           HG1      THR 116  15.549   2.174   2.174
  892   1HG2  THR 116          HG21      THR 116  15.846   5.850   5.850
  893   2HG2  THR 116          HG23      THR 116  14.441   4.800   4.800
  894   3HG2  THR 116          HG22      THR 116  15.270   4.892   4.892
  895    H    GLY 117           HN       GLY 117  17.302   1.561   1.561
  896   1HA   GLY 117           HA1      GLY 117  19.134   0.387   0.387
  897   2HA   GLY 117           HA2      GLY 117  20.167   1.730   1.730
  898    HA   PRO 118           HA       PRO 118  20.064  -1.734  -1.734
  899   1HB   PRO 118           HB2      PRO 118  22.495  -2.883  -2.883
  900   2HB   PRO 118           HB1      PRO 118  20.989  -3.437  -3.437
  901   1HG   PRO 118           HG2      PRO 118  23.143  -1.698  -1.698
  902   2HG   PRO 118           HG1      PRO 118  22.198  -2.964  -2.964
  903   1HD   PRO 118           HD2      PRO 118  21.705  -0.299  -0.299
  904   2HD   PRO 118           HD1      PRO 118  20.456  -1.554  -1.554
  905    H    ALA 119           HN       ALA 119  22.384   0.608   0.608
  906    HA   ALA 119           HA       ALA 119  24.052   0.621   0.621
  907   1HB   ALA 119           HB3      ALA 119  23.857   1.904   1.904
  908   2HB   ALA 119           HB2      ALA 119  24.341   3.044   3.044
  909   3HB   ALA 119           HB1      ALA 119  25.288   1.582   1.582
  910    H    ALA 120           HN       ALA 120  23.891   2.023   2.023
  911    HA   ALA 120           HA       ALA 120  22.818   3.452   3.452
  912   1HB   ALA 120           HB2      ALA 120  23.304   4.773   4.773
  913   2HB   ALA 120           HB1      ALA 120  21.556   4.977   4.977
  914   3HB   ALA 120           HB3      ALA 120  22.603   5.545   5.545

  Start of MODEL   40
    1   1H    ASP   1           HT3      ASP   1  -8.837  12.016  12.016
    2   2H    ASP   1           HT2      ASP   1 -10.523  12.066  12.066
    3   3H    ASP   1           HT1      ASP   1  -9.753  10.601  10.601
    4    HA   ASP   1           HA       ASP   1 -10.212  10.456  10.456
    5   1HB   ASP   1           HB1      ASP   1  -8.902  13.161  13.161
    6   2HB   ASP   1           HB2      ASP   1 -10.616  13.014  13.014
    7    H    ALA   2           HN       ALA   2  -7.869   9.979   9.979
    8    HA   ALA   2           HA       ALA   2  -5.439  10.404  10.404
    9   1HB   ALA   2           HB1      ALA   2  -6.329   9.021   9.021
   10   2HB   ALA   2           HB3      ALA   2  -4.797   8.499   8.499
   11   3HB   ALA   2           HB2      ALA   2  -5.022  10.183  10.183
   12    HA   PRO   3           HA       PRO   3  -5.958   6.902   6.902
   13   1HB   PRO   3           HB2      PRO   3  -3.381   6.679   6.679
   14   2HB   PRO   3           HB1      PRO   3  -4.494   7.940   7.940
   15   1HG   PRO   3           HG2      PRO   3  -2.283   8.098   8.098
   16   2HG   PRO   3           HG1      PRO   3  -2.822   9.294   9.294
   17   1HD   PRO   3           HD2      PRO   3  -3.425   9.393   9.393
   18   2HD   PRO   3           HD1      PRO   3  -4.389  10.166  10.166
   19    H    GLU   4           HN       GLU   4  -6.299   5.016   5.016
   20    HA   GLU   4           HA       GLU   4  -4.503   3.964   3.964
   21   1HB   GLU   4           HB1      GLU   4  -7.066   3.412   3.412
   22   2HB   GLU   4           HB2      GLU   4  -6.140   1.915   1.915
   23   1HG   GLU   4           HG2      GLU   4  -5.831   3.481   3.481
   24   2HG   GLU   4           HG1      GLU   4  -7.540   3.204   3.204
   25    H    GLU   5           HN       GLU   5  -3.405   1.793   1.793
   26    HA   GLU   5           HA       GLU   5  -2.658   1.030   1.030
   27   1HB   GLU   5           HB2      GLU   5  -0.210   1.196   1.196
   28   2HB   GLU   5           HB1      GLU   5  -1.037   2.725   2.725
   29   1HG   GLU   5           HG1      GLU   5  -1.276   1.708   1.708
   30   2HG   GLU   5           HG2      GLU   5   0.391   2.023   2.023
   31    H    GLU   6           HN       GLU   6  -1.014  -0.868  -0.868
   32    HA   GLU   6           HA       GLU   6  -1.449  -2.544  -2.544
   33   1HB   GLU   6           HB1      GLU   6  -2.518  -2.877  -2.877
   34   2HB   GLU   6           HB2      GLU   6  -1.937  -4.331  -4.331
   35   1HG   GLU   6           HG2      GLU   6  -3.392  -3.016  -3.016
   36   2HG   GLU   6           HG1      GLU   6  -4.345  -2.763  -2.763
   37    H    ASP   7           HN       ASP   7   0.394  -3.772  -3.772
   38    HA   ASP   7           HA       ASP   7   2.615  -4.557  -4.557
   39   1HB   ASP   7           HB2      ASP   7   1.576  -4.799  -4.799
   40   2HB   ASP   7           HB1      ASP   7   2.947  -5.685  -5.685
   41    H    HIS   8           HN       HIS   8   3.981  -4.156  -4.156
   42    HA   HIS   8           HA       HIS   8   4.955  -1.416  -1.416
   43   1HB   HIS   8           HB1      HIS   8   5.819  -3.717  -3.717
   44   2HB   HIS   8           HB2      HIS   8   6.636  -2.154  -2.154
   45    HD1  HIS   8           HD1      HIS   8   6.327  -1.662  -1.662
   46    HD2  HIS   8           HD2      HIS   8   7.900  -5.088  -5.088
   47    HE1  HIS   8           HE1      HIS   8   7.809  -2.758  -2.758
   48    H    VAL   9           HN       VAL   9   2.254  -1.910  -1.910
   49    HA   VAL   9           HA       VAL   9   2.667  -0.292  -0.292
   50    HB   VAL   9           HB       VAL   9   1.004  -2.796  -2.796
   51   1HG1  VAL   9          HG12      VAL   9   1.089  -0.883  -0.883
   52   2HG1  VAL   9          HG11      VAL   9   0.337  -2.476  -2.476
   53   3HG1  VAL   9          HG13      VAL   9  -0.304  -1.225  -1.225
   54   1HG2  VAL   9          HG22      VAL   9   3.638  -2.259  -2.259
   55   2HG2  VAL   9          HG21      VAL   9   2.822  -3.811  -3.811
   56   3HG2  VAL   9          HG23      VAL   9   2.617  -2.875  -2.875
   57    H    LEU  10           HN       LEU  10   0.469   0.702   0.702
   58    HA   LEU  10           HA       LEU  10  -1.121   1.347   1.347
   59   1HB   LEU  10           HB2      LEU  10  -1.351   3.594   3.594
   60   2HB   LEU  10           HB1      LEU  10   0.349   3.161   3.161
   61    HG   LEU  10           HG       LEU  10  -0.476   2.163   2.163
   62   1HD1  LEU  10          HD22      LEU  10  -1.416   4.977   4.977
   63   2HD1  LEU  10          HD21      LEU  10  -1.095   4.413   4.413
   64   3HD1  LEU  10          HD23      LEU  10  -2.354   3.644   3.644
   65   1HD2  LEU  10          HD13      LEU  10   1.202   4.562   4.562
   66   2HD2  LEU  10          HD12      LEU  10   1.781   2.912   2.912
   67   3HD2  LEU  10          HD11      LEU  10   1.186   3.835   3.835
   68    H    VAL  11           HN       VAL  11  -3.384   2.142   2.142
   69    HA   VAL  11           HA       VAL  11  -4.441   0.671   0.671
   70    HB   VAL  11           HB       VAL  11  -4.969  -0.492  -0.492
   71   1HG1  VAL  11          HG21      VAL  11  -5.426   2.277   2.277
   72   2HG1  VAL  11          HG23      VAL  11  -6.601   1.096   1.096
   73   3HG1  VAL  11          HG22      VAL  11  -4.882   0.861   0.861
   74   1HG2  VAL  11          HG11      VAL  11  -7.344   1.115   1.115
   75   2HG2  VAL  11          HG13      VAL  11  -6.757  -0.396  -0.396
   76   3HG2  VAL  11          HG12      VAL  11  -7.443  -0.380  -0.380
   77    H    LEU  12           HN       LEU  12  -6.069   1.772   1.772
   78    HA   LEU  12           HA       LEU  12  -6.312   4.673   4.673
   79   1HB   LEU  12           HB2      LEU  12  -6.873   2.943   2.943
   80   2HB   LEU  12           HB1      LEU  12  -7.206   4.673   4.673
   81    HG   LEU  12           HG       LEU  12  -4.500   3.354   3.354
   82   1HD1  LEU  12          HD23      LEU  12  -5.785   3.842   3.842
   83   2HD1  LEU  12          HD22      LEU  12  -4.976   5.390   5.390
   84   3HD1  LEU  12          HD21      LEU  12  -4.032   3.902   3.902
   85   1HD2  LEU  12          HD12      LEU  12  -5.538   6.064   6.064
   86   2HD2  LEU  12          HD11      LEU  12  -4.143   5.221   5.221
   87   3HD2  LEU  12          HD13      LEU  12  -4.018   6.021   6.021
   88    H    ARG  13           HN       ARG  13  -8.549   5.630   5.630
   89    HA   ARG  13           HA       ARG  13 -10.683   3.788   3.788
   90   1HB   ARG  13           HB1      ARG  13 -10.116   6.725   6.725
   91   2HB   ARG  13           HB2      ARG  13 -11.519   5.868   5.868
   92   1HG   ARG  13           HG2      ARG  13  -9.262   4.283   4.283
   93   2HG   ARG  13           HG1      ARG  13  -8.847   5.944   5.944
   94   1HD   ARG  13           HD1      ARG  13 -11.056   6.100   6.100
   95   2HD   ARG  13           HD2      ARG  13 -11.248   4.356   4.356
   96    HE   ARG  13           HE       ARG  13  -8.624   4.972   4.972
   97   1HH1  ARG  13          HH21      ARG  13 -10.832   2.818   2.818
   98   2HH1  ARG  13          HH22      ARG  13 -11.029   3.141   3.141
   99   1HH2  ARG  13          HH11      ARG  13  -9.349   6.173   6.173
  100   2HH2  ARG  13          HH12      ARG  13 -10.189   5.040   5.040
  101    H    LYS  14           HN       LYS  14 -12.131   6.684   6.684
  102    HA   LYS  14           HA       LYS  14 -12.726   6.036   6.036
  103   1HB   LYS  14           HB1      LYS  14 -14.377   6.371   6.371
  104   2HB   LYS  14           HB2      LYS  14 -14.985   7.223   7.223
  105   1HG   LYS  14           HG1      LYS  14 -15.479   5.289   5.289
  106   2HG   LYS  14           HG2      LYS  14 -14.049   4.460   4.460
  107   1HD   LYS  14           HD2      LYS  14 -15.422   3.360   3.360
  108   2HD   LYS  14           HD1      LYS  14 -15.630   4.890   4.890
  109   1HE   LYS  14           HE2      LYS  14 -17.289   4.309   4.309
  110   2HE   LYS  14           HE1      LYS  14 -17.771   3.656   3.656
  111   1HZ   LYS  14           HZ3      LYS  14 -17.518   5.908   5.908
  112   2HZ   LYS  14           HZ2      LYS  14 -17.197   6.505   6.505
  113   3HZ   LYS  14           HZ1      LYS  14 -18.719   5.841   5.841
  114    H    SER  15           HN       SER  15 -11.996   8.505   8.505
  115    HA   SER  15           HA       SER  15 -12.197  10.585  10.585
  116   1HB   SER  15           HB2      SER  15 -13.213  10.409  10.409
  117   2HB   SER  15           HB1      SER  15 -12.547  11.969  11.969
  118    HG   SER  15           HG       SER  15 -14.007  12.112  12.112
  119    H    ASN  16           HN       ASN  16 -10.003   8.872   8.872
  120    HA   ASN  16           HA       ASN  16  -8.207  11.219  11.219
  121   1HB   ASN  16           HB2      ASN  16  -7.070   9.731   9.731
  122   2HB   ASN  16           HB1      ASN  16  -8.799   9.707   9.707
  123   1HD2  ASN  16          HD22      ASN  16  -7.437   6.173   6.173
  124   2HD2  ASN  16          HD21      ASN  16  -6.954   7.537   7.537
  125    H    PHE  17           HN       PHE  17  -8.849   9.273   9.273
  126    HA   PHE  17           HA       PHE  17  -6.453   7.893   7.893
  127   1HB   PHE  17           HB2      PHE  17  -8.700   7.689   7.689
  128   2HB   PHE  17           HB1      PHE  17  -8.491   9.291   9.291
  129    HD1  PHE  17           HD1      PHE  17  -7.259   5.811   5.811
  130    HD2  PHE  17           HD2      PHE  17  -7.006   9.677   9.677
  131    HE1  PHE  17           HE1      PHE  17  -6.007   4.819   4.819
  132    HE2  PHE  17           HE2      PHE  17  -5.748   8.684   8.684
  133    HZ   PHE  17           HZ       PHE  17  -5.227   6.285   6.285
  134    H    ALA  18           HN       ALA  18  -7.596  11.044  11.044
  135    HA   ALA  18           HA       ALA  18  -5.247  11.833  11.833
  136   1HB   ALA  18           HB1      ALA  18  -7.645  13.106  13.106
  137   2HB   ALA  18           HB3      ALA  18  -6.294  14.185  14.185
  138   3HB   ALA  18           HB2      ALA  18  -7.017  13.230  13.230
  139    H    GLU  19           HN       GLU  19  -5.876  11.685  11.685
  140    HA   GLU  19           HA       GLU  19  -3.852  13.588  13.588
  141   1HB   GLU  19           HB1      GLU  19  -5.877  12.823  12.823
  142   2HB   GLU  19           HB2      GLU  19  -5.110  11.247  11.247
  143   1HG   GLU  19           HG2      GLU  19  -3.812  11.991  11.991
  144   2HG   GLU  19           HG1      GLU  19  -3.288  13.386  13.386
  145    H    ALA  20           HN       ALA  20  -3.980  10.022  10.022
  146    HA   ALA  20           HA       ALA  20  -1.284   9.581   9.581
  147   1HB   ALA  20           HB3      ALA  20  -3.579   8.110   8.110
  148   2HB   ALA  20           HB2      ALA  20  -2.404   7.576   7.576
  149   3HB   ALA  20           HB1      ALA  20  -2.031   7.442   7.442
  150    H    LEU  21           HN       LEU  21  -2.772   9.928   9.928
  151    HA   LEU  21           HA       LEU  21  -0.440   9.297   9.297
  152   1HB   LEU  21           HB2      LEU  21  -3.147  10.216  10.216
  153   2HB   LEU  21           HB1      LEU  21  -2.077  11.202  11.202
  154    HG   LEU  21           HG       LEU  21  -1.030   8.791   8.791
  155   1HD1  LEU  21          HD12      LEU  21  -3.923   8.304   8.304
  156   2HD1  LEU  21          HD11      LEU  21  -3.002   7.215   7.215
  157   3HD1  LEU  21          HD13      LEU  21  -2.497   7.481   7.481
  158   1HD2  LEU  21          HD23      LEU  21  -2.901  10.598  10.598
  159   2HD2  LEU  21          HD22      LEU  21  -1.684   9.574   9.574
  160   3HD2  LEU  21          HD21      LEU  21  -3.298   8.938   8.938
  161    H    ALA  22           HN       ALA  22  -1.826  12.424  12.424
  162    HA   ALA  22           HA       ALA  22   0.585  13.870  13.870
  163   1HB   ALA  22           HB3      ALA  22  -2.113  14.420  14.420
  164   2HB   ALA  22           HB2      ALA  22  -1.451  15.265  15.265
  165   3HB   ALA  22           HB1      ALA  22  -0.855  15.637  15.637
  166    H    ALA  23           HN       ALA  23   0.194  11.937  11.937
  167    HA   ALA  23           HA       ALA  23   1.300  13.810  13.810
  168   1HB   ALA  23           HB2      ALA  23   0.061  11.040  11.040
  169   2HB   ALA  23           HB1      ALA  23   0.728  11.845  11.845
  170   3HB   ALA  23           HB3      ALA  23  -0.659  12.542  12.542
  171    H    HIS  24           HN       HIS  24   2.046  11.001  11.001
  172    HA   HIS  24           HA       HIS  24   4.839  11.043  11.043
  173   1HB   HIS  24           HB2      HIS  24   3.139   8.625   8.625
  174   2HB   HIS  24           HB1      HIS  24   4.793   8.579   8.579
  175    HD1  HIS  24           HD1      HIS  24   1.264   9.016   9.016
  176    HD2  HIS  24           HD2      HIS  24   5.058   9.402   9.402
  177    HE1  HIS  24           HE1      HIS  24   0.924   9.162   9.162
  178    H    LYS  25           HN       LYS  25   6.404  10.975  10.975
  179    HA   LYS  25           HA       LYS  25   5.821  11.566  11.566
  180   1HB   LYS  25           HB1      LYS  25   8.076  10.874  10.874
  181   2HB   LYS  25           HB2      LYS  25   8.246  10.105  10.105
  182   1HG   LYS  25           HG2      LYS  25   8.666  12.081  12.081
  183   2HG   LYS  25           HG1      LYS  25   7.285  12.851  12.851
  184   1HD   LYS  25           HD2      LYS  25   8.795  14.011  14.011
  185   2HD   LYS  25           HD1      LYS  25   9.111  12.500  12.500
  186   1HE   LYS  25           HE2      LYS  25  10.981  11.980  11.980
  187   2HE   LYS  25           HE1      LYS  25  10.525  13.203  13.203
  188   1HZ   LYS  25           HZ3      LYS  25  11.231  13.783  13.783
  189   2HZ   LYS  25           HZ2      LYS  25  12.281  13.995  13.995
  190   3HZ   LYS  25           HZ1      LYS  25  10.864  14.927  14.927
  191    H    TYR  26           HN       TYR  26   7.320   8.442   8.442
  192    HA   TYR  26           HA       TYR  26   5.926   7.153   7.153
  193   1HB   TYR  26           HB2      TYR  26   7.858   6.028   6.028
  194   2HB   TYR  26           HB1      TYR  26   7.463   5.329   5.329
  195    HD1  TYR  26           HD2      TYR  26   7.497   7.596   7.596
  196    HD2  TYR  26           HD1      TYR  26  10.100   6.705   6.705
  197    HE1  TYR  26           HE2      TYR  26   9.294   8.943   8.943
  198    HE2  TYR  26           HE1      TYR  26  11.899   8.050   8.050
  199    HH   TYR  26           HH       TYR  26  12.500   8.784   8.784
  200    H    LEU  27           HN       LEU  27   3.821   6.531   6.531
  201    HA   LEU  27           HA       LEU  27   3.412   5.081   5.081
  202   1HB   LEU  27           HB1      LEU  27   2.451   7.477   7.477
  203   2HB   LEU  27           HB2      LEU  27   1.284   6.677   6.677
  204    HG   LEU  27           HG       LEU  27   0.826   5.079   5.079
  205   1HD1  LEU  27          HD13      LEU  27   3.067   6.058   6.058
  206   2HD1  LEU  27          HD12      LEU  27   1.903   7.163   7.163
  207   3HD1  LEU  27          HD11      LEU  27   1.742   5.423   5.423
  208   1HD2  LEU  27          HD23      LEU  27  -0.035   7.794   7.794
  209   2HD2  LEU  27          HD22      LEU  27  -0.971   6.422   6.422
  210   3HD2  LEU  27          HD21      LEU  27  -0.075   7.430   7.430
  211    H    LEU  28           HN       LEU  28   2.684   3.040   3.040
  212    HA   LEU  28           HA       LEU  28   1.678   2.213   2.213
  213   1HB   LEU  28           HB1      LEU  28   3.542   1.209   1.209
  214   2HB   LEU  28           HB2      LEU  28   2.146   0.155   0.155
  215    HG   LEU  28           HG       LEU  28   3.751  -0.651  -0.651
  216   1HD1  LEU  28          HD22      LEU  28   0.934  -0.427  -0.427
  217   2HD1  LEU  28          HD21      LEU  28   1.523  -0.115  -0.115
  218   3HD1  LEU  28          HD23      LEU  28   1.950  -1.617  -1.617
  219   1HD2  LEU  28          HD11      LEU  28   3.760   2.045   2.045
  220   2HD2  LEU  28          HD13      LEU  28   4.513   0.712   0.712
  221   3HD2  LEU  28          HD12      LEU  28   2.877   1.230   1.230
  222    H    VAL  29           HN       VAL  29  -0.334   1.073   1.073
  223    HA   VAL  29           HA       VAL  29  -1.955   0.705   0.705
  224    HB   VAL  29           HB       VAL  29  -2.254   3.065   3.065
  225   1HG1  VAL  29          HG11      VAL  29  -1.573   2.743   2.743
  226   2HG1  VAL  29          HG13      VAL  29  -3.202   2.138   2.138
  227   3HG1  VAL  29          HG12      VAL  29  -2.965   3.800   3.800
  228   1HG2  VAL  29          HG21      VAL  29  -4.241   1.622   1.622
  229   2HG2  VAL  29          HG23      VAL  29  -4.646   3.109   3.109
  230   3HG2  VAL  29          HG22      VAL  29  -4.675   1.565   1.565
  231    H    GLU  30           HN       GLU  30  -3.223  -1.092  -1.092
  232    HA   GLU  30           HA       GLU  30  -3.786  -1.964  -1.964
  233   1HB   GLU  30           HB2      GLU  30  -2.050  -3.314  -3.314
  234   2HB   GLU  30           HB1      GLU  30  -3.081  -3.563  -3.563
  235   1HG   GLU  30           HG1      GLU  30  -4.776  -4.521  -4.521
  236   2HG   GLU  30           HG2      GLU  30  -3.320  -4.731  -4.731
  237    H    PHE  31           HN       PHE  31  -5.864  -2.904  -2.904
  238    HA   PHE  31           HA       PHE  31  -7.844  -2.353  -2.353
  239   1HB   PHE  31           HB2      PHE  31  -7.959  -2.577  -2.577
  240   2HB   PHE  31           HB1      PHE  31  -9.403  -2.446  -2.446
  241    HD1  PHE  31           HD2      PHE  31  -6.083  -0.778  -0.778
  242    HD2  PHE  31           HD1      PHE  31 -10.227  -0.322  -0.322
  243    HE1  PHE  31           HE2      PHE  31  -5.786   1.682   1.682
  244    HE2  PHE  31           HE1      PHE  31  -9.930   2.137   2.137
  245    HZ   PHE  31           HZ       PHE  31  -7.705   3.139   3.139
  246    H    TYR  32           HN       TYR  32  -8.531  -4.175  -4.175
  247    HA   TYR  32           HA       TYR  32  -9.022  -6.650  -6.650
  248   1HB   TYR  32           HB2      TYR  32  -7.641  -7.972  -7.972
  249   2HB   TYR  32           HB1      TYR  32  -6.678  -6.562  -6.562
  250    HD1  TYR  32           HD2      TYR  32  -6.236  -4.780  -4.780
  251    HD2  TYR  32           HD1      TYR  32  -8.534  -8.258  -8.258
  252    HE1  TYR  32           HE2      TYR  32  -6.003  -4.222  -4.222
  253    HE2  TYR  32           HE1      TYR  32  -8.302  -7.700  -7.700
  254    HH   TYR  32           HH       TYR  32  -6.630  -6.377  -6.377
  255    H    ALA  33           HN       ALA  33 -10.294  -8.264  -8.264
  256    HA   ALA  33           HA       ALA  33 -11.889  -6.924  -6.924
  257   1HB   ALA  33           HB1      ALA  33 -12.727  -7.321  -7.321
  258   2HB   ALA  33           HB3      ALA  33 -13.326  -8.775  -8.775
  259   3HB   ALA  33           HB2      ALA  33 -13.809  -7.184  -7.184
  260    HA   PRO  34           HA       PRO  34 -11.382 -10.715 -10.715
  261   1HB   PRO  34           HB2      PRO  34 -13.826 -11.042 -11.042
  262   2HB   PRO  34           HB1      PRO  34 -12.636  -9.840  -9.840
  263   1HG   PRO  34           HG2      PRO  34 -15.046  -9.491  -9.491
  264   2HG   PRO  34           HG1      PRO  34 -14.436  -8.454  -8.454
  265   1HD   PRO  34           HD2      PRO  34 -14.039  -7.883  -7.883
  266   2HD   PRO  34           HD1      PRO  34 -12.869  -7.449  -7.449
  267    H    TRP  35           HN       TRP  35 -14.040 -10.368 -10.368
  268    HA   TRP  35           HA       TRP  35 -14.519 -13.290 -13.290
  269   1HB   TRP  35           HB2      TRP  35 -16.325 -12.575 -12.575
  270   2HB   TRP  35           HB1      TRP  35 -16.393 -11.698 -11.698
  271    HD1  TRP  35           HD1      TRP  35 -16.095  -9.135  -9.135
  272    HE1  TRP  35           HE1      TRP  35 -15.750  -7.405  -7.405
  273    HE3  TRP  35           HE3      TRP  35 -15.140 -12.269 -12.269
  274    HZ2  TRP  35           HZ2      TRP  35 -15.150  -7.357  -7.357
  275    HZ3  TRP  35           HZ3      TRP  35 -14.687 -11.355 -11.355
  276    HH2  TRP  35           HH2      TRP  35 -14.690  -8.905  -8.905
  277    H    CYS  36           HN       CYS  36 -12.345 -11.106 -11.106
  278    HA   CYS  36           HA       CYS  36 -12.220 -11.688 -11.688
  279   1HB   CYS  36           HB2      CYS  36 -10.783 -10.098 -10.098
  280   2HB   CYS  36           HB1      CYS  36 -10.021 -11.410 -11.410
  281    H    GLY  37           HN       GLY  37 -10.271 -13.433 -13.433
  282   1HA   GLY  37           HA2      GLY  37 -10.531 -15.955 -15.955
  283   2HA   GLY  37           HA1      GLY  37 -10.489 -15.859 -15.859
  284    H    HIS  38           HN       HIS  38  -8.445 -14.871 -14.871
  285    HA   HIS  38           HA       HIS  38  -6.102 -16.008 -16.008
  286   1HB   HIS  38           HB2      HIS  38  -7.018 -15.876 -15.876
  287   2HB   HIS  38           HB1      HIS  38  -5.674 -14.735 -14.735
  288    HD1  HIS  38           HD1      HIS  38  -5.449 -17.474 -17.474
  289    HD2  HIS  38           HD2      HIS  38  -4.156 -16.808 -16.808
  290    HE1  HIS  38           HE1      HIS  38  -3.702 -19.242 -19.242
  291    H    CYS  39           HN       CYS  39  -7.550 -13.218 -13.218
  292    HA   CYS  39           HA       CYS  39  -5.386 -11.314 -11.314
  293   1HB   CYS  39           HB2      CYS  39  -8.110 -11.298 -11.298
  294   2HB   CYS  39           HB1      CYS  39  -7.043  -9.908  -9.908
  295    H    LYS  40           HN       LYS  40  -6.217 -13.508 -13.508
  296    HA   LYS  40           HA       LYS  40  -4.905 -12.011 -12.011
  297   1HB   LYS  40           HB2      LYS  40  -5.480 -13.997 -13.997
  298   2HB   LYS  40           HB1      LYS  40  -6.845 -13.576 -13.576
  299   1HG   LYS  40           HG1      LYS  40  -5.700 -15.228 -15.228
  300   2HG   LYS  40           HG2      LYS  40  -4.914 -15.861 -15.861
  301   1HD   LYS  40           HD2      LYS  40  -7.763 -15.428 -15.428
  302   2HD   LYS  40           HD1      LYS  40  -7.467 -16.530 -16.530
  303   1HE   LYS  40           HE2      LYS  40  -5.637 -17.410 -17.410
  304   2HE   LYS  40           HE1      LYS  40  -7.029 -16.956 -16.956
  305   1HZ   LYS  40           HZ2      LYS  40  -8.469 -18.187 -18.187
  306   2HZ   LYS  40           HZ1      LYS  40  -7.127 -18.654 -18.654
  307   3HZ   LYS  40           HZ3      LYS  40  -7.287 -19.209 -19.209
  308    H    ALA  41           HN       ALA  41  -3.938 -14.293 -14.293
  309    HA   ALA  41           HA       ALA  41  -1.600 -15.360 -15.360
  310   1HB   ALA  41           HB2      ALA  41  -2.614 -15.143 -15.143
  311   2HB   ALA  41           HB1      ALA  41  -1.047 -15.872 -15.872
  312   3HB   ALA  41           HB3      ALA  41  -2.516 -16.578 -16.578
  313    H    LEU  42           HN       LEU  42  -2.264 -12.338 -12.338
  314    HA   LEU  42           HA       LEU  42   0.648 -11.772 -11.772
  315   1HB   LEU  42           HB2      LEU  42  -1.138 -11.443 -11.443
  316   2HB   LEU  42           HB1      LEU  42  -1.729 -10.097 -10.097
  317    HG   LEU  42           HG       LEU  42   0.770  -9.320  -9.320
  318   1HD1  LEU  42          HD13      LEU  42   1.382 -11.572 -11.572
  319   2HD1  LEU  42          HD12      LEU  42   0.746 -10.837 -10.837
  320   3HD1  LEU  42          HD11      LEU  42   2.116 -10.102 -10.102
  321   1HD2  LEU  42          HD21      LEU  42  -1.355  -9.089  -9.089
  322   2HD2  LEU  42          HD23      LEU  42  -0.589  -7.830  -7.830
  323   3HD2  LEU  42          HD22      LEU  42   0.245  -8.491  -8.491
  324    H    ALA  43           HN       ALA  43  -2.011 -11.110 -11.110
  325    HA   ALA  43           HA       ALA  43  -1.517  -8.509  -8.509
  326   1HB   ALA  43           HB3      ALA  43  -3.028 -10.765 -10.765
  327   2HB   ALA  43           HB2      ALA  43  -2.080 -10.404 -10.404
  328   3HB   ALA  43           HB1      ALA  43  -3.129  -9.169  -9.169
  329    HA   PRO  44           HA       PRO  44   1.787 -10.160 -10.160
  330   1HB   PRO  44           HB2      PRO  44   2.527 -12.786 -12.786
  331   2HB   PRO  44           HB1      PRO  44   1.161 -12.201 -12.201
  332   1HG   PRO  44           HG2      PRO  44   1.179 -13.687 -13.687
  333   2HG   PRO  44           HG1      PRO  44  -0.040 -13.654 -13.654
  334   1HD   PRO  44           HD1      PRO  44  -0.142 -12.280 -12.280
  335   2HD   PRO  44           HD2      PRO  44  -1.218 -12.052 -12.052
  336    H    GLU  45           HN       GLU  45   1.870 -10.199 -10.199
  337    HA   GLU  45           HA       GLU  45   4.813 -10.740 -10.740
  338   1HB   GLU  45           HB2      GLU  45   2.607 -10.877 -10.877
  339   2HB   GLU  45           HB1      GLU  45   4.319 -11.146 -11.146
  340   1HG   GLU  45           HG2      GLU  45   3.895 -12.831 -12.831
  341   2HG   GLU  45           HG1      GLU  45   2.353 -12.931 -12.931
  342    H    TYR  46           HN       TYR  46   2.104  -8.806  -8.806
  343    HA   TYR  46           HA       TYR  46   3.694  -6.653  -6.653
  344   1HB   TYR  46           HB2      TYR  46   1.455  -7.041  -7.041
  345   2HB   TYR  46           HB1      TYR  46   0.821  -7.070  -7.070
  346    HD1  TYR  46           HD1      TYR  46   0.954  -4.911  -4.911
  347    HD2  TYR  46           HD2      TYR  46   1.517  -5.045  -5.045
  348    HE1  TYR  46           HE1      TYR  46   0.522  -2.474  -2.474
  349    HE2  TYR  46           HE2      TYR  46   1.084  -2.600  -2.600
  350    HH   TYR  46           HH       TYR  46   1.193  -0.576  -0.576
  351    H    ALA  47           HN       ALA  47   2.841  -7.619  -7.619
  352    HA   ALA  47           HA       ALA  47   3.170  -4.863  -4.863
  353   1HB   ALA  47           HB1      ALA  47   2.361  -7.549  -7.549
  354   2HB   ALA  47           HB3      ALA  47   2.596  -6.134  -6.134
  355   3HB   ALA  47           HB2      ALA  47   1.350  -6.121  -6.121
  356    H    LYS  48           HN       LYS  48   5.088  -7.644  -7.644
  357    HA   LYS  48           HA       LYS  48   6.975  -7.119  -7.119
  358   1HB   LYS  48           HB2      LYS  48   7.016  -9.069  -9.069
  359   2HB   LYS  48           HB1      LYS  48   8.038  -9.142  -9.142
  360   1HG   LYS  48           HG2      LYS  48   5.016  -9.348  -9.348
  361   2HG   LYS  48           HG1      LYS  48   6.136 -10.690 -10.690
  362   1HD   LYS  48           HD2      LYS  48   6.956  -8.766  -8.766
  363   2HD   LYS  48           HD1      LYS  48   5.194  -8.708  -8.708
  364   1HE   LYS  48           HE2      LYS  48   5.428 -11.356 -11.356
  365   2HE   LYS  48           HE1      LYS  48   7.033 -10.976 -10.976
  366   1HZ   LYS  48           HZ3      LYS  48   4.563  -9.678  -9.678
  367   2HZ   LYS  48           HZ2      LYS  48   5.160 -11.117 -11.117
  368   3HZ   LYS  48           HZ1      LYS  48   6.095  -9.700  -9.700
  369    H    ALA  49           HN       ALA  49   6.625  -6.437  -6.437
  370    HA   ALA  49           HA       ALA  49   9.283  -5.992  -5.992
  371   1HB   ALA  49           HB3      ALA  49   6.854  -5.741  -5.741
  372   2HB   ALA  49           HB2      ALA  49   7.149  -4.038  -4.038
  373   3HB   ALA  49           HB1      ALA  49   8.261  -4.932  -4.932
  374    H    ALA  50           HN       ALA  50   7.122  -3.861  -3.861
  375    HA   ALA  50           HA       ALA  50   8.759  -1.527  -1.527
  376   1HB   ALA  50           HB3      ALA  50   6.299  -2.288  -2.288
  377   2HB   ALA  50           HB2      ALA  50   7.191  -2.214  -2.214
  378   3HB   ALA  50           HB1      ALA  50   7.090  -0.788  -0.788
  379    H    GLY  51           HN       GLY  51   8.864  -4.500  -4.500
  380   1HA   GLY  51           HA2      GLY  51  10.665  -3.500  -3.500
  381   2HA   GLY  51           HA1      GLY  51  10.338  -5.200  -5.200
  382    H    LYS  52           HN       LYS  52  11.067  -4.685  -4.685
  383    HA   LYS  52           HA       LYS  52  13.860  -5.426  -5.426
  384   1HB   LYS  52           HB2      LYS  52  12.182  -4.503  -4.503
  385   2HB   LYS  52           HB1      LYS  52  13.692  -5.409  -5.409
  386   1HG   LYS  52           HG2      LYS  52  11.751  -6.683  -6.683
  387   2HG   LYS  52           HG1      LYS  52  11.144  -6.514  -6.514
  388   1HD   LYS  52           HD2      LYS  52  13.235  -7.555  -7.555
  389   2HD   LYS  52           HD1      LYS  52  13.783  -7.774  -7.774
  390   1HE   LYS  52           HE2      LYS  52  11.123  -8.827  -8.827
  391   2HE   LYS  52           HE1      LYS  52  12.097  -9.511  -9.511
  392   1HZ   LYS  52           HZ2      LYS  52  13.889  -9.842  -9.842
  393   2HZ   LYS  52           HZ1      LYS  52  12.739  -9.475  -9.475
  394   3HZ   LYS  52           HZ3      LYS  52  12.524 -10.833 -10.833
  395    H    LEU  53           HN       LEU  53  12.221  -2.495  -2.495
  396    HA   LEU  53           HA       LEU  53  14.724  -1.062  -1.062
  397   1HB   LEU  53           HB1      LEU  53  13.190   0.769   0.769
  398   2HB   LEU  53           HB2      LEU  53  12.619  -0.735  -0.735
  399    HG   LEU  53           HG       LEU  53  11.299  -0.905  -0.905
  400   1HD1  LEU  53          HD13      LEU  53  12.156   1.935   1.935
  401   2HD1  LEU  53          HD12      LEU  53  10.483   1.653   1.653
  402   3HD1  LEU  53          HD11      LEU  53  11.803   0.996   0.996
  403   1HD2  LEU  53          HD21      LEU  53  10.529   0.779   0.779
  404   2HD2  LEU  53          HD23      LEU  53  10.199  -0.936  -0.936
  405   3HD2  LEU  53          HD22      LEU  53   9.390   0.269   0.269
  406    H    LYS  54           HN       LYS  54  12.512  -1.486  -1.486
  407    HA   LYS  54           HA       LYS  54  12.911   0.850   0.850
  408   1HB   LYS  54           HB2      LYS  54  11.342  -0.944  -0.944
  409   2HB   LYS  54           HB1      LYS  54  12.678  -2.059  -2.059
  410   1HG   LYS  54           HG2      LYS  54  13.261  -1.071  -1.071
  411   2HG   LYS  54           HG1      LYS  54  12.657   0.514   0.514
  412   1HD   LYS  54           HD2      LYS  54  10.470   0.010   0.010
  413   2HD   LYS  54           HD1      LYS  54  10.689  -1.720  -1.720
  414   1HE   LYS  54           HE2      LYS  54  11.020  -1.991  -1.991
  415   2HE   LYS  54           HE1      LYS  54  12.455  -0.952  -0.952
  416   1HZ   LYS  54           HZ3      LYS  54   9.650   0.015   0.015
  417   2HZ   LYS  54           HZ2      LYS  54  10.772  -0.011  -0.011
  418   3HZ   LYS  54           HZ1      LYS  54  11.038   0.988   0.988
  419    H    ALA  55           HN       ALA  55  15.025  -1.991  -1.991
  420    HA   ALA  55           HA       ALA  55  16.890  -1.304  -1.304
  421   1HB   ALA  55           HB3      ALA  55  16.438  -3.429  -3.429
  422   2HB   ALA  55           HB2      ALA  55  17.768  -2.703  -2.703
  423   3HB   ALA  55           HB1      ALA  55  17.996  -3.168  -3.168
  424    H    GLU  56           HN       GLU  56  16.419  -0.096  -0.096
  425    HA   GLU  56           HA       GLU  56  19.107   1.153   1.153
  426   1HB   GLU  56           HB2      GLU  56  16.737   0.964   0.964
  427   2HB   GLU  56           HB1      GLU  56  18.186   1.892   1.892
  428   1HG   GLU  56           HG2      GLU  56  18.663  -0.870  -0.870
  429   2HG   GLU  56           HG1      GLU  56  17.881  -0.741  -0.741
  430    H    GLY  57           HN       GLY  57  15.736   1.997   1.997
  431   1HA   GLY  57           HA1      GLY  57  15.089   3.963   3.963
  432   2HA   GLY  57           HA2      GLY  57  16.615   4.719   4.719
  433    H    SER  58           HN       SER  58  14.636   3.054   3.054
  434    HA   SER  58           HA       SER  58  14.557   5.312   5.312
  435   1HB   SER  58           HB2      SER  58  13.836   2.547   2.547
  436   2HB   SER  58           HB1      SER  58  12.438   3.449   3.449
  437    HG   SER  58           HG       SER  58  13.596   4.214   4.214
  438    H    GLU  59           HN       GLU  59  12.700   6.624   6.624
  439    HA   GLU  59           HA       GLU  59  10.854   7.079   7.079
  440   1HB   GLU  59           HB1      GLU  59  10.451   9.216   9.216
  441   2HB   GLU  59           HB2      GLU  59  12.171   8.942   8.942
  442   1HG   GLU  59           HG2      GLU  59  12.618   8.760   8.760
  443   2HG   GLU  59           HG1      GLU  59  11.184   7.776   7.776
  444    H    ILE  60           HN       ILE  60  10.421   4.752   4.752
  445    HA   ILE  60           HA       ILE  60   8.028   5.557   5.557
  446    HB   ILE  60           HB       ILE  60   9.506   2.915   2.915
  447   1HG1  ILE  60          HG12      ILE  60   9.700   4.805   4.805
  448   2HG1  ILE  60          HG11      ILE  60  10.729   5.064   5.064
  449   1HG2  ILE  60          HG22      ILE  60   7.338   3.989   3.989
  450   2HG2  ILE  60          HG21      ILE  60   8.376   2.658   2.658
  451   3HG2  ILE  60          HG23      ILE  60   7.355   2.485   2.485
  452   1HD1  ILE  60          HD12      ILE  60  10.630   2.267   2.267
  453   2HD1  ILE  60          HD11      ILE  60  11.336   3.382   3.382
  454   3HD1  ILE  60          HD13      ILE  60  12.020   3.253   3.253
  455    H    ARG  61           HN       ARG  61   6.130   4.019   4.019
  456    HA   ARG  61           HA       ARG  61   5.866   2.528   2.528
  457   1HB   ARG  61           HB2      ARG  61   5.021   5.299   5.299
  458   2HB   ARG  61           HB1      ARG  61   3.681   4.260   4.260
  459   1HG   ARG  61           HG1      ARG  61   4.780   3.577   3.577
  460   2HG   ARG  61           HG2      ARG  61   6.339   4.182   4.182
  461   1HD   ARG  61           HD2      ARG  61   5.639   6.471   6.471
  462   2HD   ARG  61           HD1      ARG  61   3.950   5.987   5.987
  463    HE   ARG  61           HE       ARG  61   4.516   5.282   5.282
  464   1HH1  ARG  61          HH21      ARG  61   6.573   3.737   3.737
  465   2HH1  ARG  61          HH22      ARG  61   7.984   4.704   4.704
  466   1HH2  ARG  61          HH11      ARG  61   6.642   7.549   7.549
  467   2HH2  ARG  61          HH12      ARG  61   8.023   6.862   6.862
  468    H    LEU  62           HN       LEU  62   4.220   0.976   0.976
  469    HA   LEU  62           HA       LEU  62   2.769   0.920   0.920
  470   1HB   LEU  62           HB2      LEU  62   3.121  -1.249  -1.249
  471   2HB   LEU  62           HB1      LEU  62   2.549  -1.463  -1.463
  472    HG   LEU  62           HG       LEU  62   4.784  -2.158  -2.158
  473   1HD1  LEU  62          HD12      LEU  62   4.780   0.787   0.787
  474   2HD1  LEU  62          HD11      LEU  62   6.042  -0.349  -0.349
  475   3HD1  LEU  62          HD13      LEU  62   4.396  -0.561  -0.561
  476   1HD2  LEU  62          HD21      LEU  62   5.127  -0.952  -0.952
  477   2HD2  LEU  62          HD23      LEU  62   6.486  -1.453  -1.453
  478   3HD2  LEU  62          HD22      LEU  62   5.951   0.227   0.227
  479    H    ALA  63           HN       ALA  63   0.465   0.215   0.215
  480    HA   ALA  63           HA       ALA  63  -0.895   0.601   0.601
  481   1HB   ALA  63           HB3      ALA  63  -0.538   2.765   2.765
  482   2HB   ALA  63           HB2      ALA  63  -1.835   2.107   2.107
  483   3HB   ALA  63           HB1      ALA  63  -2.126   2.466   2.466
  484    H    LYS  64           HN       LYS  64  -3.170  -0.135  -0.135
  485    HA   LYS  64           HA       LYS  64  -3.778  -1.890  -1.890
  486   1HB   LYS  64           HB1      LYS  64  -3.103  -2.593  -2.593
  487   2HB   LYS  64           HB2      LYS  64  -4.818  -2.948  -2.948
  488   1HG   LYS  64           HG2      LYS  64  -4.139  -4.864  -4.864
  489   2HG   LYS  64           HG1      LYS  64  -3.695  -3.851  -3.851
  490   1HD   LYS  64           HD2      LYS  64  -1.770  -5.199  -5.199
  491   2HD   LYS  64           HD1      LYS  64  -1.440  -3.520  -3.520
  492   1HE   LYS  64           HE2      LYS  64  -1.032  -4.219  -4.219
  493   2HE   LYS  64           HE1      LYS  64  -2.745  -4.666  -4.666
  494   1HZ   LYS  64           HZ3      LYS  64  -2.151  -6.748  -6.748
  495   2HZ   LYS  64           HZ2      LYS  64  -0.512  -6.330  -6.330
  496   3HZ   LYS  64           HZ1      LYS  64  -1.462  -6.637  -6.637
  497    H    VAL  65           HN       VAL  65  -6.086  -2.235  -2.235
  498    HA   VAL  65           HA       VAL  65  -7.877  -0.364  -0.364
  499    HB   VAL  65           HB       VAL  65  -7.646  -0.778  -0.778
  500   1HG1  VAL  65          HG12      VAL  65  -9.986  -0.308  -0.308
  501   2HG1  VAL  65          HG11      VAL  65  -9.360   1.340   1.340
  502   3HG1  VAL  65          HG13      VAL  65  -9.559   0.488   0.488
  503   1HG2  VAL  65          HG23      VAL  65  -6.431   1.067   1.067
  504   2HG2  VAL  65          HG22      VAL  65  -6.115   0.869   0.869
  505   3HG2  VAL  65          HG21      VAL  65  -7.412   1.934   1.934
  506    H    ASP  66           HN       ASP  66  -9.881  -1.234  -1.234
  507    HA   ASP  66           HA       ASP  66 -10.361  -4.056  -4.056
  508   1HB   ASP  66           HB2      ASP  66 -11.729  -2.226  -2.226
  509   2HB   ASP  66           HB1      ASP  66 -11.986  -3.965  -3.965
  510    H    ALA  67           HN       ALA  67 -11.179  -3.781  -3.781
  511    HA   ALA  67           HA       ALA  67 -12.923  -1.872  -1.872
  512   1HB   ALA  67           HB1      ALA  67 -11.777  -4.052  -4.052
  513   2HB   ALA  67           HB3      ALA  67 -13.338  -4.790  -4.790
  514   3HB   ALA  67           HB2      ALA  67 -13.243  -3.434  -3.434
  515    H    THR  68           HN       THR  68 -13.671  -4.439  -4.439
  516    HA   THR  68           HA       THR  68 -16.576  -4.242  -4.242
  517    HB   THR  68           HB       THR  68 -15.480  -6.323  -6.323
  518    HG1  THR  68           HG1      THR  68 -17.301  -6.511  -6.511
  519   1HG2  THR  68          HG21      THR  68 -14.319  -4.554  -4.554
  520   2HG2  THR  68          HG23      THR  68 -14.559  -6.266  -6.266
  521   3HG2  THR  68          HG22      THR  68 -13.523  -5.778  -5.778
  522    H    GLU  69           HN       GLU  69 -14.360  -2.154  -2.154
  523    HA   GLU  69           HA       GLU  69 -16.435  -1.068  -1.068
  524   1HB   GLU  69           HB2      GLU  69 -14.279  -2.447  -2.447
  525   2HB   GLU  69           HB1      GLU  69 -13.550  -0.848  -0.848
  526   1HG   GLU  69           HG2      GLU  69 -15.957  -1.639  -1.639
  527   2HG   GLU  69           HG1      GLU  69 -14.417  -1.000  -1.000
  528    H    GLU  70           HN       GLU  70 -13.294  -0.380  -0.380
  529    HA   GLU  70           HA       GLU  70 -13.948   2.521   2.521
  530   1HB   GLU  70           HB2      GLU  70 -11.534   0.826   0.826
  531   2HB   GLU  70           HB1      GLU  70 -11.577   2.581   2.581
  532   1HG   GLU  70           HG2      GLU  70 -10.927   2.690   2.690
  533   2HG   GLU  70           HG1      GLU  70 -12.531   2.102   2.102
  534    H    SER  71           HN       SER  71 -15.520   0.636   0.636
  535    HA   SER  71           HA       SER  71 -14.730   0.353   0.353
  536   1HB   SER  71           HB2      SER  71 -16.748  -0.618  -0.618
  537   2HB   SER  71           HB1      SER  71 -17.427   0.983   0.983
  538    HG   SER  71           HG       SER  71 -17.441  -0.537  -0.537
  539    H    ASP  72           HN       ASP  72 -16.204   3.186   3.186
  540    HA   ASP  72           HA       ASP  72 -16.727   4.837   4.837
  541   1HB   ASP  72           HB1      ASP  72 -16.661   5.036   5.036
  542   2HB   ASP  72           HB2      ASP  72 -15.358   6.130   6.130
  543    H    LEU  73           HN       LEU  73 -13.632   3.892   3.892
  544    HA   LEU  73           HA       LEU  73 -12.125   5.908   5.908
  545   1HB   LEU  73           HB2      LEU  73 -11.767   4.077   4.077
  546   2HB   LEU  73           HB1      LEU  73 -10.430   3.937   3.937
  547    HG   LEU  73           HG       LEU  73  -9.912   6.277   6.277
  548   1HD1  LEU  73          HD21      LEU  73 -12.586   6.436   6.436
  549   2HD1  LEU  73          HD23      LEU  73 -11.357   7.675   7.675
  550   3HD1  LEU  73          HD22      LEU  73 -11.999   7.384   7.384
  551   1HD2  LEU  73          HD13      LEU  73 -10.027   4.543   4.543
  552   2HD2  LEU  73          HD12      LEU  73  -8.857   5.814   5.814
  553   3HD2  LEU  73          HD11      LEU  73 -10.338   6.194   6.194
  554    H    ALA  74           HN       ALA  74 -12.659   2.390   2.390
  555    HA   ALA  74           HA       ALA  74 -10.887   1.827   1.827
  556   1HB   ALA  74           HB3      ALA  74 -12.153   0.338   0.338
  557   2HB   ALA  74           HB2      ALA  74 -13.410   0.286   0.286
  558   3HB   ALA  74           HB1      ALA  74 -11.794  -0.322  -0.322
  559    H    GLN  75           HN       GLN  75 -14.403   2.477   2.477
  560    HA   GLN  75           HA       GLN  75 -14.983   2.160   2.160
  561   1HB   GLN  75           HB2      GLN  75 -16.887   3.702   3.702
  562   2HB   GLN  75           HB1      GLN  75 -16.677   2.401   2.401
  563   1HG   GLN  75           HG2      GLN  75 -16.598   4.003   4.003
  564   2HG   GLN  75           HG1      GLN  75 -15.011   4.427   4.427
  565   1HE2  GLN  75          HE22      GLN  75 -17.946   7.099   7.099
  566   2HE2  GLN  75          HE21      GLN  75 -17.965   5.786   5.786
  567    H    GLN  76           HN       GLN  76 -13.347   4.737   4.737
  568    HA   GLN  76           HA       GLN  76 -13.623   6.862   6.862
  569   1HB   GLN  76           HB2      GLN  76 -12.328   6.328   6.328
  570   2HB   GLN  76           HB1      GLN  76 -11.003   6.632   6.632
  571   1HG   GLN  76           HG2      GLN  76 -12.666   8.643   8.643
  572   2HG   GLN  76           HG1      GLN  76 -13.115   8.479   8.479
  573   1HE2  GLN  76          HE22      GLN  76 -10.262  10.251  10.251
  574   2HE2  GLN  76          HE21      GLN  76 -11.890   9.848   9.848
  575    H    TYR  77           HN       TYR  77 -11.384   4.115   4.115
  576    HA   TYR  77           HA       TYR  77 -10.050   5.027   5.027
  577   1HB   TYR  77           HB1      TYR  77  -9.559   2.873   2.873
  578   2HB   TYR  77           HB2      TYR  77  -8.583   3.029   3.029
  579    HD1  TYR  77           HD1      TYR  77  -9.512   4.596   4.596
  580    HD2  TYR  77           HD2      TYR  77  -7.070   4.916   4.916
  581    HE1  TYR  77           HE1      TYR  77  -8.168   6.371   6.371
  582    HE2  TYR  77           HE2      TYR  77  -5.726   6.691   6.691
  583    HH   TYR  77           HH       TYR  77  -5.831   7.305   7.305
  584    H    GLY  78           HN       GLY  78 -11.700   2.150   2.150
  585   1HA   GLY  78           HA1      GLY  78 -13.484   1.339   1.339
  586   2HA   GLY  78           HA2      GLY  78 -12.073   1.160   1.160
  587    H    VAL  79           HN       VAL  79 -10.183  -0.010  -0.010
  588    HA   VAL  79           HA       VAL  79  -9.495  -2.140  -2.140
  589    HB   VAL  79           HB       VAL  79 -11.861  -1.577  -1.577
  590   1HG1  VAL  79          HG11      VAL  79 -10.125  -3.792  -3.792
  591   2HG1  VAL  79          HG13      VAL  79  -9.548  -2.824  -2.824
  592   3HG1  VAL  79          HG12      VAL  79 -11.220  -3.385  -3.385
  593   1HG2  VAL  79          HG21      VAL  79 -10.185   0.294   0.294
  594   2HG2  VAL  79          HG23      VAL  79 -10.299  -0.368  -0.368
  595   3HG2  VAL  79          HG22      VAL  79  -8.948  -0.817  -0.817
  596    H    ARG  80           HN       ARG  80 -10.181  -3.307  -3.307
  597    HA   ARG  80           HA       ARG  80 -12.851  -4.624  -4.624
  598   1HB   ARG  80           HB2      ARG  80 -10.896  -3.802  -3.802
  599   2HB   ARG  80           HB1      ARG  80 -11.611  -5.386  -5.386
  600   1HG   ARG  80           HG2      ARG  80 -13.408  -3.126  -3.126
  601   2HG   ARG  80           HG1      ARG  80 -12.818  -3.186  -3.186
  602   1HD   ARG  80           HD2      ARG  80 -14.045  -5.068  -5.068
  603   2HD   ARG  80           HD1      ARG  80 -13.891  -5.732  -5.732
  604    HE   ARG  80           HE       ARG  80 -15.744  -4.383  -4.383
  605   1HH1  ARG  80          HH11      ARG  80 -15.425  -1.767  -1.767
  606   2HH1  ARG  80          HH12      ARG  80 -16.472  -1.648  -1.648
  607   1HH2  ARG  80          HH21      ARG  80 -16.790  -5.077  -5.077
  608   2HH2  ARG  80          HH22      ARG  80 -17.244  -3.520  -3.520
  609    H    GLY  81           HN       GLY  81 -11.283  -5.641  -5.641
  610   1HA   GLY  81           HA2      GLY  81 -11.268  -8.338  -8.338
  611   2HA   GLY  81           HA1      GLY  81  -9.785  -7.972  -7.972
  612    H    TYR  82           HN       TYR  82  -9.589  -9.403  -9.403
  613    HA   TYR  82           HA       TYR  82  -8.229  -7.421  -7.421
  614   1HB   TYR  82           HB2      TYR  82 -10.115  -9.650  -9.650
  615   2HB   TYR  82           HB1      TYR  82  -9.263  -8.562  -8.562
  616    HD1  TYR  82           HD2      TYR  82 -11.844  -8.747  -8.747
  617    HD2  TYR  82           HD1      TYR  82 -10.036  -6.322  -6.322
  618    HE1  TYR  82           HE2      TYR  82 -13.672  -7.086  -7.086
  619    HE2  TYR  82           HE1      TYR  82 -11.862  -4.659  -4.659
  620    HH   TYR  82           HH       TYR  82 -13.561  -4.095  -4.095
  621    HA   PRO  83           HA       PRO  83  -7.186  -7.503  -7.503
  622   1HB   PRO  83           HB1      PRO  83  -4.598  -7.367  -7.367
  623   2HB   PRO  83           HB2      PRO  83  -5.812  -8.408  -8.408
  624   1HG   PRO  83           HG2      PRO  83  -3.541  -9.119  -9.119
  625   2HG   PRO  83           HG1      PRO  83  -4.427 -10.108 -10.108
  626   1HD   PRO  83           HD2      PRO  83  -4.689 -10.087 -10.087
  627   2HD   PRO  83           HD1      PRO  83  -5.614 -11.044 -11.044
  628    H    THR  84           HN       THR  84  -6.917  -5.428  -5.428
  629    HA   THR  84           HA       THR  84  -5.187  -5.094  -5.094
  630    HB   THR  84           HB       THR  84  -6.938  -3.004  -3.004
  631    HG1  THR  84           HG1      THR  84  -7.697  -5.306  -5.306
  632   1HG2  THR  84          HG23      THR  84  -6.209  -3.726  -3.726
  633   2HG2  THR  84          HG22      THR  84  -7.333  -2.442  -2.442
  634   3HG2  THR  84          HG21      THR  84  -5.635  -2.329  -2.329
  635    H    ILE  85           HN       ILE  85  -3.102  -4.375  -4.375
  636    HA   ILE  85           HA       ILE  85  -2.493  -2.825  -2.825
  637    HB   ILE  85           HB       ILE  85  -0.725  -4.226  -4.226
  638   1HG1  ILE  85          HG12      ILE  85  -1.295  -5.124  -5.124
  639   2HG1  ILE  85          HG11      ILE  85  -2.353  -5.598  -5.598
  640   1HG2  ILE  85          HG21      ILE  85  -0.069  -2.270  -2.270
  641   2HG2  ILE  85          HG23      ILE  85   0.353  -3.792  -3.792
  642   3HG2  ILE  85          HG22      ILE  85   1.054  -3.384  -3.384
  643   1HD1  ILE  85          HD13      ILE  85  -0.329  -6.475  -6.475
  644   2HD1  ILE  85          HD12      ILE  85   0.619  -6.144  -6.144
  645   3HD1  ILE  85          HD11      ILE  85  -0.683  -7.332  -7.332
  646    H    LYS  86           HN       LYS  86  -1.999  -0.660  -0.660
  647    HA   LYS  86           HA       LYS  86  -1.274   0.401   0.401
  648   1HB   LYS  86           HB1      LYS  86  -3.033   1.756   1.756
  649   2HB   LYS  86           HB2      LYS  86  -2.747   2.279   2.279
  650   1HG   LYS  86           HG2      LYS  86  -3.671  -0.154  -0.154
  651   2HG   LYS  86           HG1      LYS  86  -4.450   0.035   0.035
  652   1HD   LYS  86           HD2      LYS  86  -5.951   0.866   0.866
  653   2HD   LYS  86           HD1      LYS  86  -5.370   2.229   2.229
  654   1HE   LYS  86           HE2      LYS  86  -4.279   3.145   3.145
  655   2HE   LYS  86           HE1      LYS  86  -3.637   1.574   1.574
  656   1HZ   LYS  86           HZ1      LYS  86  -6.462   2.459   2.459
  657   2HZ   LYS  86           HZ3      LYS  86  -5.309   2.455   2.455
  658   3HZ   LYS  86           HZ2      LYS  86  -5.806   0.989   0.989
  659    H    PHE  87           HN       PHE  87  -0.108   2.511   2.511
  660    HA   PHE  87           HA       PHE  87   1.288   2.912   2.912
  661   1HB   PHE  87           HB1      PHE  87   2.710   1.553   1.553
  662   2HB   PHE  87           HB2      PHE  87   2.455   2.642   2.642
  663    HD1  PHE  87           HD1      PHE  87   3.074   3.575   3.575
  664    HD2  PHE  87           HD2      PHE  87   4.646   3.438   3.438
  665    HE1  PHE  87           HE1      PHE  87   5.015   4.947   4.947
  666    HE2  PHE  87           HE2      PHE  87   6.584   4.809   4.809
  667    HZ   PHE  87           HZ       PHE  87   6.769   5.563   5.563
  668    H    PHE  88           HN       PHE  88   1.409   5.064   5.064
  669    HA   PHE  88           HA       PHE  88   0.788   7.088   7.088
  670   1HB   PHE  88           HB1      PHE  88   0.017   6.814   6.814
  671   2HB   PHE  88           HB2      PHE  88  -0.193   8.314   8.314
  672    HD1  PHE  88           HD2      PHE  88  -1.763   8.443   8.443
  673    HD2  PHE  88           HD1      PHE  88  -1.339   4.860   4.860
  674    HE1  PHE  88           HE2      PHE  88  -3.862   7.557   7.557
  675    HE2  PHE  88           HE1      PHE  88  -3.436   3.972   3.972
  676    HZ   PHE  88           HZ       PHE  88  -4.697   5.321   5.321
  677    H    ARG  89           HN       ARG  89   2.150   8.895   8.895
  678    HA   ARG  89           HA       ARG  89   4.462   8.876   8.876
  679   1HB   ARG  89           HB1      ARG  89   4.727   8.452   8.452
  680   2HB   ARG  89           HB2      ARG  89   4.309  10.151  10.151
  681   1HG   ARG  89           HG2      ARG  89   6.291   9.908   9.908
  682   2HG   ARG  89           HG1      ARG  89   6.852   9.071   9.071
  683   1HD   ARG  89           HD2      ARG  89   5.918  11.293  11.293
  684   2HD   ARG  89           HD1      ARG  89   6.305  11.978  11.978
  685    HE   ARG  89           HE       ARG  89   8.293  10.404  10.404
  686   1HH1  ARG  89          HH11      ARG  89   7.846  12.023  12.023
  687   2HH1  ARG  89          HH12      ARG  89   9.230  13.053  13.053
  688   1HH2  ARG  89          HH21      ARG  89   9.887  12.137  12.137
  689   2HH2  ARG  89          HH22      ARG  89  10.386  13.117  13.117
  690    H    ASN  90           HN       ASN  90   4.158  10.450  10.450
  691    HA   ASN  90           HA       ASN  90   3.587  12.531  12.531
  692   1HB   ASN  90           HB1      ASN  90   5.464  12.999  12.999
  693   2HB   ASN  90           HB2      ASN  90   4.242  13.463  13.463
  694   1HD2  ASN  90          HD22      ASN  90   5.385  16.506  16.506
  695   2HD2  ASN  90          HD21      ASN  90   6.213  15.320  15.320
  696    H    GLY  91           HN       GLY  91   1.320  11.083  11.083
  697   1HA   GLY  91           HA1      GLY  91  -0.913  11.398  11.398
  698   2HA   GLY  91           HA2      GLY  91  -0.717  13.008  13.008
  699    H    ASP  92           HN       ASP  92  -0.211  11.121  11.121
  700    HA   ASP  92           HA       ASP  92   0.231  13.508  13.508
  701   1HB   ASP  92           HB1      ASP  92   1.275  11.304  11.304
  702   2HB   ASP  92           HB2      ASP  92   0.291  11.812  11.812
  703    H    THR  93           HN       THR  93  -2.466  11.373  11.373
  704    HA   THR  93           HA       THR  93  -4.733  11.383  11.383
  705    HB   THR  93           HB       THR  93  -5.537  13.886  13.886
  706    HG1  THR  93           HG1      THR  93  -3.004  14.190  14.190
  707   1HG2  THR  93          HG23      THR  93  -4.801  11.981  11.981
  708   2HG2  THR  93          HG22      THR  93  -4.456  13.606  13.606
  709   3HG2  THR  93          HG21      THR  93  -6.081  13.193  13.193
  710    H    ALA  94           HN       ALA  94  -2.832  11.304  11.304
  711    HA   ALA  94           HA       ALA  94  -4.683  12.114  12.114
  712   1HB   ALA  94           HB2      ALA  94  -2.363  13.716  13.716
  713   2HB   ALA  94           HB1      ALA  94  -2.411  13.391  13.391
  714   3HB   ALA  94           HB3      ALA  94  -3.769  14.198  14.198
  715    H    SER  95           HN       SER  95  -1.173  11.535  11.535
  716    HA   SER  95           HA       SER  95  -1.466   9.289   9.289
  717   1HB   SER  95           HB2      SER  95  -0.155  11.582  11.582
  718   2HB   SER  95           HB1      SER  95   1.114  10.726  10.726
  719    HG   SER  95           HG       SER  95   1.444   9.550   9.550
  720    HA   PRO  96           HA       PRO  96   0.182   7.646   7.646
  721   1HB   PRO  96           HB1      PRO  96  -1.594   5.581   5.581
  722   2HB   PRO  96           HB2      PRO  96  -1.910   7.208   7.208
  723   1HG   PRO  96           HG2      PRO  96  -2.901   5.906   5.906
  724   2HG   PRO  96           HG1      PRO  96  -3.738   7.001   7.001
  725   1HD   PRO  96           HD2      PRO  96  -2.694   7.776   7.776
  726   2HD   PRO  96           HD1      PRO  96  -2.931   8.870   8.870
  727    H    LYS  97           HN       LYS  97   0.926   5.270   5.270
  728    HA   LYS  97           HA       LYS  97   1.853   4.180   4.180
  729   1HB   LYS  97           HB1      LYS  97   2.885   4.292   4.292
  730   2HB   LYS  97           HB2      LYS  97   3.444   2.996   2.996
  731   1HG   LYS  97           HG2      LYS  97   3.447   5.648   5.648
  732   2HG   LYS  97           HG1      LYS  97   4.542   5.520   5.520
  733   1HD   LYS  97           HD2      LYS  97   6.001   4.488   4.488
  734   2HD   LYS  97           HD1      LYS  97   4.887   3.121   3.121
  735   1HE   LYS  97           HE2      LYS  97   4.939   3.558   3.558
  736   2HE   LYS  97           HE1      LYS  97   3.684   4.732   4.732
  737   1HZ   LYS  97           HZ3      LYS  97   6.549   5.415   5.415
  738   2HZ   LYS  97           HZ2      LYS  97   5.724   5.593   5.593
  739   3HZ   LYS  97           HZ1      LYS  97   5.215   6.458   6.458
  740    H    GLU  98           HN       GLU  98   2.334   1.684   1.684
  741    HA   GLU  98           HA       GLU  98   0.084   0.347   0.347
  742   1HB   GLU  98           HB2      GLU  98  -0.339   0.935   0.935
  743   2HB   GLU  98           HB1      GLU  98   0.861  -0.304  -0.304
  744   1HG   GLU  98           HG1      GLU  98  -0.533  -2.009  -2.009
  745   2HG   GLU  98           HG2      GLU  98  -1.211  -1.119  -1.119
  746    H    TYR  99           HN       TYR  99   0.585  -1.818  -1.818
  747    HA   TYR  99           HA       TYR  99   3.478  -2.479  -2.479
  748   1HB   TYR  99           HB2      TYR  99   1.233  -2.769  -2.769
  749   2HB   TYR  99           HB1      TYR  99   1.875  -4.374  -4.374
  750    HD1  TYR  99           HD2      TYR  99   4.558  -4.472  -4.472
  751    HD2  TYR  99           HD1      TYR  99   2.201  -1.572  -1.572
  752    HE1  TYR  99           HE2      TYR  99   6.459  -4.042  -4.042
  753    HE2  TYR  99           HE1      TYR  99   4.113  -1.145  -1.145
  754    HH   TYR  99           HH       TYR  99   6.865  -3.186  -3.186
  755    H    THR 100           HN       THR 100   4.294  -4.152  -4.152
  756    HA   THR 100           HA       THR 100   2.342  -5.999  -5.999
  757    HB   THR 100           HB       THR 100   4.185  -5.864  -5.864
  758    HG1  THR 100           HG1      THR 100   5.690  -4.694  -4.694
  759   1HG2  THR 100          HG23      THR 100   2.313  -3.568  -3.568
  760   2HG2  THR 100          HG22      THR 100   3.079  -3.830  -3.830
  761   3HG2  THR 100          HG21      THR 100   1.926  -5.008  -5.008
  762    H    ALA 101           HN       ALA 101   4.130  -6.227  -6.227
  763    HA   ALA 101           HA       ALA 101   6.250  -8.102  -8.102
  764   1HB   ALA 101           HB3      ALA 101   6.136  -6.407  -6.407
  765   2HB   ALA 101           HB2      ALA 101   5.096  -7.585  -7.585
  766   3HB   ALA 101           HB1      ALA 101   6.754  -8.014  -8.014
  767    H    GLY 102           HN       GLY 102   5.691  -9.838  -9.838
  768   1HA   GLY 102           HA2      GLY 102   3.584 -11.535 -11.535
  769   2HA   GLY 102           HA1      GLY 102   4.932 -12.165 -12.165
  770    H    ARG 103           HN       ARG 103   4.600 -12.489 -12.489
  771    HA   ARG 103           HA       ARG 103   2.500 -10.967 -10.967
  772   1HB   ARG 103           HB2      ARG 103   2.428 -13.939 -13.939
  773   2HB   ARG 103           HB1      ARG 103   1.445 -13.190 -13.190
  774   1HG   ARG 103           HG2      ARG 103   0.580 -11.602 -11.602
  775   2HG   ARG 103           HG1      ARG 103   1.365 -12.651 -12.651
  776   1HD   ARG 103           HD2      ARG 103  -0.378 -13.993 -13.993
  777   2HD   ARG 103           HD1      ARG 103  -1.186 -13.050 -13.050
  778    HE   ARG 103           HE       ARG 103   0.166 -14.386 -14.386
  779   1HH1  ARG 103          HH21      ARG 103  -1.360 -15.744 -15.744
  780   2HH1  ARG 103          HH22      ARG 103  -0.588 -17.290 -17.290
  781   1HH2  ARG 103          HH11      ARG 103   1.660 -16.281 -16.281
  782   2HH2  ARG 103          HH12      ARG 103   1.121 -17.594 -17.594
  783    H    GLU 104           HN       GLU 104   5.032 -10.625 -10.625
  784    HA   GLU 104           HA       GLU 104   5.257 -12.068 -12.068
  785   1HB   GLU 104           HB1      GLU 104   7.228 -12.219 -12.219
  786   2HB   GLU 104           HB2      GLU 104   7.688 -12.601 -12.601
  787   1HG   GLU 104           HG2      GLU 104   5.737 -14.237 -14.237
  788   2HG   GLU 104           HG1      GLU 104   5.601 -13.983 -13.983
  789    H    ALA 105           HN       ALA 105   6.288 -10.776 -10.776
  790    HA   ALA 105           HA       ALA 105   6.443  -8.024  -8.024
  791   1HB   ALA 105           HB1      ALA 105   6.958  -9.889  -9.889
  792   2HB   ALA 105           HB3      ALA 105   8.625  -9.484  -9.484
  793   3HB   ALA 105           HB2      ALA 105   7.535  -8.235  -8.235
  794    H    ASP 106           HN       ASP 106   9.063 -10.267 -10.267
  795    HA   ASP 106           HA       ASP 106  11.046  -8.276  -8.276
  796   1HB   ASP 106           HB2      ASP 106  10.554 -11.117 -11.117
  797   2HB   ASP 106           HB1      ASP 106  11.401 -10.397 -10.397
  798    H    ASP 107           HN       ASP 107   8.508  -9.725  -9.725
  799    HA   ASP 107           HA       ASP 107   9.175  -8.445  -8.445
  800   1HB   ASP 107           HB1      ASP 107   7.014  -9.980  -9.980
  801   2HB   ASP 107           HB2      ASP 107   6.410  -8.784  -8.784
  802    H    ILE 108           HN       ILE 108   7.860  -7.216  -7.216
  803    HA   ILE 108           HA       ILE 108   6.623  -4.848  -4.848
  804    HB   ILE 108           HB       ILE 108   6.919  -5.533  -5.533
  805   1HG1  ILE 108          HG12      ILE 108   5.861  -7.428  -7.428
  806   2HG1  ILE 108          HG11      ILE 108   4.730  -6.628  -6.628
  807   1HG2  ILE 108          HG22      ILE 108   4.935  -3.841  -3.841
  808   2HG2  ILE 108          HG21      ILE 108   4.861  -4.155  -4.155
  809   3HG2  ILE 108          HG23      ILE 108   6.211  -3.241  -3.241
  810   1HD1  ILE 108          HD12      ILE 108   4.949  -5.854  -5.854
  811   2HD1  ILE 108          HD11      ILE 108   3.881  -7.148  -7.148
  812   3HD1  ILE 108          HD13      ILE 108   3.640  -5.502  -5.502
  813    H    VAL 109           HN       VAL 109   9.123  -5.587  -5.587
  814    HA   VAL 109           HA       VAL 109  10.051  -2.923  -2.923
  815    HB   VAL 109           HB       VAL 109  10.436  -4.998  -4.998
  816   1HG1  VAL 109          HG12      VAL 109  11.180  -6.430  -6.430
  817   2HG1  VAL 109          HG11      VAL 109  12.690  -5.521  -5.521
  818   3HG1  VAL 109          HG13      VAL 109  12.249  -6.470  -6.470
  819   1HG2  VAL 109          HG22      VAL 109  12.470  -2.964  -2.964
  820   2HG2  VAL 109          HG21      VAL 109  11.712  -3.264  -3.264
  821   3HG2  VAL 109          HG23      VAL 109  13.022  -4.305  -4.305
  822    H    ASN 110           HN       ASN 110  11.220  -5.474  -5.474
  823    HA   ASN 110           HA       ASN 110  13.449  -4.117  -4.117
  824   1HB   ASN 110           HB2      ASN 110  13.111  -5.694  -5.694
  825   2HB   ASN 110           HB1      ASN 110  12.898  -6.473  -6.473
  826   1HD2  ASN 110          HD22      ASN 110  10.045  -7.400  -7.400
  827   2HD2  ASN 110          HD21      ASN 110  11.729  -7.479  -7.479
  828    H    TRP 111           HN       TRP 111  10.060  -4.088  -4.088
  829    HA   TRP 111           HA       TRP 111  10.345  -2.391  -2.391
  830   1HB   TRP 111           HB2      TRP 111   8.362  -3.749  -3.749
  831   2HB   TRP 111           HB1      TRP 111   7.938  -2.080  -2.080
  832    HD1  TRP 111           HD1      TRP 111   8.568  -4.383  -4.383
  833    HE1  TRP 111           HE1      TRP 111   7.332  -3.410  -3.410
  834    HE3  TRP 111           HE3      TRP 111   6.882   0.005   0.005
  835    HZ2  TRP 111           HZ2      TRP 111   5.828  -1.079  -1.079
  836    HZ3  TRP 111           HZ3      TRP 111   5.551   1.581   1.581
  837    HH2  TRP 111           HH2      TRP 111   5.022   1.044   1.044
  838    H    LEU 112           HN       LEU 112  10.010  -1.693  -1.693
  839    HA   LEU 112           HA       LEU 112   9.717   1.179   1.179
  840   1HB   LEU 112           HB1      LEU 112  10.452  -0.745  -0.745
  841   2HB   LEU 112           HB2      LEU 112  10.383   0.996   0.996
  842    HG   LEU 112           HG       LEU 112   8.095  -0.595  -0.595
  843   1HD1  LEU 112          HD12      LEU 112   9.015  -0.792  -0.792
  844   2HD1  LEU 112          HD11      LEU 112   7.765   0.446   0.446
  845   3HD1  LEU 112          HD13      LEU 112   7.372  -1.148  -1.148
  846   1HD2  LEU 112          HD23      LEU 112   8.629   2.240   2.240
  847   2HD2  LEU 112          HD22      LEU 112   7.514   1.549   1.549
  848   3HD2  LEU 112          HD21      LEU 112   7.057   1.634   1.634
  849    H    LYS 113           HN       LYS 113  12.480  -0.872  -0.872
  850    HA   LYS 113           HA       LYS 113  14.423   1.186   1.186
  851   1HB   LYS 113           HB2      LYS 113  14.556  -1.761  -1.761
  852   2HB   LYS 113           HB1      LYS 113  15.992  -0.783  -0.783
  853   1HG   LYS 113           HG2      LYS 113  15.505  -0.529  -0.529
  854   2HG   LYS 113           HG1      LYS 113  13.768  -0.719  -0.719
  855   1HD   LYS 113           HD2      LYS 113  13.897  -3.045  -3.045
  856   2HD   LYS 113           HD1      LYS 113  15.591  -3.033  -3.033
  857   1HE   LYS 113           HE2      LYS 113  15.882  -1.879  -1.879
  858   2HE   LYS 113           HE1      LYS 113  14.416  -2.825  -2.825
  859   1HZ   LYS 113           HZ2      LYS 113  15.609  -4.711  -4.711
  860   2HZ   LYS 113           HZ1      LYS 113  17.030  -3.794  -3.794
  861   3HZ   LYS 113           HZ3      LYS 113  16.187  -4.300  -4.300
  862    H    LYS 114           HN       LYS 114  13.225  -0.643  -0.643
  863    HA   LYS 114           HA       LYS 114  15.202   0.000   0.000
  864   1HB   LYS 114           HB2      LYS 114  12.483  -0.988  -0.988
  865   2HB   LYS 114           HB1      LYS 114  12.669   0.080   0.080
  866   1HG   LYS 114           HG2      LYS 114  14.760  -2.004  -2.004
  867   2HG   LYS 114           HG1      LYS 114  13.260  -2.468  -2.468
  868   1HD   LYS 114           HD2      LYS 114  14.308  -1.824  -1.824
  869   2HD   LYS 114           HD1      LYS 114  13.950  -0.183  -0.183
  870   1HE   LYS 114           HE2      LYS 114  16.324  -1.129  -1.129
  871   2HE   LYS 114           HE1      LYS 114  16.516  -1.309  -1.309
  872   1HZ   LYS 114           HZ1      LYS 114  15.471   1.134   1.134
  873   2HZ   LYS 114           HZ3      LYS 114  17.075   0.949   0.949
  874   3HZ   LYS 114           HZ2      LYS 114  15.809   0.942   0.942
  875    H    ARG 115           HN       ARG 115  12.370   1.874   1.874
  876    HA   ARG 115           HA       ARG 115  13.055   4.104   4.104
  877   1HB   ARG 115           HB2      ARG 115  10.746   3.024   3.024
  878   2HB   ARG 115           HB1      ARG 115  10.975   4.580   4.580
  879   1HG   ARG 115           HG2      ARG 115  11.079   4.245   4.245
  880   2HG   ARG 115           HG1      ARG 115   9.603   4.663   4.663
  881   1HD   ARG 115           HD2      ARG 115  10.252   6.832   6.832
  882   2HD   ARG 115           HD1      ARG 115  11.654   6.395   6.395
  883    HE   ARG 115           HE       ARG 115  12.650   5.645   5.645
  884   1HH1  ARG 115          HH11      ARG 115  10.632   6.680   6.680
  885   2HH1  ARG 115          HH12      ARG 115  11.129   8.313   8.313
  886   1HH2  ARG 115          HH21      ARG 115  13.252   8.448   8.448
  887   2HH2  ARG 115          HH22      ARG 115  12.612   9.313   9.313
  888    H    THR 116           HN       THR 116  13.194   3.283   3.283
  889    HA   THR 116           HA       THR 116  14.017   5.986   5.986
  890    HB   THR 116           HB       THR 116  13.786   3.293   3.293
  891    HG1  THR 116           HG1      THR 116  12.187   5.634   5.634
  892   1HG2  THR 116          HG21      THR 116  14.762   5.944   5.944
  893   2HG2  THR 116          HG23      THR 116  13.707   5.053   5.053
  894   3HG2  THR 116          HG22      THR 116  15.214   4.328   4.328
  895    H    GLY 117           HN       GLY 117  15.542   2.790   2.790
  896   1HA   GLY 117           HA2      GLY 117  17.807   2.181   2.181
  897   2HA   GLY 117           HA1      GLY 117  17.985   3.281   3.281
  898    HA   PRO 118           HA       PRO 118  20.097   5.006   5.006
  899   1HB   PRO 118           HB2      PRO 118  22.686   4.786   4.786
  900   2HB   PRO 118           HB1      PRO 118  21.857   3.509   3.509
  901   1HG   PRO 118           HG2      PRO 118  22.429   3.712   3.712
  902   2HG   PRO 118           HG1      PRO 118  22.409   2.288   2.288
  903   1HD   PRO 118           HD2      PRO 118  20.386   2.975   2.975
  904   2HD   PRO 118           HD1      PRO 118  20.179   1.950   1.950
  905    H    ALA 119           HN       ALA 119  19.203   7.030   7.030
  906    HA   ALA 119           HA       ALA 119  20.858   8.469   8.469
  907   1HB   ALA 119           HB2      ALA 119  18.039   8.013   8.013
  908   2HB   ALA 119           HB1      ALA 119  18.358   9.744   9.744
  909   3HB   ALA 119           HB3      ALA 119  18.851   8.842   8.842
  910    H    ALA 120           HN       ALA 120  22.365   9.176   9.176
  911    HA   ALA 120           HA       ALA 120  21.347  11.565  11.565
  912   1HB   ALA 120           HB3      ALA 120  22.402   9.016   9.016
  913   2HB   ALA 120           HB2      ALA 120  22.691  10.540  10.540
  914   3HB   ALA 120           HB1      ALA 120  21.040  10.005  10.005