*HEADER    TRANSPORT PROTEIN                       14-MAR-06   2GCX              
*TITLE     SOLUTION STRUCTURE OF FERROUS IRON TRANSPORT PROTEIN A                
*TITLE    2 (FEOA) OF KLEBSIELLA PNEUMONIAE                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN A;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: FEOA;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET-22B(+)                                
*KEYWDS    KLEBSIELLA PNEUMONIAE, FEOA, FERROUS IRON TRANSPORT PROTEIN           
*KEYWDS   2 A, NMR                                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.-W.HUNG, C.-C.CHENG, T.-H.YU, S.-H.WANG, C.-F.CHANG, S.-            
*AUTHOR   2 F.TSAI, T.-H.HUANG                                                   
*REVDAT   1   20-MAR-07 2GCX    0                                                


 ASSI {   47}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     2.500     3.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.11673E-01 ppm1      7.967 ppm2      5.280 CV     1
 OR {   47}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {   51}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     2.700     3.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11015E-01 ppm1      8.734 ppm2      4.473 CV     1
 OR {   51}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {   54}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.700     2.700     3.300 peak    54 spectrum    1 weight  0.10000E+01 volume  0.10637E-01 ppm1      7.671 ppm2      0.913 CV     1
 OR {   54}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 67   and name HD1%)
 ASSI {   79}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.200     0.600     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.78975E-02 ppm1      8.220 ppm2      1.576 CV     1
 OR {   79}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {   95}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.66353E-02 ppm1      8.946 ppm2      4.243 CV     1
 OR {   95}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  111}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.600     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.53847E-02 ppm1      7.873 ppm2      4.479 CV     1
 OR {  111}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  115}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      2.300     0.700     0.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.53377E-02 ppm1      8.731 ppm2      1.745 CV     1
 OR {  115}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  147}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.400     0.700     0.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.43962E-02 ppm1      8.576 ppm2      4.277 CV     1
 OR {  147}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  161}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.40102E-02 ppm1      7.415 ppm2      8.261 CV     1
 OR {  161}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  168}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.300     1.400     1.400 peak   168 spectrum    1 weight  0.10000E+01 volume  0.37938E-02 ppm1      8.946 ppm2      0.876 CV     1
 OR {  168}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  189}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.32666E-02 ppm1      8.241 ppm2      7.837 CV     1
 OR {  189}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  273}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.23157E-02 ppm1      8.376 ppm2      4.281 CV     1
 OR {  273}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  304}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      3.200     1.300     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.21841E-02 ppm1      8.964 ppm2      1.703 CV     1
 OR {  304}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  304}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
 ASSI {  321}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG12))
      3.200     1.300     1.300 peak   321 spectrum    1 weight  0.10000E+01 volume  0.20616E-02 ppm1      8.717 ppm2      0.711 CV     1
 OR {  321}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI {  375}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.600     1.600     1.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.17133E-02 ppm1      9.390 ppm2      4.285 CV     1
 OR {  375}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.15156E-02 ppm1      8.015 ppm2      1.318 CV     1
 OR {  419}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  429}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.100     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      8.280 ppm2      4.143 CV     1
 OR {  429}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  514}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      9.051 ppm2      9.238 CV     1
 OR {  514}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  516}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.400     1.400     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      8.379 ppm2      1.917 CV     1
 OR {  516}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  529}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.900     1.900     1.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.10732E-02 ppm1      7.763 ppm2      1.738 CV     1
 OR {  529}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  538}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      4.000     2.000     2.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      8.391 ppm2      1.951 CV     1
 OR {  538}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
 OR {  538}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  580}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.700     1.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.91596E-03 ppm1      7.072 ppm2      3.760 CV     1
 OR {  580}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  605}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.86229E-03 ppm1      7.874 ppm2      4.246 CV     1
 OR {  605}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  674}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.69571E-03 ppm1      8.943 ppm2      9.229 CV     1
 OR {  674}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  756}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.52341E-03 ppm1      8.943 ppm2      8.755 CV     1
 OR {  756}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  795}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HE2 ))
      4.900     3.000     1.100 peak   795 spectrum    1 weight  0.10000E+01 volume  0.47069E-03 ppm1      8.724 ppm2      2.834 CV     1
 OR {  795}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HE3 ))
 OR {  795}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  818}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      4.900     3.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.41609E-03 ppm1      8.236 ppm2      2.348 CV     1
 OR {  818}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HG3 ))
 ASSI {  897}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      5.000     3.200     1.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.24570E-03 ppm1      9.292 ppm2      1.420 CV     1
 OR {  897}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  901}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      5.200     3.400     0.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.22971E-03 ppm1      7.074 ppm2      0.715 CV     1
 OR {  901}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
 ASSI {  935}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.000     3.200     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.12237E-03 ppm1      9.243 ppm2      9.029 CV     1
 OR {  935}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  937}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      5.200     3.400     0.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.11391E-03 ppm1      9.244 ppm2      5.273 CV     1
 OR {  937}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  993}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.22782E-03 ppm1     10.261 ppm2      8.006 CV     1
 OR {  993}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1008}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HD2 ))
      3.700     1.700     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.78975E-03 ppm1      9.999 ppm2      1.639 CV     1
 OR { 1008}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  153}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG3 ))
      2.000     0.500     0.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27979E-01 ppm1      4.348 ppm2      1.909 CV     1
 OR {  153}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 OR {  153}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI {  156}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.000     0.500     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.27754E-01 ppm1      2.037 ppm2      2.367 CV     1
 OR {  156}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG3 ))
 OR {  156}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  156}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HG3 ))
 ASSI {  183}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      1.900     0.400     0.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.21689E-01 ppm1      0.709 ppm2      0.904 CV     1
 OR {  183}
   (  segid "    " and resid 68   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  228}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HA2 ))
      1.700     0.400     0.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.15287E-01 ppm1      4.252 ppm2      3.516 CV     1
 OR {  228}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 46   and name HA2 ))
 ASSI {  229}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HB3 ))
      2.200     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.15265E-01 ppm1      0.731 ppm2      1.682 CV     1
 OR {  229}
   (( segid "    " and resid 51   and name HG12))
   (( segid "    " and resid 51   and name HB  ))
 ASSI {  231}
   (( segid "    " and resid 63   and name HD3 ))
   (( segid "    " and resid 63   and name HG3 ))
      2.000     0.500     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.14614E-01 ppm1      1.542 ppm2      1.297 CV     1
 OR {  231}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HG3 ))
 OR {  231}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HG3 ))
 OR {  231}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI {  244}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB2 ))
      2.300     0.600     0.600 peak   244 spectrum    1 weight  0.10000E+01 volume  0.13296E-01 ppm1      0.780 ppm2      1.351 CV     1
 OR {  244}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 OR {  244}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  298}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      1.800     0.400     0.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.10162E-01 ppm1      4.036 ppm2      4.293 CV     1
 OR {  298}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  311}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      2.300     0.700     0.700 peak   311 spectrum    1 weight  0.10000E+01 volume  0.93994E-02 ppm1      4.779 ppm2      4.293 CV     1
 OR {  311}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
 ASSI {  364}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.75650E-02 ppm1      4.627 ppm2      1.842 CV     1
 OR {  364}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  400}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HB3 ))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.65588E-02 ppm1      0.774 ppm2      1.751 CV     1
 OR {  400}
   (  segid "    " and resid 67   and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  640}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB3 ))
      2.600     0.800     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.36260E-02 ppm1      0.509 ppm2      1.743 CV     1
 OR {  640}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  689}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.800     0.800 peak   689 spectrum    1 weight  0.10000E+01 volume  0.32007E-02 ppm1      4.292 ppm2      4.125 CV     1
 OR {  689}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  694}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.31111E-02 ppm1      4.040 ppm2      8.433 CV     1
 OR {  694}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  696}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE2 ))
      2.700     0.900     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.30888E-02 ppm1      1.546 ppm2      2.849 CV     1
 OR {  696}
   (( segid "    " and resid 63   and name HD2 ))
   (( segid "    " and resid 63   and name HE2 ))
 OR {  696}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HE2 ))
 OR {  696}
   (( segid "    " and resid 25   and name HD3 ))
   (( segid "    " and resid 25   and name HE3 ))
 ASSI {  720}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.29096E-02 ppm1      5.165 ppm2      4.303 CV     1
 OR {  720}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  728}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      4.779 ppm2      8.433 CV     1
 OR {  728}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  782}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.25965E-02 ppm1      0.511 ppm2      1.319 CV     1
 OR {  782}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  810}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.24396E-02 ppm1      4.273 ppm2      8.440 CV     1
 OR {  810}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  824}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.23726E-02 ppm1      3.801 ppm2      8.339 CV     1
 OR {  824}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  911}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.18981E-02 ppm1      4.732 ppm2      8.829 CV     1
 OR {  911}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  969}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.16743E-02 ppm1      4.290 ppm2      9.232 CV     1
 OR {  969}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1084}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.13431E-02 ppm1      4.125 ppm2      8.012 CV     1
 OR { 1084}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1115}
   (  segid "    " and resid 49   and name HG1%)
   (  segid "    " and resid 49   and name HG2%)
      3.200     1.300     1.300 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.12444E-02 ppm1      0.739 ppm2      0.612 CV     1
 OR { 1115}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 73   and name HG1%)
 ASSI { 1158}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      3.100     1.200     1.200 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.11259E-02 ppm1      1.826 ppm2      1.352 CV     1
 OR { 1158}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR { 1158}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1158}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG3 ))
 ASSI { 1173}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      3.906 ppm2      4.750 CV     1
 OR { 1173}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1194}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.10364E-02 ppm1      5.582 ppm2      4.348 CV     1
 OR { 1194}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1224}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.300     1.300 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.93567E-03 ppm1      1.323 ppm2      8.812 CV     1
 OR { 1224}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1234}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.91085E-03 ppm1      4.000 ppm2      8.012 CV     1
 OR { 1234}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
      4.100     2.100     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.83938E-03 ppm1      4.476 ppm2      0.881 CV     1
 OR { 1271}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1296}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.78785E-03 ppm1      4.435 ppm2      4.738 CV     1
 OR { 1296}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1311}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      4.300     2.300     1.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.75876E-03 ppm1      4.083 ppm2      2.349 CV     1
 OR { 1311}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI { 1347}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.500     1.500     1.500 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.69381E-03 ppm1      5.007 ppm2      9.023 CV     1
 OR { 1347}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1443}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      4.100     2.100     1.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.54390E-03 ppm1      4.437 ppm2      1.333 CV     1
 OR { 1443}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
 OR { 1443}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1504}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     1.600     1.600 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.40960E-03 ppm1      5.450 ppm2      9.241 CV     1
 OR { 1504}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1565}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      4.300     2.300     1.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.30217E-03 ppm1      5.029 ppm2      0.571 CV     1
 OR { 1565}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI { 1587}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      4.900     3.000     1.100 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.26860E-03 ppm1      0.020 ppm2      8.813 CV     1
 OR { 1587}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1675}
   (  segid "    " and resid 39   and name HG1%)
   (( segid "    " and resid 40   and name HN  ))
      4.800     2.900     1.200 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.11797E-03 ppm1      1.154 ppm2      9.232 CV     1
 OR { 1675}
   (  segid "    " and resid 39   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
! dihedral angle file generated by Csi2Aria.py

! CSI derived hbond restraint:assign (resid  25 and name N) (resid  20: 22 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  25 and name HN) (resid  20: 22 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  26 and name N) (resid  21: 23 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  26 and name HN) (resid  21: 23 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  27 and name N) (resid  22: 24 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  27 and name HN) (resid  22: 24 and name O) 2.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  28 and name N) (resid  23: 25 and name O) 3.2 1.0 0.0 

! CSI derived hbond restraint:assign (resid  28 and name HN) (resid  23: 25 and name O) 2.2 1.0 0.0 

assign (resid 9 and name N) (resid 37 and name O) 3.2 1 0
assign (resid 9 and name HN) (resid 37 and name O) 2.2 1 0
assign (resid 10 and name N) (resid 71 and name O) 3.2 1 0
assign (resid 10 and name HN) (resid 71 and name O) 2.2 1 0
assign (resid 11 and name N) (resid 35 and name O) 3.2 1 0
assign (resid 11 and name HN) (resid 35 and name O) 2.2 1 0
assign (resid 12 and name N) (resid 69 and name O) 3.2 1 0
assign (resid 12 and name HN) (resid 69 and name O) 2.2 1 0
assign (resid 35 and name N) (resid 11 and name O) 3.2 1 0
assign (resid 35 and name HN) (resid 11 and name O) 2.2 1 0
assign (resid 37 and name N) (resid 9 and name O) 3.2 1 0
assign (resid 37 and name HN) (resid 9 and name O) 2.2 1 0
assign (resid 38 and name N) (resid 52 and name O) 3.2 1 0
assign (resid 38 and name HN) (resid 52 and name O) 2.2 1 0
assign (resid 40 and name N) (resid 50 and name O) 3.2 1 0
assign (resid 40 and name HN) (resid 50 and name O) 2.2 1 0
assign (resid 49 and name N) (resid 60 and name O) 3.2 1 0
assign (resid 49 and name HN) (resid 60 and name O) 2.2 1 0
assign (resid 51 and name N) (resid 58 and name O) 3.2 1 0
assign (resid 51 and name HN) (resid 58 and name O) 2.2 1 0
assign (resid 52 and name N) (resid 38 and name O) 3.2 1 0
assign (resid 52 and name HN) (resid 38 and name O) 2.2 1 0
assign (resid 53 and name N) (resid 56 and name O) 3.2 1 0
assign (resid 53 and name HN) (resid 56 and name O) 2.2 1 0
assign (resid 56 and name N) (resid 53 and name O) 3.2 1 0
assign (resid 56 and name HN) (resid 53 and name O) 2.2 1 0
assign (resid 58 and name N) (resid 51 and name O) 3.2 1 0
assign (resid 58 and name HN) (resid 51 and name O) 2.2 1 0
assign (resid 60 and name N) (resid 49 and name O) 3.2 1 0
assign (resid 60 and name HN) (resid 49 and name O) 2.2 1 0
assign (resid 69 and name N) (resid 12 and name O) 3.2 1 0
assign (resid 69 and name HN) (resid 12 and name O) 2.2 1 0
assign (resid 71 and name N) (resid 10 and name O) 3.2 1 0
assign (resid 71 and name HN) (resid 10 and name O) 2.2 1 0
 ASSI {    3}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      1.800     1.800     4.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13179E+00 ppm1      8.243 ppm2      1.037 CV     1
 ASSI {    5}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD2 ))
      1.700     1.700     4.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.48198E-01 ppm1      8.181 ppm2      3.937 CV     1
 OR {    5}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {    6}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      1.600     1.600     4.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.47352E-01 ppm1      8.819 ppm2      5.772 CV     1
 ASSI {    7}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      1.700     0.300     0.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.32006E-01 ppm1      8.396 ppm2      4.113 CV     1
 ASSI {   10}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.500     2.500     3.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.28807E-01 ppm1      8.392 ppm2      4.741 CV     1
 ASSI {   12}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.100     2.100     3.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.27960E-01 ppm1      7.852 ppm2      1.942 CV     1
 ASSI {   13}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      1.800     0.400     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.26924E-01 ppm1      8.391 ppm2      4.333 CV     1
 ASSI {   16}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.100     2.100     3.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.23157E-01 ppm1      7.851 ppm2      1.942 CV     1
 ASSI {   21}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.600     2.600     3.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17888E-01 ppm1      7.074 ppm2      4.729 CV     1
 ASSI {   34}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     2.600     3.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.13367E-01 ppm1      8.347 ppm2      4.163 CV     1
 ASSI {   68}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.000     0.500     0.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.96025E-02 ppm1      8.174 ppm2      2.030 CV     1
 ASSI {   76}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.100     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.80773E-02 ppm1      8.348 ppm2      3.832 CV     1
 ASSI {   86}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.100     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.71536E-02 ppm1      7.419 ppm2      4.050 CV     1
 ASSI {   87}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      2.700     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.70788E-02 ppm1      8.345 ppm2      0.779 CV     1
 ASSI {   88}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.200     0.600     0.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.70598E-02 ppm1      8.220 ppm2      4.352 CV     1
 ASSI {   93}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.600     0.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.66448E-02 ppm1      8.844 ppm2      4.716 CV     1
 ASSI {   94}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.900     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.66353E-02 ppm1      7.411 ppm2      1.763 CV     1
 ASSI {   96}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.65979E-02 ppm1      8.444 ppm2      4.766 CV     1
 ASSI {   97}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.600     0.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.65053E-02 ppm1      7.955 ppm2      4.398 CV     1
 ASSI {   98}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.100     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.63355E-02 ppm1      8.779 ppm2      4.480 CV     1
 ASSI {  100}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.100     2.100     3.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.62702E-02 ppm1      8.945 ppm2      5.035 CV     1
 ASSI {  103}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.600     0.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.60720E-02 ppm1      8.253 ppm2      4.557 CV     1
 ASSI {  108}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.400     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.57989E-02 ppm1      8.844 ppm2      0.934 CV     1
 ASSI {  109}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.57706E-02 ppm1      7.591 ppm2      1.421 CV     1
 ASSI {  110}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.800     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.56106E-02 ppm1      8.220 ppm2      1.668 CV     1
 ASSI {  112}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.200     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.53659E-02 ppm1      7.075 ppm2      1.272 CV     1
 OR {  112}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HG3 ))
 ASSI {  113}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG  ))
      2.100     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.53471E-02 ppm1      8.348 ppm2      1.765 CV     1
 OR {  113}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  114}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.53377E-02 ppm1      7.958 ppm2      4.246 CV     1
 ASSI {  116}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.53095E-02 ppm1      7.290 ppm2      3.591 CV     1
 ASSI {  118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.51494E-02 ppm1      8.491 ppm2      4.043 CV     1
 ASSI {  119}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      3.000     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.51212E-02 ppm1      8.505 ppm2      3.416 CV     1
 ASSI {  120}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.50928E-02 ppm1      8.049 ppm2      4.698 CV     1
 ASSI {  121}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.300     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.50835E-02 ppm1      8.248 ppm2      3.916 CV     1
 ASSI {  123}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     3.200     2.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.50740E-02 ppm1      8.674 ppm2      3.862 CV     1
 ASSI {  125}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.50647E-02 ppm1      8.759 ppm2      1.831 CV     1
 OR {  125}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  126}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.50269E-02 ppm1      8.355 ppm2      4.302 CV     1
 ASSI {  127}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.49893E-02 ppm1      8.710 ppm2      5.251 CV     1
 ASSI {  128}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      7.417 ppm2      0.874 CV     1
 ASSI {  130}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.48387E-02 ppm1      8.965 ppm2      4.291 CV     1
 ASSI {  133}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 67   and name HD1%)
      3.200     3.200     2.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.47539E-02 ppm1      7.588 ppm2      0.940 CV     1
 ASSI {  134}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.47539E-02 ppm1      8.188 ppm2      5.209 CV     1
 ASSI {  135}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.47257E-02 ppm1      7.874 ppm2      1.421 CV     1
 ASSI {  137}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.46506E-02 ppm1      8.220 ppm2      1.890 CV     1
 OR {  137}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
 ASSI {  140}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.45186E-02 ppm1      8.230 ppm2      1.242 CV     1
 ASSI {  141}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.44998E-02 ppm1      7.850 ppm2      2.047 CV     1
 OR {  141}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  142}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      3.000     3.000     3.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.44810E-02 ppm1      8.788 ppm2      0.032 CV     1
 ASSI {  144}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.44246E-02 ppm1      7.666 ppm2      1.524 CV     1
 ASSI {  145}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.44151E-02 ppm1      7.291 ppm2      0.611 CV     1
 ASSI {  146}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.44057E-02 ppm1      8.612 ppm2      4.290 CV     1
 ASSI {  150}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.42833E-02 ppm1      8.792 ppm2      4.445 CV     1
 ASSI {  151}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.100     0.600     0.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.42643E-02 ppm1      8.505 ppm2      4.170 CV     1
 ASSI {  152}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.42551E-02 ppm1      8.941 ppm2      1.215 CV     1
 OR {  152}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  153}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.42269E-02 ppm1      9.015 ppm2      5.901 CV     1
 ASSI {  154}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.42173E-02 ppm1      8.250 ppm2      3.808 CV     1
 ASSI {  158}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.40761E-02 ppm1      8.846 ppm2      1.868 CV     1
 OR {  158}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {  164}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.39068E-02 ppm1      7.464 ppm2      9.281 CV     1
 ASSI {  165}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.38690E-02 ppm1      7.564 ppm2      4.575 CV     1
 ASSI {  167}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.38219E-02 ppm1      6.943 ppm2      4.400 CV     1
 ASSI {  169}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.37750E-02 ppm1      7.709 ppm2      1.782 CV     1
 ASSI {  173}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.35396E-02 ppm1      7.851 ppm2      0.732 CV     1
 ASSI {  174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.35208E-02 ppm1      7.072 ppm2      7.661 CV     1
 ASSI {  175}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.35114E-02 ppm1      8.577 ppm2      3.494 CV     1
 ASSI {  176}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.900     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.34924E-02 ppm1      6.786 ppm2      2.553 CV     1
 OR {  176}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  177}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.34831E-02 ppm1      8.841 ppm2      4.738 CV     1
 ASSI {  178}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.34642E-02 ppm1      8.391 ppm2      1.571 CV     1
 OR {  178}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  179}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.34549E-02 ppm1      7.413 ppm2      4.164 CV     1
 ASSI {  180}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.34360E-02 ppm1      8.987 ppm2      5.297 CV     1
 ASSI {  181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.34360E-02 ppm1      7.074 ppm2      2.837 CV     1
 OR {  181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  182}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      2.400     0.700     0.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.34267E-02 ppm1      7.763 ppm2      4.253 CV     1
 ASSI {  183}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.600     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.34267E-02 ppm1      8.049 ppm2      1.331 CV     1
 OR {  183}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  184}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HG1%)
      2.800     1.000     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.33985E-02 ppm1      7.873 ppm2      1.072 CV     1
 ASSI {  185}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.400     1.400     1.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      8.709 ppm2      3.906 CV     1
 ASSI {  186}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      8.261 ppm2      3.979 CV     1
 OR {  186}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  187}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.33796E-02 ppm1      9.178 ppm2      5.590 CV     1
 ASSI {  188}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.32949E-02 ppm1      9.052 ppm2      4.741 CV     1
 ASSI {  190}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.32101E-02 ppm1      8.445 ppm2      5.909 CV     1
 ASSI {  192}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.31913E-02 ppm1      8.967 ppm2      1.862 CV     1
 OR {  192}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  193}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.31630E-02 ppm1      8.241 ppm2      1.763 CV     1
 ASSI {  194}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.31441E-02 ppm1      7.763 ppm2      3.563 CV     1
 ASSI {  195}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.31441E-02 ppm1      8.613 ppm2      5.164 CV     1
 ASSI {  196}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.31160E-02 ppm1      7.418 ppm2      1.963 CV     1
 ASSI {  198}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.400     3.400     2.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.31160E-02 ppm1      8.490 ppm2      1.781 CV     1
 ASSI {  199}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.30877E-02 ppm1      8.843 ppm2      4.633 CV     1
 ASSI {  200}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      7.295 ppm2      0.944 CV     1
 ASSI {  201}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.30594E-02 ppm1      8.791 ppm2      1.227 CV     1
 ASSI {  202}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.30219E-02 ppm1      8.262 ppm2      3.829 CV     1
 ASSI {  203}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.900     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.29936E-02 ppm1      8.578 ppm2      6.781 CV     1
 ASSI {  204}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.700     1.700     1.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.29746E-02 ppm1      8.356 ppm2      0.888 CV     1
 ASSI {  205}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.29558E-02 ppm1      9.011 ppm2      4.437 CV     1
 ASSI {  206}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.600     0.800     0.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.29558E-02 ppm1      8.944 ppm2      3.140 CV     1
 OR {  206}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  207}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.29465E-02 ppm1      8.347 ppm2      8.245 CV     1
 ASSI {  209}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.29371E-02 ppm1      9.011 ppm2      3.904 CV     1
 ASSI {  212}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.400     3.400     2.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.29183E-02 ppm1      7.706 ppm2      0.562 CV     1
 ASSI {  213}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.29089E-02 ppm1      8.678 ppm2      4.849 CV     1
 ASSI {  217}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.500     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.28617E-02 ppm1      7.767 ppm2      7.326 CV     1
 ASSI {  219}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      3.600     1.700     1.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      8.230 ppm2      0.618 CV     1
 ASSI {  220}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      8.778 ppm2      1.700 CV     1
 OR {  220}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI {  221}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.300     1.300     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.28429E-02 ppm1      7.076 ppm2      1.744 CV     1
 ASSI {  222}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      7.590 ppm2      4.251 CV     1
 ASSI {  223}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.28243E-02 ppm1      7.964 ppm2      2.161 CV     1
 ASSI {  224}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.27960E-02 ppm1      8.680 ppm2      0.889 CV     1
 ASSI {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.200     3.200     2.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.27677E-02 ppm1      7.464 ppm2      0.887 CV     1
 ASSI {  227}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.300     3.300     2.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.27677E-02 ppm1      7.954 ppm2      0.553 CV     1
 ASSI {  229}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      3.200     1.300     1.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.27581E-02 ppm1      8.396 ppm2      0.914 CV     1
 OR {  229}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  231}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.27206E-02 ppm1      7.708 ppm2      9.218 CV     1
 ASSI {  232}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.000     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.27112E-02 ppm1      8.985 ppm2      4.723 CV     1
 ASSI {  233}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      2.800     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.27018E-02 ppm1      8.048 ppm2      1.630 CV     1
 ASSI {  234}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.100     1.200     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.26924E-02 ppm1      8.251 ppm2      0.891 CV     1
 OR {  234}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  235}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.400     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      7.844 ppm2      3.036 CV     1
 ASSI {  236}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26736E-02 ppm1      7.291 ppm2      1.576 CV     1
 ASSI {  237}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      8.726 ppm2      7.672 CV     1
 ASSI {  238}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG3 ))
      2.300     0.700     0.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      8.726 ppm2      1.270 CV     1
 OR {  238}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  239}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      3.200     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.26547E-02 ppm1      8.050 ppm2      0.732 CV     1
 ASSI {  240}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.26452E-02 ppm1      7.766 ppm2      0.874 CV     1
 ASSI {  241}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.600     0.900     0.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.26452E-02 ppm1      8.353 ppm2      1.885 CV     1
 ASSI {  242}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.26452E-02 ppm1      8.576 ppm2      1.731 CV     1
 ASSI {  244}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      3.100     1.200     1.200 peak   244 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      7.967 ppm2      0.902 CV     1
 OR {  244}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  245}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     1.000     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.26077E-02 ppm1      8.816 ppm2      3.055 CV     1
 OR {  245}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  246}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.300     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.25982E-02 ppm1      7.707 ppm2      3.131 CV     1
 OR {  246}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  247}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.25700E-02 ppm1      7.668 ppm2      4.513 CV     1
 ASSI {  248}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.400     1.400     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.25606E-02 ppm1      6.942 ppm2      1.554 CV     1
 ASSI {  249}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.25322E-02 ppm1      7.843 ppm2      8.227 CV     1
 ASSI {  252}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.24852E-02 ppm1      8.788 ppm2      5.024 CV     1
 ASSI {  253}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      4.300     2.300     1.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.24759E-02 ppm1      7.759 ppm2      1.949 CV     1
 ASSI {  255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.24664E-02 ppm1      7.631 ppm2      7.836 CV     1
 ASSI {  256}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.24570E-02 ppm1      8.380 ppm2      1.755 CV     1
 ASSI {  258}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.700     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.24570E-02 ppm1      7.632 ppm2      2.034 CV     1
 OR {  258}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  259}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      2.800     1.000     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.24475E-02 ppm1      6.787 ppm2      1.424 CV     1
 ASSI {  260}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.24382E-02 ppm1      8.170 ppm2      4.123 CV     1
 ASSI {  264}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.24100E-02 ppm1      9.228 ppm2      4.215 CV     1
 ASSI {  265}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.24005E-02 ppm1      7.954 ppm2      7.756 CV     1
 ASSI {  269}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.23534E-02 ppm1      8.730 ppm2      7.072 CV     1
 ASSI {  270}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.23441E-02 ppm1      7.844 ppm2      2.817 CV     1
 ASSI {  271}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      3.400     1.400     1.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.23252E-02 ppm1      8.015 ppm2      1.723 CV     1
 ASSI {  272}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      2.900     1.000     1.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.23252E-02 ppm1      8.987 ppm2      1.187 CV     1
 ASSI {  275}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.400     1.500     1.500 peak   275 spectrum    1 weight  0.10000E+01 volume  0.23157E-02 ppm1      8.254 ppm2      2.159 CV     1
 ASSI {  276}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      3.700     1.700     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.22876E-02 ppm1      8.846 ppm2      2.155 CV     1
 OR {  276}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  277}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.22876E-02 ppm1      7.843 ppm2      1.350 CV     1
 ASSI {  279}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.500     1.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.22782E-02 ppm1      7.322 ppm2      2.080 CV     1
 ASSI {  280}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB3 ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      8.169 ppm2      1.940 CV     1
 ASSI {  281}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      8.842 ppm2      1.638 CV     1
 ASSI {  282}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.600     3.600     2.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      8.577 ppm2      2.564 CV     1
 ASSI {  283}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.000     1.100     1.100 peak   283 spectrum    1 weight  0.10000E+01 volume  0.22592E-02 ppm1      7.955 ppm2      2.113 CV     1
 OR {  283}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  284}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.22499E-02 ppm1      8.024 ppm2      5.210 CV     1
 ASSI {  285}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.22499E-02 ppm1      8.025 ppm2      1.019 CV     1
 ASSI {  288}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.800     2.800     3.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      9.178 ppm2      1.678 CV     1
 ASSI {  289}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      7.764 ppm2      7.413 CV     1
 ASSI {  290}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
      3.600     3.600     2.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      7.700 ppm2      0.386 CV     1
 ASSI {  291}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      8.417 ppm2      4.759 CV     1
 ASSI {  292}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.22310E-02 ppm1      8.282 ppm2      7.418 CV     1
 ASSI {  293}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     1.500     1.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.22310E-02 ppm1      8.015 ppm2      0.545 CV     1
 OR {  293}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  294}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB  ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.22310E-02 ppm1      8.797 ppm2      1.658 CV     1
 ASSI {  296}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.22217E-02 ppm1      8.283 ppm2      2.398 CV     1
 ASSI {  297}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.22123E-02 ppm1      9.245 ppm2      5.025 CV     1
 ASSI {  298}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      3.600     1.600     1.600 peak   298 spectrum    1 weight  0.10000E+01 volume  0.22123E-02 ppm1      7.873 ppm2      0.740 CV     1
 ASSI {  299}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.22027E-02 ppm1      8.242 ppm2      1.344 CV     1
 ASSI {  300}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.22027E-02 ppm1      8.816 ppm2      5.367 CV     1
 ASSI {  302}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.800     0.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.21935E-02 ppm1      8.729 ppm2     10.004 CV     1
 ASSI {  307}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG  ))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.21841E-02 ppm1      7.323 ppm2      1.846 CV     1
 ASSI {  308}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.21746E-02 ppm1      8.403 ppm2      4.353 CV     1
 ASSI {  309}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.21746E-02 ppm1      8.710 ppm2      1.324 CV     1
 OR {  309}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  310}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      2.700     0.900     0.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.21652E-02 ppm1      8.779 ppm2      1.926 CV     1
 ASSI {  311}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.200     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.21652E-02 ppm1      8.446 ppm2      4.284 CV     1
 ASSI {  312}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.21559E-02 ppm1      9.297 ppm2      4.331 CV     1
 ASSI {  314}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.20993E-02 ppm1      8.727 ppm2      4.028 CV     1
 ASSI {  316}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
      3.400     1.400     1.400 peak   316 spectrum    1 weight  0.10000E+01 volume  0.20804E-02 ppm1      7.706 ppm2      0.831 CV     1
 OR {  316}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  319}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA1 ))
      2.600     0.900     0.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.20710E-02 ppm1      9.392 ppm2      4.457 CV     1
 ASSI {  323}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG  ))
      3.600     1.600     1.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      8.258 ppm2      1.769 CV     1
 ASSI {  324}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      8.611 ppm2      2.759 CV     1
 ASSI {  325}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
      3.800     1.800     1.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1      8.348 ppm2      0.980 CV     1
 ASSI {  326}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1      9.243 ppm2      5.775 CV     1
 ASSI {  327}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HE3 ))
      3.800     1.800     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.20051E-02 ppm1      7.637 ppm2      2.844 CV     1
 OR {  327}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HE2 ))
 ASSI {  329}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      3.200     1.300     1.300 peak   329 spectrum    1 weight  0.10000E+01 volume  0.19864E-02 ppm1      7.667 ppm2      1.187 CV     1
 ASSI {  330}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      2.900     1.100     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.19864E-02 ppm1      7.567 ppm2      1.229 CV     1
 ASSI {  331}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      9.016 ppm2      3.686 CV     1
 OR {  331}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  335}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.19486E-02 ppm1      9.394 ppm2      8.408 CV     1
 ASSI {  337}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     1.000     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.19391E-02 ppm1      8.261 ppm2      7.399 CV     1
 ASSI {  340}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.19299E-02 ppm1      8.355 ppm2      1.400 CV     1
 ASSI {  342}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.19203E-02 ppm1      7.411 ppm2      4.295 CV     1
 ASSI {  343}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.300     2.300     3.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.19203E-02 ppm1      7.850 ppm2      1.771 CV     1
 ASSI {  344}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.19109E-02 ppm1      8.760 ppm2      5.728 CV     1
 ASSI {  345}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.000     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18921E-02 ppm1      8.402 ppm2      2.794 CV     1
 OR {  345}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI {  346}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.900     3.900     2.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.18827E-02 ppm1      7.462 ppm2      1.410 CV     1
 ASSI {  347}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      7.458 ppm2      1.006 CV     1
 ASSI {  348}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      7.665 ppm2      3.758 CV     1
 ASSI {  349}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      7.849 ppm2      3.801 CV     1
 ASSI {  350}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   350 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      8.014 ppm2      7.630 CV     1
 ASSI {  351}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      8.809 ppm2      0.009 CV     1
 ASSI {  353}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.18546E-02 ppm1      7.632 ppm2      3.928 CV     1
 ASSI {  354}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.500     1.600     1.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      6.787 ppm2      1.745 CV     1
 ASSI {  355}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.900     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.18452E-02 ppm1      9.176 ppm2      1.860 CV     1
 OR {  355}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  357}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      8.259 ppm2      4.168 CV     1
 ASSI {  358}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   358 spectrum    1 weight  0.10000E+01 volume  0.18170E-02 ppm1      7.633 ppm2      4.364 CV     1
 ASSI {  359}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      3.000     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.18170E-02 ppm1      8.189 ppm2      1.024 CV     1
 ASSI {  360}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.17981E-02 ppm1      7.290 ppm2      4.700 CV     1
 ASSI {  362}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17981E-02 ppm1      7.845 ppm2      4.363 CV     1
 ASSI {  364}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.17888E-02 ppm1      8.348 ppm2      1.380 CV     1
 ASSI {  365}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17888E-02 ppm1      8.504 ppm2      2.766 CV     1
 ASSI {  366}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.600     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.17888E-02 ppm1      6.944 ppm2      1.433 CV     1
 ASSI {  367}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      2.800     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      7.464 ppm2      4.173 CV     1
 ASSI {  370}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17416E-02 ppm1      8.013 ppm2      4.016 CV     1
 ASSI {  371}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.17321E-02 ppm1      8.356 ppm2      5.168 CV     1
 ASSI {  372}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.000     1.100     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.17321E-02 ppm1      7.667 ppm2      2.848 CV     1
 OR {  372}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI {  376}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.600     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.17133E-02 ppm1      6.787 ppm2      4.264 CV     1
 ASSI {  378}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.17039E-02 ppm1      8.028 ppm2      4.018 CV     1
 ASSI {  380}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16944E-02 ppm1      9.346 ppm2      4.835 CV     1
 ASSI {  382}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.16757E-02 ppm1      8.394 ppm2      1.804 CV     1
 ASSI {  383}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      7.961 ppm2      4.571 CV     1
 ASSI {  384}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      7.850 ppm2      8.235 CV     1
 ASSI {  385}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.16568E-02 ppm1      9.177 ppm2      4.720 CV     1
 ASSI {  387}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.900     1.100     1.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.16568E-02 ppm1      8.278 ppm2      2.739 CV     1
 ASSI {  388}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.600     3.600     2.400 peak   388 spectrum    1 weight  0.10000E+01 volume  0.16475E-02 ppm1      7.466 ppm2      5.590 CV     1
 ASSI {  390}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      7.322 ppm2      1.749 CV     1
 ASSI {  391}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 73   and name HG1%)
      3.200     1.300     1.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.16380E-02 ppm1      8.182 ppm2      0.614 CV     1
 ASSI {  392}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
      2.600     0.800     0.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      7.463 ppm2      3.417 CV     1
 ASSI {  393}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      9.012 ppm2      8.012 CV     1
 ASSI {  396}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.16286E-02 ppm1      6.941 ppm2      0.919 CV     1
 ASSI {  397}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.16191E-02 ppm1      6.786 ppm2      4.847 CV     1
 ASSI {  398}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.400     1.500     1.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16098E-02 ppm1      9.243 ppm2      3.033 CV     1
 OR {  398}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  399}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      4.100     2.100     1.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.16098E-02 ppm1      7.767 ppm2      0.725 CV     1
 ASSI {  401}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.700     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.16003E-02 ppm1      7.708 ppm2      1.217 CV     1
 OR {  401}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  404}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      8.218 ppm2      5.594 CV     1
 ASSI {  405}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      7.667 ppm2      1.310 CV     1
 ASSI {  406}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.15627E-02 ppm1      7.291 ppm2      3.927 CV     1
 ASSI {  410}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG1%)
      3.800     1.800     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      9.244 ppm2      1.146 CV     1
 ASSI {  412}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      8.986 ppm2      1.806 CV     1
 OR {  412}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
 ASSI {  413}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15344E-02 ppm1      8.249 ppm2      4.109 CV     1
 ASSI {  414}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15344E-02 ppm1      8.445 ppm2      4.044 CV     1
 ASSI {  416}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      8.014 ppm2      8.332 CV     1
 ASSI {  417}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG  ))
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.15156E-02 ppm1      7.588 ppm2      1.840 CV     1
 ASSI {  421}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   421 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      8.843 ppm2      3.589 CV     1
 ASSI {  422}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.15061E-02 ppm1      7.593 ppm2      7.323 CV     1
 ASSI {  423}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.300     1.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      9.056 ppm2      4.289 CV     1
 ASSI {  424}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      8.392 ppm2      7.959 CV     1
 ASSI {  425}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.14875E-02 ppm1      7.592 ppm2      1.296 CV     1
 ASSI {  428}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG3 ))
      3.300     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.14780E-02 ppm1      8.986 ppm2      2.211 CV     1
 OR {  428}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI {  430}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.14687E-02 ppm1      8.185 ppm2      1.195 CV     1
 ASSI {  432}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.14592E-02 ppm1      7.956 ppm2      1.718 CV     1
 ASSI {  433}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.500     1.500     1.500 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14592E-02 ppm1      8.216 ppm2      0.898 CV     1
 ASSI {  434}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.000     1.100     1.100 peak   434 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      9.013 ppm2      3.080 CV     1
 ASSI {  435}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.700     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      8.352 ppm2      1.611 CV     1
 ASSI {  436}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.400     1.400 peak   436 spectrum    1 weight  0.10000E+01 volume  0.14497E-02 ppm1      8.975 ppm2      3.728 CV     1
 ASSI {  437}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.14403E-02 ppm1      7.462 ppm2      4.333 CV     1
 ASSI {  439}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.14310E-02 ppm1      8.710 ppm2      4.700 CV     1
 ASSI {  440}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.14310E-02 ppm1      8.251 ppm2      5.246 CV     1
 ASSI {  441}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      8.240 ppm2      3.162 CV     1
 ASSI {  443}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.400     1.500     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      8.779 ppm2      0.892 CV     1
 ASSI {  444}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.300     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.14026E-02 ppm1      9.391 ppm2      3.540 CV     1
 ASSI {  446}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.300     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      8.679 ppm2      5.896 CV     1
 ASSI {  447}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.700     1.700     1.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.13839E-02 ppm1      8.011 ppm2      2.557 CV     1
 ASSI {  449}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.13839E-02 ppm1      9.229 ppm2      4.283 CV     1
 ASSI {  450}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.200     1.300     1.300 peak   450 spectrum    1 weight  0.10000E+01 volume  0.13744E-02 ppm1      8.447 ppm2      3.688 CV     1
 OR {  450}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  451}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.800     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.13649E-02 ppm1      7.955 ppm2      1.954 CV     1
 ASSI {  452}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HD1%)
      4.000     2.000     2.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.13649E-02 ppm1      7.325 ppm2      0.934 CV     1
 ASSI {  453}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      8.580 ppm2      8.365 CV     1
 ASSI {  454}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.400     1.400     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.13556E-02 ppm1      7.965 ppm2      4.738 CV     1
 ASSI {  456}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.900     1.100     1.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.13462E-02 ppm1      9.058 ppm2      1.663 CV     1
 ASSI {  457}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13367E-02 ppm1      9.229 ppm2      0.827 CV     1
 OR {  457}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG1%)
 ASSI {  461}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.13179E-02 ppm1      9.053 ppm2      8.806 CV     1
 ASSI {  462}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.800     1.800     1.800 peak   462 spectrum    1 weight  0.10000E+01 volume  0.13179E-02 ppm1      7.848 ppm2      1.351 CV     1
 ASSI {  463}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      7.708 ppm2      1.701 CV     1
 OR {  463}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  464}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      7.955 ppm2      3.842 CV     1
 ASSI {  466}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      2.900     1.000     1.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.12992E-02 ppm1      9.242 ppm2      2.558 CV     1
 ASSI {  467}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.300     1.300     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      9.354 ppm2      1.591 CV     1
 ASSI {  468}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      3.000     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12896E-02 ppm1      8.840 ppm2      2.833 CV     1
 OR {  468}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  470}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.000     1.200     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      6.934 ppm2      4.045 CV     1
 ASSI {  471}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   471 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      7.323 ppm2      4.414 CV     1
 ASSI {  472}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
      4.400     2.400     1.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.12804E-02 ppm1      7.405 ppm2      3.574 CV     1
 ASSI {  473}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
      3.700     1.700     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      8.782 ppm2      1.221 CV     1
 OR {  473}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  474}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      3.900     1.900     1.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.12615E-02 ppm1      8.705 ppm2      0.032 CV     1
 ASSI {  476}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.800     1.000     1.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.12520E-02 ppm1      8.232 ppm2      1.573 CV     1
 ASSI {  478}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.504 ppm2      5.160 CV     1
 ASSI {  479}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.000     1.100     1.100 peak   479 spectrum    1 weight  0.10000E+01 volume  0.12332E-02 ppm1      8.170 ppm2      1.837 CV     1
 ASSI {  481}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HD2%)
      3.900     1.900     1.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      7.324 ppm2      0.759 CV     1
 ASSI {  482}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     1.400     1.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      8.407 ppm2      1.467 CV     1
 ASSI {  484}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.900     1.900     1.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.12145E-02 ppm1      8.494 ppm2      1.961 CV     1
 ASSI {  486}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      4.000     2.000     2.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      8.614 ppm2      3.271 CV     1
 ASSI {  487}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.800     1.800     1.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.11956E-02 ppm1      8.843 ppm2      0.434 CV     1
 ASSI {  488}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.11956E-02 ppm1      9.055 ppm2      1.805 CV     1
 OR {  488}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
 ASSI {  489}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.11861E-02 ppm1      6.946 ppm2      1.708 CV     1
 ASSI {  490}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.11861E-02 ppm1      6.937 ppm2      7.942 CV     1
 ASSI {  491}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.900     1.900     1.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      8.489 ppm2      0.907 CV     1
 ASSI {  493}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      8.402 ppm2      0.700 CV     1
 ASSI {  495}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.11767E-02 ppm1      7.764 ppm2      3.845 CV     1
 ASSI {  497}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     2.700     3.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.11673E-02 ppm1      8.348 ppm2      8.597 CV     1
 ASSI {  499}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.700     2.700     3.300 peak   499 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      8.355 ppm2      2.046 CV     1
 ASSI {  501}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.300     1.300     1.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      8.491 ppm2      4.268 CV     1
 ASSI {  502}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11579E-02 ppm1      8.792 ppm2      4.723 CV     1
 ASSI {  503}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      3.600     1.600     1.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.11485E-02 ppm1      7.462 ppm2      1.602 CV     1
 ASSI {  505}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.11485E-02 ppm1      8.249 ppm2      8.706 CV     1
 ASSI {  507}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.11391E-02 ppm1      9.011 ppm2      2.921 CV     1
 ASSI {  510}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.100     1.200     1.200 peak   510 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      8.611 ppm2      0.884 CV     1
 ASSI {  511}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.11297E-02 ppm1      9.016 ppm2      8.181 CV     1
 ASSI {  513}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.300     2.300     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      7.707 ppm2      0.686 CV     1
 ASSI {  515}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      8.966 ppm2      8.275 CV     1
 ASSI {  517}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HB% )
      3.300     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      7.323 ppm2      1.421 CV     1
 ASSI {  518}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak   518 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      8.279 ppm2      1.874 CV     1
 OR {  518}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  519}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      7.963 ppm2      1.948 CV     1
 ASSI {  520}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   520 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      9.178 ppm2      9.350 CV     1
 ASSI {  524}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.10919E-02 ppm1      7.592 ppm2      3.756 CV     1
 ASSI {  528}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA2 ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.10826E-02 ppm1      7.956 ppm2      3.564 CV     1
 ASSI {  530}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.900     1.000     1.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.10732E-02 ppm1      9.230 ppm2      1.802 CV     1
 ASSI {  532}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.900     1.900     1.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      7.564 ppm2      2.799 CV     1
 OR {  532}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  534}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      8.778 ppm2      4.225 CV     1
 ASSI {  537}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.900     1.900     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      8.843 ppm2      0.716 CV     1
 ASSI {  540}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      4.000     2.000     2.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      7.463 ppm2      1.888 CV     1
 ASSI {  541}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG13))
      3.500     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      9.246 ppm2      1.149 CV     1
 ASSI {  542}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.700     1.700     1.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      7.872 ppm2      1.926 CV     1
 ASSI {  544}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.10261E-02 ppm1      8.815 ppm2      2.943 CV     1
 ASSI {  546}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      3.500     1.500     1.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      8.375 ppm2      1.648 CV     1
 ASSI {  548}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      8.493 ppm2      2.812 CV     1
 ASSI {  551}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.000     2.000     2.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      9.178 ppm2      1.560 CV     1
 ASSI {  555}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.98850E-03 ppm1      8.013 ppm2      4.296 CV     1
 ASSI {  556}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
      3.900     1.900     1.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.98850E-03 ppm1      8.759 ppm2      0.419 CV     1
 ASSI {  560}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     1.600     1.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.97895E-03 ppm1      9.013 ppm2      2.989 CV     1
 OR {  560}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  562}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      3.200     1.300     1.300 peak   562 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      8.576 ppm2      1.426 CV     1
 ASSI {  564}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.900     1.900     1.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.96025E-03 ppm1      8.854 ppm2      9.181 CV     1
 ASSI {  565}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.200     2.200     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.96025E-03 ppm1      7.293 ppm2      8.836 CV     1
 ASSI {  566}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.400     1.500     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.95087E-03 ppm1      8.415 ppm2      4.043 CV     1
 ASSI {  568}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.900     1.900     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.95087E-03 ppm1      8.416 ppm2      3.533 CV     1
 ASSI {  569}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.200     1.300     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.95087E-03 ppm1      8.575 ppm2      1.927 CV     1
 ASSI {  570}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.900     1.900     1.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.95087E-03 ppm1      7.631 ppm2      1.346 CV     1
 ASSI {  573}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.92623E-03 ppm1      8.259 ppm2      1.384 CV     1
 ASSI {  575}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   575 spectrum    1 weight  0.10000E+01 volume  0.92255E-03 ppm1      7.708 ppm2      8.941 CV     1
 ASSI {  576}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      4.000     2.000     2.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.92255E-03 ppm1      8.350 ppm2      3.979 CV     1
 OR {  576}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  577}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      2.900     1.100     1.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.92160E-03 ppm1      8.417 ppm2      1.892 CV     1
 ASSI {  578}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG1%)
      3.100     1.200     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.92071E-03 ppm1      9.228 ppm2      1.145 CV     1
 ASSI {  579}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.200     1.200 peak   579 spectrum    1 weight  0.10000E+01 volume  0.91964E-03 ppm1      8.245 ppm2      2.824 CV     1
 ASSI {  583}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.800     1.800     1.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.91216E-03 ppm1      7.415 ppm2      2.749 CV     1
 ASSI {  586}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   586 spectrum    1 weight  0.10000E+01 volume  0.91032E-03 ppm1      9.298 ppm2      5.587 CV     1
 ASSI {  588}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      4.000     2.000     2.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.90551E-03 ppm1      8.169 ppm2      1.238 CV     1
 ASSI {  591}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.800     1.800     1.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.90076E-03 ppm1      8.709 ppm2      0.793 CV     1
 ASSI {  592}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.89898E-03 ppm1      8.357 ppm2      7.465 CV     1
 ASSI {  593}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      4.600     2.600     1.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.89815E-03 ppm1      7.667 ppm2      0.017 CV     1
 ASSI {  594}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.400     1.400 peak   594 spectrum    1 weight  0.10000E+01 volume  0.89429E-03 ppm1      8.012 ppm2      3.914 CV     1
 ASSI {  595}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     1.700     1.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.89162E-03 ppm1      8.614 ppm2      0.727 CV     1
 ASSI {  596}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.400     1.500     1.500 peak   596 spectrum    1 weight  0.10000E+01 volume  0.88966E-03 ppm1      9.056 ppm2      0.837 CV     1
 ASSI {  597}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   597 spectrum    1 weight  0.10000E+01 volume  0.88301E-03 ppm1      7.320 ppm2      3.754 CV     1
 ASSI {  599}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.87458E-03 ppm1      8.376 ppm2      0.890 CV     1
 OR {  599}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  600}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.500     2.500     1.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.87262E-03 ppm1      8.493 ppm2      0.730 CV     1
 ASSI {  602}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.700     1.700     1.700 peak   602 spectrum    1 weight  0.10000E+01 volume  0.86704E-03 ppm1      7.766 ppm2      2.077 CV     1
 ASSI {  604}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.86609E-03 ppm1      7.966 ppm2      8.975 CV     1
 ASSI {  607}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      3.500     1.600     1.600 peak   607 spectrum    1 weight  0.10000E+01 volume  0.85659E-03 ppm1      9.246 ppm2      3.156 CV     1
 OR {  607}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  608}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.700     1.700     1.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.85564E-03 ppm1      7.568 ppm2      4.317 CV     1
 ASSI {  609}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HE3 ))
      3.700     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.85564E-03 ppm1      9.352 ppm2      7.106 CV     1
 ASSI {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.85279E-03 ppm1      9.011 ppm2      5.370 CV     1
 ASSI {  612}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      4.200     2.200     1.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.85095E-03 ppm1      8.163 ppm2      2.349 CV     1
 ASSI {  614}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.800     2.800     3.200 peak   614 spectrum    1 weight  0.10000E+01 volume  0.84911E-03 ppm1      7.290 ppm2      2.648 CV     1
 ASSI {  616}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.900     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.84436E-03 ppm1      9.351 ppm2      2.652 CV     1
 ASSI {  617}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      4.300     2.300     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.84157E-03 ppm1      7.845 ppm2      1.774 CV     1
 ASSI {  618}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG13))
      3.500     1.500     1.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.84157E-03 ppm1      9.058 ppm2      1.150 CV     1
 ASSI {  620}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.83783E-03 ppm1      8.010 ppm2      4.446 CV     1
 ASSI {  622}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.83403E-03 ppm1      7.070 ppm2      4.033 CV     1
 ASSI {  623}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      2.900     1.000     1.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.83213E-03 ppm1      7.633 ppm2      1.188 CV     1
 ASSI {  624}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.000     2.000     2.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.82934E-03 ppm1      7.700 ppm2      5.034 CV     1
 ASSI {  625}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.82839E-03 ppm1      8.397 ppm2      4.549 CV     1
 ASSI {  626}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   626 spectrum    1 weight  0.10000E+01 volume  0.82733E-03 ppm1      7.321 ppm2      4.262 CV     1
 ASSI {  629}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   629 spectrum    1 weight  0.10000E+01 volume  0.82180E-03 ppm1      8.676 ppm2      4.331 CV     1
 ASSI {  630}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.500     1.600     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.81801E-03 ppm1      8.680 ppm2      1.027 CV     1
 ASSI {  635}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      3.500     1.500     1.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.80008E-03 ppm1      8.217 ppm2      0.729 CV     1
 ASSI {  636}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.100     2.100     1.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.79818E-03 ppm1      6.944 ppm2      0.781 CV     1
 ASSI {  637}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.79818E-03 ppm1      8.517 ppm2      4.304 CV     1
 ASSI {  639}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.600     1.700     1.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.79177E-03 ppm1      8.021 ppm2      4.142 CV     1
 ASSI {  641}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.78607E-03 ppm1      7.965 ppm2      4.336 CV     1
 ASSI {  644}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.78049E-03 ppm1      9.245 ppm2      8.721 CV     1
 ASSI {  645}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.300     2.300     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.77865E-03 ppm1      9.232 ppm2      0.694 CV     1
 ASSI {  646}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.800     1.800     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.77099E-03 ppm1      8.280 ppm2      1.696 CV     1
 OR {  646}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  647}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.400     1.400     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.76737E-03 ppm1      7.873 ppm2      0.893 CV     1
 ASSI {  648}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.76440E-03 ppm1      9.059 ppm2      5.304 CV     1
 ASSI {  649}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.76060E-03 ppm1      9.231 ppm2      5.444 CV     1
 ASSI {  650}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.000     2.000     2.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.75876E-03 ppm1      9.012 ppm2      0.701 CV     1
 ASSI {  652}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      3.600     1.600     1.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.75324E-03 ppm1      9.178 ppm2      2.149 CV     1
 OR {  652}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  653}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HE3 ))
      3.900     3.900     2.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.75229E-03 ppm1      8.839 ppm2      3.053 CV     1
 OR {  653}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HE2 ))
 ASSI {  655}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 58   and name HD2%)
      4.000     2.000     2.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.74558E-03 ppm1      8.014 ppm2      0.727 CV     1
 ASSI {  656}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak   656 spectrum    1 weight  0.10000E+01 volume  0.74000E-03 ppm1      7.407 ppm2      7.946 CV     1
 ASSI {  657}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      3.500     1.500     1.500 peak   657 spectrum    1 weight  0.10000E+01 volume  0.73911E-03 ppm1      8.783 ppm2      2.276 CV     1
 ASSI {  658}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.000     2.000     2.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.73418E-03 ppm1      8.011 ppm2      0.702 CV     1
 ASSI {  659}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     1.600     1.600 peak   659 spectrum    1 weight  0.10000E+01 volume  0.73335E-03 ppm1      8.014 ppm2      2.989 CV     1
 OR {  659}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  660}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   660 spectrum    1 weight  0.10000E+01 volume  0.73335E-03 ppm1      9.298 ppm2      4.533 CV     1
 ASSI {  661}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      4.000     2.000     2.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.73335E-03 ppm1      8.825 ppm2      0.828 CV     1
 ASSI {  663}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.72106E-03 ppm1      8.506 ppm2      7.455 CV     1
 ASSI {  664}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      3.800     1.800     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.71821E-03 ppm1      9.242 ppm2      1.660 CV     1
 ASSI {  665}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB3 ))
      4.000     2.000     2.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.71732E-03 ppm1      8.404 ppm2      1.867 CV     1
 OR {  665}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  666}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     1.200     1.200 peak   666 spectrum    1 weight  0.10000E+01 volume  0.71637E-03 ppm1      8.416 ppm2      4.278 CV     1
 ASSI {  669}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      4.400     2.400     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.70503E-03 ppm1      9.006 ppm2      2.279 CV     1
 ASSI {  670}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.300     1.300 peak   670 spectrum    1 weight  0.10000E+01 volume  0.70420E-03 ppm1      9.246 ppm2      4.282 CV     1
 ASSI {  672}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     3.800     2.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.70046E-03 ppm1      7.292 ppm2      9.341 CV     1
 ASSI {  676}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak   676 spectrum    1 weight  0.10000E+01 volume  0.69280E-03 ppm1      9.239 ppm2      5.446 CV     1
 ASSI {  679}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
      3.900     1.900     1.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.68348E-03 ppm1      7.766 ppm2      0.914 CV     1
 ASSI {  680}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.000     2.000     2.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.68069E-03 ppm1      7.767 ppm2      3.753 CV     1
 ASSI {  682}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.300     1.300     1.300 peak   682 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      9.243 ppm2      4.438 CV     1
 ASSI {  683}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
      4.700     2.700     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      8.757 ppm2      1.424 CV     1
 ASSI {  684}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      4.300     2.300     1.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.66555E-03 ppm1      7.665 ppm2      0.718 CV     1
 ASSI {  685}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      3.000     1.100     1.100 peak   685 spectrum    1 weight  0.10000E+01 volume  0.66353E-03 ppm1      7.666 ppm2      0.248 CV     1
 ASSI {  686}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.65611E-03 ppm1      7.571 ppm2      0.698 CV     1
 ASSI {  687}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      4.500     2.600     1.500 peak   687 spectrum    1 weight  0.10000E+01 volume  0.65433E-03 ppm1      8.242 ppm2      0.506 CV     1
 ASSI {  688}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      3.500     1.500     1.500 peak   688 spectrum    1 weight  0.10000E+01 volume  0.64863E-03 ppm1      8.377 ppm2      1.433 CV     1
 ASSI {  690}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      4.600     2.700     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.64204E-03 ppm1      7.587 ppm2      0.260 CV     1
 ASSI {  692}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak   692 spectrum    1 weight  0.10000E+01 volume  0.63925E-03 ppm1      8.984 ppm2      5.007 CV     1
 ASSI {  694}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.62970E-03 ppm1      8.760 ppm2      4.628 CV     1
 ASSI {  696}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.900     3.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.62317E-03 ppm1      7.637 ppm2      0.543 CV     1
 OR {  696}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  697}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.62133E-03 ppm1      8.675 ppm2      9.000 CV     1
 ASSI {  698}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.300     1.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.62038E-03 ppm1      8.279 ppm2      3.722 CV     1
 ASSI {  699}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.600     1.600     1.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.61474E-03 ppm1      9.350 ppm2      3.583 CV     1
 ASSI {  700}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.800     1.900     1.900 peak   700 spectrum    1 weight  0.10000E+01 volume  0.61373E-03 ppm1      9.235 ppm2      0.562 CV     1
 ASSI {  702}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.100     2.100     1.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.61005E-03 ppm1      9.352 ppm2      1.194 CV     1
 ASSI {  704}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.61005E-03 ppm1      8.186 ppm2      5.778 CV     1
 ASSI {  706}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      4.000     2.000     2.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.60625E-03 ppm1      8.989 ppm2      0.901 CV     1
 OR {  706}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  711}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.300     2.300     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.60245E-03 ppm1      7.588 ppm2      1.744 CV     1
 ASSI {  713}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak   713 spectrum    1 weight  0.10000E+01 volume  0.59966E-03 ppm1      8.777 ppm2      7.869 CV     1
 ASSI {  714}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     2.600     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.59871E-03 ppm1      8.371 ppm2      6.786 CV     1
 ASSI {  715}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      4.100     2.100     1.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.59871E-03 ppm1      7.590 ppm2      1.538 CV     1
 ASSI {  717}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      4.000     2.000     2.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.59306E-03 ppm1      8.809 ppm2      1.189 CV     1
 ASSI {  718}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      3.800     1.800     1.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.59119E-03 ppm1      9.392 ppm2      0.456 CV     1
 ASSI {  721}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 39   and name HG1%)
      4.800     2.900     1.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.58648E-03 ppm1      8.013 ppm2      1.151 CV     1
 ASSI {  722}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      4.300     2.300     1.700 peak   722 spectrum    1 weight  0.10000E+01 volume  0.58365E-03 ppm1      9.242 ppm2      3.144 CV     1
 OR {  722}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  723}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.100     2.100     1.900 peak   723 spectrum    1 weight  0.10000E+01 volume  0.58365E-03 ppm1      7.634 ppm2      2.357 CV     1
 OR {  723}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG3 ))
 ASSI {  725}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG3 ))
      4.700     2.800     1.300 peak   725 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      6.942 ppm2      2.114 CV     1
 ASSI {  726}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.58083E-03 ppm1      8.014 ppm2      9.230 CV     1
 ASSI {  727}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      4.900     2.900     1.100 peak   727 spectrum    1 weight  0.10000E+01 volume  0.57989E-03 ppm1      9.246 ppm2      0.016 CV     1
 ASSI {  729}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.600     2.700     1.400 peak   729 spectrum    1 weight  0.10000E+01 volume  0.57801E-03 ppm1      8.683 ppm2      3.683 CV     1
 OR {  729}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  731}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.57706E-03 ppm1      7.591 ppm2      7.069 CV     1
 ASSI {  732}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      3.000     3.000     3.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.57425E-03 ppm1      8.357 ppm2      0.463 CV     1
 ASSI {  733}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      4.500     2.500     1.500 peak   733 spectrum    1 weight  0.10000E+01 volume  0.57330E-03 ppm1      7.668 ppm2      0.428 CV     1
 ASSI {  734}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      4.200     2.200     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.56953E-03 ppm1      9.245 ppm2      1.329 CV     1
 OR {  734}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  736}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     3.000     3.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.56671E-03 ppm1      7.414 ppm2      1.388 CV     1
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.56671E-03 ppm1      9.053 ppm2      4.095 CV     1
 ASSI {  738}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.800     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.56483E-03 ppm1      7.704 ppm2      8.767 CV     1
 ASSI {  741}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.500     2.500     1.500 peak   741 spectrum    1 weight  0.10000E+01 volume  0.55730E-03 ppm1      7.420 ppm2      2.399 CV     1
 ASSI {  742}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     1.700     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.55637E-03 ppm1      8.247 ppm2      4.377 CV     1
 ASSI {  745}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.55259E-03 ppm1      8.012 ppm2      3.160 CV     1
 ASSI {  746}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.54507E-03 ppm1      8.170 ppm2      4.065 CV     1
 ASSI {  747}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.54411E-03 ppm1      7.852 ppm2      3.160 CV     1
 ASSI {  750}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.53565E-03 ppm1      9.017 ppm2      4.847 CV     1
 ASSI {  751}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 9    and name HE3 ))
      3.900     1.900     1.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.53282E-03 ppm1      9.178 ppm2      7.102 CV     1
 ASSI {  752}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      3.400     1.500     1.500 peak   752 spectrum    1 weight  0.10000E+01 volume  0.52811E-03 ppm1      9.241 ppm2      0.703 CV     1
 ASSI {  753}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
      4.000     2.000     2.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.52717E-03 ppm1      7.852 ppm2      1.009 CV     1
 ASSI {  754}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      4.300     2.300     1.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.52623E-03 ppm1      8.416 ppm2      0.459 CV     1
 ASSI {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.100     2.100     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.52623E-03 ppm1      8.759 ppm2      4.451 CV     1
 ASSI {  757}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      3.100     3.100     2.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.52247E-03 ppm1      9.171 ppm2      0.733 CV     1
 ASSI {  759}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      4.400     2.400     1.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.52059E-03 ppm1      8.823 ppm2      0.555 CV     1
 ASSI {  760}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HD1%)
      4.800     2.800     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.52059E-03 ppm1      9.054 ppm2      0.016 CV     1
 ASSI {  761}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     1.500     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.51964E-03 ppm1      7.079 ppm2      8.828 CV     1
 ASSI {  762}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      4.500     2.500     1.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.51964E-03 ppm1      8.376 ppm2      2.372 CV     1
 ASSI {  764}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG3 ))
      4.500     2.500     1.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.51305E-03 ppm1      9.055 ppm2      2.212 CV     1
 OR {  764}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI {  768}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      5.000     3.100     1.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.50835E-03 ppm1      8.496 ppm2      3.033 CV     1
 ASSI {  769}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      4.200     2.300     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.50647E-03 ppm1      8.352 ppm2      3.281 CV     1
 ASSI {  770}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HG1%)
      4.100     2.100     1.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.50647E-03 ppm1      6.786 ppm2      1.074 CV     1
 ASSI {  771}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.600     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.50551E-03 ppm1      8.574 ppm2      4.438 CV     1
 ASSI {  772}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 9    and name HE3 ))
      3.900     1.900     1.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.50459E-03 ppm1      8.842 ppm2      7.106 CV     1
 ASSI {  773}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      4.200     2.200     1.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.50459E-03 ppm1      6.941 ppm2      4.231 CV     1
 ASSI {  774}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     1.700     1.700 peak   774 spectrum    1 weight  0.10000E+01 volume  0.50269E-03 ppm1      6.784 ppm2      5.726 CV     1
 ASSI {  775}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HG13))
      3.100     1.200     1.200 peak   775 spectrum    1 weight  0.10000E+01 volume  0.50176E-03 ppm1      8.714 ppm2      1.156 CV     1
 ASSI {  776}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak   776 spectrum    1 weight  0.10000E+01 volume  0.50176E-03 ppm1      8.712 ppm2      8.038 CV     1
 ASSI {  778}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.49801E-03 ppm1      7.873 ppm2      6.780 CV     1
 ASSI {  782}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      4.400     2.400     1.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.49045E-03 ppm1      9.175 ppm2      0.914 CV     1
 ASSI {  784}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      4.800     2.900     1.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.48293E-03 ppm1      7.847 ppm2      0.510 CV     1
 ASSI {  787}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   787 spectrum    1 weight  0.10000E+01 volume  0.48105E-03 ppm1      8.443 ppm2      9.025 CV     1
 ASSI {  790}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.200     2.200     1.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.47634E-03 ppm1      7.631 ppm2      0.731 CV     1
 ASSI {  793}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.900     3.900     2.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.47352E-03 ppm1      6.789 ppm2      0.904 CV     1
 ASSI {  796}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 59   and name HG1%)
      5.000     3.200     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.46973E-03 ppm1      9.237 ppm2      0.381 CV     1
 OR {  796}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 59   and name HG2%)
 ASSI {  797}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.500     1.600     1.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.46786E-03 ppm1      8.729 ppm2      3.753 CV     1
 ASSI {  799}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      4.500     2.500     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.46316E-03 ppm1      7.967 ppm2      1.198 CV     1
 ASSI {  800}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.700     2.800     1.300 peak   800 spectrum    1 weight  0.10000E+01 volume  0.46222E-03 ppm1      8.349 ppm2      2.771 CV     1
 ASSI {  801}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.45939E-03 ppm1      7.293 ppm2      0.734 CV     1
 ASSI {  802}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.44622E-03 ppm1      9.015 ppm2      1.955 CV     1
 ASSI {  803}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      4.000     2.000     2.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.44057E-03 ppm1      9.347 ppm2      1.865 CV     1
 OR {  803}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  804}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.900     1.900     1.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.44057E-03 ppm1      9.247 ppm2      0.843 CV     1
 ASSI {  806}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      5.200     3.300     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.44057E-03 ppm1      7.587 ppm2      0.011 CV     1
 ASSI {  810}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      4.300     2.300     1.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.42833E-03 ppm1      9.178 ppm2      0.994 CV     1
 ASSI {  811}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.42643E-03 ppm1      7.085 ppm2     10.010 CV     1
 ASSI {  815}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.42456E-03 ppm1      7.964 ppm2      1.821 CV     1
 ASSI {  816}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 5    and name HD3 ))
      3.200     3.200     2.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.42080E-03 ppm1      7.868 ppm2      3.801 CV     1
 ASSI {  817}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 67   and name HD2%)
      4.300     2.300     1.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.41796E-03 ppm1      8.278 ppm2      0.781 CV     1
 ASSI {  819}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 42   and name HG1%)
      3.200     3.200     2.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.41139E-03 ppm1      8.953 ppm2      1.085 CV     1
 ASSI {  826}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.600     2.700     1.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.39821E-03 ppm1      8.355 ppm2      7.759 CV     1
 ASSI {  834}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.600     1.600     1.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.36244E-03 ppm1      9.005 ppm2      2.561 CV     1
 ASSI {  835}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      5.200     3.400     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.35961E-03 ppm1      8.502 ppm2      0.887 CV     1
 ASSI {  838}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      4.700     2.700     1.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.35772E-03 ppm1      7.871 ppm2      1.737 CV     1
 ASSI {  839}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.35772E-03 ppm1      7.868 ppm2      8.576 CV     1
 ASSI {  842}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.35490E-03 ppm1      7.763 ppm2      8.257 CV     1
 ASSI {  844}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.700     1.700     1.700 peak   844 spectrum    1 weight  0.10000E+01 volume  0.35302E-03 ppm1      7.464 ppm2      3.854 CV     1
 ASSI {  846}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.700     2.800     1.300 peak   846 spectrum    1 weight  0.10000E+01 volume  0.34831E-03 ppm1      7.707 ppm2      5.463 CV     1
 ASSI {  849}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      4.200     2.200     1.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.34549E-03 ppm1      8.174 ppm2      2.202 CV     1
 OR {  849}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG3 ))
 ASSI {  850}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HB% )
      5.100     3.300     0.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.34455E-03 ppm1      7.295 ppm2      1.249 CV     1
 ASSI {  856}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.800     2.900     1.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.33326E-03 ppm1      7.955 ppm2      4.029 CV     1
 ASSI {  860}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
      4.600     2.600     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.32760E-03 ppm1      7.851 ppm2      2.975 CV     1
 ASSI {  862}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.000     2.000     2.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.32195E-03 ppm1      7.629 ppm2      3.162 CV     1
 ASSI {  864}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.800     2.800     1.200 peak   864 spectrum    1 weight  0.10000E+01 volume  0.31913E-03 ppm1      8.706 ppm2      5.029 CV     1
 ASSI {  865}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     2.300     1.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.31913E-03 ppm1      8.846 ppm2      7.665 CV     1
 ASSI {  866}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.700     2.800     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.31348E-03 ppm1      8.964 ppm2      8.599 CV     1
 ASSI {  867}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.000     3.100     1.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.31254E-03 ppm1      6.794 ppm2      4.457 CV     1
 ASSI {  875}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.500     2.500     1.500 peak   875 spectrum    1 weight  0.10000E+01 volume  0.28900E-03 ppm1      8.611 ppm2      1.411 CV     1
 ASSI {  876}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.28807E-03 ppm1      9.050 ppm2      1.953 CV     1
 OR {  876}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  878}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.300     2.300     1.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.27865E-03 ppm1      8.174 ppm2      0.711 CV     1
 ASSI {  880}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.600     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.27770E-03 ppm1      8.504 ppm2      8.244 CV     1
 ASSI {  882}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 42   and name HG1%)
      5.500     3.800     0.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.27677E-03 ppm1      8.753 ppm2      1.088 CV     1
 ASSI {  884}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.800     2.900     1.200 peak   884 spectrum    1 weight  0.10000E+01 volume  0.27206E-03 ppm1      9.245 ppm2      8.832 CV     1
 ASSI {  888}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.26263E-03 ppm1      8.417 ppm2      8.681 CV     1
 ASSI {  891}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      3.400     1.500     1.500 peak   891 spectrum    1 weight  0.10000E+01 volume  0.25606E-03 ppm1      9.243 ppm2      1.003 CV     1
 ASSI {  893}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      4.000     2.000     2.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.25042E-03 ppm1      7.705 ppm2      2.269 CV     1
 ASSI {  894}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      5.000     3.200     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.24947E-03 ppm1      8.273 ppm2      8.628 CV     1
 ASSI {  895}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      5.200     3.400     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.24852E-03 ppm1      7.696 ppm2      2.802 CV     1
 OR {  895}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD3 ))
 ASSI {  902}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      4.100     2.100     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.22310E-03 ppm1      8.511 ppm2      1.408 CV     1
 ASSI {  906}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 8    and name HB% )
      3.600     3.600     2.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.20900E-03 ppm1      8.230 ppm2      1.012 CV     1
 ASSI {  907}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.20804E-03 ppm1      9.175 ppm2      4.347 CV     1
 ASSI {  909}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.000     3.100     1.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.19958E-03 ppm1      9.347 ppm2      8.176 CV     1
 ASSI {  911}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.100     3.300     0.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.19299E-03 ppm1      8.028 ppm2      1.576 CV     1
 ASSI {  912}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.800     2.900     1.200 peak   912 spectrum    1 weight  0.10000E+01 volume  0.18452E-03 ppm1      8.499 ppm2      3.734 CV     1
 ASSI {  914}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.100     3.300     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.17888E-03 ppm1      8.841 ppm2      9.999 CV     1
 ASSI {  916}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.600     4.000     0.400 peak   916 spectrum    1 weight  0.10000E+01 volume  0.17321E-03 ppm1      7.462 ppm2      8.665 CV     1
 ASSI {  917}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      5.200     3.400     0.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.17039E-03 ppm1      8.969 ppm2      2.744 CV     1
 ASSI {  918}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.700     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.16944E-03 ppm1      8.285 ppm2      0.895 CV     1
 ASSI {  919}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      5.300     3.500     0.700 peak   919 spectrum    1 weight  0.10000E+01 volume  0.16662E-03 ppm1      9.248 ppm2      8.185 CV     1
 ASSI {  925}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      5.400     3.700     0.600 peak   925 spectrum    1 weight  0.10000E+01 volume  0.14403E-03 ppm1      7.959 ppm2      8.696 CV     1
 ASSI {  928}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      5.700     4.000     0.300 peak   928 spectrum    1 weight  0.10000E+01 volume  0.14121E-03 ppm1      7.839 ppm2      2.349 CV     1
 ASSI {  930}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
      6.000     4.600     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13649E-03 ppm1      8.020 ppm2      0.991 CV     1
 ASSI {  931}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
      3.800     3.800     2.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.13649E-03 ppm1      7.854 ppm2      2.184 CV     1
 ASSI {  938}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.400     3.700     0.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.11107E-03 ppm1      9.386 ppm2      8.683 CV     1
 ASSI {  942}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.500     3.800     0.500 peak   942 spectrum    1 weight  0.10000E+01 volume  0.10732E-03 ppm1      8.009 ppm2      4.584 CV     1
 ASSI {  944}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.500     3.700     0.500 peak   944 spectrum    1 weight  0.10000E+01 volume  0.10637E-03 ppm1      9.019 ppm2      8.823 CV     1
 ASSI {  946}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.800     4.300     0.200 peak   946 spectrum    1 weight  0.10000E+01 volume  0.10355E-03 ppm1      8.265 ppm2      1.614 CV     1
 ASSI {  951}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.100     3.300     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.96974E-04 ppm1      8.842 ppm2      9.360 CV     1
 ASSI {  955}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.500     3.800     0.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.88301E-04 ppm1      9.358 ppm2      8.673 CV     1
 ASSI {  959}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      5.500     3.800     0.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.82649E-04 ppm1      8.015 ppm2      4.144 CV     1
 ASSI {  967}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      6.000     4.600     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.61753E-04 ppm1      8.390 ppm2      2.171 CV     1
 ASSI {  975}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 29   and name HD2%)
      6.000     6.000     0.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.77200E-05 ppm1      8.003 ppm2      0.863 CV     1
 ASSI {  979}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 39   and name HB  ))
      5.600     3.900     0.400 peak   979 spectrum    1 weight  0.10000E+01 volume  0.65053E-04 ppm1     10.263 ppm2      2.561 CV     1
 ASSI {  981}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.600     0.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.19109E-03 ppm1     10.263 ppm2      4.285 CV     1
 ASSI {  985}
   (( segid "    " and resid 9    and name HE1 ))
   (  segid "    " and resid 39   and name HG1%)
      4.000     2.000     2.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.86039E-03 ppm1     10.262 ppm2      1.152 CV     1
 ASSI {  988}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak   988 spectrum    1 weight  0.10000E+01 volume  0.44246E-03 ppm1     10.262 ppm2      4.009 CV     1
 ASSI {  994}
   (( segid "    " and resid 9    and name HE1 ))
   (  segid "    " and resid 39   and name HG2%)
      3.900     1.900     1.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.28243E-03 ppm1     10.261 ppm2      0.697 CV     1
 ASSI {  995}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 3    and name HB3 ))
      4.800     2.900     1.200 peak   995 spectrum    1 weight  0.10000E+01 volume  0.70503E-04 ppm1     10.260 ppm2      2.796 CV     1
 ASSI {  996}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     5.200     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.67030E-04 ppm1     10.259 ppm2      9.231 CV     1
 ASSI {  997}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 49   and name HG1%)
      4.500     2.500     1.500 peak   997 spectrum    1 weight  0.10000E+01 volume  0.25888E-03 ppm1     10.001 ppm2      0.736 CV     1
 ASSI { 1001}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.22310E-02 ppm1     10.000 ppm2      1.760 CV     1
 ASSI { 1003}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.300     1.400     1.400 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.38501E-03 ppm1     10.000 ppm2      1.818 CV     1
 ASSI { 1005}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG2 ))
      4.700     2.700     1.300 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.16662E-03 ppm1     10.000 ppm2      1.326 CV     1
 OR { 1005}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 1009}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.15721E-03 ppm1      9.999 ppm2      4.836 CV     1
 ASSI {   30}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      1.400     1.400     4.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.16697E+00 ppm1      1.951 ppm2      3.904 CV     1
 ASSI {   34}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 51   and name HD1%)
      1.400     0.300     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.14370E+00 ppm1      1.331 ppm2      0.013 CV     1
 OR {   34}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 51   and name HD1%)
 ASSI {   41}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 70   and name HD1%)
      1.700     1.700     4.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.12177E+00 ppm1      0.455 ppm2      0.914 CV     1
 ASSI {   50}
   (( segid "    " and resid 2    and name HG3 ))
   (( segid "    " and resid 2    and name HB3 ))
      1.600     0.300     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.10364E+00 ppm1      2.160 ppm2      1.863 CV     1
 OR {   50}
   (( segid "    " and resid 2    and name HG3 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {   71}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB3 ))
      1.600     0.300     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.76766E-01 ppm1      2.210 ppm2      1.954 CV     1
 OR {   71}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HB3 ))
 ASSI {   81}
   (  segid "    " and resid 67   and name HD2%)
   (  segid "    " and resid 67   and name HD1%)
      1.700     0.400     0.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.66472E-01 ppm1      0.774 ppm2      0.959 CV     1
 ASSI {   83}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 48   and name HG2 ))
      2.000     2.000     4.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.64009E-01 ppm1      0.417 ppm2      1.433 CV     1
 ASSI {  103}
   (( segid "    " and resid 68   and name HG13))
   (( segid "    " and resid 68   and name HN  ))
      1.400     0.300     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.52823E-01 ppm1      1.889 ppm2      7.775 CV     1
 OR {  103}
   (( segid "    " and resid 68   and name HG12))
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  112}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      1.700     0.400     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.46780E-01 ppm1      0.703 ppm2      1.311 CV     1
 OR {  112}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  124}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 65   and name HD2%)
      2.300     2.300     3.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.40736E-01 ppm1      1.323 ppm2      0.021 CV     1
 ASSI {  133}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HB3 ))
      1.700     1.700     4.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.33574E-01 ppm1      1.256 ppm2      1.737 CV     1
 OR {  133}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  135}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HA  ))
      1.800     0.400     0.400 peak   135 spectrum    1 weight  0.10000E+01 volume  0.32679E-01 ppm1      2.987 ppm2      3.181 CV     1
 OR {  135}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  145}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HG2 ))
      1.900     0.500     0.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.29991E-01 ppm1      1.797 ppm2      2.208 CV     1
 OR {  145}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG3 ))
 OR {  145}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG2 ))
 OR {  145}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HG3 ))
 ASSI {  146}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
      1.800     0.400     0.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.29771E-01 ppm1      3.246 ppm2      4.109 CV     1
 OR {  146}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  157}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HA1 ))
      1.300     0.200     0.900 peak   157 spectrum    1 weight  0.10000E+01 volume  0.27529E-01 ppm1      3.419 ppm2      4.176 CV     1
 ASSI {  168}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 32   and name HB3 ))
      2.000     0.500     0.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.25070E-01 ppm1      0.929 ppm2      1.552 CV     1
 OR {  168}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
 ASSI {  174}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      1.600     0.300     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23055E-01 ppm1      2.511 ppm2      2.566 CV     1
 ASSI {  175}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      1.800     0.400     0.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.22830E-01 ppm1      0.455 ppm2      7.479 CV     1
 ASSI {  177}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HG  ))
      1.800     0.400     0.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.22607E-01 ppm1      0.775 ppm2      1.786 CV     1
 OR {  177}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  179}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG2%)
      1.900     0.500     0.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.22271E-01 ppm1      1.640 ppm2      0.403 CV     1
 OR {  179}
   (( segid "    " and resid 59   and name HB  ))
   (  segid "    " and resid 59   and name HG1%)
 ASSI {  184}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
      1.900     0.500     0.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.21420E-01 ppm1      1.422 ppm2      4.449 CV     1
 ASSI {  189}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.20434E-01 ppm1      3.906 ppm2      5.265 CV     1
 ASSI {  192}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 60   and name HG  ))
      1.900     0.500     0.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.20075E-01 ppm1      0.437 ppm2      1.306 CV     1
 OR {  192}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  194}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
      1.800     0.400     0.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.19360E-01 ppm1      0.455 ppm2      1.904 CV     1
 ASSI {  196}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.100     0.500     0.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.18868E-01 ppm1      4.516 ppm2      2.840 CV     1
 OR {  196}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  199}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB3 ))
      1.600     0.300     0.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.18465E-01 ppm1      1.574 ppm2      1.741 CV     1
 ASSI {  202}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB3 ))
      1.600     0.300     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.18309E-01 ppm1      1.872 ppm2      2.386 CV     1
 ASSI {  205}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
      2.000     0.500     0.500 peak   205 spectrum    1 weight  0.10000E+01 volume  0.18152E-01 ppm1      2.158 ppm2      0.902 CV     1
 OR {  205}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {  210}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HA1 ))
      1.700     0.400     0.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17681E-01 ppm1      3.558 ppm2      4.253 CV     1
 ASSI {  211}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      1.600     0.300     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.17570E-01 ppm1      3.720 ppm2      7.406 CV     1
 ASSI {  212}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.100     0.500     0.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.17527E-01 ppm1      1.861 ppm2      2.162 CV     1
 OR {  212}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
 OR {  212}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HG3 ))
 OR {  212}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG3 ))
 ASSI {  219}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB3 ))
      1.600     0.300     0.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.16495E-01 ppm1      1.951 ppm2      2.293 CV     1
 ASSI {  222}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.000     0.500     0.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.15623E-01 ppm1      3.195 ppm2      1.702 CV     1
 OR {  222}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  222}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  222}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  223}
   (  segid "    " and resid 27   and name HD2%)
   (  segid "    " and resid 27   and name HD1%)
      2.100     0.500     0.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15623E-01 ppm1      0.775 ppm2      1.006 CV     1
 ASSI {  225}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     3.000     3.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.15600E-01 ppm1      2.189 ppm2      4.805 CV     1
 ASSI {  226}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 25   and name HD3 ))
      2.000     0.500     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15600E-01 ppm1      2.842 ppm2      1.571 CV     1
 OR {  226}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  226}
   (( segid "    " and resid 25   and name HE2 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR {  226}
   (( segid "    " and resid 25   and name HE3 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI {  230}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      1.900     0.500     0.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.14929E-01 ppm1      5.450 ppm2      9.048 CV     1
 ASSI {  234}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      1.800     0.400     0.400 peak   234 spectrum    1 weight  0.10000E+01 volume  0.14392E-01 ppm1      2.395 ppm2      2.754 CV     1
 ASSI {  240}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG1%)
      2.200     0.600     0.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.13833E-01 ppm1      4.199 ppm2      0.854 CV     1
 OR {  240}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
 ASSI {  242}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.500     0.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.13608E-01 ppm1      0.455 ppm2      4.339 CV     1
 ASSI {  245}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HA2 ))
      1.800     0.400     0.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.13296E-01 ppm1      4.453 ppm2      3.548 CV     1
 ASSI {  249}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HB  ))
      2.000     0.500     0.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.13093E-01 ppm1      0.687 ppm2      2.563 CV     1
 ASSI {  250}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD1%)
      2.000     0.500     0.500 peak   250 spectrum    1 weight  0.10000E+01 volume  0.13050E-01 ppm1      1.628 ppm2      0.917 CV     1
 OR {  250}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI {  251}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 65   and name HD1%)
      2.100     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.13027E-01 ppm1      0.024 ppm2      0.263 CV     1
 ASSI {  253}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB3 ))
      2.100     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12960E-01 ppm1      2.361 ppm2      2.056 CV     1
 OR {  253}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  253}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {  253}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  254}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.300     0.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12960E-01 ppm1      1.527 ppm2      1.311 CV     1
 ASSI {  256}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 66   and name HA  ))
      2.200     0.600     0.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.12826E-01 ppm1      1.422 ppm2      4.259 CV     1
 ASSI {  257}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
      1.700     0.300     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.12736E-01 ppm1      1.552 ppm2      1.684 CV     1
 ASSI {  268}
   (( segid "    " and resid 51   and name HG12))
   (( segid "    " and resid 58   and name HB3 ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.11886E-01 ppm1      0.696 ppm2      1.342 CV     1
 OR {  268}
   (( segid "    " and resid 51   and name HG12))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  271}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HG3 ))
      1.800     0.400     0.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.11528E-01 ppm1      2.002 ppm2      2.187 CV     1
 ASSI {  275}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 42   and name HB  ))
      2.100     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.11281E-01 ppm1      1.071 ppm2      1.942 CV     1
 ASSI {  278}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      2.300     0.600     0.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.11034E-01 ppm1      4.078 ppm2      1.362 CV     1
 ASSI {  281}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG3 ))
      2.200     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.10923E-01 ppm1      1.820 ppm2      1.591 CV     1
 OR {  281}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  282}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10834E-01 ppm1      1.331 ppm2      4.706 CV     1
 OR {  282}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  285}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      2.400     0.700     0.700 peak   285 spectrum    1 weight  0.10000E+01 volume  0.10565E-01 ppm1      4.291 ppm2      0.887 CV     1
 OR {  285}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  286}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      1.800     0.400     0.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.10565E-01 ppm1      1.736 ppm2      1.940 CV     1
 ASSI {  287}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 51   and name HG2%)
      2.100     0.600     0.600 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10565E-01 ppm1      0.021 ppm2      0.553 CV     1
 ASSI {  289}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB  ))
      2.000     0.500     0.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.10520E-01 ppm1      4.437 ppm2      1.656 CV     1
 ASSI {  296}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      2.100     0.500     0.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.10273E-01 ppm1      0.612 ppm2      8.949 CV     1
 ASSI {  297}
   (  segid "    " and resid 40   and name HG1%)
   (( segid "    " and resid 40   and name HB  ))
      2.100     0.600     0.600 peak   297 spectrum    1 weight  0.10000E+01 volume  0.10207E-01 ppm1      0.838 ppm2      1.801 CV     1
 OR {  297}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HB  ))
 ASSI {  299}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.10140E-01 ppm1      4.261 ppm2      4.017 CV     1
 ASSI {  300}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB2 ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.788 ppm2      1.334 CV     1
 OR {  300}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  303}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HA1 ))
      1.800     0.400     0.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.97147E-02 ppm1      3.482 ppm2      4.270 CV     1
 ASSI {  307}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.200     0.600     0.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.96025E-02 ppm1      1.215 ppm2      1.711 CV     1
 OR {  307}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  307}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  307}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  308}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
      2.300     0.700     0.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.95805E-02 ppm1      3.936 ppm2      0.615 CV     1
 ASSI {  312}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      1.800     0.400     0.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.92659E-02 ppm1      2.032 ppm2      2.185 CV     1
 ASSI {  313}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HD3 ))
      1.800     0.400     0.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.91548E-02 ppm1      3.906 ppm2      3.961 CV     1
 ASSI {  316}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.90213E-02 ppm1      1.235 ppm2      4.125 CV     1
 ASSI {  321}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 60   and name HD1%)
      2.400     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.87512E-02 ppm1      0.437 ppm2      0.717 CV     1
 ASSI {  322}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 49   and name HG1%)
      2.200     0.600     0.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.87512E-02 ppm1      0.023 ppm2      0.741 CV     1
 ASSI {  323}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.87292E-02 ppm1      4.168 ppm2      1.879 CV     1
 OR {  323}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  324}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HG13))
      2.100     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.86401E-02 ppm1      0.711 ppm2      1.893 CV     1
 OR {  324}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HG12))
 ASSI {  327}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      2.200     0.600     0.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.85719E-02 ppm1      4.291 ppm2      0.902 CV     1
 ASSI {  330}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      2.200     0.600     0.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.83938E-02 ppm1      0.886 ppm2      0.730 CV     1
 ASSI {  333}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG  ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.83041E-02 ppm1      1.939 ppm2      1.669 CV     1
 ASSI {  335}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.700     0.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.82804E-02 ppm1      0.612 ppm2      4.246 CV     1
 ASSI {  336}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HG3 ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.82590E-02 ppm1      2.803 ppm2      1.236 CV     1
 OR {  336}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG3 ))
 OR {  336}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HG2 ))
 OR {  336}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  338}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.82370E-02 ppm1      3.996 ppm2      8.502 CV     1
 ASSI {  340}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
      2.000     2.000     4.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.82145E-02 ppm1      4.435 ppm2      3.806 CV     1
 ASSI {  341}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     2.700     3.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.82145E-02 ppm1      3.041 ppm2      1.769 CV     1
 OR {  341}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  342}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.81688E-02 ppm1      3.836 ppm2      1.397 CV     1
 ASSI {  343}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 70   and name HD1%)
      2.500     2.500     3.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.81480E-02 ppm1      1.820 ppm2      0.914 CV     1
 OR {  343}
   (( segid "    " and resid 11   and name HG13))
   (  segid "    " and resid 70   and name HD1%)
 ASSI {  344}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 70   and name HD2%)
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.81480E-02 ppm1      0.895 ppm2      0.742 CV     1
 ASSI {  346}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.600     0.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.80797E-02 ppm1      4.292 ppm2      8.025 CV     1
 ASSI {  348}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 73   and name HB  ))
      2.200     0.600     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.80132E-02 ppm1      0.600 ppm2      1.592 CV     1
 ASSI {  349}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.500     0.500 peak   349 spectrum    1 weight  0.10000E+01 volume  0.80132E-02 ppm1      3.720 ppm2      8.597 CV     1
 ASSI {  350}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.79230E-02 ppm1      1.395 ppm2      4.342 CV     1
 ASSI {  351}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 49   and name HG1%)
      2.200     0.600     0.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.79016E-02 ppm1      0.254 ppm2      0.730 CV     1
 ASSI {  353}
   (  segid "    " and resid 49   and name HG2%)
   (  segid "    " and resid 49   and name HG1%)
      2.200     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.78571E-02 ppm1      0.612 ppm2      0.737 CV     1
 ASSI {  355}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.77888E-02 ppm1      2.809 ppm2      1.702 CV     1
 OR {  355}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  355}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR {  355}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB3 ))
 ASSI {  357}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.600     0.300     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.77223E-02 ppm1      4.105 ppm2      3.734 CV     1
 ASSI {  359}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      1.800     0.400     0.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.76998E-02 ppm1      2.816 ppm2      3.046 CV     1
 ASSI {  361}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.600     0.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.76766E-02 ppm1      4.306 ppm2      4.776 CV     1
 ASSI {  365}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.900     0.400     0.400 peak   365 spectrum    1 weight  0.10000E+01 volume  0.75211E-02 ppm1      2.331 ppm2      1.966 CV     1
 ASSI {  367}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.74320E-02 ppm1      1.738 ppm2      0.907 CV     1
 OR {  367}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  369}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.74083E-02 ppm1      0.253 ppm2      1.301 CV     1
 ASSI {  370}
   (  segid "    " and resid 67   and name HD1%)
   (( segid "    " and resid 67   and name HG  ))
      2.300     0.700     0.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.73632E-02 ppm1      0.937 ppm2      1.851 CV     1
 ASSI {  371}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HB  ))
      2.100     0.600     0.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.73187E-02 ppm1      0.739 ppm2      1.761 CV     1
 ASSI {  372}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      2.300     0.600     0.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.72735E-02 ppm1      1.933 ppm2      0.908 CV     1
 ASSI {  374}
   (  segid "    " and resid 42   and name HG1%)
   (  segid "    " and resid 42   and name HG2%)
      2.400     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.72296E-02 ppm1      1.072 ppm2      0.913 CV     1
 ASSI {  375}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.72070E-02 ppm1      1.596 ppm2      4.280 CV     1
 ASSI {  377}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      2.400     0.700     0.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.71857E-02 ppm1      4.343 ppm2      1.869 CV     1
 OR {  377}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  378}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD2%)
      2.300     0.600     0.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.71857E-02 ppm1      1.184 ppm2      0.036 CV     1
 ASSI {  379}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   379 spectrum    1 weight  0.10000E+01 volume  0.71625E-02 ppm1      3.936 ppm2      8.221 CV     1
 ASSI {  380}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HD2 ))
      2.300     0.700     0.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.71400E-02 ppm1      1.025 ppm2      2.978 CV     1
 OR {  380}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HD3 ))
 ASSI {  382}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HG3 ))
      2.000     0.500     0.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.70284E-02 ppm1      1.423 ppm2      1.800 CV     1
 OR {  382}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
 OR {  382}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  387}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HD1%)
      2.300     0.600     0.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.68265E-02 ppm1      1.859 ppm2      0.739 CV     1
 ASSI {  390}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.200     0.600     0.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.68045E-02 ppm1      0.886 ppm2      1.994 CV     1
 ASSI {  393}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      2.400     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.68045E-02 ppm1      4.210 ppm2      1.007 CV     1
 ASSI {  394}
   (( segid "    " and resid 58   and name HB3 ))
   (  segid "    " and resid 58   and name HD2%)
      2.400     0.700     0.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.67594E-02 ppm1      1.327 ppm2      0.723 CV     1
 OR {  394}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 58   and name HD2%)
 ASSI {  395}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      1.700     0.400     0.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.67149E-02 ppm1      1.771 ppm2      1.359 CV     1
 ASSI {  398}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
      2.400     0.700     0.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.66027E-02 ppm1      1.236 ppm2      4.316 CV     1
 ASSI {  401}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.65588E-02 ppm1      3.910 ppm2      4.802 CV     1
 ASSI {  402}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HG3 ))
      1.900     0.400     0.400 peak   402 spectrum    1 weight  0.10000E+01 volume  0.65588E-02 ppm1      1.031 ppm2      1.115 CV     1
 ASSI {  403}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HG2 ))
      1.900     0.400     0.400 peak   403 spectrum    1 weight  0.10000E+01 volume  0.64905E-02 ppm1      1.765 ppm2      1.431 CV     1
 ASSI {  404}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.64460E-02 ppm1      1.902 ppm2      1.618 CV     1
 OR {  404}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {  408}
   (  segid "    " and resid 66   and name HB% )
   (( segid "    " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.63795E-02 ppm1      1.420 ppm2      4.042 CV     1
 ASSI {  410}
   (  segid "    " and resid 67   and name HD2%)
   (( segid "    " and resid 67   and name HG  ))
      2.300     0.700     0.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.62667E-02 ppm1      0.774 ppm2      1.851 CV     1
 ASSI {  411}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB3 ))
      1.900     0.500     0.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.62667E-02 ppm1      1.389 ppm2      1.782 CV     1
 OR {  411}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HG  ))
 ASSI {  412}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HE3 ))
      2.500     0.800     0.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.62447E-02 ppm1      1.256 ppm2      2.848 CV     1
 OR {  412}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HE2 ))
 OR {  412}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HE3 ))
 OR {  412}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HE2 ))
 ASSI {  413}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB3 ))
      2.600     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.62447E-02 ppm1      0.929 ppm2      1.939 CV     1
 ASSI {  417}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.300     0.700     0.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.62228E-02 ppm1      3.842 ppm2      1.786 CV     1
 OR {  417}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG  ))
 ASSI {  420}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 60   and name HD2%)
      2.300     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.61551E-02 ppm1      1.323 ppm2      0.437 CV     1
 ASSI {  424}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.700     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.60429E-02 ppm1      3.801 ppm2      2.062 CV     1
 OR {  424}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  426}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.59989E-02 ppm1      1.017 ppm2      5.230 CV     1
 ASSI {  428}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB3 ))
      2.300     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.59989E-02 ppm1      4.264 ppm2      2.381 CV     1
 ASSI {  430}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.400     0.700     0.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.59538E-02 ppm1      4.024 ppm2      1.735 CV     1
 ASSI {  432}
   (  segid "    " and resid 39   and name HG2%)
   (  segid "    " and resid 39   and name HG1%)
      2.400     0.700     0.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.58195E-02 ppm1      0.693 ppm2      1.169 CV     1
 ASSI {  436}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB3 ))
      2.000     0.500     0.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.57524E-02 ppm1      2.758 ppm2      3.281 CV     1
 ASSI {  438}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.57075E-02 ppm1      5.902 ppm2      3.691 CV     1
 OR {  438}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI {  439}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.56852E-02 ppm1      1.903 ppm2      4.339 CV     1
 OR {  439}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  440}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 11   and name HG2%)
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.10000E+01 volume  0.56852E-02 ppm1      0.791 ppm2      0.471 CV     1
 ASSI {  441}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.200     0.600     0.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.56628E-02 ppm1      4.111 ppm2      2.340 CV     1
 ASSI {  442}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      2.900     2.900     3.100 peak   442 spectrum    1 weight  0.10000E+01 volume  0.56404E-02 ppm1      1.692 ppm2      0.782 CV     1
 ASSI {  444}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 48   and name HD2 ))
      1.900     0.500     0.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.56404E-02 ppm1      3.445 ppm2      3.312 CV     1
 ASSI {  445}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      2.500     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.56179E-02 ppm1      3.850 ppm2      0.472 CV     1
 ASSI {  447}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.900     1.100     1.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.56179E-02 ppm1      4.633 ppm2      2.757 CV     1
 ASSI {  448}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      1.900     0.400     0.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.55955E-02 ppm1      1.301 ppm2      1.727 CV     1
 ASSI {  449}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.500     1.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.55955E-02 ppm1      0.568 ppm2      3.762 CV     1
 ASSI {  450}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.900     0.500     0.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.55733E-02 ppm1      1.595 ppm2      1.467 CV     1
 ASSI {  451}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.55733E-02 ppm1      3.847 ppm2      8.417 CV     1
 ASSI {  456}
   (( segid "    " and resid 30   and name HA1 ))
   (  segid "    " and resid 32   and name HD1%)
      2.400     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.55061E-02 ppm1      4.230 ppm2      0.922 CV     1
 ASSI {  459}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.54614E-02 ppm1      1.233 ppm2      4.777 CV     1
 ASSI {  462}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.200     0.600     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.54390E-02 ppm1      3.298 ppm2      1.435 CV     1
 ASSI {  463}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.54166E-02 ppm1      0.886 ppm2      4.075 CV     1
 ASSI {  464}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.54166E-02 ppm1      1.861 ppm2      4.722 CV     1
 OR {  464}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  469}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 46   and name HA2 ))
      3.200     3.200     2.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.53942E-02 ppm1      1.070 ppm2      3.509 CV     1
 ASSI {  472}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG3 ))
      1.900     0.500     0.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.53271E-02 ppm1      0.504 ppm2      1.032 CV     1
 ASSI {  475}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.53046E-02 ppm1      4.207 ppm2      4.532 CV     1
 ASSI {  476}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.53046E-02 ppm1      4.036 ppm2      4.754 CV     1
 ASSI {  478}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.52599E-02 ppm1      4.168 ppm2      3.987 CV     1
 OR {  478}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
 ASSI {  480}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.52376E-02 ppm1      1.192 ppm2      4.739 CV     1
 ASSI {  481}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 59   and name HG1%)
      2.800     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.52376E-02 ppm1      1.853 ppm2      0.427 CV     1
 OR {  481}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 59   and name HG1%)
 ASSI {  483}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
      2.200     0.600     0.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.52376E-02 ppm1      1.743 ppm2      0.612 CV     1
 ASSI {  484}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.52153E-02 ppm1      1.323 ppm2      0.731 CV     1
 ASSI {  485}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HG  ))
      2.400     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.52153E-02 ppm1      0.999 ppm2      1.775 CV     1
 OR {  485}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  486}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     2.600     3.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.52153E-02 ppm1      4.264 ppm2      8.386 CV     1
 ASSI {  487}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.51926E-02 ppm1      4.024 ppm2      1.589 CV     1
 ASSI {  490}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.600     3.600     2.400 peak   490 spectrum    1 weight  0.10000E+01 volume  0.51480E-02 ppm1      4.052 ppm2      1.785 CV     1
 ASSI {  492}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     2.700     3.300 peak   492 spectrum    1 weight  0.10000E+01 volume  0.51255E-02 ppm1      5.722 ppm2      4.856 CV     1
 ASSI {  497}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 68   and name HD1%)
      2.400     0.700     0.700 peak   497 spectrum    1 weight  0.10000E+01 volume  0.50585E-02 ppm1      1.184 ppm2      0.723 CV     1
 ASSI {  498}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      3.200     3.200     2.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.50585E-02 ppm1      0.791 ppm2      1.304 CV     1
 ASSI {  499}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.50585E-02 ppm1      2.499 ppm2      6.779 CV     1
 ASSI {  502}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.50360E-02 ppm1      1.700 ppm2      4.481 CV     1
 OR {  502}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI {  503}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.50138E-02 ppm1      0.936 ppm2      3.597 CV     1
 ASSI {  505}
   (( segid "    " and resid 68   and name HG13))
   (  segid "    " and resid 68   and name HG2%)
      2.600     0.800     0.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.50138E-02 ppm1      1.889 ppm2      0.890 CV     1
 OR {  505}
   (( segid "    " and resid 68   and name HG12))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  507}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HG  ))
      2.300     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.49914E-02 ppm1      0.253 ppm2      1.181 CV     1
 ASSI {  508}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.49914E-02 ppm1      1.072 ppm2      4.496 CV     1
 ASSI {  509}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      3.500     1.500     1.500 peak   509 spectrum    1 weight  0.10000E+01 volume  0.49914E-02 ppm1      3.841 ppm2      0.989 CV     1
 ASSI {  513}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.49689E-02 ppm1      1.857 ppm2      0.902 CV     1
 ASSI {  514}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.49466E-02 ppm1      3.197 ppm2      1.878 CV     1
 OR {  514}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  514}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  514}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  516}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
      2.600     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.48794E-02 ppm1      0.874 ppm2      1.752 CV     1
 ASSI {  522}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.48122E-02 ppm1      0.703 ppm2      4.743 CV     1
 ASSI {  524}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.48122E-02 ppm1      4.262 ppm2      4.786 CV     1
 ASSI {  525}
   (( segid "    " and resid 51   and name HG13))
   (  segid "    " and resid 51   and name HD1%)
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.47899E-02 ppm1      1.146 ppm2      0.028 CV     1
 ASSI {  528}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG3 ))
      2.600     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.47899E-02 ppm1      4.332 ppm2      1.569 CV     1
 OR {  528}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  529}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.47899E-02 ppm1      0.254 ppm2      3.764 CV     1
 ASSI {  530}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.000     0.500     0.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.47451E-02 ppm1      4.273 ppm2      4.051 CV     1
 ASSI {  534}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.47228E-02 ppm1      1.901 ppm2      1.418 CV     1
 OR {  534}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  540}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.000     0.500     0.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.46109E-02 ppm1      1.201 ppm2      2.670 CV     1
 ASSI {  542}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      4.232 ppm2      8.943 CV     1
 ASSI {  543}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.45661E-02 ppm1      4.264 ppm2      1.874 CV     1
 ASSI {  545}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.45436E-02 ppm1      4.520 ppm2      1.008 CV     1
 ASSI {  547}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.600     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.45436E-02 ppm1      4.845 ppm2      2.547 CV     1
 OR {  547}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  548}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.600     0.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.45211E-02 ppm1      4.438 ppm2      5.047 CV     1
 ASSI {  551}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.700     0.900     0.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.44541E-02 ppm1      4.429 ppm2      3.003 CV     1
 OR {  551}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  552}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.44541E-02 ppm1      3.850 ppm2      1.867 CV     1
 OR {  552}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  555}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.44318E-02 ppm1      1.949 ppm2      1.598 CV     1
 OR {  555}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  560}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 71   and name HB3 ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.43869E-02 ppm1      0.993 ppm2      1.879 CV     1
 OR {  560}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  561}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.43869E-02 ppm1      3.253 ppm2      1.775 CV     1
 OR {  561}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG3 ))
 OR {  561}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG2 ))
 OR {  561}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI {  566}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.43421E-02 ppm1      4.696 ppm2      9.360 CV     1
 ASSI {  573}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.000     0.500     0.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.42527E-02 ppm1      1.692 ppm2      1.970 CV     1
 ASSI {  575}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.42303E-02 ppm1      4.484 ppm2      7.875 CV     1
 ASSI {  576}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.42303E-02 ppm1      3.999 ppm2      4.774 CV     1
 ASSI {  577}
   (  segid "    " and resid 27   and name HD2%)
   (( segid "    " and resid 32   and name HG  ))
      2.300     0.700     0.700 peak   577 spectrum    1 weight  0.10000E+01 volume  0.42303E-02 ppm1      0.781 ppm2      1.629 CV     1
 ASSI {  583}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
      2.300     0.700     0.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.41854E-02 ppm1      5.723 ppm2      1.849 CV     1
 OR {  583}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  586}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.41407E-02 ppm1      1.322 ppm2      4.725 CV     1
 ASSI {  589}
   (  segid "    " and resid 8    and name HB% )
   (  segid "    " and resid 73   and name HG1%)
      2.600     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.41185E-02 ppm1      1.017 ppm2      0.618 CV     1
 ASSI {  591}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HA  ))
      2.300     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.40736E-02 ppm1      1.528 ppm2      3.768 CV     1
 ASSI {  592}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 51   and name HD1%)
      2.900     2.900     3.100 peak   592 spectrum    1 weight  0.10000E+01 volume  0.40736E-02 ppm1      0.784 ppm2      0.013 CV     1
 ASSI {  596}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     2.700     3.300 peak   596 spectrum    1 weight  0.10000E+01 volume  0.40513E-02 ppm1      2.733 ppm2      4.751 CV     1
 OR {  596}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  600}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   600 spectrum    1 weight  0.10000E+01 volume  0.40065E-02 ppm1      3.967 ppm2      4.806 CV     1
 ASSI {  603}
   (( segid "    " and resid 51   and name HG13))
   (( segid "    " and resid 51   and name HB  ))
      2.200     0.600     0.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.39170E-02 ppm1      1.146 ppm2      1.673 CV     1
 ASSI {  606}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.300     0.600     0.600 peak   606 spectrum    1 weight  0.10000E+01 volume  0.38723E-02 ppm1      3.907 ppm2      2.290 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.38723E-02 ppm1      3.714 ppm2      4.794 CV     1
 ASSI {  609}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.800     0.900     0.900 peak   609 spectrum    1 weight  0.10000E+01 volume  0.38723E-02 ppm1      3.445 ppm2      1.438 CV     1
 ASSI {  610}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB3 ))
      2.100     0.500     0.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.38723E-02 ppm1      1.393 ppm2      1.620 CV     1
 ASSI {  611}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HG13))
      3.200     1.300     1.300 peak   611 spectrum    1 weight  0.10000E+01 volume  0.38498E-02 ppm1      0.544 ppm2      1.165 CV     1
 ASSI {  616}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.38275E-02 ppm1      4.549 ppm2      0.903 CV     1
 OR {  616}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI {  618}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
      2.800     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.38275E-02 ppm1      1.301 ppm2      0.553 CV     1
 OR {  618}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
 ASSI {  622}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 11   and name HD1%)
      2.400     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.37378E-02 ppm1      1.823 ppm2      0.793 CV     1
 OR {  622}
   (( segid "    " and resid 11   and name HG13))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  623}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
      2.400     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.37378E-02 ppm1      4.793 ppm2      3.817 CV     1
 ASSI {  626}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.37378E-02 ppm1      0.739 ppm2      8.775 CV     1
 ASSI {  628}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.37157E-02 ppm1      0.705 ppm2      3.952 CV     1
 ASSI {  631}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HG2 ))
      2.900     2.900     3.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.37157E-02 ppm1      0.710 ppm2      0.516 CV     1
 ASSI {  633}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.500     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.36931E-02 ppm1      4.607 ppm2      1.558 CV     1
 ASSI {  636}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      2.600     0.800     0.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.36483E-02 ppm1      4.564 ppm2      2.821 CV     1
 OR {  636}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  641}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HG3 ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.36260E-02 ppm1      3.298 ppm2      1.794 CV     1
 ASSI {  644}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.35813E-02 ppm1      0.027 ppm2      3.766 CV     1
 ASSI {  646}
   (  segid "    " and resid 49   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   646 spectrum    1 weight  0.10000E+01 volume  0.35588E-02 ppm1      0.739 ppm2      4.246 CV     1
 ASSI {  647}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   647 spectrum    1 weight  0.10000E+01 volume  0.35588E-02 ppm1      0.800 ppm2      4.289 CV     1
 ASSI {  649}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.35364E-02 ppm1      2.361 ppm2      3.809 CV     1
 OR {  649}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  650}
   (  segid "    " and resid 67   and name HD2%)
   (( segid "    " and resid 15   and name HB3 ))
      2.500     2.500     3.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.35364E-02 ppm1      0.778 ppm2      4.096 CV     1
 ASSI {  656}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.34695E-02 ppm1      1.352 ppm2      8.162 CV     1
 ASSI {  658}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.34469E-02 ppm1      0.566 ppm2      1.302 CV     1
 ASSI {  660}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG3 ))
      2.800     1.000     1.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.34469E-02 ppm1      4.714 ppm2      2.162 CV     1
 OR {  660}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  661}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.700     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.34469E-02 ppm1      4.081 ppm2      2.047 CV     1
 OR {  661}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  662}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.34245E-02 ppm1      1.612 ppm2      4.342 CV     1
 ASSI {  665}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.34020E-02 ppm1      0.710 ppm2      3.768 CV     1
 ASSI {  666}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HG12))
      2.500     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.34020E-02 ppm1      0.539 ppm2      0.684 CV     1
 ASSI {  667}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.34020E-02 ppm1      4.294 ppm2      1.742 CV     1
 ASSI {  670}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.33798E-02 ppm1      3.848 ppm2      9.392 CV     1
 ASSI {  675}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.100     0.500     0.500 peak   675 spectrum    1 weight  0.10000E+01 volume  0.33349E-02 ppm1      1.783 ppm2      1.402 CV     1
 ASSI {  677}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
      2.500     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.32902E-02 ppm1      1.572 ppm2      1.277 CV     1
 OR {  677}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 ASSI {  680}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HD3 ))
      2.600     0.900     0.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.32902E-02 ppm1      1.322 ppm2      1.638 CV     1
 OR {  680}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HD2 ))
 OR {  680}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HD2 ))
 OR {  680}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HD3 ))
 ASSI {  682}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.32679E-02 ppm1      5.897 ppm2      4.854 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.900     1.900     1.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.32454E-02 ppm1      1.977 ppm2      1.789 CV     1
 ASSI {  686}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HB3 ))
      3.600     1.600     1.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.32231E-02 ppm1      0.710 ppm2      1.785 CV     1
 ASSI {  687}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HB2 ))
      2.800     1.000     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.32231E-02 ppm1      2.002 ppm2      1.864 CV     1
 OR {  687}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HB3 ))
 ASSI {  693}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.700     0.900     0.900 peak   693 spectrum    1 weight  0.10000E+01 volume  0.31111E-02 ppm1      2.734 ppm2      1.482 CV     1
 OR {  693}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD3 ))
 OR {  693}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HD3 ))
 OR {  693}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  699}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.800     1.000     1.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.30663E-02 ppm1      3.160 ppm2      1.773 CV     1
 ASSI {  701}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   701 spectrum    1 weight  0.10000E+01 volume  0.30441E-02 ppm1      4.273 ppm2      4.761 CV     1
 ASSI {  705}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.30217E-02 ppm1      3.644 ppm2      5.913 CV     1
 ASSI {  706}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.30217E-02 ppm1      5.773 ppm2      3.049 CV     1
 OR {  706}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI {  714}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.800     1.000     1.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.29771E-02 ppm1      0.920 ppm2      1.753 CV     1
 ASSI {  719}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.29322E-02 ppm1      1.312 ppm2      0.727 CV     1
 ASSI {  721}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.29096E-02 ppm1      2.002 ppm2      4.354 CV     1
 ASSI {  722}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.000     1.100     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.29096E-02 ppm1      1.440 ppm2      1.037 CV     1
 ASSI {  724}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.28874E-02 ppm1      2.156 ppm2      4.560 CV     1
 ASSI {  729}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 48   and name HG3 ))
      2.400     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      3.445 ppm2      1.793 CV     1
 ASSI {  730}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB  ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      0.795 ppm2      1.904 CV     1
 ASSI {  737}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HG3 ))
      2.900     1.100     1.100 peak   737 spectrum    1 weight  0.10000E+01 volume  0.28426E-02 ppm1      4.343 ppm2      2.183 CV     1
 ASSI {  741}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.700     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.27979E-02 ppm1      4.282 ppm2      1.764 CV     1
 ASSI {  743}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      1.322 ppm2      1.765 CV     1
 OR {  743}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  745}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.27754E-02 ppm1      4.105 ppm2      8.601 CV     1
 ASSI {  748}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.600     0.800     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.27529E-02 ppm1      5.031 ppm2      3.154 CV     1
 OR {  748}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  749}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.27529E-02 ppm1      4.114 ppm2      8.220 CV     1
 ASSI {  752}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      2.800     1.000     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.27308E-02 ppm1      5.362 ppm2      3.076 CV     1
 ASSI {  755}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.27308E-02 ppm1      0.865 ppm2      4.301 CV     1
 ASSI {  756}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
      2.600     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.27083E-02 ppm1      1.853 ppm2      1.443 CV     1
 OR {  756}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  758}
   (( segid "    " and resid 51   and name HG12))
   (  segid "    " and resid 51   and name HD1%)
      2.600     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      0.696 ppm2      0.028 CV     1
 ASSI {  759}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      4.294 ppm2      8.590 CV     1
 ASSI {  762}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      0.542 ppm2      9.241 CV     1
 ASSI {  767}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG2 ))
      3.200     1.300     1.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      3.753 ppm2      1.333 CV     1
 OR {  767}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI {  768}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.900     0.900 peak   768 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      5.164 ppm2      2.779 CV     1
 ASSI {  770}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
      3.900     1.900     1.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      0.252 ppm2      0.894 CV     1
 ASSI {  771}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HB  ))
      2.600     0.800     0.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      0.542 ppm2      1.681 CV     1
 ASSI {  775}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      3.300     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      4.163 ppm2      1.708 CV     1
 OR {  775}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  778}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      3.600     1.600     1.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.25965E-02 ppm1      0.455 ppm2      8.675 CV     1
 ASSI {  781}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.500     0.800     0.800 peak   781 spectrum    1 weight  0.10000E+01 volume  0.25965E-02 ppm1      4.052 ppm2      1.987 CV     1
 ASSI {  783}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.800     2.800     3.200 peak   783 spectrum    1 weight  0.10000E+01 volume  0.25965E-02 ppm1      4.174 ppm2      0.717 CV     1
 ASSI {  785}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.600     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.25739E-02 ppm1      4.408 ppm2      2.077 CV     1
 ASSI {  790}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      2.800     1.000     1.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.25515E-02 ppm1      5.585 ppm2      0.906 CV     1
 ASSI {  791}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.600     3.600     2.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.25515E-02 ppm1      2.758 ppm2      0.891 CV     1
 ASSI {  793}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   793 spectrum    1 weight  0.10000E+01 volume  0.25515E-02 ppm1      3.195 ppm2      4.181 CV     1
 OR {  793}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  798}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 49   and name HB  ))
      3.300     1.400     1.400 peak   798 spectrum    1 weight  0.10000E+01 volume  0.25292E-02 ppm1      1.067 ppm2      1.753 CV     1
 ASSI {  799}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1      4.095 ppm2      1.964 CV     1
 OR {  799}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  801}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.25070E-02 ppm1      0.360 ppm2      8.053 CV     1
 ASSI {  804}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.600     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.24845E-02 ppm1      4.291 ppm2      1.883 CV     1
 ASSI {  807}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.600     0.800     0.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.24621E-02 ppm1      3.160 ppm2      1.356 CV     1
 ASSI {  808}
   (( segid "    " and resid 51   and name HG12))
   (( segid "    " and resid 51   and name HG13))
      2.100     0.500     0.500 peak   808 spectrum    1 weight  0.10000E+01 volume  0.24396E-02 ppm1      0.695 ppm2      1.168 CV     1
 ASSI {  809}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.24396E-02 ppm1      3.754 ppm2      1.778 CV     1
 OR {  809}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  811}
   (( segid "    " and resid 27   and name HG  ))
   (  segid "    " and resid 27   and name HD2%)
      2.600     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.24396E-02 ppm1      1.777 ppm2      0.794 CV     1
 ASSI {  812}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      0.542 ppm2      4.298 CV     1
 ASSI {  813}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 70   and name HD1%)
      3.500     1.500     1.500 peak   813 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      0.791 ppm2      0.919 CV     1
 ASSI {  814}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      0.455 ppm2      9.286 CV     1
 ASSI {  815}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB3 ))
      3.500     1.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      3.713 ppm2      2.287 CV     1
 ASSI {  818}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.23951E-02 ppm1      1.939 ppm2      4.297 CV     1
 ASSI {  829}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.23277E-02 ppm1      0.542 ppm2      5.461 CV     1
 ASSI {  830}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 70   and name HD2%)
      3.200     1.300     1.300 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23277E-02 ppm1      1.669 ppm2      0.737 CV     1
 ASSI {  831}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      3.906 ppm2      0.704 CV     1
 ASSI {  832}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HB3 ))
      2.800     1.000     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      0.025 ppm2      1.542 CV     1
 ASSI {  833}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 59   and name HG1%)
      3.500     3.500     2.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      1.765 ppm2      0.420 CV     1
 ASSI {  834}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 49   and name HG2%)
      2.500     2.500     3.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      0.027 ppm2      0.599 CV     1
 ASSI {  835}
   (  segid "    " and resid 65   and name HD1%)
   (( segid "    " and resid 65   and name HB3 ))
      3.600     1.600     1.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      0.251 ppm2      1.542 CV     1
 ASSI {  836}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.200     1.300     1.300 peak   836 spectrum    1 weight  0.10000E+01 volume  0.23055E-02 ppm1      1.856 ppm2      7.767 CV     1
 ASSI {  838}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD1%)
      2.800     1.000     1.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.22830E-02 ppm1      1.428 ppm2      0.939 CV     1
 OR {  838}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI {  839}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.22830E-02 ppm1      4.473 ppm2      7.715 CV     1
 ASSI {  843}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   843 spectrum    1 weight  0.10000E+01 volume  0.22607E-02 ppm1      0.788 ppm2      4.716 CV     1
 ASSI {  844}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.900     1.000     1.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.22607E-02 ppm1      0.863 ppm2      1.667 CV     1
 ASSI {  846}
   (  segid "    " and resid 67   and name HD1%)
   (( segid "    " and resid 67   and name HB2 ))
      2.800     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.22607E-02 ppm1      0.939 ppm2      1.751 CV     1
 ASSI {  848}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak   848 spectrum    1 weight  0.10000E+01 volume  0.22383E-02 ppm1      1.299 ppm2      3.775 CV     1
 ASSI {  849}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   849 spectrum    1 weight  0.10000E+01 volume  0.22383E-02 ppm1      2.936 ppm2      5.376 CV     1
 ASSI {  850}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600     2.600     3.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.22362E-02 ppm1      3.907 ppm2      4.278 CV     1
 ASSI {  860}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 65   and name HD2%)
      3.500     1.500     1.500 peak   860 spectrum    1 weight  0.10000E+01 volume  0.21890E-02 ppm1      1.743 ppm2      0.023 CV     1
 ASSI {  861}
   (  segid "    " and resid 65   and name HD2%)
   (  segid "    " and resid 60   and name HD2%)
      3.600     1.600     1.600 peak   861 spectrum    1 weight  0.10000E+01 volume  0.21846E-02 ppm1      0.023 ppm2      0.441 CV     1
 ASSI {  864}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 53   and name HB  ))
      4.100     2.100     1.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.21756E-02 ppm1      3.254 ppm2      4.743 CV     1
 OR {  864}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 53   and name HB  ))
 ASSI {  866}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      3.000     1.100     1.100 peak   866 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      4.392 ppm2      2.131 CV     1
 OR {  866}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  868}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 73   and name HG1%)
      3.500     1.600     1.600 peak   868 spectrum    1 weight  0.10000E+01 volume  0.21128E-02 ppm1      1.595 ppm2      0.600 CV     1
 ASSI {  870}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 40   and name HG2%)
      3.600     1.600     1.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.21084E-02 ppm1      0.539 ppm2      0.823 CV     1
 ASSI {  872}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.21016E-02 ppm1      4.251 ppm2      8.570 CV     1
 ASSI {  878}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.900     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.20458E-02 ppm1      4.516 ppm2      7.078 CV     1
 ASSI {  879}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.20458E-02 ppm1      3.036 ppm2      4.367 CV     1
 ASSI {  881}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.20322E-02 ppm1      2.362 ppm2      7.832 CV     1
 OR {  881}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  882}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.20279E-02 ppm1      1.909 ppm2      8.685 CV     1
 ASSI {  883}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     3.200     2.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.20256E-02 ppm1      1.487 ppm2      4.760 CV     1
 OR {  883}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  885}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      4.291 ppm2      5.176 CV     1
 ASSI {  886}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak   886 spectrum    1 weight  0.10000E+01 volume  0.20167E-02 ppm1      4.017 ppm2      7.603 CV     1
 ASSI {  887}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.20100E-02 ppm1      1.784 ppm2      3.837 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.19965E-02 ppm1      2.512 ppm2      4.854 CV     1
 ASSI {  893}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.300     1.300     1.300 peak   893 spectrum    1 weight  0.10000E+01 volume  0.19920E-02 ppm1      5.165 ppm2      3.285 CV     1
 ASSI {  895}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 67   and name HD2%)
      2.900     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.19829E-02 ppm1      2.082 ppm2      0.767 CV     1
 ASSI {  899}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD2%)
      3.700     1.700     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.19404E-02 ppm1      1.389 ppm2      0.785 CV     1
 ASSI {  901}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.19382E-02 ppm1      1.195 ppm2      5.022 CV     1
 ASSI {  903}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      2.900     1.000     1.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.19249E-02 ppm1      3.930 ppm2      1.589 CV     1
 ASSI {  905}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.19204E-02 ppm1      1.256 ppm2      4.027 CV     1
 OR {  905}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  907}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.500     1.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.19046E-02 ppm1      0.417 ppm2      4.449 CV     1
 ASSI {  909}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.19026E-02 ppm1      1.777 ppm2      8.353 CV     1
 ASSI {  910}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 27   and name HD2%)
      2.900     1.100     1.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      1.784 ppm2      0.789 CV     1
 ASSI {  913}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.18913E-02 ppm1      4.112 ppm2      1.966 CV     1
 ASSI {  916}
   (( segid "    " and resid 49   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      3.000     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.18845E-02 ppm1      1.745 ppm2      8.771 CV     1
 ASSI {  925}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.18465E-02 ppm1      3.650 ppm2      9.029 CV     1
 ASSI {  929}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 64   and name HB3 ))
      4.000     2.000     2.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.18263E-02 ppm1      1.528 ppm2      2.824 CV     1
 ASSI {  930}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak   930 spectrum    1 weight  0.10000E+01 volume  0.18244E-02 ppm1      2.732 ppm2      1.029 CV     1
 OR {  930}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  933}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.18018E-02 ppm1      4.437 ppm2      8.043 CV     1
 ASSI {  935}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 67   and name HD1%)
      3.000     1.100     1.100 peak   935 spectrum    1 weight  0.10000E+01 volume  0.17953E-02 ppm1      2.084 ppm2      0.954 CV     1
 ASSI {  941}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      3.000     1.100     1.100 peak   941 spectrum    1 weight  0.10000E+01 volume  0.17727E-02 ppm1      5.298 ppm2      2.210 CV     1
 OR {  941}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG3 ))
 ASSI {  948}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HB  ))
      2.900     1.100     1.100 peak   948 spectrum    1 weight  0.10000E+01 volume  0.17391E-02 ppm1      0.018 ppm2      1.680 CV     1
 ASSI {  949}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      3.700     1.700     1.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17300E-02 ppm1      4.391 ppm2      0.790 CV     1
 ASSI {  953}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
      2.900     1.000     1.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      1.972 ppm2      0.736 CV     1
 ASSI {  954}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      3.300     1.400     1.400 peak   954 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      4.360 ppm2      1.359 CV     1
 ASSI {  955}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   955 spectrum    1 weight  0.10000E+01 volume  0.17211E-02 ppm1      4.167 ppm2      8.969 CV     1
 ASSI {  968}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.16765E-02 ppm1      3.583 ppm2      4.711 CV     1
 ASSI {  972}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.16585E-02 ppm1      5.450 ppm2      1.681 CV     1
 ASSI {  973}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak   973 spectrum    1 weight  0.10000E+01 volume  0.16541E-02 ppm1      0.808 ppm2      1.610 CV     1
 ASSI {  975}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.16428E-02 ppm1      0.710 ppm2      4.306 CV     1
 ASSI {  976}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.16428E-02 ppm1      0.785 ppm2      8.687 CV     1
 ASSI {  978}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.16339E-02 ppm1      4.622 ppm2     10.001 CV     1
 ASSI {  980}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      3.000     1.100     1.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.16271E-02 ppm1      1.737 ppm2      1.662 CV     1
 ASSI {  981}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      3.719 ppm2      4.304 CV     1
 ASSI {  987}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     2.600     3.400 peak   987 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      3.647 ppm2      4.770 CV     1
 ASSI {  988}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.16048E-02 ppm1      0.688 ppm2      4.297 CV     1
 ASSI {  990}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak   990 spectrum    1 weight  0.10000E+01 volume  0.16026E-02 ppm1      3.756 ppm2     10.009 CV     1
 ASSI {  993}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 43   and name HB% )
      3.700     1.700     1.700 peak   993 spectrum    1 weight  0.10000E+01 volume  0.15824E-02 ppm1      4.482 ppm2      1.443 CV     1
 ASSI {  996}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 70   and name HD1%)
      3.700     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.15758E-02 ppm1      1.909 ppm2      0.919 CV     1
 ASSI {  997}
   (  segid "    " and resid 65   and name HD1%)
   (  segid "    " and resid 60   and name HD2%)
      3.700     1.700     1.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      0.254 ppm2      0.455 CV     1
 ASSI { 1001}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.15645E-02 ppm1      1.442 ppm2      9.354 CV     1
 ASSI { 1003}
   (  segid "    " and resid 53   and name HG2%)
   (  segid "    " and resid 51   and name HD1%)
      3.100     1.200     1.200 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.15623E-02 ppm1      1.192 ppm2      0.030 CV     1
 ASSI { 1004}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 8    and name HB% )
      3.700     1.700     1.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.15577E-02 ppm1      1.587 ppm2      1.031 CV     1
 ASSI { 1011}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      4.564 ppm2      4.779 CV     1
 ASSI { 1015}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.15198E-02 ppm1      2.814 ppm2      4.362 CV     1
 ASSI { 1016}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     2.600     3.400 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.15175E-02 ppm1      1.771 ppm2      4.123 CV     1
 ASSI { 1018}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 23   and name HD3 ))
      3.500     1.500     1.500 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.15086E-02 ppm1      0.886 ppm2      2.966 CV     1
 OR { 1018}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 1021}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.14975E-02 ppm1      3.169 ppm2      3.125 CV     1
 ASSI { 1026}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 60   and name HD2%)
      3.000     1.100     1.100 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.14861E-02 ppm1      1.312 ppm2      0.451 CV     1
 ASSI { 1033}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.700     2.700     3.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.14683E-02 ppm1      2.084 ppm2      3.199 CV     1
 OR { 1033}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 1034}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB  ))
      2.700     0.900     0.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14683E-02 ppm1      4.232 ppm2      1.759 CV     1
 ASSI { 1039}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.700     1.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.14594E-02 ppm1      3.719 ppm2      4.417 CV     1
 ASSI { 1040}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      3.200     1.300     1.300 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.14550E-02 ppm1      1.354 ppm2      1.024 CV     1
 ASSI { 1041}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.14550E-02 ppm1      4.633 ppm2      8.279 CV     1
 ASSI { 1044}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1      0.543 ppm2      9.050 CV     1
 ASSI { 1045}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.14414E-02 ppm1      0.898 ppm2      4.349 CV     1
 ASSI { 1047}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      5.723 ppm2      4.645 CV     1
 ASSI { 1048}
   (( segid "    " and resid 5    and name HD3 ))
   (  segid "    " and resid 4    and name HG2%)
      4.200     2.200     1.800 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.14370E-02 ppm1      3.815 ppm2      1.250 CV     1
 ASSI { 1052}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.200     1.200     1.200 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.14348E-02 ppm1      4.623 ppm2      1.648 CV     1
 ASSI { 1053}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 39   and name HG1%)
      2.900     1.000     1.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      2.557 ppm2      1.154 CV     1
 ASSI { 1054}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.100     2.100     1.900 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.14303E-02 ppm1      4.846 ppm2      3.678 CV     1
 OR { 1054}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
 ASSI { 1057}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.14190E-02 ppm1      4.232 ppm2      8.761 CV     1
 ASSI { 1059}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.14169E-02 ppm1      4.793 ppm2      8.492 CV     1
 ASSI { 1060}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      1.070 ppm2      8.582 CV     1
 ASSI { 1062}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.600     2.600     3.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.14102E-02 ppm1      4.476 ppm2      2.288 CV     1
 ASSI { 1069}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.13876E-02 ppm1      2.210 ppm2      4.183 CV     1
 OR { 1069}
   (( segid "    " and resid 75   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1073}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.13788E-02 ppm1      4.288 ppm2      7.769 CV     1
 ASSI { 1074}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      4.200     2.200     1.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.13788E-02 ppm1      3.753 ppm2      1.529 CV     1
 ASSI { 1077}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      4.200     2.200     1.800 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.13699E-02 ppm1      5.718 ppm2      0.749 CV     1
 ASSI { 1078}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HB  ))
      3.000     1.200     1.200 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.13629E-02 ppm1      0.360 ppm2      1.637 CV     1
 ASSI { 1081}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.13474E-02 ppm1      1.902 ppm2      8.352 CV     1
 OR { 1081}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1083}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
      3.000     1.100     1.100 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      2.988 ppm2      0.502 CV     1
 OR { 1083}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 1085}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      4.521 ppm2      7.452 CV     1
 ASSI { 1086}
   (  segid "    " and resid 73   and name HG1%)
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      0.600 ppm2      9.362 CV     1
 ASSI { 1087}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.000     1.100     1.100 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      4.332 ppm2      1.951 CV     1
 ASSI { 1091}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.13139E-02 ppm1      0.791 ppm2      4.344 CV     1
 ASSI { 1097}
   (( segid "    " and resid 70   and name HB3 ))
   (  segid "    " and resid 70   and name HD1%)
      3.200     1.300     1.300 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.13027E-02 ppm1      1.669 ppm2      0.914 CV     1
 ASSI { 1098}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.800     1.000     1.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.12960E-02 ppm1      3.909 ppm2      2.041 CV     1
 ASSI { 1101}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.800     1.800     1.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1      3.906 ppm2      1.881 CV     1
 OR { 1101}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI { 1102}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG2 ))
      3.400     1.400     1.400 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.12893E-02 ppm1      3.037 ppm2      1.330 CV     1
 OR { 1102}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG2 ))
 OR { 1102}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HG3 ))
 OR { 1102}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HG3 ))
 ASSI { 1105}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG  ))
      2.900     1.000     1.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.12758E-02 ppm1      1.728 ppm2      1.860 CV     1
 ASSI { 1106}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.12690E-02 ppm1      0.791 ppm2      4.750 CV     1
 ASSI { 1108}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.12557E-02 ppm1      5.165 ppm2      0.895 CV     1
 ASSI { 1109}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.500     1.500 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      1.687 ppm2      4.394 CV     1
 ASSI { 1110}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.100     1.100 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      1.743 ppm2      8.725 CV     1
 ASSI { 1116}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.600     1.600     1.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.12355E-02 ppm1      3.250 ppm2      1.962 CV     1
 OR { 1116}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1116}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HB3 ))
 OR { 1116}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI { 1118}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.200     1.300     1.300 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      2.985 ppm2      1.352 CV     1
 OR { 1118}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1120}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      3.000     1.100     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.12221E-02 ppm1      1.174 ppm2      1.845 CV     1
 OR { 1120}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1121}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.300     1.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.12199E-02 ppm1      1.389 ppm2      0.976 CV     1
 ASSI { 1122}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      2.582 ppm2      4.856 CV     1
 ASSI { 1125}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      3.300     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      4.198 ppm2      1.801 CV     1
 ASSI { 1126}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.12020E-02 ppm1      4.105 ppm2      4.301 CV     1
 ASSI { 1127}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.12020E-02 ppm1      3.111 ppm2      8.951 CV     1
 ASSI { 1129}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 67   and name HD1%)
      4.500     2.500     1.500 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.11973E-02 ppm1      4.408 ppm2      0.959 CV     1
 ASSI { 1130}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.11907E-02 ppm1      4.078 ppm2      7.843 CV     1
 ASSI { 1136}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 50   and name HB3 ))
      3.400     1.400     1.400 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.11817E-02 ppm1      1.218 ppm2      3.146 CV     1
 OR { 1136}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 1136}
   (( segid "    " and resid 41   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1137}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.300     1.400     1.400 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.11797E-02 ppm1      4.174 ppm2      1.837 CV     1
 ASSI { 1139}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      3.100     1.200     1.200 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.11797E-02 ppm1      0.886 ppm2      0.738 CV     1
 ASSI { 1141}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.400     1.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.11706E-02 ppm1      2.796 ppm2      0.901 CV     1
 OR { 1141}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1142}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
      3.700     3.700     2.300 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.11684E-02 ppm1      0.996 ppm2      1.457 CV     1
 OR { 1142}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 1143}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      4.100     2.100     1.900 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.11640E-02 ppm1      2.192 ppm2      4.125 CV     1
 ASSI { 1148}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.11528E-02 ppm1      1.595 ppm2      7.418 CV     1
 ASSI { 1152}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      3.480 ppm2      6.784 CV     1
 ASSI { 1153}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      2.190 ppm2      1.972 CV     1
 ASSI { 1154}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 18   and name HG2%)
      4.300     2.300     1.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      3.265 ppm2      0.888 CV     1
 ASSI { 1159}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.11212E-02 ppm1      0.360 ppm2      4.449 CV     1
 ASSI { 1160}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 67   and name HD2%)
      3.500     1.600     1.600 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.11212E-02 ppm1      3.720 ppm2      0.782 CV     1
 ASSI { 1161}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
      4.000     2.000     2.000 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.11190E-02 ppm1      3.265 ppm2      0.704 CV     1
 ASSI { 1162}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 68   and name HD1%)
      4.000     2.000     2.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.11147E-02 ppm1      1.528 ppm2      0.737 CV     1
 ASSI { 1163}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 40   and name HG2%)
      3.400     1.500     1.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      3.169 ppm2      0.844 CV     1
 ASSI { 1164}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.400     1.400 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      4.408 ppm2      7.759 CV     1
 ASSI { 1167}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HD3 ))
      3.100     1.200     1.200 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      2.192 ppm2      3.944 CV     1
 OR { 1167}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HD2 ))
 ASSI { 1168}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      5.361 ppm2      5.029 CV     1
 ASSI { 1169}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 31   and name HG2 ))
      4.100     2.100     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      0.564 ppm2      2.106 CV     1
 OR { 1169}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 31   and name HG3 ))
 ASSI { 1170}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HG3 ))
      4.600     2.700     1.400 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.10923E-02 ppm1      2.580 ppm2      1.777 CV     1
 ASSI { 1172}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 32   and name HD1%)
      4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      3.555 ppm2      0.936 CV     1
 ASSI { 1174}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 58   and name HB3 ))
      4.500     2.600     1.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      0.542 ppm2      1.342 CV     1
 OR { 1174}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 58   and name HB2 ))
 ASSI { 1178}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      3.600     1.700     1.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      4.848 ppm2      4.623 CV     1
 ASSI { 1182}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.10722E-02 ppm1      4.439 ppm2      7.878 CV     1
 ASSI { 1184}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HB3 ))
      3.300     1.300     1.300 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      3.812 ppm2      2.290 CV     1
 ASSI { 1188}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HD2 ))
      3.600     1.700     1.700 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      1.852 ppm2      3.297 CV     1
 OR { 1188}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HD2 ))
 ASSI { 1189}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      3.723 ppm2      5.911 CV     1
 ASSI { 1190}
   (  segid "    " and resid 42   and name HG1%)
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.300     1.300 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      1.070 ppm2      8.770 CV     1
 ASSI { 1200}
   (  segid "    " and resid 27   and name HD1%)
   (( segid "    " and resid 24   and name HB3 ))
      2.800     2.800     3.200 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      0.999 ppm2      2.029 CV     1
 ASSI { 1201}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      5.450 ppm2      4.298 CV     1
 ASSI { 1208}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 39   and name HG1%)
      3.500     1.500     1.500 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.98476E-03 ppm1      2.796 ppm2      1.152 CV     1
 OR { 1208}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 39   and name HG1%)
 ASSI { 1210}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HB3 ))
      4.700     2.700     1.300 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.96678E-03 ppm1      4.311 ppm2      2.296 CV     1
 ASSI { 1213}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      4.000     2.000     2.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.95805E-03 ppm1      4.392 ppm2      4.616 CV     1
 ASSI { 1214}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.400     1.400 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.95805E-03 ppm1      1.312 ppm2      4.746 CV     1
 ASSI { 1216}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG  ))
      3.500     1.500     1.500 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.95348E-03 ppm1      1.299 ppm2      1.209 CV     1
 ASSI { 1219}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      3.200     1.200     1.200 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.94463E-03 ppm1      4.484 ppm2      1.940 CV     1
 ASSI { 1221}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HD2 ))
      3.900     1.900     1.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.94463E-03 ppm1      1.235 ppm2      3.729 CV     1
 ASSI { 1222}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 24   and name HB3 ))
      4.200     2.200     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.94232E-03 ppm1      1.352 ppm2      2.049 CV     1
 OR { 1222}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1226}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.93335E-03 ppm1      4.211 ppm2      9.291 CV     1
 ASSI { 1230}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.91548E-03 ppm1      3.812 ppm2      1.961 CV     1
 ASSI { 1235}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
      3.100     1.200     1.200 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.90872E-03 ppm1      5.584 ppm2      1.691 CV     1
 ASSI { 1241}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
      3.300     1.400     1.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.89524E-03 ppm1      4.174 ppm2      1.943 CV     1
 ASSI { 1242}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.89524E-03 ppm1      3.977 ppm2      7.415 CV     1
 OR { 1242}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1243}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.89316E-03 ppm1      1.949 ppm2      1.830 CV     1
 ASSI { 1244}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.89316E-03 ppm1      3.715 ppm2      9.025 CV     1
 ASSI { 1245}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.88859E-03 ppm1      4.293 ppm2      4.023 CV     1
 ASSI { 1246}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 51   and name HG13))
      3.200     1.300     1.300 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.88639E-03 ppm1      1.331 ppm2      1.157 CV     1
 OR { 1246}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 51   and name HG13))
 ASSI { 1247}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.88414E-03 ppm1      4.846 ppm2      1.035 CV     1
 ASSI { 1249}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.88194E-03 ppm1      1.184 ppm2      3.752 CV     1
 ASSI { 1251}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
      3.200     1.200     1.200 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.87957E-03 ppm1      3.717 ppm2      1.898 CV     1
 OR { 1251}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI { 1252}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      4.200     2.200     1.800 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.87743E-03 ppm1      1.575 ppm2      8.730 CV     1
 ASSI { 1253}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 50   and name HB3 ))
      4.400     2.400     1.600 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.87743E-03 ppm1      1.703 ppm2      3.129 CV     1
 OR { 1253}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 1253}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1256}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HG3 ))
      3.200     1.300     1.300 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.86615E-03 ppm1      3.812 ppm2      1.899 CV     1
 OR { 1256}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI { 1257}
   (( segid "    " and resid 23   and name HD3 ))
   (  segid "    " and resid 18   and name HD1%)
      3.300     1.400     1.400 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.86401E-03 ppm1      2.984 ppm2      0.739 CV     1
 ASSI { 1261}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.100     1.200     1.200 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.85505E-03 ppm1      5.240 ppm2      3.801 CV     1
 ASSI { 1265}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD2%)
      3.400     1.500     1.500 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.85285E-03 ppm1      1.547 ppm2      0.739 CV     1
 ASSI { 1268}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.84834E-03 ppm1      1.034 ppm2      1.764 CV     1
 ASSI { 1272}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
      3.900     1.900     1.900 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.83487E-03 ppm1      3.589 ppm2      0.620 CV     1
 ASSI { 1274}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.100     1.200     1.200 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.83255E-03 ppm1      4.694 ppm2      2.660 CV     1
 ASSI { 1275}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      4.400     2.400     1.600 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.83041E-03 ppm1      1.902 ppm2      0.902 CV     1
 OR { 1275}
   (( segid "    " and resid 69   and name HG3 ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI { 1280}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 51   and name HD1%)
      4.600     2.600     1.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.82370E-03 ppm1      4.704 ppm2      0.024 CV     1
 ASSI { 1281}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 34   and name HA2 ))
      4.000     2.000     2.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.82145E-03 ppm1      2.733 ppm2      3.550 CV     1
 OR { 1281}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 34   and name HA2 ))
 ASSI { 1284}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.800     1.800 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.81919E-03 ppm1      5.300 ppm2      8.713 CV     1
 ASSI { 1301}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.77663E-03 ppm1      5.210 ppm2      9.231 CV     1
 ASSI { 1302}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HD3 ))
      3.400     1.400     1.400 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.77663E-03 ppm1      3.037 ppm2      1.648 CV     1
 OR { 1302}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HD2 ))
 OR { 1302}
   (( segid "    " and resid 62   and name HE3 ))
   (( segid "    " and resid 62   and name HD3 ))
 OR { 1302}
   (( segid "    " and resid 62   and name HE2 ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 1304}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HE3 ))
      3.500     1.500     1.500 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.77223E-03 ppm1      4.698 ppm2      7.121 CV     1
 ASSI { 1305}
   (  segid "    " and resid 74   and name HB% )
   (( segid "    " and resid 75   and name HB2 ))
      4.600     2.600     1.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.77223E-03 ppm1      1.234 ppm2      1.860 CV     1
 ASSI { 1306}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.77223E-03 ppm1      1.909 ppm2      9.386 CV     1
 ASSI { 1307}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE3 ))
      3.400     1.400     1.400 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.77223E-03 ppm1      1.329 ppm2      2.835 CV     1
 OR { 1307}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE2 ))
 ASSI { 1309}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.76327E-03 ppm1      4.694 ppm2      1.202 CV     1
 ASSI { 1314}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 60   and name HA  ))
      4.600     2.700     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.75650E-03 ppm1      1.211 ppm2      4.738 CV     1
 ASSI { 1315}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 65   and name HD2%)
      4.500     2.500     1.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.75650E-03 ppm1      1.312 ppm2      0.027 CV     1
 ASSI { 1320}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.75211E-03 ppm1      3.721 ppm2      8.454 CV     1
 ASSI { 1322}
   (( segid "    " and resid 11   and name HG13))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.74754E-03 ppm1      1.837 ppm2      8.682 CV     1
 OR { 1322}
   (( segid "    " and resid 11   and name HG12))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1324}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG  ))
      3.200     1.300     1.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.73857E-03 ppm1      1.526 ppm2      1.210 CV     1
 ASSI { 1329}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      4.400     2.400     1.600 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.73187E-03 ppm1      5.726 ppm2      1.441 CV     1
 ASSI { 1331}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 73   and name HG1%)
      3.600     1.600     1.600 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.72967E-03 ppm1      4.846 ppm2      0.607 CV     1
 ASSI { 1334}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.400     1.400     1.400 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.72528E-03 ppm1      1.487 ppm2      1.031 CV     1
 OR { 1334}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI { 1340}
   (  segid "    " and resid 67   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
      3.000     3.000     3.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.70954E-03 ppm1      0.774 ppm2      2.416 CV     1
 ASSI { 1342}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.500     0.800     0.800 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.70503E-03 ppm1      1.174 ppm2      1.343 CV     1
 ASSI { 1344}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.70058E-03 ppm1      0.710 ppm2      3.169 CV     1
 ASSI { 1348}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.200     1.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      3.169 ppm2      8.941 CV     1
 ASSI { 1351}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.68716E-03 ppm1      1.595 ppm2      1.037 CV     1
 ASSI { 1352}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.68265E-03 ppm1      0.704 ppm2      8.231 CV     1
 ASSI { 1354}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HG3 ))
      3.300     1.400     1.400 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.68265E-03 ppm1      1.851 ppm2      1.790 CV     1
 OR { 1354}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG3 ))
 ASSI { 1358}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.800     1.800     1.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.67369E-03 ppm1      3.749 ppm2      1.309 CV     1
 ASSI { 1359}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 59   and name HG1%)
      4.100     2.100     1.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.66923E-03 ppm1      5.720 ppm2      0.434 CV     1
 ASSI { 1361}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.66027E-03 ppm1      4.600 ppm2      6.951 CV     1
 ASSI { 1362}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
      4.100     2.100     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.66027E-03 ppm1      3.963 ppm2      2.045 CV     1
 ASSI { 1365}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 40   and name HG2%)
      3.700     1.700     1.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.65801E-03 ppm1      3.111 ppm2      0.854 CV     1
 ASSI { 1366}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      4.600     2.700     1.400 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.65136E-03 ppm1      0.566 ppm2      8.009 CV     1
 ASSI { 1369}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.64691E-03 ppm1      0.880 ppm2      1.611 CV     1
 ASSI { 1370}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.600     0.800     0.800 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.64691E-03 ppm1      1.323 ppm2      1.229 CV     1
 ASSI { 1374}
   (( segid "    " and resid 5    and name HD3 ))
   (  segid "    " and resid 42   and name HG2%)
      3.900     1.900     1.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.64009E-03 ppm1      3.812 ppm2      0.907 CV     1
 ASSI { 1377}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HB  ))
      3.500     1.500     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.63344E-03 ppm1      0.417 ppm2      1.635 CV     1
 ASSI { 1379}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.62447E-03 ppm1      4.105 ppm2      4.417 CV     1
 ASSI { 1383}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.300     2.400     1.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.61996E-03 ppm1      5.235 ppm2      1.796 CV     1
 ASSI { 1386}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 49   and name HG2%)
      4.100     2.100     1.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.61331E-03 ppm1      2.793 ppm2      0.618 CV     1
 OR { 1386}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 49   and name HG2%)
 ASSI { 1388}
   (( segid "    " and resid 5    and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      4.700     2.800     1.300 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.61106E-03 ppm1      3.715 ppm2      0.907 CV     1
 ASSI { 1391}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.60874E-03 ppm1      2.582 ppm2      6.794 CV     1
 ASSI { 1393}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
      4.100     2.100     1.900 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.60874E-03 ppm1      3.756 ppm2      1.630 CV     1
 OR { 1393}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
 ASSI { 1396}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.60660E-03 ppm1      5.722 ppm2     10.004 CV     1
 ASSI { 1398}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 10   and name HB3 ))
      3.100     3.100     2.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.60209E-03 ppm1      0.936 ppm2      1.581 CV     1
 ASSI { 1403}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.600     1.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.59758E-03 ppm1      4.105 ppm2      7.410 CV     1
 ASSI { 1405}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      3.900     1.900     1.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.59091E-03 ppm1      3.755 ppm2      0.738 CV     1
 ASSI { 1406}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 38   and name HB2 ))
      4.100     2.100     1.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.59091E-03 ppm1      1.017 ppm2      3.055 CV     1
 OR { 1406}
   (  segid "    " and resid 8    and name HB% )
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1409}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
      3.800     1.800     1.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.58641E-03 ppm1      3.162 ppm2      1.018 CV     1
 ASSI { 1413}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.300     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.57971E-03 ppm1      3.960 ppm2      2.204 CV     1
 ASSI { 1417}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 9    and name HE1 ))
      3.700     1.700     1.700 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.57524E-03 ppm1      4.564 ppm2     10.264 CV     1
 ASSI { 1423}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.57075E-03 ppm1      1.197 ppm2      2.941 CV     1
 ASSI { 1426}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.56852E-03 ppm1      5.013 ppm2      8.810 CV     1
 ASSI { 1429}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.500     1.600     1.600 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.56179E-03 ppm1      4.846 ppm2      1.119 CV     1
 ASSI { 1430}
   (  segid "    " and resid 51   and name HD1%)
   (  segid "    " and resid 65   and name HD1%)
      4.400     2.400     1.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.56179E-03 ppm1      0.020 ppm2      0.247 CV     1
 ASSI { 1432}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 9    and name HE1 ))
      4.100     2.100     1.900 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.55955E-03 ppm1      4.124 ppm2     10.264 CV     1
 ASSI { 1433}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      3.700     1.700     1.700 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.55733E-03 ppm1      4.480 ppm2      0.914 CV     1
 ASSI { 1435}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.100     3.100     2.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.55733E-03 ppm1      3.169 ppm2      1.720 CV     1
 ASSI { 1436}
   (  segid "    " and resid 67   and name HD1%)
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.55285E-03 ppm1      0.942 ppm2      4.498 CV     1
 ASSI { 1437}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD3 ))
      3.500     1.500     1.500 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.55061E-03 ppm1      1.329 ppm2      1.562 CV     1
 OR { 1437}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI { 1446}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
      4.100     2.100     1.900 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.53716E-03 ppm1      4.096 ppm2      1.766 CV     1
 OR { 1446}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG3 ))
 ASSI { 1452}
   (( segid "    " and resid 52   and name HG3 ))
   (  segid "    " and resid 40   and name HG2%)
      3.100     3.100     2.900 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.52823E-03 ppm1      2.227 ppm2      0.854 CV     1
 ASSI { 1454}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.51926E-03 ppm1      4.167 ppm2      8.283 CV     1
 ASSI { 1457}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB3 ))
      4.100     2.100     1.900 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.51480E-03 ppm1      2.987 ppm2      1.782 CV     1
 OR { 1457}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI { 1458}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 63   and name HG3 ))
      4.000     2.000     2.000 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.51255E-03 ppm1      2.831 ppm2      1.277 CV     1
 OR { 1458}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HG2 ))
 OR { 1458}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HG3 ))
 ASSI { 1459}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
      3.500     1.500     1.500 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.51255E-03 ppm1      1.771 ppm2      0.533 CV     1
 ASSI { 1462}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.600     2.600     1.400 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.51032E-03 ppm1      3.715 ppm2      1.961 CV     1
 ASSI { 1464}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.200     2.200     1.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.50808E-03 ppm1      2.835 ppm2      4.749 CV     1
 OR { 1464}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1472}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.100     3.100     2.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.48794E-03 ppm1      4.125 ppm2      4.020 CV     1
 ASSI { 1475}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG12))
      4.100     2.100     1.900 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.48347E-03 ppm1      5.450 ppm2      0.695 CV     1
 ASSI { 1479}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 19   and name HB3 ))
      5.000     3.100     1.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.48122E-03 ppm1      3.965 ppm2      4.281 CV     1
 ASSI { 1482}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.47228E-03 ppm1      4.294 ppm2      8.386 CV     1
 ASSI { 1485}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.46555E-03 ppm1      0.996 ppm2      9.291 CV     1
 ASSI { 1488}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 48   and name HD3 ))
      4.600     2.700     1.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.45661E-03 ppm1      0.415 ppm2      3.467 CV     1
 ASSI { 1490}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
      4.600     2.700     1.400 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.45211E-03 ppm1      0.417 ppm2      8.791 CV     1
 ASSI { 1494}
   (  segid "    " and resid 42   and name HG1%)
   (  segid "    " and resid 43   and name HB% )
      4.600     2.700     1.400 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.44318E-03 ppm1      1.073 ppm2      1.443 CV     1
 ASSI { 1495}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 67   and name HD2%)
      4.800     2.900     1.200 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.44094E-03 ppm1      4.505 ppm2      0.761 CV     1
 ASSI { 1497}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.400     0.800 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.43647E-03 ppm1      3.169 ppm2      7.714 CV     1
 ASSI { 1498}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 39   and name HA  ))
      3.800     1.800     1.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.43421E-03 ppm1      2.561 ppm2      4.292 CV     1
 ASSI { 1501}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HE1 ))
      4.400     2.500     1.600 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.42303E-03 ppm1      4.293 ppm2     10.264 CV     1
 ASSI { 1505}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD2 ))
      3.600     1.600     1.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.40736E-03 ppm1      1.174 ppm2      1.562 CV     1
 OR { 1505}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI { 1507}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.500     1.600 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.40736E-03 ppm1      4.250 ppm2      7.757 CV     1
 ASSI { 1513}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.39841E-03 ppm1      3.111 ppm2      5.031 CV     1
 ASSI { 1518}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.39393E-03 ppm1      0.731 ppm2      4.338 CV     1
 ASSI { 1519}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 70   and name HD1%)
      4.100     2.100     1.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.39170E-03 ppm1      2.647 ppm2      0.920 CV     1
 ASSI { 1522}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE22))
      4.900     3.000     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.38498E-03 ppm1      2.361 ppm2      7.363 CV     1
 OR { 1522}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HE22))
 ASSI { 1523}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 67   and name HB2 ))
      5.200     3.300     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.38498E-03 ppm1      4.105 ppm2      1.748 CV     1
 ASSI { 1524}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.600     1.400 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.38498E-03 ppm1      4.167 ppm2      7.420 CV     1
 ASSI { 1525}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.38498E-03 ppm1      1.329 ppm2      1.848 CV     1
 OR { 1525}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
 ASSI { 1534}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HE3 ))
      3.600     1.600     1.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.36707E-03 ppm1      2.646 ppm2      7.116 CV     1
 ASSI { 1541}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      4.700     2.800     1.300 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.35141E-03 ppm1      2.653 ppm2      8.195 CV     1
 ASSI { 1545}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
      4.200     2.200     1.800 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.34469E-03 ppm1      4.732 ppm2      0.430 CV     1
 ASSI { 1550}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.300     3.500     0.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.33349E-03 ppm1      5.167 ppm2      3.739 CV     1
 ASSI { 1554}
   (( segid "    " and resid 2    and name HB3 ))
   (  segid "    " and resid 4    and name HG2%)
      4.300     2.300     1.700 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.32007E-03 ppm1      1.847 ppm2      1.232 CV     1
 OR { 1554}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 1558}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HG13))
      3.400     1.500     1.500 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.31559E-03 ppm1      3.749 ppm2      1.881 CV     1
 OR { 1558}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HG12))
 ASSI { 1567}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.30217E-03 ppm1      4.476 ppm2      1.892 CV     1
 ASSI { 1575}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 49   and name HG1%)
      4.900     3.000     1.100 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.29096E-03 ppm1      4.846 ppm2      0.750 CV     1
 ASSI { 1579}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      4.200     2.200     1.800 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.28200E-03 ppm1      0.417 ppm2      4.751 CV     1
 ASSI { 1580}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 37   and name HB3 ))
      4.100     2.100     1.900 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.27754E-03 ppm1      1.192 ppm2      3.077 CV     1
 ASSI { 1583}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.900     1.900     1.900 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.27308E-03 ppm1      1.797 ppm2      3.160 CV     1
 OR { 1583}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1585}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.400     0.800 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.27083E-03 ppm1      4.292 ppm2      8.299 CV     1
 ASSI { 1590}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      5.700     4.000     0.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.26188E-03 ppm1      0.020 ppm2      5.461 CV     1
 ASSI { 1593}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      4.900     3.000     1.100 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.25515E-03 ppm1      5.209 ppm2      4.719 CV     1
 ASSI { 1595}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 11   and name HG2%)
      4.200     2.300     1.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.25292E-03 ppm1      1.820 ppm2      0.471 CV     1
 OR { 1595}
   (( segid "    " and resid 11   and name HG13))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1601}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.24396E-03 ppm1      0.710 ppm2      2.834 CV     1
 ASSI { 1602}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.400     2.400     1.600 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.23726E-03 ppm1      0.360 ppm2      4.746 CV     1
 ASSI { 1609}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 10   and name HB3 ))
      4.700     2.700     1.300 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.21531E-03 ppm1      2.157 ppm2      1.580 CV     1
 ASSI { 1610}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      5.000     3.100     1.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.21488E-03 ppm1      4.348 ppm2      5.601 CV     1
 ASSI { 1611}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      5.100     3.200     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.21241E-03 ppm1      4.112 ppm2      1.345 CV     1
 ASSI { 1617}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 9    and name HE3 ))
      5.200     3.400     0.800 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.19965E-03 ppm1      0.936 ppm2      7.101 CV     1
 ASSI { 1618}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.600     2.700     1.400 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.19765E-03 ppm1      1.428 ppm2      4.604 CV     1
 ASSI { 1619}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 41   and name HG2 ))
      4.100     2.100     1.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.19451E-03 ppm1      3.111 ppm2      1.230 CV     1
 ASSI { 1623}
   (( segid "    " and resid 10   and name HE3 ))
   (  segid "    " and resid 73   and name HG1%)
      4.700     2.800     1.300 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.18913E-03 ppm1      2.733 ppm2      0.596 CV     1
 ASSI { 1626}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 11   and name HD1%)
      4.000     2.000     2.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.18646E-03 ppm1      1.974 ppm2      0.785 CV     1
 ASSI { 1627}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HA  ))
      4.700     2.700     1.300 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.18577E-03 ppm1      1.777 ppm2      3.841 CV     1
 ASSI { 1628}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      4.500     2.600     1.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.18331E-03 ppm1      1.201 ppm2      0.907 CV     1
 ASSI { 1629}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
      5.600     4.000     0.400 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.18286E-03 ppm1      0.454 ppm2      1.484 CV     1
 OR { 1629}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 1632}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HN  ))
      3.800     1.800     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.17211E-03 ppm1      0.935 ppm2      9.158 CV     1
 ASSI { 1639}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      4.600     2.600     1.400 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.16138E-03 ppm1      3.170 ppm2      9.256 CV     1
 ASSI { 1640}
   (  segid "    " and resid 73   and name HG1%)
   (  segid "    " and resid 73   and name HG2%)
      4.600     2.700     1.400 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.15936E-03 ppm1      0.600 ppm2      0.725 CV     1
 ASSI { 1644}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 41   and name HG3 ))
      6.000     4.900     0.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.15443E-03 ppm1      3.169 ppm2      1.240 CV     1
 ASSI { 1646}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 68   and name HB  ))
      4.900     3.000     1.100 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.15355E-03 ppm1      3.419 ppm2      1.856 CV     1
 ASSI { 1649}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      5.000     3.100     1.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.15175E-03 ppm1      5.721 ppm2      1.793 CV     1
 ASSI { 1650}
   (( segid "    " and resid 51   and name HG12))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.15108E-03 ppm1      0.696 ppm2      9.251 CV     1
 ASSI { 1651}
   (  segid "    " and resid 59   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.700     1.300 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.15041E-03 ppm1      0.360 ppm2      8.790 CV     1
 ASSI { 1654}
   (  segid "    " and resid 59   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.500     2.600     1.500 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.14614E-03 ppm1      0.417 ppm2      8.048 CV     1
 ASSI { 1655}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HG  ))
      4.900     3.000     1.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.14594E-03 ppm1      2.084 ppm2      1.856 CV     1
 ASSI { 1658}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      5.400     3.600     0.600 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.14190E-03 ppm1      0.996 ppm2      5.593 CV     1
 ASSI { 1659}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      5.100     3.200     0.900 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.14102E-03 ppm1      4.211 ppm2      7.463 CV     1
 ASSI { 1663}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.400     0.000 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.13407E-03 ppm1      3.053 ppm2      8.809 CV     1
 ASSI { 1667}
   (  segid "    " and resid 39   and name HG1%)
   (( segid "    " and resid 39   and name HA  ))
      4.500     2.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.12355E-03 ppm1      1.155 ppm2      4.309 CV     1
 ASSI { 1670}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.800     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.12109E-03 ppm1      0.710 ppm2      4.075 CV     1
 ASSI { 1671}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG3 ))
      4.700     2.700     1.300 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.12044E-03 ppm1      1.974 ppm2      2.120 CV     1
 OR { 1671}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI { 1681}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 2    and name HG3 ))
      4.500     2.500     1.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.10857E-03 ppm1      4.264 ppm2      2.188 CV     1
 ASSI { 1684}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      4.500     2.500     1.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.98025E-04 ppm1      4.395 ppm2      1.965 CV     1
 ASSI { 1685}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      5.600     4.000     0.400 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.97817E-04 ppm1      3.109 ppm2      7.718 CV     1
 ASSI { 1686}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG13))
      5.300     3.500     0.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.96933E-04 ppm1      5.450 ppm2      1.165 CV     1
 ASSI { 1690}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
      5.800     4.200     0.200 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.92219E-04 ppm1      1.235 ppm2      4.012 CV     1
 ASSI { 1696}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HB2 ))
      4.100     4.100     1.900 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.83487E-04 ppm1      3.906 ppm2      3.794 CV     1
 ASSI { 1697}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      5.100     3.300     0.900 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.82804E-04 ppm1      4.105 ppm2      8.300 CV     1
 ASSI { 1699}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.600     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.80132E-04 ppm1      3.108 ppm2      9.256 CV     1
 ASSI { 1701}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 58   and name HD2%)
      5.200     3.400     0.800 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.73187E-04 ppm1      1.329 ppm2      0.712 CV     1
 ASSI { 1702}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      5.700     4.100     0.300 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.69607E-04 ppm1      4.518 ppm2      0.450 CV     1
 ASSI { 1704}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     5.200     0.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.64460E-04 ppm1      4.167 ppm2      0.901 CV     1
 ASSI { 1705}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HB3 ))
      6.000     6.000     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.61106E-04 ppm1      1.233 ppm2      2.269 CV     1
 ASSI { 1708}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      5.200     3.400     0.800 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.53494E-04 ppm1      4.564 ppm2      8.395 CV     1
 ASSI { 1712}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     6.000     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.47451E-04 ppm1      4.292 ppm2      1.713 CV     1
 OR { 1712}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1714}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      5.900     4.300     0.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.44094E-04 ppm1      3.647 ppm2      8.449 CV     1
 ASSI { 1716}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      5.800     4.200     0.200 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.41854E-04 ppm1      3.756 ppm2      7.655 CV     1
 ASSI { 1719}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.800     0.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.39841E-04 ppm1      1.820 ppm2      4.335 CV     1
 ASSI { 1723}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      6.000     6.000     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.31782E-04 ppm1      0.936 ppm2      3.954 CV     1
 ASSI { 1727}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 71   and name HG3 ))
      5.300     3.500     0.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.23277E-04 ppm1      0.936 ppm2      2.173 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -1.045  14.068  -3.403
    2   2H    MET   1          2H        MET   1  -1.397  12.509  -3.955
    3   3H    MET   1          3H        MET   1  -1.214  13.776  -5.060
    4    HA   MET   1           HA       MET   1   0.738  12.407  -5.085
    5   1HB   MET   1          2HB       MET   1   1.007  14.822  -5.436
    6   1HG   MET   1          2HG       MET   1   3.344  15.127  -4.754
    7   1HE   MET   1          1HE       MET   1   5.499  14.051  -5.930
    8   2HE   MET   1          2HE       MET   1   5.328  12.605  -4.936
    9   3HE   MET   1          3HE       MET   1   5.497  12.456  -6.684
   10    H    GLN   2           H        GLN   2   0.098  13.749  -1.861
   11    HA   GLN   2           HA       GLN   2   2.111  12.046  -0.661
   12   1HB   GLN   2          2HB       GLN   2   0.108  13.868   0.682
   13   1HG   GLN   2          2HG       GLN   2   2.987  14.457   0.087
   14   1HE2  GLN   2          1HE2      GLN   2   2.114  17.204  -0.411
   15   2HE2  GLN   2          2HE2      GLN   2   1.828  17.898   1.146
   16    H    PHE   3           H        PHE   3   1.539  10.707   1.251
   17    HA   PHE   3           HA       PHE   3  -0.996   9.287   0.767
   18   1HB   PHE   3          2HB       PHE   3   1.592   8.251   1.944
   19    HD1  PHE   3           1HD      PHE   3  -0.608   6.535  -0.407
   20    HD2  PHE   3           2HD      PHE   3   2.951   8.826   0.026
   21    HE1  PHE   3           1HE      PHE   3   0.082   5.883  -2.678
   22    HE2  PHE   3           2HE      PHE   3   3.648   8.177  -2.243
   23    HZ   PHE   3           HZ       PHE   3   2.213   6.705  -3.599
   24    H    THR   4           H        THR   4  -2.480   9.846   2.218
   25    HA   THR   4           HA       THR   4  -1.630  10.342   4.993
   26    HB   THR   4           HB       THR   4  -3.874  11.469   5.230
   27    HG1  THR   4           1HG      THR   4  -4.705  12.165   3.075
   28   1HG2  THR   4          1HG2      THR   4  -3.160  13.529   4.091
   29   2HG2  THR   4          2HG2      THR   4  -1.953  12.606   3.197
   30   3HG2  THR   4          3HG2      THR   4  -1.826  12.759   4.949
   31    HA   PRO   5           HA       PRO   5  -3.788   6.747   6.354
   32   1HB   PRO   5          2HB       PRO   5  -4.416   7.457   8.890
   33   1HG   PRO   5          2HG       PRO   5  -4.071   9.752   8.745
   34   1HD   PRO   5          2HD       PRO   5  -2.891  10.693   7.008
   35    H    ASP   6           H        ASP   6  -5.580   7.060   4.871
   36    HA   ASP   6           HA       ASP   6  -8.078   6.995   6.087
   37   1HB   ASP   6          2HB       ASP   6  -9.070   9.122   5.290
   38    H    SER   7           H        SER   7  -6.316   7.900   3.166
   39    HA   SER   7           HA       SER   7  -8.439   6.949   1.442
   40   1HB   SER   7          2HB       SER   7  -7.133   8.893   0.744
   41    HG   SER   7           HG       SER   7  -6.094   7.277  -1.136
   42    H    ALA   8           H        ALA   8  -7.925   5.370  -0.308
   43    HA   ALA   8           HA       ALA   8  -6.437   3.110   0.837
   44   1HB   ALA   8          1HB       ALA   8  -8.508   3.070  -1.355
   45   2HB   ALA   8          2HB       ALA   8  -7.788   1.674  -0.553
   46   3HB   ALA   8          3HB       ALA   8  -8.837   2.767   0.350
   47    H    TRP   9           H        TRP   9  -5.379   1.640  -0.770
   48    HA   TRP   9           HA       TRP   9  -4.505   2.831  -3.256
   49   1HB   TRP   9          2HB       TRP   9  -2.468   2.209  -1.108
   50    HD1  TRP   9           HD       TRP   9  -3.484   3.969   0.652
   51    HE1  TRP   9           1HE      TRP   9  -3.420   6.541   0.716
   52    HE3  TRP   9           3HE      TRP   9  -2.164   4.870  -4.204
   53    HZ2  TRP   9           2HZ      TRP   9  -2.881   8.670  -1.058
   54    HZ3  TRP   9           3HZ      TRP   9  -1.895   7.203  -4.941
   55    HH2  TRP   9           HH       TRP   9  -2.247   9.062  -3.397
   56    H    LYS  10           H        LYS  10  -2.751   1.310  -4.269
   57    HA   LYS  10           HA       LYS  10  -3.414  -1.479  -3.606
   58   1HB   LYS  10          2HB       LYS  10  -3.192  -0.271  -6.368
   59   1HG   LYS  10          2HG       LYS  10  -5.545  -1.611  -5.054
   60   1HD   LYS  10          2HD       LYS  10  -5.303  -0.134  -7.673
   61   1HE   LYS  10          2HE       LYS  10  -7.614  -1.654  -6.474
   62   1HZ   LYS  10          1HZ       LYS  10  -7.454  -0.059  -8.974
   63   2HZ   LYS  10          2HZ       LYS  10  -8.835  -0.825  -8.367
   64   3HZ   LYS  10          3HZ       LYS  10  -7.521  -1.748  -8.898
   65    H    ILE  11           H        ILE  11  -1.741  -2.871  -3.513
   66    HA   ILE  11           HA       ILE  11   0.918  -1.826  -3.565
   67    HB   ILE  11           HB       ILE  11  -0.001  -4.687  -3.264
   68   1HG1  ILE  11          2HG1      ILE  11   0.678  -2.592  -1.189
   69   1HG2  ILE  11          1HG2      ILE  11   2.202  -5.057  -2.248
   70   2HG2  ILE  11          2HG2      ILE  11   2.331  -4.542  -3.931
   71   3HG2  ILE  11          3HG2      ILE  11   2.648  -3.393  -2.631
   72   1HD1  ILE  11          1HD1      ILE  11   1.408  -4.806  -0.457
   73   2HD1  ILE  11          2HD1      ILE  11   0.034  -4.216   0.479
   74   3HD1  ILE  11          3HD1      ILE  11  -0.210  -5.435  -0.773
   75    H    THR  12           H        THR  12   2.302  -1.779  -5.188
   76    HA   THR  12           HA       THR  12   2.055  -3.704  -7.381
   77    HB   THR  12           HB       THR  12   2.463  -0.756  -7.900
   78    HG1  THR  12           1HG      THR  12   0.356  -0.889  -7.275
   79   1HG2  THR  12          1HG2      THR  12   1.869  -3.098  -9.710
   80   2HG2  THR  12          2HG2      THR  12   3.379  -2.193  -9.624
   81   3HG2  THR  12          3HG2      THR  12   1.917  -1.414 -10.226
   82    H    GLY  13           H        GLY  13   3.882  -3.943  -5.408
   83   1HA   GLY  13          1HA       GLY  13   6.297  -2.629  -5.552
   84   2HA   GLY  13          2HA       GLY  13   6.131  -4.325  -5.130
   85    H    PHE  14           H        PHE  14   6.872  -2.049  -7.652
   86    HA   PHE  14           HA       PHE  14   8.248  -4.154  -9.116
   87   1HB   PHE  14          2HB       PHE  14   6.060  -4.121 -10.182
   88    HD1  PHE  14           1HD      PHE  14   7.307  -5.617 -11.601
   89    HD2  PHE  14           2HD      PHE  14   7.588  -1.398 -12.083
   90    HE1  PHE  14           1HE      PHE  14   8.367  -5.942 -13.798
   91    HE2  PHE  14           2HE      PHE  14   8.648  -1.715 -14.280
   92    HZ   PHE  14           HZ       PHE  14   9.039  -3.990 -15.141
   93    H    SER  15           H        SER  15  10.223  -3.242  -8.722
   94    HA   SER  15           HA       SER  15  10.619  -0.451  -9.554
   95   1HB   SER  15          2HB       SER  15  12.483  -2.178  -7.914
   96    HG   SER  15           HG       SER  15  10.551  -1.798  -6.774
   97    H    ARG  16           H        ARG  16  13.183  -0.271 -10.156
   98    HA   ARG  16           HA       ARG  16  13.382  -1.762 -12.634
   99   1HB   ARG  16          2HB       ARG  16  15.140   0.416 -11.490
  100   1HG   ARG  16          2HG       ARG  16  14.173   1.771 -13.360
  101   1HD   ARG  16          2HD       ARG  16  12.053   0.898 -11.417
  102    HE   ARG  16           HE       ARG  16  12.278   3.133 -13.108
  103   1HH1  ARG  16          2HH1      ARG  16  11.437   2.294  -9.836
  104   2HH1  ARG  16          1HH1      ARG  16  10.370   3.641  -9.627
  105   1HH2  ARG  16          2HH2      ARG  16  10.876   4.912 -12.846
  106   2HH2  ARG  16          1HH2      ARG  16  10.051   5.132 -11.339
  107    H    ASP  17           H        ASP  17  14.715  -1.865  -9.460
  108    HA   ASP  17           HA       ASP  17  16.351  -4.150 -10.226
  109   1HB   ASP  17          2HB       ASP  17  18.316  -3.282  -8.992
  110    H    ILE  18           H        ILE  18  13.890  -3.673  -8.652
  111    HA   ILE  18           HA       ILE  18  14.136  -3.701  -5.937
  112    HB   ILE  18           HB       ILE  18  11.972  -3.829  -7.058
  113   1HG1  ILE  18          2HG1      ILE  18  12.398  -6.169  -5.187
  114   1HG2  ILE  18          1HG2      ILE  18  11.129  -5.877  -8.007
  115   2HG2  ILE  18          2HG2      ILE  18  12.646  -5.450  -8.797
  116   3HG2  ILE  18          3HG2      ILE  18  12.615  -6.725  -7.580
  117   1HD1  ILE  18          1HD1      ILE  18   9.944  -4.488  -5.636
  118   2HD1  ILE  18          2HD1      ILE  18  10.162  -6.153  -6.175
  119   3HD1  ILE  18          3HD1      ILE  18  10.126  -5.781  -4.451
  120    H    SER  19           H        SER  19  15.222  -4.886  -4.521
  121    HA   SER  19           HA       SER  19  16.637  -7.239  -5.304
  122   1HB   SER  19          2HB       SER  19  17.383  -7.302  -2.949
  123    HG   SER  19           HG       SER  19  16.466  -6.086  -1.444
  124    HA   PRO  20           HA       PRO  20  13.779 -10.431  -4.310
  125   1HB   PRO  20          2HB       PRO  20  15.402 -12.316  -3.189
  126   1HG   PRO  20          2HG       PRO  20  17.310 -11.032  -2.879
  127   1HD   PRO  20          2HD       PRO  20  17.594  -8.993  -3.922
  128    H    ALA  21           H        ALA  21  15.903  -9.275  -1.767
  129    HA   ALA  21           HA       ALA  21  14.877 -10.527   0.460
  130   1HB   ALA  21          1HB       ALA  21  16.800  -9.045   0.561
  131   2HB   ALA  21          2HB       ALA  21  15.768  -7.654   0.229
  132   3HB   ALA  21          3HB       ALA  21  15.583  -8.551   1.738
  133    H    TYR  22           H        TYR  22  13.650  -7.624  -1.162
  134    HA   TYR  22           HA       TYR  22  11.375  -7.466   0.623
  135   1HB   TYR  22          2HB       TYR  22  12.120  -5.841  -1.815
  136    HD1  TYR  22           1HD      TYR  22  14.271  -5.061  -1.240
  137    HD2  TYR  22           2HD      TYR  22  11.132  -4.891   1.626
  138    HE1  TYR  22           1HE      TYR  22  15.688  -3.679   0.220
  139    HE2  TYR  22           2HE      TYR  22  12.539  -3.508   3.094
  140    HH   TYR  22           HH       TYR  22  14.901  -3.037   3.471
  141    H    ARG  23           H        ARG  23  12.057  -8.419  -2.697
  142    HA   ARG  23           HA       ARG  23   9.339  -8.727  -3.484
  143   1HB   ARG  23          2HB       ARG  23  11.137  -8.414  -5.115
  144   1HG   ARG  23          2HG       ARG  23  10.650 -10.235  -6.694
  145   1HD   ARG  23          2HD       ARG  23   8.237  -9.235  -5.187
  146    HE   ARG  23           HE       ARG  23   8.124 -10.986  -7.224
  147   1HH1  ARG  23          2HH1      ARG  23   7.367  -7.594  -6.991
  148   2HH1  ARG  23          1HH1      ARG  23   6.142  -7.652  -8.215
  149   1HH2  ARG  23          2HH2      ARG  23   6.512 -11.074  -8.834
  150   2HH2  ARG  23          1HH2      ARG  23   5.653  -9.631  -9.260
  151    H    GLN  24           H        GLN  24  11.841 -11.199  -2.880
  152    HA   GLN  24           HA       GLN  24  10.133 -13.400  -2.908
  153   1HB   GLN  24          2HB       GLN  24  12.585 -13.555  -3.051
  154   1HG   GLN  24          2HG       GLN  24  11.477 -15.082  -0.705
  155   1HE2  GLN  24          1HE2      GLN  24  12.627 -16.902  -0.088
  156   2HE2  GLN  24          2HE2      GLN  24  14.296 -17.119  -0.479
  157    H    LYS  25           H        LYS  25  10.502 -10.973  -0.514
  158    HA   LYS  25           HA       LYS  25   9.687 -12.542   1.729
  159   1HB   LYS  25          2HB       LYS  25  11.002 -10.586   2.138
  160   1HG   LYS  25          2HG       LYS  25   8.167 -10.046   2.967
  161   1HD   LYS  25          2HD       LYS  25   9.498  -8.009   3.106
  162   1HE   LYS  25          2HE       LYS  25  11.720  -9.027   3.195
  163   1HZ   LYS  25          1HZ       LYS  25  11.004  -9.758   5.983
  164   2HZ   LYS  25          2HZ       LYS  25  12.540  -9.907   5.289
  165   3HZ   LYS  25          3HZ       LYS  25  11.256 -10.846   4.711
  166    H    LEU  26           H        LEU  26   8.054  -9.962  -0.127
  167    HA   LEU  26           HA       LEU  26   5.575 -10.091   1.053
  168   1HB   LEU  26          2HB       LEU  26   6.184  -9.612  -1.864
  169    HG   LEU  26           HG       LEU  26   7.357  -7.977  -0.490
  170   1HD1  LEU  26          1HD1      LEU  26   6.294  -5.935  -1.348
  171   2HD1  LEU  26          2HD1      LEU  26   6.392  -7.199  -2.574
  172   3HD1  LEU  26          3HD1      LEU  26   4.859  -6.870  -1.766
  173   1HD2  LEU  26          1HD2      LEU  26   6.052  -8.177   1.549
  174   2HD2  LEU  26          2HD2      LEU  26   6.111  -6.495   1.019
  175   3HD2  LEU  26          3HD2      LEU  26   4.656  -7.455   0.747
  176    H    LEU  27           H        LEU  27   6.990 -12.284  -1.268
  177    HA   LEU  27           HA       LEU  27   4.785 -13.603  -2.245
  178   1HB   LEU  27          2HB       LEU  27   7.424 -14.826  -1.436
  179    HG   LEU  27           HG       LEU  27   7.818 -13.053  -3.057
  180   1HD1  LEU  27          1HD1      LEU  27   7.925 -15.797  -4.300
  181   2HD1  LEU  27          2HD1      LEU  27   8.842 -14.388  -4.831
  182   3HD1  LEU  27          3HD1      LEU  27   9.142 -15.087  -3.239
  183   1HD2  LEU  27          1HD2      LEU  27   6.773 -13.118  -5.268
  184   2HD2  LEU  27          2HD2      LEU  27   5.771 -14.477  -4.754
  185   3HD2  LEU  27          3HD2      LEU  27   5.574 -12.899  -3.993
  186    H    SER  28           H        SER  28   6.292 -13.875   0.907
  187    HA   SER  28           HA       SER  28   5.028 -16.232   1.772
  188   1HB   SER  28          2HB       SER  28   5.581 -15.462   4.052
  189    HG   SER  28           HG       SER  28   5.472 -13.368   4.273
  190    H    LEU  29           H        LEU  29   3.928 -12.934   1.579
  191    HA   LEU  29           HA       LEU  29   1.582 -13.449   3.208
  192   1HB   LEU  29          2HB       LEU  29   2.359 -11.006   1.614
  193    HG   LEU  29           HG       LEU  29   3.933 -11.330   3.457
  194   1HD1  LEU  29          1HD1      LEU  29   1.895  -9.172   3.980
  195   2HD1  LEU  29          2HD1      LEU  29   3.535  -9.212   4.630
  196   3HD1  LEU  29          3HD1      LEU  29   3.277  -9.064   2.891
  197   1HD2  LEU  29          1HD2      LEU  29   2.528 -12.752   4.868
  198   2HD2  LEU  29          2HD2      LEU  29   3.160 -11.373   5.768
  199   3HD2  LEU  29          3HD2      LEU  29   1.485 -11.373   5.219
  200    H    GLY  30           H        GLY  30   2.487 -13.439  -0.129
  201   1HA   GLY  30          1HA       GLY  30   1.279 -14.352  -1.897
  202   2HA   GLY  30          2HA       GLY  30  -0.132 -14.441  -0.854
  203    H    MET  31           H        MET  31   1.542 -11.438  -1.002
  204    HA   MET  31           HA       MET  31  -0.705 -10.304  -2.510
  205   1HB   MET  31          2HB       MET  31   1.324  -8.981  -0.701
  206   1HG   MET  31          2HG       MET  31  -0.390 -10.298   0.489
  207   1HE   MET  31          1HE       MET  31  -2.989 -10.832   1.296
  208   2HE   MET  31          2HE       MET  31  -2.756  -9.188   1.897
  209   3HE   MET  31          3HE       MET  31  -4.222  -9.602   1.009
  210    H    LEU  32           H        LEU  32  -0.042 -10.711  -4.604
  211    HA   LEU  32           HA       LEU  32   2.571  -9.801  -5.494
  212   1HB   LEU  32          2HB       LEU  32   0.279 -11.171  -6.894
  213    HG   LEU  32           HG       LEU  32   3.086 -12.129  -6.319
  214   1HD1  LEU  32          1HD1      LEU  32   0.406 -12.934  -5.205
  215   2HD1  LEU  32          2HD1      LEU  32   1.888 -13.865  -4.994
  216   3HD1  LEU  32          3HD1      LEU  32   1.768 -12.238  -4.328
  217   1HD2  LEU  32          1HD2      LEU  32   2.276 -12.890  -8.493
  218   2HD2  LEU  32          2HD2      LEU  32   2.359 -14.222  -7.340
  219   3HD2  LEU  32          3HD2      LEU  32   0.802 -13.495  -7.738
  220    HA   PRO  33           HA       PRO  33   1.794  -5.811  -7.164
  221   1HB   PRO  33          2HB       PRO  33   2.077  -7.069  -9.870
  222   1HG   PRO  33          2HG       PRO  33   4.238  -7.801  -9.399
  223   1HD   PRO  33          2HD       PRO  33   3.122  -9.366  -8.155
  224    H    GLY  34           H        GLY  34  -0.260  -5.163  -6.924
  225   1HA   GLY  34          1HA       GLY  34  -2.213  -4.533  -8.314
  226   2HA   GLY  34          2HA       GLY  34  -2.265  -6.214  -8.823
  227    H    SER  35           H        SER  35  -1.597  -5.252  -5.523
  228    HA   SER  35           HA       SER  35  -4.103  -6.554  -4.715
  229   1HB   SER  35          2HB       SER  35  -2.060  -7.513  -3.756
  230    HG   SER  35           HG       SER  35  -2.649  -6.761  -1.424
  231    H    SER  36           H        SER  36  -4.937  -5.640  -2.519
  232    HA   SER  36           HA       SER  36  -5.029  -2.702  -2.739
  233   1HB   SER  36          2HB       SER  36  -7.158  -3.701  -3.416
  234    HG   SER  36           HG       SER  36  -7.537  -2.690  -0.807
  235    H    PHE  37           H        PHE  37  -4.800  -1.503  -0.906
  236    HA   PHE  37           HA       PHE  37  -4.885  -2.760   1.703
  237   1HB   PHE  37          2HB       PHE  37  -2.623  -2.307   2.328
  238    HD1  PHE  37           1HD      PHE  37  -1.609  -0.221   2.564
  239    HD2  PHE  37           2HD      PHE  37  -2.234  -1.824  -1.328
  240    HE1  PHE  37           1HE      PHE  37  -0.250   1.591   1.604
  241    HE2  PHE  37           2HE      PHE  37  -0.871  -0.017  -2.294
  242    HZ   PHE  37           HZ       PHE  37   0.121   1.693  -0.828
  243    H    HIS  38           H        HIS  38  -4.664  -1.194   3.465
  244    HA   HIS  38           HA       HIS  38  -5.416   1.520   2.594
  245   1HB   HIS  38          2HB       HIS  38  -6.213   0.049   5.114
  246    HD1  HIS  38           1HD      HIS  38  -7.509  -1.824   3.955
  247    HD2  HIS  38           2HD      HIS  38  -8.620   1.984   2.721
  248    HE1  HIS  38           1HE      HIS  38  -9.623  -2.137   2.628
  249    HE2  HIS  38           2HE      HIS  38 -10.236   0.171   1.830
  250    H    VAL  39           H        VAL  39  -4.816   3.274   4.080
  251    HA   VAL  39           HA       VAL  39  -2.122   2.823   5.139
  252    HB   VAL  39           HB       VAL  39  -3.557   5.423   4.580
  253   1HG1  VAL  39          1HG1      VAL  39  -1.875   5.658   6.322
  254   2HG1  VAL  39          2HG1      VAL  39  -0.675   4.878   5.290
  255   3HG1  VAL  39          3HG1      VAL  39  -1.343   6.447   4.836
  256   1HG2  VAL  39          1HG2      VAL  39  -2.102   5.593   2.630
  257   2HG2  VAL  39          2HG2      VAL  39  -1.410   4.012   2.999
  258   3HG2  VAL  39          3HG2      VAL  39  -3.109   4.148   2.545
  259    H    VAL  40           H        VAL  40  -1.625   3.014   7.249
  260    HA   VAL  40           HA       VAL  40  -3.826   3.485   9.111
  261    HB   VAL  40           HB       VAL  40  -1.035   2.454   9.645
  262   1HG1  VAL  40          1HG1      VAL  40  -1.975   1.764  11.824
  263   2HG1  VAL  40          2HG1      VAL  40  -1.952   3.514  11.611
  264   3HG1  VAL  40          3HG1      VAL  40  -3.463   2.622  11.428
  265   1HG2  VAL  40          1HG2      VAL  40  -3.648   0.953   9.491
  266   2HG2  VAL  40          2HG2      VAL  40  -2.393   0.945   8.252
  267   3HG2  VAL  40          3HG2      VAL  40  -2.062   0.267   9.846
  268    H    ARG  41           H        ARG  41  -0.468   4.554   8.595
  269    HA   ARG  41           HA       ARG  41  -1.122   7.229   9.414
  270   1HB   ARG  41          2HB       ARG  41   0.403   7.354  11.306
  271   1HG   ARG  41          2HG       ARG  41   0.716   4.368  11.101
  272   1HD   ARG  41          2HD       ARG  41   2.349   4.670  12.877
  273    HE   ARG  41           HE       ARG  41  -0.344   4.900  13.325
  274   1HH1  ARG  41          2HH1      ARG  41   2.550   6.055  14.881
  275   2HH1  ARG  41          1HH1      ARG  41   1.852   6.059  16.467
  276   1HH2  ARG  41          2HH2      ARG  41  -1.273   4.901  15.406
  277   2HH2  ARG  41          1HH2      ARG  41  -0.321   5.400  16.766
  278    H    VAL  42           H        VAL  42   0.288   8.701   8.571
  279    HA   VAL  42           HA       VAL  42   2.899   7.801   7.623
  280    HB   VAL  42           HB       VAL  42   0.986   9.192   5.748
  281   1HG1  VAL  42          1HG1      VAL  42   3.317   9.639   5.280
  282   2HG1  VAL  42          2HG1      VAL  42   3.683   7.914   5.325
  283   3HG1  VAL  42          3HG1      VAL  42   2.656   8.565   4.048
  284   1HG2  VAL  42          1HG2      VAL  42   0.703   7.088   4.603
  285   2HG2  VAL  42          2HG2      VAL  42   1.784   6.284   5.742
  286   3HG2  VAL  42          3HG2      VAL  42   0.225   6.899   6.290
  287    H    ALA  43           H        ALA  43   4.312   9.562   7.001
  288    HA   ALA  43           HA       ALA  43   3.503  12.159   8.137
  289   1HB   ALA  43          1HB       ALA  43   5.066  10.977   9.624
  290   2HB   ALA  43          2HB       ALA  43   6.241  10.903   8.312
  291   3HB   ALA  43          3HB       ALA  43   5.760  12.464   8.979
  292    HA   PRO  44           HA       PRO  44   4.721  13.871   4.247
  293   1HB   PRO  44          2HB       PRO  44   5.141  16.440   4.951
  294   1HG   PRO  44          2HG       PRO  44   5.337  16.185   7.255
  295   1HD   PRO  44          2HD       PRO  44   4.619  14.280   8.327
  296    H    LEU  45           H        LEU  45   6.833  14.015   7.001
  297    HA   LEU  45           HA       LEU  45   9.084  14.945   5.397
  298   1HB   LEU  45          2HB       LEU  45   8.799  15.868   7.641
  299    HG   LEU  45           HG       LEU  45  11.226  14.075   7.500
  300   1HD1  LEU  45          1HD1      LEU  45  12.379  16.090   6.757
  301   2HD1  LEU  45          2HD1      LEU  45  11.070  15.664   5.654
  302   3HD1  LEU  45          3HD1      LEU  45  10.861  16.985   6.802
  303   1HD2  LEU  45          1HD2      LEU  45  10.650  16.434   9.289
  304   2HD2  LEU  45          2HD2      LEU  45  10.766  14.749   9.795
  305   3HD2  LEU  45          3HD2      LEU  45  12.190  15.583   9.170
  306    H    GLY  46           H        GLY  46   8.144  12.107   7.318
  307   1HA   GLY  46          1HA       GLY  46   8.898  10.074   5.780
  308   2HA   GLY  46          2HA       GLY  46  10.464  10.633   6.347
  309    H    ASP  47           H        ASP  47   7.640   8.846   7.096
  310    HA   ASP  47           HA       ASP  47   8.841   8.041   9.639
  311   1HB   ASP  47          2HB       ASP  47   6.029   9.049   9.245
  312    HA   PRO  48           HA       PRO  48   7.489   4.013   8.444
  313   1HB   PRO  48          2HB       PRO  48   6.843   3.065  11.049
  314   1HG   PRO  48          2HG       PRO  48   7.924   4.444  12.493
  315   1HD   PRO  48          2HD       PRO  48   6.782   6.222  11.568
  316    H    VAL  49           H        VAL  49   5.654   3.624   7.405
  317    HA   VAL  49           HA       VAL  49   3.099   4.060   8.791
  318    HB   VAL  49           HB       VAL  49   3.157   5.378   6.830
  319   1HG1  VAL  49          1HG1      VAL  49   5.063   4.408   5.734
  320   2HG1  VAL  49          2HG1      VAL  49   4.157   2.935   5.378
  321   3HG1  VAL  49          3HG1      VAL  49   3.709   4.453   4.604
  322   1HG2  VAL  49          1HG2      VAL  49   1.654   2.846   6.165
  323   2HG2  VAL  49          2HG2      VAL  49   1.041   4.209   7.099
  324   3HG2  VAL  49          3HG2      VAL  49   1.414   4.410   5.387
  325    H    HIS  50           H        HIS  50   1.384   2.530   8.430
  326    HA   HIS  50           HA       HIS  50   2.366  -0.193   7.885
  327   1HB   HIS  50          2HB       HIS  50   0.227   0.592   9.875
  328    HD1  HIS  50           1HD      HIS  50   2.756  -1.744  11.022
  329    HD2  HIS  50           2HD      HIS  50   2.267   2.383  11.001
  330    HE1  HIS  50           1HE      HIS  50   4.384  -0.865  12.726
  331    HE2  HIS  50           2HE      HIS  50   4.012   1.627  12.754
  332    H    ILE  51           H        ILE  51   1.191  -1.448   6.539
  333    HA   ILE  51           HA       ILE  51  -1.144  -0.192   5.278
  334    HB   ILE  51           HB       ILE  51  -0.802  -1.763   3.431
  335   1HG1  ILE  51          2HG1      ILE  51   1.612  -2.682   5.008
  336   1HG2  ILE  51          1HG2      ILE  51   1.686  -0.253   4.219
  337   2HG2  ILE  51          2HG2      ILE  51   1.316  -0.840   2.597
  338   3HG2  ILE  51          3HG2      ILE  51   0.301   0.395   3.342
  339   1HD1  ILE  51          1HD1      ILE  51   1.945  -4.311   3.236
  340   2HD1  ILE  51          2HD1      ILE  51   0.622  -3.594   2.317
  341   3HD1  ILE  51          3HD1      ILE  51   2.090  -2.664   2.623
  342    H    GLU  52           H        GLU  52  -3.092  -1.244   5.071
  343    HA   GLU  52           HA       GLU  52  -3.429  -3.603   6.793
  344   1HB   GLU  52          2HB       GLU  52  -5.474  -1.572   5.878
  345   1HG   GLU  52          2HG       GLU  52  -3.921  -0.703   7.592
  346    H    THR  53           H        THR  53  -3.436  -5.429   5.678
  347    HA   THR  53           HA       THR  53  -4.755  -5.476   3.045
  348    HB   THR  53           HB       THR  53  -3.373  -7.442   2.524
  349    HG1  THR  53           1HG      THR  53  -1.596  -7.858   4.041
  350   1HG2  THR  53          1HG2      THR  53  -1.215  -6.295   2.340
  351   2HG2  THR  53          2HG2      THR  53  -1.758  -5.082   3.498
  352   3HG2  THR  53          3HG2      THR  53  -2.545  -5.215   1.926
  353    H    ARG  54           H        ARG  54  -5.210  -8.069   2.622
  354    HA   ARG  54           HA       ARG  54  -7.556  -8.629   3.963
  355   1HB   ARG  54          2HB       ARG  54  -5.669 -10.573   2.626
  356   1HG   ARG  54          2HG       ARG  54  -6.436  -8.846   1.090
  357   1HD   ARG  54          2HD       ARG  54  -9.186  -9.733   1.947
  358    HE   ARG  54           HE       ARG  54  -8.448  -8.685  -0.543
  359   1HH1  ARG  54          2HH1      ARG  54 -10.732  -8.111   2.021
  360   2HH1  ARG  54          1HH1      ARG  54 -11.929  -7.421   0.978
  361   1HH2  ARG  54          2HH2      ARG  54 -10.022  -7.780  -1.931
  362   2HH2  ARG  54          1HH2      ARG  54 -11.528  -7.237  -1.269
  363    H    ARG  55           H        ARG  55  -7.440  -8.504   6.173
  364    HA   ARG  55           HA       ARG  55  -7.070  -9.151   8.312
  365   1HB   ARG  55          2HB       ARG  55  -6.714 -11.838   6.977
  366   1HG   ARG  55          2HG       ARG  55  -9.158 -10.633   8.260
  367   1HD   ARG  55          2HD       ARG  55 -10.280 -12.652   7.447
  368    HE   ARG  55           HE       ARG  55  -8.673 -12.640   9.653
  369   1HH1  ARG  55          2HH1      ARG  55  -9.667 -15.048   7.341
  370   2HH1  ARG  55          1HH1      ARG  55  -9.560 -16.359   8.466
  371   1HH2  ARG  55          2HH2      ARG  55  -8.527 -14.362  11.143
  372   2HH2  ARG  55          1HH2      ARG  55  -8.911 -15.970  10.628
  373    H    VAL  56           H        VAL  56  -4.782  -8.100   7.006
  374    HA   VAL  56           HA       VAL  56  -2.739  -9.182   8.740
  375    HB   VAL  56           HB       VAL  56  -2.296  -9.180   5.751
  376   1HG1  VAL  56          1HG1      VAL  56  -0.440  -9.892   8.019
  377   2HG1  VAL  56          2HG1      VAL  56  -0.094 -10.128   6.305
  378   3HG1  VAL  56          3HG1      VAL  56  -0.300  -8.498   6.947
  379   1HG2  VAL  56          1HG2      VAL  56  -1.999 -11.616   6.037
  380   2HG2  VAL  56          2HG2      VAL  56  -2.503 -11.455   7.719
  381   3HG2  VAL  56          3HG2      VAL  56  -3.632 -11.078   6.418
  382    H    SER  57           H        SER  57  -1.424  -7.610   9.448
  383    HA   SER  57           HA       SER  57  -1.547  -5.015   8.060
  384   1HB   SER  57          2HB       SER  57  -2.535  -4.961  10.303
  385    HG   SER  57           HG       SER  57  -0.396  -3.607  11.087
  386    H    LEU  58           H        LEU  58   0.222  -4.781   6.849
  387    HA   LEU  58           HA       LEU  58   2.803  -5.702   7.900
  388   1HB   LEU  58          2HB       LEU  58   2.146  -6.468   5.646
  389    HG   LEU  58           HG       LEU  58   4.472  -4.541   5.520
  390   1HD1  LEU  58          1HD1      LEU  58   5.847  -6.492   6.005
  391   2HD1  LEU  58          2HD1      LEU  58   4.702  -6.186   7.311
  392   3HD1  LEU  58          3HD1      LEU  58   4.398  -7.485   6.161
  393   1HD2  LEU  58          1HD2      LEU  58   3.680  -5.196   3.306
  394   2HD2  LEU  58          2HD2      LEU  58   5.242  -5.932   3.666
  395   3HD2  LEU  58          3HD2      LEU  58   3.769  -6.895   3.769
  396    H    VAL  59           H        VAL  59   4.653  -4.306   7.793
  397    HA   VAL  59           HA       VAL  59   3.917  -1.469   8.043
  398    HB   VAL  59           HB       VAL  59   4.897  -2.495  10.062
  399   1HG1  VAL  59          1HG1      VAL  59   7.335  -2.876   8.328
  400   2HG1  VAL  59          2HG1      VAL  59   7.271  -3.119  10.074
  401   3HG1  VAL  59          3HG1      VAL  59   6.323  -4.152   9.003
  402   1HG2  VAL  59          1HG2      VAL  59   6.635  -0.421   8.730
  403   2HG2  VAL  59          2HG2      VAL  59   5.179  -0.115   9.676
  404   3HG2  VAL  59          3HG2      VAL  59   6.615  -0.780  10.456
  405    H    LEU  60           H        LEU  60   4.942   0.082   6.870
  406    HA   LEU  60           HA       LEU  60   7.080  -0.774   5.041
  407   1HB   LEU  60          2HB       LEU  60   4.734   1.002   4.363
  408    HG   LEU  60           HG       LEU  60   4.080  -1.344   4.240
  409   1HD1  LEU  60          1HD1      LEU  60   4.603  -0.138   1.528
  410   2HD1  LEU  60          2HD1      LEU  60   3.458  -1.434   1.875
  411   3HD1  LEU  60          3HD1      LEU  60   3.204   0.174   2.556
  412   1HD2  LEU  60          1HD2      LEU  60   6.288  -2.344   4.044
  413   2HD2  LEU  60          2HD2      LEU  60   5.242  -2.887   2.734
  414   3HD2  LEU  60          3HD2      LEU  60   6.470  -1.659   2.430
  415    H    ARG  61           H        ARG  61   8.269   1.134   4.099
  416    HA   ARG  61           HA       ARG  61   8.453   3.313   6.069
  417   1HB   ARG  61          2HB       ARG  61  10.730   1.924   4.642
  418   1HG   ARG  61          2HG       ARG  61  10.111   2.048   7.588
  419   1HD   ARG  61          2HD       ARG  61  12.229   0.525   6.076
  420    HE   ARG  61           HE       ARG  61  11.247  -0.088   8.536
  421   1HH1  ARG  61          2HH1      ARG  61  14.302   1.099   7.359
  422   2HH1  ARG  61          1HH1      ARG  61  15.227   0.342   8.611
  423   1HH2  ARG  61          2HH2      ARG  61  12.458  -1.088  10.194
  424   2HH2  ARG  61          1HH2      ARG  61  14.179  -0.899  10.225
  425    H    LYS  62           H        LYS  62   8.587   5.349   5.283
  426    HA   LYS  62           HA       LYS  62   7.662   6.048   2.818
  427   1HB   LYS  62          2HB       LYS  62   7.916   7.631   4.676
  428   1HG   LYS  62          2HG       LYS  62   9.197   9.500   3.336
  429   1HD   LYS  62          2HD       LYS  62   6.786   9.470   3.681
  430   1HE   LYS  62          2HE       LYS  62   6.812   7.494   1.411
  431   1HZ   LYS  62          1HZ       LYS  62   4.410   7.664   1.433
  432   2HZ   LYS  62          2HZ       LYS  62   5.094   9.155   1.018
  433   3HZ   LYS  62          3HZ       LYS  62   4.476   8.913   2.574
  434    H    LYS  63           H        LYS  63  10.913   5.114   3.651
  435    HA   LYS  63           HA       LYS  63  12.004   5.970   1.111
  436   1HB   LYS  63          2HB       LYS  63  14.086   4.850   1.936
  437   1HG   LYS  63          2HG       LYS  63  12.550   4.476   4.496
  438   1HD   LYS  63          2HD       LYS  63  15.346   3.628   3.761
  439   1HE   LYS  63          2HE       LYS  63  14.207   2.284   5.490
  440   1HZ   LYS  63          1HZ       LYS  63  14.063   4.861   6.956
  441   2HZ   LYS  63          2HZ       LYS  63  13.751   3.342   7.629
  442   3HZ   LYS  63          3HZ       LYS  63  12.746   3.948   6.411
  443    H    ASP  64           H        ASP  64  10.809   3.056   2.609
  444    HA   ASP  64           HA       ASP  64  11.809   1.226   0.681
  445   1HB   ASP  64          2HB       ASP  64  11.096   0.500   2.913
  446    H    LEU  65           H        LEU  65   8.866   3.131   0.964
  447    HA   LEU  65           HA       LEU  65   7.393   1.893  -1.089
  448   1HB   LEU  65          2HB       LEU  65   7.315   4.646   0.114
  449    HG   LEU  65           HG       LEU  65   5.420   2.302   0.243
  450   1HD1  LEU  65          1HD1      LEU  65   6.879   3.840   2.383
  451   2HD1  LEU  65          2HD1      LEU  65   5.772   2.494   2.645
  452   3HD1  LEU  65          3HD1      LEU  65   7.298   2.228   1.801
  453   1HD2  LEU  65          1HD2      LEU  65   3.943   3.747   1.548
  454   2HD2  LEU  65          2HD2      LEU  65   5.001   5.120   1.231
  455   3HD2  LEU  65          3HD2      LEU  65   4.139   4.346  -0.098
  456    H    ALA  66           H        ALA  66  10.058   4.084  -1.174
  457    HA   ALA  66           HA       ALA  66   9.714   5.346  -3.622
  458   1HB   ALA  66          1HB       ALA  66  12.314   4.390  -2.430
  459   2HB   ALA  66          2HB       ALA  66  12.122   5.648  -3.652
  460   3HB   ALA  66          3HB       ALA  66  11.494   5.899  -2.023
  461    H    LEU  67           H        LEU  67  10.764   2.075  -2.912
  462    HA   LEU  67           HA       LEU  67  11.551   1.551  -5.645
  463   1HB   LEU  67          2HB       LEU  67  11.226  -0.341  -3.315
  464    HG   LEU  67           HG       LEU  67  13.051   1.248  -2.883
  465   1HD1  LEU  67          1HD1      LEU  67  14.008  -1.501  -3.672
  466   2HD1  LEU  67          2HD1      LEU  67  14.837  -0.388  -2.583
  467   3HD1  LEU  67          3HD1      LEU  67  13.271  -1.063  -2.131
  468   1HD2  LEU  67          1HD2      LEU  67  13.518   1.864  -5.207
  469   2HD2  LEU  67          2HD2      LEU  67  14.979   1.346  -4.364
  470   3HD2  LEU  67          3HD2      LEU  67  14.181   0.255  -5.497
  471    H    ILE  68           H        ILE  68   9.117   0.093  -3.477
  472    HA   ILE  68           HA       ILE  68   7.739  -1.240  -5.549
  473    HB   ILE  68           HB       ILE  68   5.942  -1.578  -3.913
  474   1HG1  ILE  68          2HG1      ILE  68   7.573   0.300  -2.190
  475   1HG2  ILE  68          1HG2      ILE  68   8.705  -1.941  -2.761
  476   2HG2  ILE  68          2HG2      ILE  68   7.252  -2.793  -2.238
  477   3HG2  ILE  68          3HG2      ILE  68   7.884  -3.043  -3.865
  478   1HD1  ILE  68          1HD1      ILE  68   5.825   0.017  -0.506
  479   2HD1  ILE  68          2HD1      ILE  68   5.096  -1.254  -1.486
  480   3HD1  ILE  68          3HD1      ILE  68   6.706  -1.482  -0.804
  481    H    GLU  69           H        GLU  69   5.851  -0.748  -6.638
  482    HA   GLU  69           HA       GLU  69   5.269   2.104  -6.849
  483   1HB   GLU  69          2HB       GLU  69   5.726   0.644  -8.867
  484   1HG   GLU  69          2HG       GLU  69   3.018   1.955  -8.890
  485    H    LEU  70           H        LEU  70   3.092   2.901  -6.858
  486    HA   LEU  70           HA       LEU  70   1.153   1.172  -5.477
  487   1HB   LEU  70          2HB       LEU  70   1.734   4.061  -4.816
  488    HG   LEU  70           HG       LEU  70   3.419   2.579  -3.809
  489   1HD1  LEU  70          1HD1      LEU  70   2.700   4.563  -2.600
  490   2HD1  LEU  70          2HD1      LEU  70   1.393   3.647  -1.850
  491   3HD1  LEU  70          3HD1      LEU  70   3.071   3.249  -1.484
  492   1HD2  LEU  70          1HD2      LEU  70   2.092   0.521  -3.774
  493   2HD2  LEU  70          2HD2      LEU  70   2.757   0.892  -2.183
  494   3HD2  LEU  70          3HD2      LEU  70   1.057   1.212  -2.523
  495    H    GLU  71           H        GLU  71  -1.028   1.594  -5.901
  496    HA   GLU  71           HA       GLU  71  -1.598   3.561  -8.004
  497   1HB   GLU  71          2HB       GLU  71  -1.365   1.408  -9.120
  498   1HG   GLU  71          2HG       GLU  71  -4.280   2.111  -8.849
  499    H    ALA  72           H        ALA  72  -3.058   4.923  -7.230
  500    HA   ALA  72           HA       ALA  72  -4.606   4.470  -4.931
  501   1HB   ALA  72          1HB       ALA  72  -5.046   6.500  -7.118
  502   2HB   ALA  72          2HB       ALA  72  -5.751   6.547  -5.502
  503   3HB   ALA  72          3HB       ALA  72  -4.007   6.708  -5.708
  504    H    VAL  73           H        VAL  73  -6.770   4.003  -4.631
  505    HA   VAL  73           HA       VAL  73  -7.940   2.132  -6.356
  506    HB   VAL  73           HB       VAL  73  -9.984   2.394  -4.993
  507   1HG1  VAL  73          1HG1      VAL  73  -7.420   2.297  -3.407
  508   2HG1  VAL  73          2HG1      VAL  73  -8.992   1.717  -2.856
  509   3HG1  VAL  73          3HG1      VAL  73  -8.193   0.938  -4.221
  510   1HG2  VAL  73          1HG2      VAL  73  -9.872   4.820  -4.665
  511   2HG2  VAL  73          2HG2      VAL  73 -10.019   3.966  -3.128
  512   3HG2  VAL  73          3HG2      VAL  73  -8.458   4.614  -3.633
  513    H    ALA  74           H        ALA  74 -10.442   2.552  -6.920
  514    HA   ALA  74           HA       ALA  74 -10.363   4.656  -8.927
  515   1HB   ALA  74          1HB       ALA  74 -11.079   2.407  -9.579
  516   2HB   ALA  74          2HB       ALA  74 -12.433   2.514  -8.453
  517   3HB   ALA  74          3HB       ALA  74 -12.354   3.597  -9.842
  518    H    GLN  75           H        GLN  75 -10.812   6.608  -8.059
  519    HA   GLN  75           HA       GLN  75 -12.527   7.134  -5.921
  520   1HB   GLN  75          2HB       GLN  75 -11.756   8.936  -8.224
  521   1HG   GLN  75          2HG       GLN  75  -9.813   8.154  -6.972
  522   1HE2  GLN  75          1HE2      GLN  75 -10.188   6.715  -5.284
  523   2HE2  GLN  75          2HE2      GLN  75 -10.341   7.244  -3.647
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -2.721  12.358  -5.112
    2   2H    MET   1          2H        MET   1  -3.634  13.780  -5.134
    3   3H    MET   1          3H        MET   1  -3.323  12.999  -3.667
    4    HA   MET   1           HA       MET   1  -1.294  14.259  -5.418
    5   1HB   MET   1          2HB       MET   1  -2.309  15.122  -2.702
    6   1HG   MET   1          2HG       MET   1  -3.986  15.598  -4.403
    7   1HE   MET   1          1HE       MET   1  -4.036  17.839  -7.586
    8   2HE   MET   1          2HE       MET   1  -4.982  16.909  -6.426
    9   3HE   MET   1          3HE       MET   1  -4.226  18.423  -5.933
   10    H    GLN   2           H        GLN   2  -1.852  13.131  -2.077
   11    HA   GLN   2           HA       GLN   2   0.710  11.709  -2.212
   12   1HB   GLN   2          2HB       GLN   2   1.287  12.465   0.047
   13   1HG   GLN   2          2HG       GLN   2  -1.147  14.207  -0.186
   14   1HE2  GLN   2          1HE2      GLN   2  -0.054  16.166  -0.016
   15   2HE2  GLN   2          2HE2      GLN   2   0.748  16.647   1.437
   16    H    PHE   3           H        PHE   3   0.880  10.501   0.119
   17    HA   PHE   3           HA       PHE   3  -1.536   8.849   0.218
   18   1HB   PHE   3          2HB       PHE   3   1.242   8.300   1.287
   19    HD1  PHE   3           1HD      PHE   3  -0.831   6.059  -0.714
   20    HD2  PHE   3           2HD      PHE   3   2.411   8.818  -0.769
   21    HE1  PHE   3           1HE      PHE   3  -0.179   5.242  -2.940
   22    HE2  PHE   3           2HE      PHE   3   3.068   8.005  -2.997
   23    HZ   PHE   3           HZ       PHE   3   1.773   6.214  -4.085
   24    H    THR   4           H        THR   4  -2.945   9.617   1.679
   25    HA   THR   4           HA       THR   4  -1.907  10.399   4.323
   26    HB   THR   4           HB       THR   4  -4.061  11.623   4.616
   27    HG1  THR   4           1HG      THR   4  -5.564  11.175   3.200
   28   1HG2  THR   4          1HG2      THR   4  -2.020  12.776   3.879
   29   2HG2  THR   4          2HG2      THR   4  -3.468  13.505   3.186
   30   3HG2  THR   4          3HG2      THR   4  -2.452  12.454   2.200
   31    HA   PRO   5           HA       PRO   5  -4.070   7.028   6.162
   32   1HB   PRO   5          2HB       PRO   5  -4.610   7.989   8.620
   33   1HG   PRO   5          2HG       PRO   5  -4.364  10.265   8.208
   34   1HD   PRO   5          2HD       PRO   5  -3.274  11.046   6.340
   35    H    ASP   6           H        ASP   6  -5.908   7.207   4.689
   36    HA   ASP   6           HA       ASP   6  -8.369   7.264   5.980
   37   1HB   ASP   6          2HB       ASP   6  -8.076   9.679   6.161
   38    H    SER   7           H        SER   7  -6.766   8.008   2.907
   39    HA   SER   7           HA       SER   7  -8.906   6.732   1.402
   40   1HB   SER   7          2HB       SER   7  -6.337   8.048   0.483
   41    HG   SER   7           HG       SER   7  -9.036   8.924   0.453
   42    H    ALA   8           H        ALA   8  -8.613   4.911   0.073
   43    HA   ALA   8           HA       ALA   8  -6.564   3.078   1.051
   44   1HB   ALA   8          1HB       ALA   8  -8.980   2.574  -0.680
   45   2HB   ALA   8          2HB       ALA   8  -7.875   1.336  -0.082
   46   3HB   ALA   8          3HB       ALA   8  -8.851   2.271   1.052
   47    H    TRP   9           H        TRP   9  -5.125   1.985  -0.282
   48    HA   TRP   9           HA       TRP   9  -4.926   2.913  -3.061
   49   1HB   TRP   9          2HB       TRP   9  -2.562   2.649  -1.193
   50    HD1  TRP   9           HD       TRP   9  -3.796   4.309   0.621
   51    HE1  TRP   9           1HE      TRP   9  -3.949   6.878   0.649
   52    HE3  TRP   9           3HE      TRP   9  -2.681   5.245  -4.282
   53    HZ2  TRP   9           2HZ      TRP   9  -3.639   9.018  -1.166
   54    HZ3  TRP   9           3HZ      TRP   9  -2.631   7.579  -5.055
   55    HH2  TRP   9           HH       TRP   9  -3.100   9.426  -3.528
   56    H    LYS  10           H        LYS  10  -3.153   1.534  -4.219
   57    HA   LYS  10           HA       LYS  10  -3.467  -1.262  -3.352
   58   1HB   LYS  10          2HB       LYS  10  -3.468  -0.195  -6.179
   59   1HG   LYS  10          2HG       LYS  10  -5.629  -1.424  -4.494
   60   1HD   LYS  10          2HD       LYS  10  -7.011  -1.420  -6.523
   61   1HE   LYS  10          2HE       LYS  10  -4.503  -3.034  -6.953
   62   1HZ   LYS  10          1HZ       LYS  10  -7.336  -3.609  -7.625
   63   2HZ   LYS  10          2HZ       LYS  10  -6.019  -4.629  -7.914
   64   3HZ   LYS  10          3HZ       LYS  10  -6.142  -3.155  -8.734
   65    H    ILE  11           H        ILE  11  -1.702  -2.558  -3.391
   66    HA   ILE  11           HA       ILE  11   0.866  -1.289  -3.579
   67    HB   ILE  11           HB       ILE  11   0.186  -4.202  -3.147
   68   1HG1  ILE  11          2HG1      ILE  11   0.824  -1.987  -1.188
   69   1HG2  ILE  11          1HG2      ILE  11   2.774  -2.707  -2.732
   70   2HG2  ILE  11          2HG2      ILE  11   2.471  -4.378  -2.254
   71   3HG2  ILE  11          3HG2      ILE  11   2.456  -3.932  -3.962
   72   1HD1  ILE  11          1HD1      ILE  11   0.267  -4.892  -0.652
   73   2HD1  ILE  11          2HD1      ILE  11   1.806  -4.062  -0.409
   74   3HD1  ILE  11          3HD1      ILE  11   0.402  -3.622   0.565
   75    H    THR  12           H        THR  12   2.407  -1.508  -5.116
   76    HA   THR  12           HA       THR  12   1.969  -3.350  -7.343
   77    HB   THR  12           HB       THR  12   2.596  -0.431  -7.822
   78    HG1  THR  12           1HG      THR  12   0.490  -0.094  -8.112
   79   1HG2  THR  12          1HG2      THR  12   1.813  -2.675  -9.690
   80   2HG2  THR  12          2HG2      THR  12   3.415  -1.953  -9.554
   81   3HG2  THR  12          3HG2      THR  12   2.065  -0.994 -10.158
   82    H    GLY  13           H        GLY  13   3.773  -3.830  -5.440
   83   1HA   GLY  13          1HA       GLY  13   6.280  -2.708  -5.504
   84   2HA   GLY  13          2HA       GLY  13   5.980  -4.410  -5.190
   85    H    PHE  14           H        PHE  14   6.890  -2.040  -7.571
   86    HA   PHE  14           HA       PHE  14   8.120  -4.147  -9.160
   87   1HB   PHE  14          2HB       PHE  14   5.870  -3.804 -10.152
   88    HD1  PHE  14           1HD      PHE  14   6.706  -5.488 -11.613
   89    HD2  PHE  14           2HD      PHE  14   7.967  -1.445 -12.033
   90    HE1  PHE  14           1HE      PHE  14   7.693  -6.027 -13.801
   91    HE2  PHE  14           2HE      PHE  14   8.955  -1.977 -14.222
   92    HZ   PHE  14           HZ       PHE  14   8.814  -4.276 -15.110
   93    H    SER  15           H        SER  15  10.165  -3.425  -8.790
   94    HA   SER  15           HA       SER  15  10.750  -0.596  -9.305
   95   1HB   SER  15          2HB       SER  15  12.517  -2.692  -8.026
   96    HG   SER  15           HG       SER  15  10.959  -2.334  -6.556
   97    H    ARG  16           H        ARG  16  13.333  -0.597  -9.997
   98    HA   ARG  16           HA       ARG  16  13.235  -1.476 -12.730
   99   1HB   ARG  16          2HB       ARG  16  15.381  -0.074 -11.130
  100   1HG   ARG  16          2HG       ARG  16  14.847   1.867 -12.498
  101   1HD   ARG  16          2HD       ARG  16  12.293   0.827 -11.297
  102    HE   ARG  16           HE       ARG  16  12.937   3.345 -12.248
  103   1HH1  ARG  16          2HH1      ARG  16  11.819   1.919  -9.274
  104   2HH1  ARG  16          1HH1      ARG  16  10.941   3.326  -8.775
  105   1HH2  ARG  16          2HH2      ARG  16  11.782   5.208 -11.598
  106   2HH2  ARG  16          1HH2      ARG  16  10.920   5.196 -10.095
  107    H    ASP  17           H        ASP  17  14.733  -2.554  -9.774
  108    HA   ASP  17           HA       ASP  17  15.421  -5.068 -10.984
  109   1HB   ASP  17          2HB       ASP  17  17.373  -3.704 -11.616
  110    H    ILE  18           H        ILE  18  13.670  -4.347  -8.915
  111    HA   ILE  18           HA       ILE  18  14.515  -4.421  -6.326
  112    HB   ILE  18           HB       ILE  18  12.164  -4.233  -6.904
  113   1HG1  ILE  18          2HG1      ILE  18  12.717  -6.646  -5.163
  114   1HG2  ILE  18          1HG2      ILE  18  12.087  -5.799  -8.755
  115   2HG2  ILE  18          2HG2      ILE  18  12.342  -7.149  -7.648
  116   3HG2  ILE  18          3HG2      ILE  18  10.855  -6.204  -7.560
  117   1HD1  ILE  18          1HD1      ILE  18  10.363  -4.776  -5.120
  118   2HD1  ILE  18          2HD1      ILE  18  10.338  -6.455  -5.661
  119   3HD1  ILE  18          3HD1      ILE  18  10.687  -6.076  -3.973
  120    H    SER  19           H        SER  19  15.498  -5.818  -5.004
  121    HA   SER  19           HA       SER  19  16.458  -8.324  -6.057
  122   1HB   SER  19          2HB       SER  19  16.813  -7.050  -3.332
  123    HG   SER  19           HG       SER  19  19.031  -7.202  -4.803
  124    HA   PRO  20           HA       PRO  20  13.504 -11.162  -4.456
  125   1HB   PRO  20          2HB       PRO  20  15.130 -13.027  -3.224
  126   1HG   PRO  20          2HG       PRO  20  17.163 -11.961  -3.493
  127   1HD   PRO  20          2HD       PRO  20  17.418 -10.135  -4.900
  128    H    ALA  21           H        ALA  21  16.042 -10.117  -2.225
  129    HA   ALA  21           HA       ALA  21  14.998 -10.952   0.188
  130   1HB   ALA  21          1HB       ALA  21  16.356  -8.313  -0.354
  131   2HB   ALA  21          2HB       ALA  21  16.194  -9.097   1.217
  132   3HB   ALA  21          3HB       ALA  21  17.173  -9.843  -0.046
  133    H    TYR  22           H        TYR  22  14.192  -8.063  -1.683
  134    HA   TYR  22           HA       TYR  22  12.139  -7.266   0.198
  135   1HB   TYR  22          2HB       TYR  22  12.946  -6.129  -2.486
  136    HD1  TYR  22           1HD      TYR  22  15.335  -6.274  -1.682
  137    HD2  TYR  22           2HD      TYR  22  12.368  -4.004   0.355
  138    HE1  TYR  22           1HE      TYR  22  17.100  -5.013  -0.525
  139    HE2  TYR  22           2HE      TYR  22  14.126  -2.738   1.517
  140    HH   TYR  22           HH       TYR  22  16.456  -2.964   2.132
  141    H    ARG  23           H        ARG  23  12.347  -8.538  -3.100
  142    HA   ARG  23           HA       ARG  23   9.597  -8.514  -3.673
  143   1HB   ARG  23          2HB       ARG  23  11.291  -8.778  -5.409
  144   1HG   ARG  23          2HG       ARG  23  10.402 -10.687  -6.667
  145   1HD   ARG  23          2HD       ARG  23   8.302  -9.087  -5.212
  146    HE   ARG  23           HE       ARG  23   7.767 -11.081  -6.959
  147   1HH1  ARG  23          2HH1      ARG  23   7.498  -7.614  -7.127
  148   2HH1  ARG  23          1HH1      ARG  23   6.145  -7.640  -8.208
  149   1HH2  ARG  23          2HH2      ARG  23   5.982 -11.131  -8.379
  150   2HH2  ARG  23          1HH2      ARG  23   5.281  -9.641  -8.918
  151    H    GLN  24           H        GLN  24  11.623 -11.336  -2.811
  152    HA   GLN  24           HA       GLN  24   9.580 -13.164  -2.459
  153   1HB   GLN  24          2HB       GLN  24  12.177 -12.976  -0.922
  154   1HG   GLN  24          2HG       GLN  24  11.474 -14.488  -3.425
  155   1HE2  GLN  24          1HE2      GLN  24  13.023 -15.894  -4.218
  156   2HE2  GLN  24          2HE2      GLN  24  14.266 -16.561  -3.221
  157    H    LYS  25           H        LYS  25  10.691 -10.651  -0.294
  158    HA   LYS  25           HA       LYS  25   9.634 -11.438   2.120
  159   1HB   LYS  25          2HB       LYS  25  10.978  -9.339   1.551
  160   1HG   LYS  25          2HG       LYS  25   8.608  -9.045   3.386
  161   1HD   LYS  25          2HD       LYS  25   9.580  -6.876   2.891
  162   1HE   LYS  25          2HE       LYS  25  11.775  -7.602   2.112
  163   1HZ   LYS  25          1HZ       LYS  25  13.478  -8.197   3.716
  164   2HZ   LYS  25          2HZ       LYS  25  12.219  -9.326   3.738
  165   3HZ   LYS  25          3HZ       LYS  25  12.342  -8.172   4.970
  166    H    LEU  26           H        LEU  26   7.984  -9.911  -0.606
  167    HA   LEU  26           HA       LEU  26   5.458  -9.841   0.804
  168   1HB   LEU  26          2HB       LEU  26   6.273  -9.112  -2.003
  169    HG   LEU  26           HG       LEU  26   5.604  -6.839  -1.399
  170   1HD1  LEU  26          1HD1      LEU  26   5.108  -6.256   0.917
  171   2HD1  LEU  26          2HD1      LEU  26   3.917  -7.387   0.274
  172   3HD1  LEU  26          3HD1      LEU  26   5.176  -7.960   1.367
  173   1HD2  LEU  26          1HD2      LEU  26   7.940  -7.565  -1.087
  174   2HD2  LEU  26          2HD2      LEU  26   7.462  -6.299   0.045
  175   3HD2  LEU  26          3HD2      LEU  26   7.567  -7.974   0.588
  176    H    LEU  27           H        LEU  27   6.980 -11.723  -1.764
  177    HA   LEU  27           HA       LEU  27   4.841 -13.165  -2.708
  178   1HB   LEU  27          2HB       LEU  27   7.646 -14.161  -2.211
  179    HG   LEU  27           HG       LEU  27   7.720 -12.263  -3.720
  180   1HD1  LEU  27          1HD1      LEU  27   8.647 -13.362  -5.707
  181   2HD1  LEU  27          2HD1      LEU  27   9.195 -14.124  -4.213
  182   3HD1  LEU  27          3HD1      LEU  27   7.936 -14.889  -5.183
  183   1HD2  LEU  27          1HD2      LEU  27   5.408 -12.209  -4.427
  184   2HD2  LEU  27          2HD2      LEU  27   6.461 -12.296  -5.838
  185   3HD2  LEU  27          3HD2      LEU  27   5.606 -13.736  -5.286
  186    H    SER  28           H        SER  28   6.588 -13.557   0.301
  187    HA   SER  28           HA       SER  28   5.608 -16.092   1.023
  188   1HB   SER  28          2HB       SER  28   6.451 -13.794   2.806
  189    HG   SER  28           HG       SER  28   8.082 -15.991   2.380
  190    H    LEU  29           H        LEU  29   4.451 -12.838   1.885
  191    HA   LEU  29           HA       LEU  29   2.162 -13.814   3.286
  192   1HB   LEU  29          2HB       LEU  29   2.785 -11.062   2.210
  193    HG   LEU  29           HG       LEU  29   4.379 -11.782   3.964
  194   1HD1  LEU  29          1HD1      LEU  29   2.403  -9.667   4.811
  195   2HD1  LEU  29          2HD1      LEU  29   4.036  -9.861   5.448
  196   3HD1  LEU  29          3HD1      LEU  29   3.795  -9.435   3.754
  197   1HD2  LEU  29          1HD2      LEU  29   1.897 -12.047   5.656
  198   2HD2  LEU  29          2HD2      LEU  29   2.948 -13.363   5.138
  199   3HD2  LEU  29          3HD2      LEU  29   3.557 -12.135   6.245
  200    H    GLY  30           H        GLY  30   2.869 -13.096  -0.019
  201   1HA   GLY  30          1HA       GLY  30   1.510 -13.904  -1.795
  202   2HA   GLY  30          2HA       GLY  30   0.117 -13.828  -0.725
  203    H    MET  31           H        MET  31   2.213 -11.108  -0.696
  204    HA   MET  31           HA       MET  31   0.135  -9.497  -1.938
  205   1HB   MET  31          2HB       MET  31   2.692  -8.664  -0.556
  206   1HG   MET  31          2HG       MET  31  -0.097  -8.461   0.536
  207   1HE   MET  31          1HE       MET  31   2.021  -5.453   1.977
  208   2HE   MET  31          2HE       MET  31   2.127  -6.111   0.343
  209   3HE   MET  31          3HE       MET  31   0.552  -5.903   1.112
  210    H    LEU  32           H        LEU  32   0.310  -9.842  -4.124
  211    HA   LEU  32           HA       LEU  32   2.907  -9.297  -5.381
  212   1HB   LEU  32          2HB       LEU  32   0.413 -10.625  -6.438
  213    HG   LEU  32           HG       LEU  32   3.188 -11.730  -5.982
  214   1HD1  LEU  32          1HD1      LEU  32   1.924 -13.337  -4.527
  215   2HD1  LEU  32          2HD1      LEU  32   2.008 -11.682  -3.924
  216   3HD1  LEU  32          3HD1      LEU  32   0.529 -12.270  -4.683
  217   1HD2  LEU  32          1HD2      LEU  32   2.291 -13.830  -6.844
  218   2HD2  LEU  32          2HD2      LEU  32   0.762 -13.033  -7.211
  219   3HD2  LEU  32          3HD2      LEU  32   2.230 -12.562  -8.068
  220    HA   PRO  33           HA       PRO  33   2.002  -5.382  -7.149
  221   1HB   PRO  33          2HB       PRO  33   2.090  -6.714  -9.826
  222   1HG   PRO  33          2HG       PRO  33   4.255  -7.510  -9.491
  223   1HD   PRO  33          2HD       PRO  33   3.133  -9.005  -8.158
  224    H    GLY  34           H        GLY  34  -0.031  -4.731  -6.788
  225   1HA   GLY  34          1HA       GLY  34  -2.079  -4.117  -8.003
  226   2HA   GLY  34          2HA       GLY  34  -2.145  -5.782  -8.564
  227    H    SER  35           H        SER  35  -1.223  -5.074  -5.293
  228    HA   SER  35           HA       SER  35  -3.627  -6.440  -4.354
  229   1HB   SER  35          2HB       SER  35  -1.481  -7.253  -3.500
  230    HG   SER  35           HG       SER  35  -2.236  -7.478  -1.537
  231    H    SER  36           H        SER  36  -4.684  -5.603  -2.354
  232    HA   SER  36           HA       SER  36  -4.870  -2.667  -2.476
  233   1HB   SER  36          2HB       SER  36  -6.961  -4.685  -1.624
  234    HG   SER  36           HG       SER  36  -7.716  -4.498  -3.581
  235    H    PHE  37           H        PHE  37  -4.831  -1.464  -0.605
  236    HA   PHE  37           HA       PHE  37  -4.754  -2.754   1.980
  237   1HB   PHE  37          2HB       PHE  37  -2.546  -2.055   2.604
  238    HD1  PHE  37           1HD      PHE  37  -1.703   0.107   2.783
  239    HD2  PHE  37           2HD      PHE  37  -2.250  -1.621  -1.068
  240    HE1  PHE  37           1HE      PHE  37  -0.512   2.005   1.766
  241    HE2  PHE  37           2HE      PHE  37  -1.060   0.273  -2.091
  242    HZ   PHE  37           HZ       PHE  37  -0.189   2.091  -0.673
  243    H    HIS  38           H        HIS  38  -4.583  -1.155   3.758
  244    HA   HIS  38           HA       HIS  38  -5.694   1.443   2.921
  245   1HB   HIS  38          2HB       HIS  38  -7.336   0.127   4.131
  246    HD1  HIS  38           1HD      HIS  38  -6.288   1.497   7.323
  247    HD2  HIS  38           2HD      HIS  38  -8.105   2.956   3.881
  248    HE1  HIS  38           1HE      HIS  38  -7.334   3.681   7.990
  249    HE2  HIS  38           2HE      HIS  38  -8.457   4.533   5.902
  250    H    VAL  39           H        VAL  39  -5.024   3.318   3.990
  251    HA   VAL  39           HA       VAL  39  -2.335   3.167   5.072
  252    HB   VAL  39           HB       VAL  39  -3.989   5.657   4.666
  253   1HG1  VAL  39          1HG1      VAL  39  -2.002   5.947   6.035
  254   2HG1  VAL  39          2HG1      VAL  39  -1.010   5.194   4.787
  255   3HG1  VAL  39          3HG1      VAL  39  -1.796   6.743   4.475
  256   1HG2  VAL  39          1HG2      VAL  39  -2.213   4.234   2.685
  257   2HG2  VAL  39          2HG2      VAL  39  -3.956   4.469   2.563
  258   3HG2  VAL  39          3HG2      VAL  39  -2.872   5.855   2.470
  259    H    VAL  40           H        VAL  40  -2.064   2.822   7.174
  260    HA   VAL  40           HA       VAL  40  -4.135   3.375   9.092
  261    HB   VAL  40           HB       VAL  40  -1.296   2.440   9.534
  262   1HG1  VAL  40          1HG1      VAL  40  -2.226   3.440  11.542
  263   2HG1  VAL  40          2HG1      VAL  40  -3.674   2.444  11.391
  264   3HG1  VAL  40          3HG1      VAL  40  -2.116   1.689  11.727
  265   1HG2  VAL  40          1HG2      VAL  40  -2.629   0.906   8.150
  266   2HG2  VAL  40          2HG2      VAL  40  -2.245   0.213   9.725
  267   3HG2  VAL  40          3HG2      VAL  40  -3.859   0.853   9.412
  268    H    ARG  41           H        ARG  41  -0.799   4.555   8.621
  269    HA   ARG  41           HA       ARG  41  -1.481   7.217   9.335
  270   1HB   ARG  41          2HB       ARG  41  -0.178   7.365  11.425
  271   1HG   ARG  41          2HG       ARG  41  -0.147   4.355  11.348
  272   1HD   ARG  41          2HD       ARG  41   1.100   4.540  13.433
  273    HE   ARG  41           HE       ARG  41  -1.630   5.242  13.286
  274   1HH1  ARG  41          2HH1      ARG  41   1.068   5.231  15.486
  275   2HH1  ARG  41          1HH1      ARG  41   0.080   5.095  16.902
  276   1HH2  ARG  41          2HH2      ARG  41  -2.942   5.062  15.144
  277   2HH2  ARG  41          1HH2      ARG  41  -2.201   4.995  16.708
  278    H    VAL  42           H        VAL  42  -0.156   8.419   8.168
  279    HA   VAL  42           HA       VAL  42   2.674   7.690   7.980
  280    HB   VAL  42           HB       VAL  42   1.667   6.768   5.963
  281   1HG1  VAL  42          1HG1      VAL  42   0.727   9.572   5.374
  282   2HG1  VAL  42          2HG1      VAL  42   0.531   8.158   4.338
  283   3HG1  VAL  42          3HG1      VAL  42  -0.305   8.236   5.889
  284   1HG2  VAL  42          1HG2      VAL  42   3.207   9.288   5.347
  285   2HG2  VAL  42          2HG2      VAL  42   3.920   7.751   5.840
  286   3HG2  VAL  42          3HG2      VAL  42   3.055   7.872   4.308
  287    H    ALA  43           H        ALA  43   4.047   9.467   7.270
  288    HA   ALA  43           HA       ALA  43   2.845  12.082   7.899
  289   1HB   ALA  43          1HB       ALA  43   5.041  12.775   8.709
  290   2HB   ALA  43          2HB       ALA  43   4.466  11.343   9.567
  291   3HB   ALA  43          3HB       ALA  43   5.693  11.185   8.309
  292    HA   PRO  44           HA       PRO  44   3.791  13.436   3.785
  293   1HB   PRO  44          2HB       PRO  44   4.236  16.103   4.981
  294   1HG   PRO  44          2HG       PRO  44   2.290  16.184   6.231
  295   1HD   PRO  44          2HD       PRO  44   3.515  14.691   7.504
  296    H    LEU  45           H        LEU  45   5.891  14.169   6.491
  297    HA   LEU  45           HA       LEU  45   8.087  15.043   4.837
  298   1HB   LEU  45          2HB       LEU  45   7.897  14.385   7.775
  299    HG   LEU  45           HG       LEU  45   8.345  16.799   8.107
  300   1HD1  LEU  45          1HD1      LEU  45   8.046  18.347   6.255
  301   2HD1  LEU  45          2HD1      LEU  45   9.397  17.256   5.952
  302   3HD1  LEU  45          3HD1      LEU  45   7.853  16.994   5.140
  303   1HD2  LEU  45          1HD2      LEU  45   6.050  15.852   8.166
  304   2HD2  LEU  45          2HD2      LEU  45   6.105  17.549   7.688
  305   3HD2  LEU  45          3HD2      LEU  45   5.865  16.298   6.470
  306    H    GLY  46           H        GLY  46   7.811  12.351   7.166
  307   1HA   GLY  46          1HA       GLY  46   8.467  10.265   5.491
  308   2HA   GLY  46          2HA       GLY  46  10.005  10.944   6.000
  309    H    ASP  47           H        ASP  47   7.345   8.974   6.860
  310    HA   ASP  47           HA       ASP  47   8.694   8.241   9.339
  311   1HB   ASP  47          2HB       ASP  47   5.849   9.220   9.152
  312    HA   PRO  48           HA       PRO  48   7.279   4.195   8.274
  313   1HB   PRO  48          2HB       PRO  48   6.815   3.271  10.928
  314   1HG   PRO  48          2HG       PRO  48   8.008   4.658  12.276
  315   1HD   PRO  48          2HD       PRO  48   6.790   6.424  11.425
  316    H    VAL  49           H        VAL  49   5.368   3.907   7.329
  317    HA   VAL  49           HA       VAL  49   2.919   4.263   8.916
  318    HB   VAL  49           HB       VAL  49   2.900   5.685   7.005
  319   1HG1  VAL  49          1HG1      VAL  49   3.644   3.247   5.399
  320   2HG1  VAL  49          2HG1      VAL  49   3.176   4.800   4.706
  321   3HG1  VAL  49          3HG1      VAL  49   4.633   4.679   5.692
  322   1HG2  VAL  49          1HG2      VAL  49   1.218   3.254   6.388
  323   2HG2  VAL  49          2HG2      VAL  49   0.773   4.576   7.467
  324   3HG2  VAL  49          3HG2      VAL  49   0.968   4.875   5.739
  325    H    HIS  50           H        HIS  50   1.432   2.652   9.103
  326    HA   HIS  50           HA       HIS  50   2.302  -0.012   8.247
  327   1HB   HIS  50          2HB       HIS  50   0.161   0.746  10.248
  328    HD1  HIS  50           1HD      HIS  50   2.795  -1.589  11.249
  329    HD2  HIS  50           2HD      HIS  50   2.091   2.499  11.513
  330    HE1  HIS  50           1HE      HIS  50   4.399  -0.741  12.992
  331    HE2  HIS  50           2HE      HIS  50   3.972   1.740  13.119
  332    H    ILE  51           H        ILE  51   1.107  -1.279   6.912
  333    HA   ILE  51           HA       ILE  51  -1.288  -0.043   5.727
  334    HB   ILE  51           HB       ILE  51  -0.876  -1.461   3.766
  335   1HG1  ILE  51          2HG1      ILE  51   1.627  -2.295   5.250
  336   1HG2  ILE  51          1HG2      ILE  51   1.482   0.206   4.632
  337   2HG2  ILE  51          2HG2      ILE  51   1.175  -0.328   2.979
  338   3HG2  ILE  51          3HG2      ILE  51   0.047   0.769   3.776
  339   1HD1  ILE  51          1HD1      ILE  51   2.070  -3.765   3.374
  340   2HD1  ILE  51          2HD1      ILE  51   0.682  -3.100   2.513
  341   3HD1  ILE  51          3HD1      ILE  51   2.073  -2.075   2.869
  342    H    GLU  52           H        GLU  52  -3.187  -1.164   5.577
  343    HA   GLU  52           HA       GLU  52  -3.291  -3.716   7.037
  344   1HB   GLU  52          2HB       GLU  52  -4.634  -1.936   8.032
  345   1HG   GLU  52          2HG       GLU  52  -6.428  -3.920   6.651
  346    H    THR  53           H        THR  53  -3.258  -5.395   5.690
  347    HA   THR  53           HA       THR  53  -4.724  -5.199   3.149
  348    HB   THR  53           HB       THR  53  -3.357  -7.030   2.329
  349    HG1  THR  53           1HG      THR  53  -1.908  -6.959   4.772
  350   1HG2  THR  53          1HG2      THR  53  -1.674  -4.911   3.670
  351   2HG2  THR  53          2HG2      THR  53  -2.462  -4.766   2.098
  352   3HG2  THR  53          3HG2      THR  53  -1.164  -5.937   2.328
  353    H    ARG  54           H        ARG  54  -5.146  -7.757   2.485
  354    HA   ARG  54           HA       ARG  54  -7.469  -8.472   3.773
  355   1HB   ARG  54          2HB       ARG  54  -5.565 -10.359   2.379
  356   1HG   ARG  54          2HG       ARG  54  -6.082  -8.503   0.906
  357   1HD   ARG  54          2HD       ARG  54  -8.964  -9.209   1.441
  358    HE   ARG  54           HE       ARG  54  -8.004  -8.131  -0.871
  359   1HH1  ARG  54          2HH1      ARG  54 -10.031  -6.982   1.718
  360   2HH1  ARG  54          1HH1      ARG  54 -10.940  -5.911   0.705
  361   1HH2  ARG  54          2HH2      ARG  54  -9.197  -6.725  -2.215
  362   2HH2  ARG  54          1HH2      ARG  54 -10.467  -5.765  -1.533
  363    H    ARG  55           H        ARG  55  -7.420  -8.558   5.977
  364    HA   ARG  55           HA       ARG  55  -7.052  -9.356   8.064
  365   1HB   ARG  55          2HB       ARG  55  -6.617 -11.891   6.482
  366   1HG   ARG  55          2HG       ARG  55  -9.053 -10.973   7.996
  367   1HD   ARG  55          2HD       ARG  55  -8.755 -13.407   7.869
  368    HE   ARG  55           HE       ARG  55  -7.812 -13.033   5.316
  369   1HH1  ARG  55          2HH1      ARG  55 -10.288 -14.956   6.831
  370   2HH1  ARG  55          1HH1      ARG  55 -10.184 -16.238   5.671
  371   1HH2  ARG  55          2HH2      ARG  55  -7.666 -14.717   3.782
  372   2HH2  ARG  55          1HH2      ARG  55  -8.695 -16.102   3.939
  373    H    VAL  56           H        VAL  56  -4.702  -8.326   6.542
  374    HA   VAL  56           HA       VAL  56  -2.678  -9.346   8.375
  375    HB   VAL  56           HB       VAL  56  -2.215  -9.260   5.388
  376   1HG1  VAL  56          1HG1      VAL  56  -0.249  -8.559   6.660
  377   2HG1  VAL  56          2HG1      VAL  56  -0.348 -10.028   7.631
  378   3HG1  VAL  56          3HG1      VAL  56   0.008 -10.133   5.907
  379   1HG2  VAL  56          1HG2      VAL  56  -1.889 -11.688   5.596
  380   2HG2  VAL  56          2HG2      VAL  56  -2.345 -11.594   7.296
  381   3HG2  VAL  56          3HG2      VAL  56  -3.523 -11.200   6.045
  382    H    SER  57           H        SER  57  -1.749  -7.659   9.305
  383    HA   SER  57           HA       SER  57  -1.742  -5.090   7.885
  384   1HB   SER  57          2HB       SER  57  -2.888  -5.073  10.050
  385    HG   SER  57           HG       SER  57  -1.383  -3.295   9.330
  386    H    LEU  58           H        LEU  58   0.095  -4.786   6.810
  387    HA   LEU  58           HA       LEU  58   2.624  -5.651   8.028
  388   1HB   LEU  58          2HB       LEU  58   2.135  -6.473   5.758
  389    HG   LEU  58           HG       LEU  58   4.414  -4.490   5.781
  390   1HD1  LEU  58          1HD1      LEU  58   4.584  -6.180   7.527
  391   2HD1  LEU  58          2HD1      LEU  58   4.347  -7.453   6.331
  392   3HD1  LEU  58          3HD1      LEU  58   5.791  -6.445   6.271
  393   1HD2  LEU  58          1HD2      LEU  58   3.868  -6.797   3.915
  394   2HD2  LEU  58          2HD2      LEU  58   3.757  -5.085   3.504
  395   3HD2  LEU  58          3HD2      LEU  58   5.317  -5.792   3.927
  396    H    VAL  59           H        VAL  59   4.491  -4.202   7.810
  397    HA   VAL  59           HA       VAL  59   3.680  -1.371   7.950
  398    HB   VAL  59           HB       VAL  59   4.394  -2.221  10.134
  399   1HG1  VAL  59          1HG1      VAL  59   6.720  -2.908  10.497
  400   2HG1  VAL  59          2HG1      VAL  59   5.877  -3.997   9.394
  401   3HG1  VAL  59          3HG1      VAL  59   7.015  -2.806   8.762
  402   1HG2  VAL  59          1HG2      VAL  59   6.391  -0.327   8.899
  403   2HG2  VAL  59          2HG2      VAL  59   4.820   0.116   9.564
  404   3HG2  VAL  59          3HG2      VAL  59   6.078  -0.519  10.624
  405    H    LEU  60           H        LEU  60   4.821   0.115   6.806
  406    HA   LEU  60           HA       LEU  60   7.238  -0.768   5.396
  407   1HB   LEU  60          2HB       LEU  60   4.893   0.642   4.120
  408    HG   LEU  60           HG       LEU  60   4.526  -1.792   4.286
  409   1HD1  LEU  60          1HD1      LEU  60   4.134  -2.195   1.911
  410   2HD1  LEU  60          2HD1      LEU  60   3.657  -0.561   2.370
  411   3HD1  LEU  60          3HD1      LEU  60   5.169  -0.826   1.505
  412   1HD2  LEU  60          1HD2      LEU  60   6.860  -2.501   4.384
  413   2HD2  LEU  60          2HD2      LEU  60   5.998  -3.325   3.084
  414   3HD2  LEU  60          3HD2      LEU  60   7.090  -1.993   2.710
  415    H    ARG  61           H        ARG  61   8.603   0.961   4.663
  416    HA   ARG  61           HA       ARG  61   8.117   3.504   6.068
  417   1HB   ARG  61          2HB       ARG  61  10.745   2.062   5.682
  418   1HG   ARG  61          2HG       ARG  61   9.295   2.781   8.221
  419   1HD   ARG  61          2HD       ARG  61  11.015   1.432   9.304
  420    HE   ARG  61           HE       ARG  61  11.607   3.918   8.125
  421   1HH1  ARG  61          2HH1      ARG  61  13.177   1.187   9.606
  422   2HH1  ARG  61          1HH1      ARG  61  14.520   2.111  10.192
  423   1HH2  ARG  61          2HH2      ARG  61  13.373   5.147   8.890
  424   2HH2  ARG  61          1HH2      ARG  61  14.632   4.362   9.785
  425    H    LYS  62           H        LYS  62   9.070   5.395   5.115
  426    HA   LYS  62           HA       LYS  62   8.491   5.847   2.498
  427   1HB   LYS  62          2HB       LYS  62  10.751   7.158   4.019
  428   1HG   LYS  62          2HG       LYS  62   8.283   7.154   4.972
  429   1HD   LYS  62          2HD       LYS  62   7.062   9.133   4.256
  430   1HE   LYS  62          2HE       LYS  62   7.675   7.464   1.830
  431   1HZ   LYS  62          1HZ       LYS  62   5.202   8.821   2.749
  432   2HZ   LYS  62          2HZ       LYS  62   5.315   7.823   1.390
  433   3HZ   LYS  62          3HZ       LYS  62   6.167   9.284   1.437
  434    H    LYS  63           H        LYS  63  11.364   4.341   3.758
  435    HA   LYS  63           HA       LYS  63  12.879   4.563   1.335
  436   1HB   LYS  63          2HB       LYS  63  14.477   3.084   2.420
  437   1HG   LYS  63          2HG       LYS  63  12.497   2.814   4.670
  438   1HD   LYS  63          2HD       LYS  63  15.225   1.604   4.231
  439   1HE   LYS  63          2HE       LYS  63  13.310   1.346   6.542
  440   1HZ   LYS  63          1HZ       LYS  63  14.951  -0.199   7.409
  441   2HZ   LYS  63          2HZ       LYS  63  15.615   1.349   7.250
  442   3HZ   LYS  63          3HZ       LYS  63  15.993   0.147   6.121
  443    H    ASP  64           H        ASP  64  10.777   2.153   2.792
  444    HA   ASP  64           HA       ASP  64  11.384   0.107   0.887
  445   1HB   ASP  64          2HB       ASP  64   9.009   0.371   2.744
  446    H    LEU  65           H        LEU  65   8.984   2.649   1.160
  447    HA   LEU  65           HA       LEU  65   7.361   1.710  -1.003
  448   1HB   LEU  65          2HB       LEU  65   7.517   4.358   0.429
  449    HG   LEU  65           HG       LEU  65   5.473   2.141   0.507
  450   1HD1  LEU  65          1HD1      LEU  65   5.884   2.240   2.920
  451   2HD1  LEU  65          2HD1      LEU  65   7.352   1.854   2.021
  452   3HD1  LEU  65          3HD1      LEU  65   7.108   3.482   2.655
  453   1HD2  LEU  65          1HD2      LEU  65   5.265   4.937   1.616
  454   2HD2  LEU  65          2HD2      LEU  65   4.318   4.272   0.287
  455   3HD2  LEU  65          3HD2      LEU  65   4.128   3.623   1.916
  456    H    ALA  66           H        ALA  66  10.192   3.691  -0.716
  457    HA   ALA  66           HA       ALA  66  10.044   5.153  -3.093
  458   1HB   ALA  66          1HB       ALA  66  12.448   5.422  -2.900
  459   2HB   ALA  66          2HB       ALA  66  11.687   5.582  -1.317
  460   3HB   ALA  66          3HB       ALA  66  12.524   4.089  -1.745
  461    H    LEU  67           H        LEU  67  10.729   1.806  -2.532
  462    HA   LEU  67           HA       LEU  67  11.796   1.423  -5.219
  463   1HB   LEU  67          2HB       LEU  67  11.378  -0.490  -2.924
  464    HG   LEU  67           HG       LEU  67  13.308   1.023  -2.606
  465   1HD1  LEU  67          1HD1      LEU  67  14.016  -1.834  -3.254
  466   2HD1  LEU  67          2HD1      LEU  67  15.002  -0.729  -2.299
  467   3HD1  LEU  67          3HD1      LEU  67  13.415  -1.225  -1.713
  468   1HD2  LEU  67          1HD2      LEU  67  15.212   0.878  -4.136
  469   2HD2  LEU  67          2HD2      LEU  67  14.276  -0.167  -5.203
  470   3HD2  LEU  67          3HD2      LEU  67  13.779   1.505  -4.949
  471    H    ILE  68           H        ILE  68   9.195  -0.032  -3.253
  472    HA   ILE  68           HA       ILE  68   7.915  -1.261  -5.463
  473    HB   ILE  68           HB       ILE  68   6.006  -1.594  -3.929
  474   1HG1  ILE  68          2HG1      ILE  68   7.684   0.037  -2.008
  475   1HG2  ILE  68          1HG2      ILE  68   7.178  -3.007  -2.320
  476   2HG2  ILE  68          2HG2      ILE  68   7.875  -3.162  -3.932
  477   3HG2  ILE  68          3HG2      ILE  68   8.696  -2.196  -2.705
  478   1HD1  ILE  68          1HD1      ILE  68   5.885  -0.223  -0.418
  479   2HD1  ILE  68          2HD1      ILE  68   5.018  -1.272  -1.539
  480   3HD1  ILE  68          3HD1      ILE  68   6.555  -1.796  -0.851
  481    H    GLU  69           H        GLU  69   5.854  -0.731  -6.393
  482    HA   GLU  69           HA       GLU  69   5.433   2.171  -6.543
  483   1HB   GLU  69          2HB       GLU  69   5.931   0.820  -8.631
  484   1HG   GLU  69          2HG       GLU  69   4.290   1.904 -10.042
  485    H    LEU  70           H        LEU  70   3.269   3.005  -6.620
  486    HA   LEU  70           HA       LEU  70   1.260   1.268  -5.352
  487   1HB   LEU  70          2HB       LEU  70   1.845   4.152  -4.672
  488    HG   LEU  70           HG       LEU  70   3.426   2.582  -3.584
  489   1HD1  LEU  70          1HD1      LEU  70   2.802   4.639  -2.459
  490   2HD1  LEU  70          2HD1      LEU  70   1.394   3.847  -1.752
  491   3HD1  LEU  70          3HD1      LEU  70   3.018   3.340  -1.289
  492   1HD2  LEU  70          1HD2      LEU  70   2.593   0.997  -1.929
  493   2HD2  LEU  70          2HD2      LEU  70   0.933   1.408  -2.361
  494   3HD2  LEU  70          3HD2      LEU  70   1.979   0.612  -3.537
  495    H    GLU  71           H        GLU  71  -0.983   2.176  -5.562
  496    HA   GLU  71           HA       GLU  71  -1.397   3.957  -7.822
  497   1HB   GLU  71          2HB       GLU  71  -1.203   1.779  -8.901
  498   1HG   GLU  71          2HG       GLU  71  -3.350   1.580 -10.001
  499    H    ALA  72           H        ALA  72  -3.478   4.856  -7.912
  500    HA   ALA  72           HA       ALA  72  -4.784   5.127  -5.411
  501   1HB   ALA  72          1HB       ALA  72  -4.740   6.923  -7.072
  502   2HB   ALA  72          2HB       ALA  72  -5.735   5.951  -8.155
  503   3HB   ALA  72          3HB       ALA  72  -6.393   6.510  -6.618
  504    H    VAL  73           H        VAL  73  -7.425   5.062  -5.721
  505    HA   VAL  73           HA       VAL  73  -8.094   2.345  -6.637
  506    HB   VAL  73           HB       VAL  73  -9.555   2.048  -4.672
  507   1HG1  VAL  73          1HG1      VAL  73  -7.780   1.629  -3.036
  508   2HG1  VAL  73          2HG1      VAL  73  -7.314   1.102  -4.654
  509   3HG1  VAL  73          3HG1      VAL  73  -6.669   2.606  -3.996
  510   1HG2  VAL  73          1HG2      VAL  73  -8.269   4.596  -3.694
  511   2HG2  VAL  73          2HG2      VAL  73  -9.962   4.385  -4.138
  512   3HG2  VAL  73          3HG2      VAL  73  -9.307   3.540  -2.737
  513    H    ALA  74           H        ALA  74 -10.681   2.158  -6.289
  514    HA   ALA  74           HA       ALA  74 -11.817   3.772  -8.270
  515   1HB   ALA  74          1HB       ALA  74 -13.948   2.783  -7.626
  516   2HB   ALA  74          2HB       ALA  74 -12.680   1.560  -7.680
  517   3HB   ALA  74          3HB       ALA  74 -13.233   2.189  -6.129
  518    H    GLN  75           H        GLN  75 -12.922   5.646  -8.256
  519    HA   GLN  75           HA       GLN  75 -12.841   7.244  -5.847
  520   1HB   GLN  75          2HB       GLN  75 -12.237   8.276  -7.969
  521   1HG   GLN  75          2HG       GLN  75 -14.906   9.383  -7.166
  522   1HE2  GLN  75          1HE2      GLN  75 -13.505  11.895  -6.673
  523   2HE2  GLN  75          2HE2      GLN  75 -13.187  12.576  -8.229
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -4.909  11.826  -2.384
    2   2H    MET   1          2H        MET   1  -5.263  13.046  -3.500
    3   3H    MET   1          3H        MET   1  -4.367  13.407  -2.111
    4    HA   MET   1           HA       MET   1  -3.492  11.595  -4.284
    5   1HB   MET   1          2HB       MET   1  -2.654  14.423  -3.615
    6   1HG   MET   1          2HG       MET   1  -3.923  13.301  -6.102
    7   1HE   MET   1          1HE       MET   1  -1.805  14.041  -7.552
    8   2HE   MET   1          2HE       MET   1  -1.126  15.668  -7.532
    9   3HE   MET   1          3HE       MET   1  -0.959  14.625  -6.120
   10    H    GLN   2           H        GLN   2  -2.320  13.607  -1.581
   11    HA   GLN   2           HA       GLN   2   0.037  12.085  -1.193
   12   1HB   GLN   2          2HB       GLN   2  -1.375  13.947   0.725
   13   1HG   GLN   2          2HG       GLN   2   0.964  14.547  -1.050
   14   1HE2  GLN   2          1HE2      GLN   2   1.623  16.693  -1.008
   15   2HE2  GLN   2          2HE2      GLN   2   1.208  17.754   0.290
   16    H    PHE   3           H        PHE   3   0.535  10.487   0.261
   17    HA   PHE   3           HA       PHE   3  -1.537   8.721   1.022
   18   1HB   PHE   3          2HB       PHE   3   1.335   8.784   1.974
   19    HD1  PHE   3           1HD      PHE   3  -0.226   6.005   0.242
   20    HD2  PHE   3           2HD      PHE   3   2.215   9.463  -0.210
   21    HE1  PHE   3           1HE      PHE   3   0.504   5.198  -1.965
   22    HE2  PHE   3           2HE      PHE   3   2.948   8.661  -2.418
   23    HZ   PHE   3           HZ       PHE   3   2.091   6.520  -3.298
   24    H    THR   4           H        THR   4  -2.982   9.271   2.526
   25    HA   THR   4           HA       THR   4  -1.981  10.425   5.045
   26    HB   THR   4           HB       THR   4  -4.502  11.108   5.275
   27    HG1  THR   4           1HG      THR   4  -5.520  10.445   3.512
   28   1HG2  THR   4          1HG2      THR   4  -2.637  12.678   5.166
   29   2HG2  THR   4          2HG2      THR   4  -4.005  13.261   4.217
   30   3HG2  THR   4          3HG2      THR   4  -2.612  12.540   3.409
   31    HA   PRO   5           HA       PRO   5  -3.289   7.041   7.515
   32   1HB   PRO   5          2HB       PRO   5  -5.015   8.990   8.978
   33   1HG   PRO   5          2HG       PRO   5  -3.234  10.409   9.481
   34   1HD   PRO   5          2HD       PRO   5  -3.575  10.955   7.267
   35    H    ASP   6           H        ASP   6  -4.867   5.528   7.464
   36    HA   ASP   6           HA       ASP   6  -6.838   4.487   7.007
   37   1HB   ASP   6          2HB       ASP   6  -8.022   7.261   7.253
   38    H    SER   7           H        SER   7  -5.148   5.886   4.893
   39    HA   SER   7           HA       SER   7  -7.106   6.430   2.816
   40   1HB   SER   7          2HB       SER   7  -5.134   6.936   1.409
   41    HG   SER   7           HG       SER   7  -3.232   7.001   3.225
   42    H    ALA   8           H        ALA   8  -6.978   5.350   0.719
   43    HA   ALA   8           HA       ALA   8  -6.199   2.520   1.001
   44   1HB   ALA   8          1HB       ALA   8  -8.474   3.653  -0.626
   45   2HB   ALA   8          2HB       ALA   8  -8.035   1.950  -0.496
   46   3HB   ALA   8          3HB       ALA   8  -8.628   2.819   0.920
   47    H    TRP   9           H        TRP   9  -4.944   1.626  -0.538
   48    HA   TRP   9           HA       TRP   9  -4.605   2.910  -3.116
   49   1HB   TRP   9          2HB       TRP   9  -2.187   2.441  -1.365
   50    HD1  TRP   9           HD       TRP   9  -2.235   4.019   0.647
   51    HE1  TRP   9           1HE      TRP   9  -2.768   6.510   1.016
   52    HE3  TRP   9           3HE      TRP   9  -3.912   5.198  -4.041
   53    HZ2  TRP   9           2HZ      TRP   9  -3.769   8.683  -0.476
   54    HZ3  TRP   9           3HZ      TRP   9  -4.638   7.506  -4.484
   55    HH2  TRP   9           HH       TRP   9  -4.569   9.211  -2.738
   56    H    LYS  10           H        LYS  10  -3.415   1.575  -4.634
   57    HA   LYS  10           HA       LYS  10  -3.664  -1.262  -3.957
   58   1HB   LYS  10          2HB       LYS  10  -3.479   0.152  -6.620
   59   1HG   LYS  10          2HG       LYS  10  -5.714  -1.434  -5.369
   60   1HD   LYS  10          2HD       LYS  10  -5.656   0.057  -7.988
   61   1HE   LYS  10          2HE       LYS  10  -7.798  -1.038  -8.374
   62   1HZ   LYS  10          1HZ       LYS  10  -9.114   0.127  -6.695
   63   2HZ   LYS  10          2HZ       LYS  10  -7.882   1.111  -7.311
   64   3HZ   LYS  10          3HZ       LYS  10  -7.717   0.408  -5.782
   65    H    ILE  11           H        ILE  11  -1.968  -2.633  -3.938
   66    HA   ILE  11           HA       ILE  11   0.674  -1.511  -3.873
   67    HB   ILE  11           HB       ILE  11  -0.162  -4.407  -3.693
   68   1HG1  ILE  11          2HG1      ILE  11   0.371  -2.387  -1.504
   69   1HG2  ILE  11          1HG2      ILE  11   2.189  -4.116  -4.266
   70   2HG2  ILE  11          2HG2      ILE  11   2.401  -3.042  -2.884
   71   3HG2  ILE  11          3HG2      ILE  11   2.009  -4.742  -2.628
   72   1HD1  ILE  11          1HD1      ILE  11  -0.302  -4.091   0.061
   73   2HD1  ILE  11          2HD1      ILE  11  -0.518  -5.250  -1.253
   74   3HD1  ILE  11          3HD1      ILE  11   1.093  -4.643  -0.866
   75    H    THR  12           H        THR  12   2.201  -1.547  -5.394
   76    HA   THR  12           HA       THR  12   1.908  -3.329  -7.700
   77    HB   THR  12           HB       THR  12   2.586  -0.406  -8.055
   78    HG1  THR  12           1HG      THR  12   0.101  -1.736  -8.049
   79   1HG2  THR  12          1HG2      THR  12   2.135  -0.864 -10.411
   80   2HG2  THR  12          2HG2      THR  12   1.750  -2.541 -10.024
   81   3HG2  THR  12          3HG2      THR  12   3.392  -1.940  -9.803
   82    H    GLY  13           H        GLY  13   3.618  -3.739  -5.603
   83   1HA   GLY  13          1HA       GLY  13   6.142  -2.622  -5.666
   84   2HA   GLY  13          2HA       GLY  13   5.813  -4.285  -5.211
   85    H    PHE  14           H        PHE  14   6.782  -2.145  -7.787
   86    HA   PHE  14           HA       PHE  14   8.058  -4.387  -9.135
   87   1HB   PHE  14          2HB       PHE  14   5.897  -4.283 -10.243
   88    HD1  PHE  14           1HD      PHE  14   7.635  -5.836 -11.329
   89    HD2  PHE  14           2HD      PHE  14   7.035  -1.783 -12.483
   90    HE1  PHE  14           1HE      PHE  14   8.695  -6.301 -13.500
   91    HE2  PHE  14           2HE      PHE  14   8.093  -2.242 -14.656
   92    HZ   PHE  14           HZ       PHE  14   8.925  -4.503 -15.167
   93    H    SER  15           H        SER  15  10.058  -3.539  -8.674
   94    HA   SER  15           HA       SER  15  10.637  -0.814  -9.590
   95   1HB   SER  15          2HB       SER  15  12.389  -2.661  -7.953
   96    HG   SER  15           HG       SER  15  11.402  -1.937  -6.237
   97    H    ARG  16           H        ARG  16  12.707  -0.454 -10.713
   98    HA   ARG  16           HA       ARG  16  12.892  -1.969 -13.048
   99   1HB   ARG  16          2HB       ARG  16  14.746  -0.619 -13.643
  100   1HG   ARG  16          2HG       ARG  16  16.147  -0.954 -11.651
  101   1HD   ARG  16          2HD       ARG  16  14.291   1.073 -10.411
  102    HE   ARG  16           HE       ARG  16  17.004   0.594  -9.808
  103   1HH1  ARG  16          2HH1      ARG  16  13.904   0.977  -8.264
  104   2HH1  ARG  16          1HH1      ARG  16  14.572   1.597  -6.791
  105   1HH2  ARG  16          2HH2      ARG  16  17.891   1.409  -7.874
  106   2HH2  ARG  16          1HH2      ARG  16  16.838   1.845  -6.570
  107    H    ASP  17           H        ASP  17  14.239  -2.565  -9.945
  108    HA   ASP  17           HA       ASP  17  15.333  -5.054 -10.813
  109   1HB   ASP  17          2HB       ASP  17  17.140  -3.519 -11.516
  110    H    ILE  18           H        ILE  18  13.398  -4.380  -8.926
  111    HA   ILE  18           HA       ILE  18  14.097  -4.060  -6.308
  112    HB   ILE  18           HB       ILE  18  11.777  -4.243  -7.007
  113   1HG1  ILE  18          2HG1      ILE  18  12.514  -6.384  -5.000
  114   1HG2  ILE  18          1HG2      ILE  18  10.764  -6.406  -7.528
  115   2HG2  ILE  18          2HG2      ILE  18  12.033  -5.995  -8.680
  116   3HG2  ILE  18          3HG2      ILE  18  12.345  -7.177  -7.409
  117   1HD1  ILE  18          1HD1      ILE  18  10.168  -6.549  -5.588
  118   2HD1  ILE  18          2HD1      ILE  18  10.363  -5.901  -3.958
  119   3HD1  ILE  18          3HD1      ILE  18   9.961  -4.821  -5.294
  120    H    SER  19           H        SER  19  14.920  -5.286  -4.673
  121    HA   SER  19           HA       SER  19  16.330  -7.710  -5.442
  122   1HB   SER  19          2HB       SER  19  17.384  -7.521  -3.208
  123    HG   SER  19           HG       SER  19  16.489  -5.043  -2.632
  124    HA   PRO  20           HA       PRO  20  13.586 -10.690  -3.726
  125   1HB   PRO  20          2HB       PRO  20  15.312 -12.302  -2.311
  126   1HG   PRO  20          2HG       PRO  20  17.229 -11.016  -2.500
  127   1HD   PRO  20          2HD       PRO  20  17.405  -9.280  -4.025
  128    H    ALA  21           H        ALA  21  15.865  -9.156  -1.514
  129    HA   ALA  21           HA       ALA  21  14.894  -9.943   0.936
  130   1HB   ALA  21          1HB       ALA  21  16.857  -8.508   0.659
  131   2HB   ALA  21          2HB       ALA  21  15.812  -7.169   0.185
  132   3HB   ALA  21          3HB       ALA  21  15.719  -7.822   1.820
  133    H    TYR  22           H        TYR  22  13.701  -7.312  -1.119
  134    HA   TYR  22           HA       TYR  22  11.464  -6.813   0.659
  135   1HB   TYR  22          2HB       TYR  22  12.152  -5.594  -2.024
  136    HD1  TYR  22           1HD      TYR  22  14.503  -5.227  -1.462
  137    HD2  TYR  22           2HD      TYR  22  11.388  -3.766   1.038
  138    HE1  TYR  22           1HE      TYR  22  16.115  -3.760  -0.325
  139    HE2  TYR  22           2HE      TYR  22  12.991  -2.292   2.183
  140    HH   TYR  22           HH       TYR  22  15.453  -2.212   2.588
  141    H    ARG  23           H        ARG  23  12.027  -8.087  -2.591
  142    HA   ARG  23           HA       ARG  23   9.343  -8.482  -3.313
  143   1HB   ARG  23          2HB       ARG  23  11.275  -8.527  -4.880
  144   1HG   ARG  23          2HG       ARG  23  10.575 -10.423  -6.273
  145   1HD   ARG  23          2HD       ARG  23   8.290  -8.949  -4.970
  146    HE   ARG  23           HE       ARG  23   8.048 -10.890  -6.871
  147   1HH1  ARG  23          2HH1      ARG  23   7.488  -7.456  -6.775
  148   2HH1  ARG  23          1HH1      ARG  23   6.213  -7.498  -7.945
  149   1HH2  ARG  23          2HH2      ARG  23   6.364 -10.960  -8.412
  150   2HH2  ARG  23          1HH2      ARG  23   5.570  -9.492  -8.872
  151    H    GLN  24           H        GLN  24  11.708 -10.906  -2.180
  152    HA   GLN  24           HA       GLN  24  10.106 -13.105  -1.996
  153   1HB   GLN  24          2HB       GLN  24  12.528 -13.081  -1.519
  154   1HG   GLN  24          2HG       GLN  24  10.898 -14.259   0.721
  155   1HE2  GLN  24          1HE2      GLN  24  12.377 -16.733   0.204
  156   2HE2  GLN  24          2HE2      GLN  24  13.911 -16.535   0.970
  157    H    LYS  25           H        LYS  25  10.495 -10.614   0.518
  158    HA   LYS  25           HA       LYS  25   8.919 -11.705   2.496
  159   1HB   LYS  25          2HB       LYS  25   9.335  -8.829   1.696
  160   1HG   LYS  25          2HG       LYS  25  10.374 -10.397   4.049
  161   1HD   LYS  25          2HD       LYS  25  11.075  -7.630   3.071
  162   1HE   LYS  25          2HE       LYS  25  12.318  -7.471   5.169
  163   1HZ   LYS  25          1HZ       LYS  25  13.511  -8.255   3.219
  164   2HZ   LYS  25          2HZ       LYS  25  13.109  -9.856   3.586
  165   3HZ   LYS  25          3HZ       LYS  25  14.118  -8.979   4.622
  166    H    LEU  26           H        LEU  26   7.870  -9.645  -0.205
  167    HA   LEU  26           HA       LEU  26   5.150  -9.564   0.480
  168   1HB   LEU  26          2HB       LEU  26   6.405  -9.406  -2.261
  169    HG   LEU  26           HG       LEU  26   7.327  -7.638  -0.882
  170   1HD1  LEU  26          1HD1      LEU  26   5.147  -6.641  -2.709
  171   2HD1  LEU  26          2HD1      LEU  26   6.521  -5.694  -2.140
  172   3HD1  LEU  26          3HD1      LEU  26   6.785  -7.090  -3.184
  173   1HD2  LEU  26          1HD2      LEU  26   5.849  -5.981   0.188
  174   2HD2  LEU  26          2HD2      LEU  26   4.457  -6.980  -0.229
  175   3HD2  LEU  26          3HD2      LEU  26   5.678  -7.592   0.888
  176    H    LEU  27           H        LEU  27   6.766 -11.578  -1.979
  177    HA   LEU  27           HA       LEU  27   4.653 -13.118  -2.780
  178   1HB   LEU  27          2HB       LEU  27   7.498 -14.034  -2.362
  179    HG   LEU  27           HG       LEU  27   7.360 -12.089  -3.890
  180   1HD1  LEU  27          1HD1      LEU  27   9.070 -13.800  -4.211
  181   2HD1  LEU  27          2HD1      LEU  27   7.971 -14.713  -5.243
  182   3HD1  LEU  27          3HD1      LEU  27   8.545 -13.124  -5.753
  183   1HD2  LEU  27          1HD2      LEU  27   5.594 -13.894  -5.540
  184   2HD2  LEU  27          2HD2      LEU  27   5.065 -12.450  -4.676
  185   3HD2  LEU  27          3HD2      LEU  27   6.200 -12.309  -6.018
  186    H    SER  28           H        SER  28   6.347 -13.243   0.243
  187    HA   SER  28           HA       SER  28   5.607 -15.854   1.036
  188   1HB   SER  28          2HB       SER  28   7.412 -14.601   2.140
  189    HG   SER  28           HG       SER  28   5.843 -14.772   4.323
  190    H    LEU  29           H        LEU  29   4.024 -12.719   1.334
  191    HA   LEU  29           HA       LEU  29   1.896 -13.754   2.978
  192   1HB   LEU  29          2HB       LEU  29   2.159 -11.119   1.526
  193    HG   LEU  29           HG       LEU  29   3.854 -11.308   3.285
  194   1HD1  LEU  29          1HD1      LEU  29   2.820  -9.145   2.883
  195   2HD1  LEU  29          2HD1      LEU  29   1.541  -9.526   4.034
  196   3HD1  LEU  29          3HD1      LEU  29   3.204  -9.345   4.593
  197   1HD2  LEU  29          1HD2      LEU  29   2.784 -13.002   4.665
  198   2HD2  LEU  29          2HD2      LEU  29   3.173 -11.576   5.625
  199   3HD2  LEU  29          3HD2      LEU  29   1.512 -11.863   5.105
  200    H    GLY  30           H        GLY  30   2.520 -13.366  -0.404
  201   1HA   GLY  30          1HA       GLY  30   1.302 -14.579  -2.043
  202   2HA   GLY  30          2HA       GLY  30  -0.090 -14.575  -0.975
  203    H    MET  31           H        MET  31   1.302 -11.512  -1.053
  204    HA   MET  31           HA       MET  31  -0.851 -10.557  -2.767
  205   1HB   MET  31          2HB       MET  31   1.039  -9.202  -0.857
  206   1HG   MET  31          2HG       MET  31  -0.978  -8.418   0.223
  207   1HE   MET  31          1HE       MET  31  -2.338  -9.596   2.157
  208   2HE   MET  31          2HE       MET  31  -3.355 -10.394   0.957
  209   3HE   MET  31          3HE       MET  31  -2.607 -11.336   2.248
  210    H    LEU  32           H        LEU  32  -0.344 -10.719  -4.867
  211    HA   LEU  32           HA       LEU  32   2.328 -10.034  -5.797
  212   1HB   LEU  32          2HB       LEU  32  -0.111 -11.148  -7.166
  213    HG   LEU  32           HG       LEU  32   2.643 -12.343  -6.840
  214   1HD1  LEU  32          1HD1      LEU  32   1.490 -12.379  -4.728
  215   2HD1  LEU  32          2HD1      LEU  32   0.027 -12.996  -5.494
  216   3HD1  LEU  32          3HD1      LEU  32   1.475 -14.001  -5.422
  217   1HD2  LEU  32          1HD2      LEU  32   0.118 -13.447  -8.065
  218   2HD2  LEU  32          2HD2      LEU  32   1.578 -12.978  -8.932
  219   3HD2  LEU  32          3HD2      LEU  32   1.616 -14.343  -7.817
  220    HA   PRO  33           HA       PRO  33   1.838  -5.915  -7.269
  221   1HB   PRO  33          2HB       PRO  33   1.940  -7.057 -10.037
  222   1HG   PRO  33          2HG       PRO  33   4.017  -8.032  -9.684
  223   1HD   PRO  33          2HD       PRO  33   2.859  -9.534  -8.414
  224    H    GLY  34           H        GLY  34  -0.006  -4.811  -7.305
  225   1HA   GLY  34          1HA       GLY  34  -1.982  -4.078  -8.449
  226   2HA   GLY  34          2HA       GLY  34  -2.168  -5.704  -9.091
  227    H    SER  35           H        SER  35  -1.376  -5.163  -5.744
  228    HA   SER  35           HA       SER  35  -3.926  -6.374  -4.987
  229   1HB   SER  35          2HB       SER  35  -1.887  -7.370  -4.051
  230    HG   SER  35           HG       SER  35  -2.522  -6.621  -1.693
  231    H    SER  36           H        SER  36  -4.766  -5.527  -2.763
  232    HA   SER  36           HA       SER  36  -4.773  -2.581  -2.834
  233   1HB   SER  36          2HB       SER  36  -6.886  -3.443  -3.726
  234    HG   SER  36           HG       SER  36  -8.235  -2.629  -1.808
  235    H    PHE  37           H        PHE  37  -4.961  -1.498  -0.849
  236    HA   PHE  37           HA       PHE  37  -5.169  -2.940   1.624
  237   1HB   PHE  37          2HB       PHE  37  -2.954  -2.457   2.481
  238    HD1  PHE  37           1HD      PHE  37  -1.606  -0.620   2.752
  239    HD2  PHE  37           2HD      PHE  37  -2.585  -1.896  -1.187
  240    HE1  PHE  37           1HE      PHE  37  -0.125   1.113   1.827
  241    HE2  PHE  37           2HE      PHE  37  -1.103  -0.168  -2.120
  242    HZ   PHE  37           HZ       PHE  37   0.129   1.339  -0.612
  243    H    HIS  38           H        HIS  38  -4.433  -1.301   3.485
  244    HA   HIS  38           HA       HIS  38  -5.335   1.395   2.743
  245   1HB   HIS  38          2HB       HIS  38  -6.282  -0.185   5.143
  246    HD1  HIS  38           1HD      HIS  38  -7.542  -1.985   3.840
  247    HD2  HIS  38           2HD      HIS  38  -8.533   1.888   2.707
  248    HE1  HIS  38           1HE      HIS  38  -9.580  -2.211   2.383
  249    HE2  HIS  38           2HE      HIS  38 -10.122   0.139   1.654
  250    H    VAL  39           H        VAL  39  -4.605   3.086   4.108
  251    HA   VAL  39           HA       VAL  39  -2.050   2.481   5.368
  252    HB   VAL  39           HB       VAL  39  -3.344   5.154   4.808
  253   1HG1  VAL  39          1HG1      VAL  39  -1.029   6.019   5.177
  254   2HG1  VAL  39          2HG1      VAL  39  -1.808   5.381   6.626
  255   3HG1  VAL  39          3HG1      VAL  39  -0.591   4.422   5.785
  256   1HG2  VAL  39          1HG2      VAL  39  -1.180   3.664   3.326
  257   2HG2  VAL  39          2HG2      VAL  39  -2.823   3.961   2.757
  258   3HG2  VAL  39          3HG2      VAL  39  -1.711   5.311   2.980
  259    H    VAL  40           H        VAL  40  -1.569   2.825   7.494
  260    HA   VAL  40           HA       VAL  40  -3.857   3.121   9.286
  261    HB   VAL  40           HB       VAL  40  -1.026   2.254   9.886
  262   1HG1  VAL  40          1HG1      VAL  40  -2.083   3.274  11.826
  263   2HG1  VAL  40          2HG1      VAL  40  -3.488   2.227  11.628
  264   3HG1  VAL  40          3HG1      VAL  40  -1.924   1.531  12.049
  265   1HG2  VAL  40          1HG2      VAL  40  -2.241   0.667   8.470
  266   2HG2  VAL  40          2HG2      VAL  40  -1.959   0.013  10.083
  267   3HG2  VAL  40          3HG2      VAL  40  -3.554   0.626   9.647
  268    H    ARG  41           H        ARG  41  -0.700   4.564   8.611
  269    HA   ARG  41           HA       ARG  41  -1.445   7.141   9.382
  270   1HB   ARG  41          2HB       ARG  41  -0.202   7.387  11.501
  271   1HG   ARG  41          2HG       ARG  41  -0.032   4.381  11.488
  272   1HD   ARG  41          2HD       ARG  41  -0.454   5.365  13.702
  273    HE   ARG  41           HE       ARG  41   1.316   7.374  12.957
  274   1HH1  ARG  41          2HH1      ARG  41   0.785   5.243  15.659
  275   2HH1  ARG  41          1HH1      ARG  41   1.428   6.350  16.827
  276   1HH2  ARG  41          2HH2      ARG  41   2.169   8.840  14.485
  277   2HH2  ARG  41          1HH2      ARG  41   2.215   8.395  16.158
  278    H    VAL  42           H        VAL  42  -0.087   8.457   8.355
  279    HA   VAL  42           HA       VAL  42   2.757   7.846   8.245
  280    HB   VAL  42           HB       VAL  42   1.876   6.723   6.254
  281   1HG1  VAL  42          1HG1      VAL  42   0.848   9.450   5.483
  282   2HG1  VAL  42          2HG1      VAL  42   0.849   8.023   4.446
  283   3HG1  VAL  42          3HG1      VAL  42  -0.130   8.047   5.914
  284   1HG2  VAL  42          1HG2      VAL  42   3.375   9.241   5.534
  285   2HG2  VAL  42          2HG2      VAL  42   4.105   7.774   6.189
  286   3HG2  VAL  42          3HG2      VAL  42   3.328   7.742   4.607
  287    H    ALA  43           H        ALA  43   4.040   9.645   7.426
  288    HA   ALA  43           HA       ALA  43   2.670  12.225   7.813
  289   1HB   ALA  43          1HB       ALA  43   4.286  11.684   9.581
  290   2HB   ALA  43          2HB       ALA  43   5.561  11.564   8.367
  291   3HB   ALA  43          3HB       ALA  43   4.763  13.110   8.662
  292    HA   PRO  44           HA       PRO  44   3.911  13.452   3.764
  293   1HB   PRO  44          2HB       PRO  44   4.214  16.120   4.050
  294   1HG   PRO  44          2HG       PRO  44   4.382  16.252   6.363
  295   1HD   PRO  44          2HD       PRO  44   3.765  14.505   7.722
  296    H    LEU  45           H        LEU  45   6.007  14.063   6.451
  297    HA   LEU  45           HA       LEU  45   8.220  14.909   4.767
  298   1HB   LEU  45          2HB       LEU  45   7.900  15.971   6.950
  299    HG   LEU  45           HG       LEU  45  10.403  14.281   6.977
  300   1HD1  LEU  45          1HD1      LEU  45   9.898  17.027   5.840
  301   2HD1  LEU  45          2HD1      LEU  45  11.466  16.226   5.939
  302   3HD1  LEU  45          3HD1      LEU  45  10.198  15.555   4.915
  303   1HD2  LEU  45          1HD2      LEU  45  11.308  16.070   8.387
  304   2HD2  LEU  45          2HD2      LEU  45   9.728  16.856   8.396
  305   3HD2  LEU  45          3HD2      LEU  45   9.931  15.272   9.148
  306    H    GLY  46           H        GLY  46   7.886  12.400   7.286
  307   1HA   GLY  46          1HA       GLY  46   8.547  10.192   5.761
  308   2HA   GLY  46          2HA       GLY  46  10.078  10.883   6.279
  309    H    ASP  47           H        ASP  47   7.513   8.855   7.103
  310    HA   ASP  47           HA       ASP  47   8.700   8.357   9.715
  311   1HB   ASP  47          2HB       ASP  47   5.843   9.222   9.291
  312    HA   PRO  48           HA       PRO  48   7.482   4.206   8.796
  313   1HB   PRO  48          2HB       PRO  48   6.819   3.423  11.458
  314   1HG   PRO  48          2HG       PRO  48   7.886   4.906  12.809
  315   1HD   PRO  48          2HD       PRO  48   6.691   6.586  11.773
  316    H    VAL  49           H        VAL  49   5.661   3.901   7.692
  317    HA   VAL  49           HA       VAL  49   3.080   4.220   9.059
  318    HB   VAL  49           HB       VAL  49   3.238   5.610   7.110
  319   1HG1  VAL  49          1HG1      VAL  49   5.036   4.490   5.950
  320   2HG1  VAL  49          2HG1      VAL  49   3.994   3.107   5.608
  321   3HG1  VAL  49          3HG1      VAL  49   3.654   4.672   4.869
  322   1HG2  VAL  49          1HG2      VAL  49   1.354   4.826   5.797
  323   2HG2  VAL  49          2HG2      VAL  49   1.566   3.192   6.426
  324   3HG2  VAL  49          3HG2      VAL  49   1.077   4.496   7.507
  325    H    HIS  50           H        HIS  50   1.613   2.581   9.139
  326    HA   HIS  50           HA       HIS  50   2.605  -0.071   8.376
  327   1HB   HIS  50          2HB       HIS  50   0.451   0.773  10.323
  328    HD1  HIS  50           1HD      HIS  50   1.894   1.918  12.042
  329    HD2  HIS  50           2HD      HIS  50   3.416  -1.759  10.841
  330    HE1  HIS  50           1HE      HIS  50   3.793   1.427  13.620
  331    HE2  HIS  50           2HE      HIS  50   4.738  -0.774  12.835
  332    H    ILE  51           H        ILE  51   1.644  -1.250   6.835
  333    HA   ILE  51           HA       ILE  51  -0.694  -0.102   5.501
  334    HB   ILE  51           HB       ILE  51  -0.200  -1.636   3.663
  335   1HG1  ILE  51          2HG1      ILE  51   2.180  -2.509   5.317
  336   1HG2  ILE  51          1HG2      ILE  51   2.213  -0.096   4.608
  337   2HG2  ILE  51          2HG2      ILE  51   1.930  -0.650   2.959
  338   3HG2  ILE  51          3HG2      ILE  51   0.859   0.551   3.680
  339   1HD1  ILE  51          1HD1      ILE  51   2.542  -4.173   3.595
  340   2HD1  ILE  51          2HD1      ILE  51   1.193  -3.520   2.663
  341   3HD1  ILE  51          3HD1      ILE  51   2.638  -2.546   2.923
  342    H    GLU  52           H        GLU  52  -2.623  -1.148   5.302
  343    HA   GLU  52           HA       GLU  52  -2.934  -3.580   6.924
  344   1HB   GLU  52          2HB       GLU  52  -4.236  -1.617   7.660
  345   1HG   GLU  52          2HG       GLU  52  -6.001  -3.759   6.496
  346    H    THR  53           H        THR  53  -2.556  -5.201   5.492
  347    HA   THR  53           HA       THR  53  -3.969  -5.191   2.931
  348    HB   THR  53           HB       THR  53  -2.589  -7.099   2.323
  349    HG1  THR  53           1HG      THR  53  -0.895  -7.668   3.949
  350   1HG2  THR  53          1HG2      THR  53  -1.624  -4.880   2.003
  351   2HG2  THR  53          2HG2      THR  53  -0.370  -6.050   2.417
  352   3HG2  THR  53          3HG2      THR  53  -0.960  -4.920   3.637
  353    H    ARG  54           H        ARG  54  -4.400  -7.782   2.396
  354    HA   ARG  54           HA       ARG  54  -6.819  -8.382   3.567
  355   1HB   ARG  54          2HB       ARG  54  -4.816 -10.244   2.282
  356   1HG   ARG  54          2HG       ARG  54  -5.698  -8.464   0.812
  357   1HD   ARG  54          2HD       ARG  54  -8.350  -9.783   1.372
  358    HE   ARG  54           HE       ARG  54  -7.584  -8.375  -0.905
  359   1HH1  ARG  54          2HH1      ARG  54 -10.069  -8.274   1.532
  360   2HH1  ARG  54          1HH1      ARG  54 -11.252  -7.569   0.482
  361   1HH2  ARG  54          2HH2      ARG  54  -9.132  -7.446  -2.299
  362   2HH2  ARG  54          1HH2      ARG  54 -10.718  -7.097  -1.697
  363    H    ARG  55           H        ARG  55  -6.898  -8.343   5.777
  364    HA   ARG  55           HA       ARG  55  -6.654  -9.023   7.925
  365   1HB   ARG  55          2HB       ARG  55  -6.205 -11.667   6.533
  366   1HG   ARG  55          2HG       ARG  55  -8.709 -10.502   7.739
  367   1HD   ARG  55          2HD       ARG  55  -9.805 -12.496   6.897
  368    HE   ARG  55           HE       ARG  55  -8.013 -12.622   9.029
  369   1HH1  ARG  55          2HH1      ARG  55  -9.649 -14.771   6.834
  370   2HH1  ARG  55          1HH1      ARG  55  -9.686 -16.095   7.949
  371   1HH2  ARG  55          2HH2      ARG  55  -8.055 -14.359  10.509
  372   2HH2  ARG  55          1HH2      ARG  55  -8.778 -15.860  10.039
  373    H    VAL  56           H        VAL  56  -4.233  -8.067   6.568
  374    HA   VAL  56           HA       VAL  56  -2.319  -9.087   8.505
  375    HB   VAL  56           HB       VAL  56  -1.726  -9.146   5.543
  376   1HG1  VAL  56          1HG1      VAL  56   0.451 -10.083   6.227
  377   2HG1  VAL  56          2HG1      VAL  56   0.219  -8.428   6.791
  378   3HG1  VAL  56          3HG1      VAL  56   0.032  -9.776   7.913
  379   1HG2  VAL  56          1HG2      VAL  56  -1.493 -11.556   5.843
  380   2HG2  VAL  56          2HG2      VAL  56  -1.933 -11.396   7.543
  381   3HG2  VAL  56          3HG2      VAL  56  -3.113 -11.020   6.286
  382    H    SER  57           H        SER  57  -1.506  -7.347   9.450
  383    HA   SER  57           HA       SER  57  -1.298  -4.851   7.926
  384   1HB   SER  57          2HB       SER  57  -2.560  -4.709  10.019
  385    HG   SER  57           HG       SER  57  -0.097  -3.475  10.590
  386    H    LEU  58           H        LEU  58   0.610  -4.647   6.945
  387    HA   LEU  58           HA       LEU  58   3.032  -5.563   8.329
  388   1HB   LEU  58          2HB       LEU  58   2.560  -6.392   6.021
  389    HG   LEU  58           HG       LEU  58   5.058  -4.717   6.289
  390   1HD1  LEU  58          1HD1      LEU  58   6.128  -6.861   6.770
  391   2HD1  LEU  58          2HD1      LEU  58   4.861  -6.497   7.940
  392   3HD1  LEU  58          3HD1      LEU  58   4.564  -7.668   6.657
  393   1HD2  LEU  58          1HD2      LEU  58   4.577  -5.088   3.941
  394   2HD2  LEU  58          2HD2      LEU  58   5.941  -6.082   4.447
  395   3HD2  LEU  58          3HD2      LEU  58   4.349  -6.810   4.236
  396    H    VAL  59           H        VAL  59   4.951  -4.212   8.243
  397    HA   VAL  59           HA       VAL  59   4.262  -1.359   8.425
  398    HB   VAL  59           HB       VAL  59   5.231  -2.399  10.455
  399   1HG1  VAL  59          1HG1      VAL  59   6.667  -4.046   9.365
  400   2HG1  VAL  59          2HG1      VAL  59   7.689  -2.750   8.742
  401   3HG1  VAL  59          3HG1      VAL  59   7.591  -3.037  10.479
  402   1HG2  VAL  59          1HG2      VAL  59   7.000  -0.334   9.149
  403   2HG2  VAL  59          2HG2      VAL  59   5.506  -0.008  10.028
  404   3HG2  VAL  59          3HG2      VAL  59   6.902  -0.670  10.877
  405    H    LEU  60           H        LEU  60   5.318   0.162   7.233
  406    HA   LEU  60           HA       LEU  60   7.593  -0.639   5.588
  407   1HB   LEU  60          2HB       LEU  60   5.025   0.499   4.488
  408    HG   LEU  60           HG       LEU  60   4.994  -1.956   4.644
  409   1HD1  LEU  60          1HD1      LEU  60   5.335  -0.912   1.836
  410   2HD1  LEU  60          2HD1      LEU  60   4.528  -2.413   2.290
  411   3HD1  LEU  60          3HD1      LEU  60   3.855  -0.864   2.792
  412   1HD2  LEU  60          1HD2      LEU  60   7.457  -1.828   2.907
  413   2HD2  LEU  60          2HD2      LEU  60   7.411  -2.336   4.595
  414   3HD2  LEU  60          3HD2      LEU  60   6.582  -3.290   3.364
  415    H    ARG  61           H        ARG  61   8.974   1.014   5.062
  416    HA   ARG  61           HA       ARG  61   8.351   3.631   6.261
  417   1HB   ARG  61          2HB       ARG  61  10.232   2.418   7.317
  418   1HG   ARG  61          2HG       ARG  61  11.137   4.833   5.762
  419   1HD   ARG  61          2HD       ARG  61  13.020   3.595   6.680
  420    HE   ARG  61           HE       ARG  61  11.435   2.965   8.828
  421   1HH1  ARG  61          2HH1      ARG  61  14.560   4.427   8.363
  422   2HH1  ARG  61          1HH1      ARG  61  15.204   3.839   9.859
  423   1HH2  ARG  61          2HH2      ARG  61  12.271   2.183  10.804
  424   2HH2  ARG  61          1HH2      ARG  61  13.903   2.562  11.246
  425    H    LYS  62           H        LYS  62   9.392   5.509   5.193
  426    HA   LYS  62           HA       LYS  62   8.629   5.853   2.587
  427   1HB   LYS  62          2HB       LYS  62  10.969   7.199   3.949
  428   1HG   LYS  62          2HG       LYS  62   8.907   7.454   5.247
  429   1HD   LYS  62          2HD       LYS  62   7.264   9.114   3.936
  430   1HE   LYS  62          2HE       LYS  62   7.151   6.103   3.802
  431   1HZ   LYS  62          1HZ       LYS  62   5.520   7.141   2.356
  432   2HZ   LYS  62          2HZ       LYS  62   4.967   8.108   3.629
  433   3HZ   LYS  62          3HZ       LYS  62   4.763   6.429   3.692
  434    H    LYS  63           H        LYS  63  11.506   4.316   3.768
  435    HA   LYS  63           HA       LYS  63  12.903   4.392   1.256
  436   1HB   LYS  63          2HB       LYS  63  14.563   3.017   2.342
  437   1HG   LYS  63          2HG       LYS  63  12.607   2.718   4.612
  438   1HD   LYS  63          2HD       LYS  63  15.466   1.813   4.296
  439   1HE   LYS  63          2HE       LYS  63  15.184   0.845   6.546
  440   1HZ   LYS  63          1HZ       LYS  63  13.891  -1.085   5.878
  441   2HZ   LYS  63          2HZ       LYS  63  14.932  -0.606   4.634
  442   3HZ   LYS  63          3HZ       LYS  63  13.282  -0.247   4.541
  443    H    ASP  64           H        ASP  64  10.716   2.221   2.886
  444    HA   ASP  64           HA       ASP  64  11.231  -0.005   1.134
  445   1HB   ASP  64          2HB       ASP  64   9.003   0.475   3.125
  446    H    LEU  65           H        LEU  65   8.961   2.650   1.302
  447    HA   LEU  65           HA       LEU  65   7.245   1.568  -0.750
  448   1HB   LEU  65          2HB       LEU  65   7.338   4.269   0.585
  449    HG   LEU  65           HG       LEU  65   5.505   1.906   0.933
  450   1HD1  LEU  65          1HD1      LEU  65   5.987   2.305   3.317
  451   2HD1  LEU  65          2HD1      LEU  65   7.434   1.929   2.385
  452   3HD1  LEU  65          3HD1      LEU  65   7.097   3.593   2.857
  453   1HD2  LEU  65          1HD2      LEU  65   4.058   3.359   2.267
  454   2HD2  LEU  65          2HD2      LEU  65   5.030   4.755   1.798
  455   3HD2  LEU  65          3HD2      LEU  65   4.113   3.869   0.580
  456    H    ALA  66           H        ALA  66  10.134   3.403  -0.655
  457    HA   ALA  66           HA       ALA  66   9.849   4.921  -3.017
  458   1HB   ALA  66          1HB       ALA  66  12.243   5.221  -2.911
  459   2HB   ALA  66          2HB       ALA  66  11.559   5.345  -1.291
  460   3HB   ALA  66          3HB       ALA  66  12.393   3.872  -1.785
  461    H    LEU  67           H        LEU  67  10.631   1.581  -2.451
  462    HA   LEU  67           HA       LEU  67  11.657   1.166  -5.131
  463   1HB   LEU  67          2HB       LEU  67  11.066  -0.750  -2.876
  464    HG   LEU  67           HG       LEU  67  13.056   0.660  -2.470
  465   1HD1  LEU  67          1HD1      LEU  67  13.668  -2.217  -3.132
  466   2HD1  LEU  67          2HD1      LEU  67  14.633  -1.169  -2.093
  467   3HD1  LEU  67          3HD1      LEU  67  12.995  -1.617  -1.616
  468   1HD2  LEU  67          1HD2      LEU  67  14.050  -0.549  -5.049
  469   2HD2  LEU  67          2HD2      LEU  67  13.649   1.148  -4.778
  470   3HD2  LEU  67          3HD2      LEU  67  15.011   0.416  -3.928
  471    H    ILE  68           H        ILE  68   8.920  -0.143  -3.253
  472    HA   ILE  68           HA       ILE  68   7.646  -1.339  -5.474
  473    HB   ILE  68           HB       ILE  68   5.697  -1.576  -4.025
  474   1HG1  ILE  68          2HG1      ILE  68   7.241   0.188  -2.112
  475   1HG2  ILE  68          1HG2      ILE  68   6.746  -2.863  -2.231
  476   2HG2  ILE  68          2HG2      ILE  68   7.551  -3.141  -3.774
  477   3HG2  ILE  68          3HG2      ILE  68   8.290  -2.084  -2.572
  478   1HD1  ILE  68          1HD1      ILE  68   5.297   0.053  -0.658
  479   2HD1  ILE  68          2HD1      ILE  68   4.561  -1.124  -1.747
  480   3HD1  ILE  68          3HD1      ILE  68   6.043  -1.529  -0.883
  481    H    GLU  69           H        GLU  69   5.658  -0.733  -6.497
  482    HA   GLU  69           HA       GLU  69   5.369   2.183  -6.737
  483   1HB   GLU  69          2HB       GLU  69   5.947   0.825  -8.779
  484   1HG   GLU  69          2HG       GLU  69   4.335   1.834 -10.292
  485    H    LEU  70           H        LEU  70   3.319   3.148  -6.691
  486    HA   LEU  70           HA       LEU  70   1.178   1.448  -5.588
  487   1HB   LEU  70          2HB       LEU  70   1.868   4.297  -4.879
  488    HG   LEU  70           HG       LEU  70   1.888   3.340  -2.520
  489   1HD1  LEU  70          1HD1      LEU  70   2.250   0.760  -4.033
  490   2HD1  LEU  70          2HD1      LEU  70   2.415   0.982  -2.292
  491   3HD1  LEU  70          3HD1      LEU  70   0.843   1.194  -3.062
  492   1HD2  LEU  70          1HD2      LEU  70   4.070   2.474  -4.412
  493   2HD2  LEU  70          2HD2      LEU  70   3.906   4.077  -3.699
  494   3HD2  LEU  70          3HD2      LEU  70   4.222   2.679  -2.670
  495    H    GLU  71           H        GLU  71  -0.986   2.047  -6.085
  496    HA   GLU  71           HA       GLU  71  -1.284   3.899  -8.350
  497   1HB   GLU  71          2HB       GLU  71  -1.245   1.602  -9.221
  498   1HG   GLU  71          2HG       GLU  71  -4.037   2.722  -9.260
  499    H    ALA  72           H        ALA  72  -3.255   4.984  -8.481
  500    HA   ALA  72           HA       ALA  72  -4.507   5.611  -6.054
  501   1HB   ALA  72          1HB       ALA  72  -4.432   7.116  -8.003
  502   2HB   ALA  72          2HB       ALA  72  -5.575   6.066  -8.837
  503   3HB   ALA  72          3HB       ALA  72  -6.066   6.913  -7.370
  504    H    VAL  73           H        VAL  73  -6.893   5.448  -5.662
  505    HA   VAL  73           HA       VAL  73  -7.765   2.691  -6.181
  506    HB   VAL  73           HB       VAL  73  -9.297   2.997  -4.273
  507   1HG1  VAL  73          1HG1      VAL  73  -7.580   3.051  -2.509
  508   2HG1  VAL  73          2HG1      VAL  73  -7.113   2.035  -3.872
  509   3HG1  VAL  73          3HG1      VAL  73  -6.410   3.643  -3.688
  510   1HG2  VAL  73          1HG2      VAL  73  -9.606   5.425  -4.485
  511   2HG2  VAL  73          2HG2      VAL  73  -9.135   4.960  -2.851
  512   3HG2  VAL  73          3HG2      VAL  73  -7.947   5.675  -3.942
  513    H    ALA  74           H        ALA  74 -10.124   2.346  -6.443
  514    HA   ALA  74           HA       ALA  74 -11.134   3.952  -8.552
  515   1HB   ALA  74          1HB       ALA  74 -13.115   2.516  -8.431
  516   2HB   ALA  74          2HB       ALA  74 -11.625   1.573  -8.406
  517   3HB   ALA  74          3HB       ALA  74 -12.528   1.837  -6.913
  518    H    GLN  75           H        GLN  75 -12.381   5.707  -8.511
  519    HA   GLN  75           HA       GLN  75 -12.944   7.112  -6.163
  520   1HB   GLN  75          2HB       GLN  75 -12.784   8.198  -8.348
  521   1HG   GLN  75          2HG       GLN  75 -15.604   8.573  -7.401
  522   1HE2  GLN  75          1HE2      GLN  75 -13.056  10.924  -7.507
  523   2HE2  GLN  75          2HE2      GLN  75 -13.673  11.833  -8.841
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -3.986  15.815  -3.329
    2   2H    MET   1          2H        MET   1  -5.636  15.549  -3.588
    3   3H    MET   1          3H        MET   1  -4.498  14.447  -4.184
    4    HA   MET   1           HA       MET   1  -4.988  15.015  -1.320
    5   1HB   MET   1          2HB       MET   1  -6.004  12.789  -1.243
    6   1HG   MET   1          2HG       MET   1  -5.694  12.784  -4.238
    7   1HE   MET   1          1HE       MET   1  -6.143   9.976  -1.544
    8   2HE   MET   1          2HE       MET   1  -7.289  11.201  -0.999
    9   3HE   MET   1          3HE       MET   1  -7.878   9.663  -1.632
   10    H    GLN   2           H        GLN   2  -3.768  13.766   0.123
   11    HA   GLN   2           HA       GLN   2  -1.363  12.556  -1.071
   12   1HB   GLN   2          2HB       GLN   2  -1.706  13.853   1.639
   13   1HG   GLN   2          2HG       GLN   2   0.014  14.734  -0.652
   14   1HE2  GLN   2          1HE2      GLN   2  -1.795  16.664   1.605
   15   2HE2  GLN   2          2HE2      GLN   2  -0.434  17.317   2.445
   16    H    PHE   3           H        PHE   3  -0.332  10.863   0.365
   17    HA   PHE   3           HA       PHE   3  -2.251   8.816   0.869
   18   1HB   PHE   3          2HB       PHE   3   0.671   8.803   1.642
   19    HD1  PHE   3           1HD      PHE   3  -1.440   7.246  -1.008
   20    HD2  PHE   3           2HD      PHE   3   2.060   9.473  -0.058
   21    HE1  PHE   3           1HE      PHE   3  -0.750   7.159  -3.368
   22    HE2  PHE   3           2HE      PHE   3   2.756   9.394  -2.418
   23    HZ   PHE   3           HZ       PHE   3   1.349   8.237  -4.076
   24    H    THR   4           H        THR   4  -3.607   9.466   2.522
   25    HA   THR   4           HA       THR   4  -2.352   9.822   5.164
   26    HB   THR   4           HB       THR   4  -4.497  10.917   5.839
   27    HG1  THR   4           1HG      THR   4  -6.096  11.035   4.453
   28   1HG2  THR   4          1HG2      THR   4  -3.052  12.205   3.521
   29   2HG2  THR   4          2HG2      THR   4  -2.539  12.246   5.209
   30   3HG2  THR   4          3HG2      THR   4  -4.036  13.043   4.721
   31    HA   PRO   5           HA       PRO   5  -4.331   6.150   6.595
   32   1HB   PRO   5          2HB       PRO   5  -4.775   6.722   9.197
   33   1HG   PRO   5          2HG       PRO   5  -4.570   9.037   9.121
   34   1HD   PRO   5          2HD       PRO   5  -3.569  10.108   7.345
   35    H    ASP   6           H        ASP   6  -6.261   6.310   5.342
   36    HA   ASP   6           HA       ASP   6  -8.638   6.229   6.787
   37   1HB   ASP   6          2HB       ASP   6  -8.405   8.639   7.054
   38    H    SER   7           H        SER   7  -7.120   6.960   3.699
   39    HA   SER   7           HA       SER   7  -9.332   5.656   2.285
   40   1HB   SER   7          2HB       SER   7  -7.010   7.279   1.216
   41    HG   SER   7           HG       SER   7  -8.292   8.835   1.822
   42    H    ALA   8           H        ALA   8  -8.666   4.258   0.403
   43    HA   ALA   8           HA       ALA   8  -6.510   2.460   1.279
   44   1HB   ALA   8          1HB       ALA   8  -7.648   0.720  -0.001
   45   2HB   ALA   8          2HB       ALA   8  -8.732   1.451   1.183
   46   3HB   ALA   8          3HB       ALA   8  -8.863   1.888  -0.520
   47    H    TRP   9           H        TRP   9  -5.445   1.239  -0.572
   48    HA   TRP   9           HA       TRP   9  -5.233   2.745  -3.048
   49   1HB   TRP   9          2HB       TRP   9  -2.808   2.270  -1.304
   50    HD1  TRP   9           HD       TRP   9  -3.648   3.733   0.762
   51    HE1  TRP   9           1HE      TRP   9  -3.983   6.267   1.057
   52    HE3  TRP   9           3HE      TRP   9  -3.537   5.148  -4.151
   53    HZ2  TRP   9           2HZ      TRP   9  -4.174   8.561  -0.573
   54    HZ3  TRP   9           3HZ      TRP   9  -3.803   7.532  -4.697
   55    HH2  TRP   9           HH       TRP   9  -4.115   9.202  -2.943
   56    H    LYS  10           H        LYS  10  -3.509   1.634  -4.498
   57    HA   LYS  10           HA       LYS  10  -3.939  -1.263  -4.262
   58   1HB   LYS  10          2HB       LYS  10  -3.377   0.440  -6.693
   59   1HG   LYS  10          2HG       LYS  10  -5.705   0.561  -5.860
   60   1HD   LYS  10          2HD       LYS  10  -5.892  -1.653  -4.862
   61   1HE   LYS  10          2HE       LYS  10  -5.726  -2.643  -7.704
   62   1HZ   LYS  10          1HZ       LYS  10  -7.360  -3.880  -6.433
   63   2HZ   LYS  10          2HZ       LYS  10  -6.238  -4.148  -5.197
   64   3HZ   LYS  10          3HZ       LYS  10  -5.992  -4.834  -6.723
   65    H    ILE  11           H        ILE  11  -2.255  -2.560  -3.926
   66    HA   ILE  11           HA       ILE  11   0.383  -1.461  -3.655
   67    HB   ILE  11           HB       ILE  11  -0.572  -4.319  -3.442
   68   1HG1  ILE  11          2HG1      ILE  11  -0.012  -2.203  -1.358
   69   1HG2  ILE  11          1HG2      ILE  11   1.565  -4.713  -2.255
   70   2HG2  ILE  11          2HG2      ILE  11   1.781  -4.299  -3.957
   71   3HG2  ILE  11          3HG2      ILE  11   2.081  -3.089  -2.708
   72   1HD1  ILE  11          1HD1      ILE  11  -0.705  -3.841   0.304
   73   2HD1  ILE  11          2HD1      ILE  11  -0.765  -5.084  -0.945
   74   3HD1  ILE  11          3HD1      ILE  11   0.775  -4.336  -0.517
   75    H    THR  12           H        THR  12   1.935  -1.387  -5.131
   76    HA   THR  12           HA       THR  12   1.842  -3.252  -7.403
   77    HB   THR  12           HB       THR  12   2.571  -0.328  -7.670
   78    HG1  THR  12           1HG      THR  12   0.287  -0.717  -7.262
   79   1HG2  THR  12          1HG2      THR  12   2.408  -0.807 -10.083
   80   2HG2  THR  12          2HG2      THR  12   2.109  -2.505  -9.714
   81   3HG2  THR  12          3HG2      THR  12   3.659  -1.772  -9.300
   82    H    GLY  13           H        GLY  13   3.365  -4.011  -5.455
   83   1HA   GLY  13          1HA       GLY  13   5.891  -2.873  -5.100
   84   2HA   GLY  13          2HA       GLY  13   5.501  -4.566  -4.842
   85    H    PHE  14           H        PHE  14   6.614  -2.202  -7.182
   86    HA   PHE  14           HA       PHE  14   8.115  -4.304  -8.523
   87   1HB   PHE  14          2HB       PHE  14   6.013  -4.176  -9.794
   88    HD1  PHE  14           1HD      PHE  14   7.162  -5.785 -11.118
   89    HD2  PHE  14           2HD      PHE  14   8.088  -1.647 -11.469
   90    HE1  PHE  14           1HE      PHE  14   8.449  -6.251 -13.162
   91    HE2  PHE  14           2HE      PHE  14   9.377  -2.104 -13.514
   92    HZ   PHE  14           HZ       PHE  14   9.557  -4.409 -14.364
   93    H    SER  15           H        SER  15  10.028  -3.429  -7.874
   94    HA   SER  15           HA       SER  15  10.560  -0.610  -8.423
   95   1HB   SER  15          2HB       SER  15  12.365  -2.623  -7.069
   96    HG   SER  15           HG       SER  15  11.457  -2.058  -5.190
   97    H    ARG  16           H        ARG  16  13.152  -0.463  -8.954
   98    HA   ARG  16           HA       ARG  16  13.317  -1.513 -11.649
   99   1HB   ARG  16          2HB       ARG  16  15.249  -0.045 -11.888
  100   1HG   ARG  16          2HG       ARG  16  14.880   0.540  -8.959
  101   1HD   ARG  16          2HD       ARG  16  15.271   2.600 -10.169
  102    HE   ARG  16           HE       ARG  16  16.937   1.124 -11.850
  103   1HH1  ARG  16          2HH1      ARG  16  16.925   4.167 -10.158
  104   2HH1  ARG  16          1HH1      ARG  16  17.943   4.963 -11.312
  105   1HH2  ARG  16          2HH2      ARG  16  18.278   2.164 -13.380
  106   2HH2  ARG  16          1HH2      ARG  16  18.713   3.825 -13.143
  107    H    ASP  17           H        ASP  17  14.697  -2.133  -8.529
  108    HA   ASP  17           HA       ASP  17  16.098  -4.439  -9.609
  109   1HB   ASP  17          2HB       ASP  17  17.516  -2.226  -8.117
  110    H    ILE  18           H        ILE  18  13.795  -4.095  -7.897
  111    HA   ILE  18           HA       ILE  18  14.193  -4.321  -5.200
  112    HB   ILE  18           HB       ILE  18  11.964  -4.285  -6.158
  113   1HG1  ILE  18          2HG1      ILE  18  12.426  -6.839  -4.603
  114   1HG2  ILE  18          1HG2      ILE  18  12.580  -7.071  -7.130
  115   2HG2  ILE  18          2HG2      ILE  18  11.001  -6.288  -7.210
  116   3HG2  ILE  18          3HG2      ILE  18  12.357  -5.636  -8.130
  117   1HD1  ILE  18          1HD1      ILE  18  10.208  -6.503  -3.699
  118   2HD1  ILE  18          2HD1      ILE  18   9.985  -5.090  -4.730
  119   3HD1  ILE  18          3HD1      ILE  18  10.146  -6.690  -5.451
  120    H    SER  19           H        SER  19  14.691  -5.937  -3.753
  121    HA   SER  19           HA       SER  19  16.180  -8.193  -4.862
  122   1HB   SER  19          2HB       SER  19  17.337  -6.861  -3.189
  123    HG   SER  19           HG       SER  19  16.896  -8.906  -1.494
  124    HA   PRO  20           HA       PRO  20  13.112 -11.258  -4.083
  125   1HB   PRO  20          2HB       PRO  20  14.719 -13.270  -3.066
  126   1HG   PRO  20          2HG       PRO  20  16.720 -12.112  -3.004
  127   1HD   PRO  20          2HD       PRO  20  17.007 -10.083  -4.094
  128    H    ALA  21           H        ALA  21  15.442 -10.520  -1.540
  129    HA   ALA  21           HA       ALA  21  14.344 -11.789   0.633
  130   1HB   ALA  21          1HB       ALA  21  15.297  -9.995   2.012
  131   2HB   ALA  21          2HB       ALA  21  16.417 -10.522   0.756
  132   3HB   ALA  21          3HB       ALA  21  15.525  -9.013   0.563
  133    H    TYR  22           H        TYR  22  13.433  -8.637  -0.709
  134    HA   TYR  22           HA       TYR  22  11.203  -8.387   1.126
  135   1HB   TYR  22          2HB       TYR  22  12.067  -6.632  -1.184
  136    HD1  TYR  22           1HD      TYR  22  14.420  -6.591  -0.522
  137    HD2  TYR  22           2HD      TYR  22  11.344  -5.528   2.220
  138    HE1  TYR  22           1HE      TYR  22  16.097  -5.564   0.954
  139    HE2  TYR  22           2HE      TYR  22  13.015  -4.498   3.703
  140    HH   TYR  22           HH       TYR  22  15.440  -4.677   4.149
  141    H    ARG  23           H        ARG  23  11.731  -8.883  -2.339
  142    HA   ARG  23           HA       ARG  23   9.053  -8.870  -3.152
  143   1HB   ARG  23          2HB       ARG  23  10.893  -8.746  -4.742
  144   1HG   ARG  23          2HG       ARG  23  10.242 -10.466  -6.390
  145   1HD   ARG  23          2HD       ARG  23   7.915  -9.193  -4.958
  146    HE   ARG  23           HE       ARG  23   7.724 -10.830  -7.102
  147   1HH1  ARG  23          2HH1      ARG  23   7.291  -7.402  -6.658
  148   2HH1  ARG  23          1HH1      ARG  23   6.102  -7.258  -7.909
  149   1HH2  ARG  23          2HH2      ARG  23   6.158 -10.651  -8.753
  150   2HH2  ARG  23          1HH2      ARG  23   5.457  -9.106  -9.100
  151    H    GLN  24           H        GLN  24  11.135 -11.733  -2.630
  152    HA   GLN  24           HA       GLN  24   9.206 -13.682  -2.841
  153   1HB   GLN  24          2HB       GLN  24  11.550 -13.659  -0.931
  154   1HG   GLN  24          2HG       GLN  24  11.350 -14.700  -3.747
  155   1HE2  GLN  24          1HE2      GLN  24  13.143 -15.784  -4.527
  156   2HE2  GLN  24          2HE2      GLN  24  14.317 -16.503  -3.484
  157    H    LYS  25           H        LYS  25  10.048 -11.762   0.010
  158    HA   LYS  25           HA       LYS  25   8.527 -13.041   1.924
  159   1HB   LYS  25          2HB       LYS  25  10.139 -11.116   2.239
  160   1HG   LYS  25          2HG       LYS  25   7.481 -10.724   3.592
  161   1HD   LYS  25          2HD       LYS  25   9.135  -8.938   3.976
  162   1HE   LYS  25          2HE       LYS  25  10.841 -11.181   5.048
  163   1HZ   LYS  25          1HZ       LYS  25  11.012  -9.176   6.388
  164   2HZ   LYS  25          2HZ       LYS  25  11.343  -8.255   5.009
  165   3HZ   LYS  25          3HZ       LYS  25  12.439  -9.439   5.516
  166    H    LEU  26           H        LEU  26   7.512 -11.056  -0.724
  167    HA   LEU  26           HA       LEU  26   4.838 -10.670   0.335
  168   1HB   LEU  26          2HB       LEU  26   5.975  -9.997  -2.380
  169    HG   LEU  26           HG       LEU  26   7.069  -8.677  -0.589
  170   1HD1  LEU  26          1HD1      LEU  26   6.741  -7.706  -2.797
  171   2HD1  LEU  26          2HD1      LEU  26   5.146  -7.128  -2.318
  172   3HD1  LEU  26          3HD1      LEU  26   6.589  -6.478  -1.541
  173   1HD2  LEU  26          1HD2      LEU  26   5.758  -7.099   0.716
  174   2HD2  LEU  26          2HD2      LEU  26   4.271  -7.713  -0.006
  175   3HD2  LEU  26          3HD2      LEU  26   5.238  -8.754   1.040
  176    H    LEU  27           H        LEU  27   6.387 -12.412  -2.341
  177    HA   LEU  27           HA       LEU  27   4.197 -13.553  -3.535
  178   1HB   LEU  27          2HB       LEU  27   6.903 -14.800  -3.071
  179    HG   LEU  27           HG       LEU  27   7.058 -12.694  -4.347
  180   1HD1  LEU  27          1HD1      LEU  27   7.469 -15.191  -5.987
  181   2HD1  LEU  27          2HD1      LEU  27   8.204 -13.618  -6.306
  182   3HD1  LEU  27          3HD1      LEU  27   8.610 -14.500  -4.833
  183   1HD2  LEU  27          1HD2      LEU  27   4.796 -12.674  -5.269
  184   2HD2  LEU  27          2HD2      LEU  27   6.007 -12.526  -6.543
  185   3HD2  LEU  27          3HD2      LEU  27   5.189 -14.067  -6.276
  186    H    SER  28           H        SER  28   5.777 -14.467  -0.545
  187    HA   SER  28           HA       SER  28   4.491 -16.979  -0.236
  188   1HB   SER  28          2HB       SER  28   5.256 -16.837   2.110
  189    HG   SER  28           HG       SER  28   6.712 -14.709   2.163
  190    H    LEU  29           H        LEU  29   3.761 -13.713   0.912
  191    HA   LEU  29           HA       LEU  29   1.522 -14.454   2.488
  192   1HB   LEU  29          2HB       LEU  29   2.218 -11.802   1.225
  193    HG   LEU  29           HG       LEU  29   3.942 -12.477   2.827
  194   1HD1  LEU  29          1HD1      LEU  29   2.077 -10.356   3.883
  195   2HD1  LEU  29          2HD1      LEU  29   3.766 -10.561   4.346
  196   3HD1  LEU  29          3HD1      LEU  29   3.353 -10.127   2.687
  197   1HD2  LEU  29          1HD2      LEU  29   1.666 -12.716   4.791
  198   2HD2  LEU  29          2HD2      LEU  29   2.612 -14.053   4.136
  199   3HD2  LEU  29          3HD2      LEU  29   3.383 -12.850   5.171
  200    H    GLY  30           H        GLY  30   1.969 -13.882  -0.896
  201   1HA   GLY  30          1HA       GLY  30   0.434 -14.653  -2.528
  202   2HA   GLY  30          2HA       GLY  30  -0.850 -14.538  -1.335
  203    H    MET  31           H        MET  31   1.231 -11.827  -1.460
  204    HA   MET  31           HA       MET  31  -0.869 -10.309  -2.829
  205   1HB   MET  31          2HB       MET  31   0.284  -8.323  -1.778
  206   1HG   MET  31          2HG       MET  31   1.686 -10.444  -0.173
  207   1HE   MET  31          1HE       MET  31   2.640  -6.702  -0.900
  208   2HE   MET  31          2HE       MET  31   0.881  -6.650  -0.789
  209   3HE   MET  31          3HE       MET  31   1.864  -5.877   0.452
  210    H    LEU  32           H        LEU  32  -0.435 -10.257  -4.945
  211    HA   LEU  32           HA       LEU  32   2.316  -9.688  -5.811
  212   1HB   LEU  32          2HB       LEU  32  -0.050 -10.808  -7.314
  213    HG   LEU  32           HG       LEU  32   2.590 -12.083  -6.590
  214   1HD1  LEU  32          1HD1      LEU  32  -0.251 -12.640  -5.767
  215   2HD1  LEU  32          2HD1      LEU  32   1.078 -13.775  -5.526
  216   3HD1  LEU  32          3HD1      LEU  32   1.109 -12.200  -4.736
  217   1HD2  LEU  32          1HD2      LEU  32   1.949 -12.652  -8.868
  218   2HD2  LEU  32          2HD2      LEU  32   1.752 -14.040  -7.799
  219   3HD2  LEU  32          3HD2      LEU  32   0.341 -13.115  -8.313
  220    HA   PRO  33           HA       PRO  33   1.728  -5.580  -7.264
  221   1HB   PRO  33          2HB       PRO  33   1.964  -6.710 -10.033
  222   1HG   PRO  33          2HG       PRO  33   4.095  -7.552  -9.596
  223   1HD   PRO  33          2HD       PRO  33   2.898  -9.132  -8.444
  224    H    GLY  34           H        GLY  34  -0.313  -4.943  -6.924
  225   1HA   GLY  34          1HA       GLY  34  -2.253  -4.128  -8.239
  226   2HA   GLY  34          2HA       GLY  34  -2.357  -5.754  -8.898
  227    H    SER  35           H        SER  35  -1.642  -5.071  -5.536
  228    HA   SER  35           HA       SER  35  -4.141  -6.424  -4.799
  229   1HB   SER  35          2HB       SER  35  -2.088  -7.445  -3.921
  230    HG   SER  35           HG       SER  35  -3.988  -7.409  -2.580
  231    H    SER  36           H        SER  36  -4.957  -5.646  -2.531
  232    HA   SER  36           HA       SER  36  -5.028  -2.699  -2.581
  233   1HB   SER  36          2HB       SER  36  -7.355  -2.848  -1.757
  234    HG   SER  36           HG       SER  36  -8.029  -4.687  -1.032
  235    H    PHE  37           H        PHE  37  -4.946  -1.602  -0.648
  236    HA   PHE  37           HA       PHE  37  -4.923  -3.079   1.853
  237   1HB   PHE  37          2HB       PHE  37  -2.726  -2.338   2.537
  238    HD1  PHE  37           1HD      PHE  37  -1.503  -0.417   2.752
  239    HD2  PHE  37           2HD      PHE  37  -2.827  -1.591  -1.117
  240    HE1  PHE  37           1HE      PHE  37  -0.340   1.517   1.772
  241    HE2  PHE  37           2HE      PHE  37  -1.663   0.338  -2.106
  242    HZ   PHE  37           HZ       PHE  37  -0.397   1.886  -0.654
  243    H    HIS  38           H        HIS  38  -4.372  -1.428   3.701
  244    HA   HIS  38           HA       HIS  38  -5.604   1.168   3.064
  245   1HB   HIS  38          2HB       HIS  38  -7.285  -0.333   4.095
  246    HD1  HIS  38           1HD      HIS  38  -6.552   1.131   7.333
  247    HD2  HIS  38           2HD      HIS  38  -8.190   2.443   3.745
  248    HE1  HIS  38           1HE      HIS  38  -7.773   3.258   7.889
  249    HE2  HIS  38           2HE      HIS  38  -8.837   3.982   5.722
  250    H    VAL  39           H        VAL  39  -4.520   2.871   3.821
  251    HA   VAL  39           HA       VAL  39  -2.030   2.571   5.120
  252    HB   VAL  39           HB       VAL  39  -3.692   5.075   4.820
  253   1HG1  VAL  39          1HG1      VAL  39  -1.559   6.257   5.074
  254   2HG1  VAL  39          2HG1      VAL  39  -1.962   5.316   6.511
  255   3HG1  VAL  39          3HG1      VAL  39  -0.750   4.719   5.376
  256   1HG2  VAL  39          1HG2      VAL  39  -1.522   3.950   3.051
  257   2HG2  VAL  39          2HG2      VAL  39  -3.240   4.020   2.668
  258   3HG2  VAL  39          3HG2      VAL  39  -2.315   5.511   2.843
  259    H    VAL  40           H        VAL  40  -1.401   2.862   7.215
  260    HA   VAL  40           HA       VAL  40  -3.552   2.893   9.205
  261    HB   VAL  40           HB       VAL  40  -0.636   2.172   9.533
  262   1HG1  VAL  40          1HG1      VAL  40  -1.333   1.275  11.717
  263   2HG1  VAL  40          2HG1      VAL  40  -1.582   3.019  11.603
  264   3HG1  VAL  40          3HG1      VAL  40  -2.953   1.919  11.450
  265   1HG2  VAL  40          1HG2      VAL  40  -1.863   0.587   8.126
  266   2HG2  VAL  40          2HG2      VAL  40  -1.419  -0.132   9.675
  267   3HG2  VAL  40          3HG2      VAL  40  -3.075   0.404   9.393
  268    H    ARG  41           H        ARG  41  -0.637   4.615   8.250
  269    HA   ARG  41           HA       ARG  41  -1.459   7.062   9.317
  270   1HB   ARG  41          2HB       ARG  41   0.146   7.272  11.211
  271   1HG   ARG  41          2HG       ARG  41   0.345   4.273  11.039
  272   1HD   ARG  41          2HD       ARG  41   1.892   4.490  12.887
  273    HE   ARG  41           HE       ARG  41  -0.815   5.017  13.215
  274   1HH1  ARG  41          2HH1      ARG  41   2.170   5.580  14.918
  275   2HH1  ARG  41          1HH1      ARG  41   1.433   5.558  16.484
  276   1HH2  ARG  41          2HH2      ARG  41  -1.796   4.984  15.272
  277   2HH2  ARG  41          1HH2      ARG  41  -0.823   5.215  16.687
  278    H    VAL  42           H        VAL  42  -0.191   8.708   8.591
  279    HA   VAL  42           HA       VAL  42   2.519   8.146   7.672
  280    HB   VAL  42           HB       VAL  42   0.502   9.387   5.802
  281   1HG1  VAL  42          1HG1      VAL  42   3.356   8.484   5.456
  282   2HG1  VAL  42          2HG1      VAL  42   2.298   8.972   4.131
  283   3HG1  VAL  42          3HG1      VAL  42   2.740  10.137   5.379
  284   1HG2  VAL  42          1HG2      VAL  42   0.498   7.316   4.564
  285   2HG2  VAL  42          2HG2      VAL  42   1.636   6.597   5.701
  286   3HG2  VAL  42          3HG2      VAL  42   0.003   6.999   6.226
  287    H    ALA  43           H        ALA  43   3.705  10.113   7.094
  288    HA   ALA  43           HA       ALA  43   2.578  12.515   8.372
  289   1HB   ALA  43          1HB       ALA  43   5.452  11.605   8.463
  290   2HB   ALA  43          2HB       ALA  43   4.804  13.074   9.192
  291   3HB   ALA  43          3HB       ALA  43   4.294  11.495   9.789
  292    HA   PRO  44           HA       PRO  44   3.194  14.432   4.399
  293   1HB   PRO  44          2HB       PRO  44   3.486  16.914   6.001
  294   1HG   PRO  44          2HG       PRO  44   1.506  16.658   7.187
  295   1HD   PRO  44          2HD       PRO  44   2.840  15.105   8.259
  296    H    LEU  45           H        LEU  45   5.370  14.759   7.088
  297    HA   LEU  45           HA       LEU  45   7.435  16.022   5.473
  298   1HB   LEU  45          2HB       LEU  45   7.382  15.134   8.355
  299    HG   LEU  45           HG       LEU  45   7.464  17.919   7.185
  300   1HD1  LEU  45          1HD1      LEU  45   5.288  18.128   8.437
  301   2HD1  LEU  45          2HD1      LEU  45   5.247  17.114   6.995
  302   3HD1  LEU  45          3HD1      LEU  45   5.304  16.371   8.593
  303   1HD2  LEU  45          1HD2      LEU  45   7.339  18.654   9.518
  304   2HD2  LEU  45          2HD2      LEU  45   7.468  16.977  10.050
  305   3HD2  LEU  45          3HD2      LEU  45   8.813  17.738   9.200
  306    H    GLY  46           H        GLY  46   7.427  13.159   7.608
  307   1HA   GLY  46          1HA       GLY  46   8.203  11.258   5.756
  308   2HA   GLY  46          2HA       GLY  46   9.691  12.008   6.318
  309    H    ASP  47           H        ASP  47   7.322   9.678   6.948
  310    HA   ASP  47           HA       ASP  47   8.685   8.916   9.399
  311   1HB   ASP  47          2HB       ASP  47   5.765   9.643   9.257
  312    HA   PRO  48           HA       PRO  48   7.677   4.849   8.015
  313   1HB   PRO  48          2HB       PRO  48   7.229   3.703  10.594
  314   1HG   PRO  48          2HG       PRO  48   8.316   5.070  12.052
  315   1HD   PRO  48          2HD       PRO  48   6.927   6.765  11.315
  316    H    VAL  49           H        VAL  49   5.867   4.269   7.041
  317    HA   VAL  49           HA       VAL  49   3.326   4.440   8.507
  318    HB   VAL  49           HB       VAL  49   3.191   5.804   6.586
  319   1HG1  VAL  49          1HG1      VAL  49   5.163   5.083   5.426
  320   2HG1  VAL  49          2HG1      VAL  49   4.423   3.526   5.047
  321   3HG1  VAL  49          3HG1      VAL  49   3.790   5.003   4.320
  322   1HG2  VAL  49          1HG2      VAL  49   1.526   4.709   5.147
  323   2HG2  VAL  49          2HG2      VAL  49   1.947   3.150   5.854
  324   3HG2  VAL  49          3HG2      VAL  49   1.216   4.404   6.854
  325    H    HIS  50           H        HIS  50   1.854   2.743   8.432
  326    HA   HIS  50           HA       HIS  50   3.016   0.137   7.701
  327   1HB   HIS  50          2HB       HIS  50   0.944   0.765   9.816
  328    HD1  HIS  50           1HD      HIS  50   3.516  -1.568  10.800
  329    HD2  HIS  50           2HD      HIS  50   3.080   2.566  10.803
  330    HE1  HIS  50           1HE      HIS  50   5.251  -0.709  12.406
  331    HE2  HIS  50           2HE      HIS  50   4.928   1.789  12.438
  332    H    ILE  51           H        ILE  51   1.908  -1.196   6.373
  333    HA   ILE  51           HA       ILE  51  -0.560  -0.137   5.201
  334    HB   ILE  51           HB       ILE  51  -0.187  -1.748   3.387
  335   1HG1  ILE  51          2HG1      ILE  51   2.394  -2.419   4.816
  336   1HG2  ILE  51          1HG2      ILE  51   1.811  -0.697   2.434
  337   2HG2  ILE  51          2HG2      ILE  51   0.754   0.485   3.205
  338   3HG2  ILE  51          3HG2      ILE  51   2.222  -0.051   4.022
  339   1HD1  ILE  51          1HD1      ILE  51   2.568  -2.590   2.386
  340   2HD1  ILE  51          2HD1      ILE  51   2.646  -4.170   3.168
  341   3HD1  ILE  51          3HD1      ILE  51   1.161  -3.654   2.369
  342    H    GLU  52           H        GLU  52  -2.433  -1.347   5.027
  343    HA   GLU  52           HA       GLU  52  -2.581  -3.665   6.833
  344   1HB   GLU  52          2HB       GLU  52  -3.943  -1.698   7.472
  345   1HG   GLU  52          2HG       GLU  52  -5.623  -4.027   6.578
  346    H    THR  53           H        THR  53  -2.263  -5.410   5.553
  347    HA   THR  53           HA       THR  53  -3.794  -5.603   3.052
  348    HB   THR  53           HB       THR  53  -2.293  -7.402   2.404
  349    HG1  THR  53           1HG      THR  53  -0.668  -8.105   3.772
  350   1HG2  THR  53          1HG2      THR  53  -0.202  -6.147   2.236
  351   2HG2  THR  53          2HG2      THR  53  -0.760  -5.038   3.490
  352   3HG2  THR  53          3HG2      THR  53  -1.590  -5.101   1.934
  353    H    ARG  54           H        ARG  54  -4.023  -8.234   2.642
  354    HA   ARG  54           HA       ARG  54  -6.276  -9.003   4.020
  355   1HB   ARG  54          2HB       ARG  54  -4.214 -10.752   2.672
  356   1HG   ARG  54          2HG       ARG  54  -5.244  -9.158   1.142
  357   1HD   ARG  54          2HD       ARG  54  -7.835 -10.395   2.065
  358    HE   ARG  54           HE       ARG  54  -7.389  -9.447  -0.439
  359   1HH1  ARG  54          2HH1      ARG  54  -9.297  -8.351   2.261
  360   2HH1  ARG  54          1HH1      ARG  54 -10.506  -7.606   1.271
  361   1HH2  ARG  54          2HH2      ARG  54  -8.975  -8.470  -1.753
  362   2HH2  ARG  54          1HH2      ARG  54 -10.324  -7.673  -1.013
  363    H    ARG  55           H        ARG  55  -6.241  -8.927   6.216
  364    HA   ARG  55           HA       ARG  55  -5.756  -9.462   8.366
  365   1HB   ARG  55          2HB       ARG  55  -5.200 -12.141   7.080
  366   1HG   ARG  55          2HG       ARG  55  -7.745 -11.074   8.289
  367   1HD   ARG  55          2HD       ARG  55  -8.704 -13.190   7.442
  368    HE   ARG  55           HE       ARG  55  -7.115 -13.004   9.731
  369   1HH1  ARG  55          2HH1      ARG  55  -8.421 -15.435   7.608
  370   2HH1  ARG  55          1HH1      ARG  55  -8.503 -16.651   8.838
  371   1HH2  ARG  55          2HH2      ARG  55  -7.220 -14.595  11.361
  372   2HH2  ARG  55          1HH2      ARG  55  -7.820 -16.174  10.974
  373    H    VAL  56           H        VAL  56  -3.514  -8.415   6.794
  374    HA   VAL  56           HA       VAL  56  -1.387  -9.252   8.600
  375    HB   VAL  56           HB       VAL  56  -1.040  -9.313   5.597
  376   1HG1  VAL  56          1HG1      VAL  56   0.933  -8.390   6.679
  377   2HG1  VAL  56          2HG1      VAL  56   0.979  -9.753   7.797
  378   3HG1  VAL  56          3HG1      VAL  56   1.265 -10.014   6.076
  379   1HG2  VAL  56          1HG2      VAL  56  -0.589 -11.676   5.884
  380   2HG2  VAL  56          2HG2      VAL  56  -0.813 -11.532   7.626
  381   3HG2  VAL  56          3HG2      VAL  56  -2.178 -11.287   6.539
  382    H    SER  57           H        SER  57  -0.775  -7.405   9.505
  383    HA   SER  57           HA       SER  57  -0.792  -4.946   7.909
  384   1HB   SER  57          2HB       SER  57  -2.012  -4.840  10.025
  385    HG   SER  57           HG       SER  57   0.205  -3.385  10.763
  386    H    LEU  58           H        LEU  58   1.076  -4.623   6.875
  387    HA   LEU  58           HA       LEU  58   3.584  -5.338   8.215
  388   1HB   LEU  58          2HB       LEU  58   3.037  -4.631   5.332
  389    HG   LEU  58           HG       LEU  58   2.194  -6.856   5.778
  390   1HD1  LEU  58          1HD1      LEU  58   3.363  -6.509   3.672
  391   2HD1  LEU  58          2HD1      LEU  58   4.893  -6.941   4.437
  392   3HD1  LEU  58          3HD1      LEU  58   3.619  -8.150   4.268
  393   1HD2  LEU  58          1HD2      LEU  58   4.903  -7.378   6.994
  394   2HD2  LEU  58          2HD2      LEU  58   3.356  -7.338   7.839
  395   3HD2  LEU  58          3HD2      LEU  58   3.686  -8.611   6.664
  396    H    VAL  59           H        VAL  59   5.420  -3.865   8.004
  397    HA   VAL  59           HA       VAL  59   4.553  -1.064   8.238
  398    HB   VAL  59           HB       VAL  59   5.568  -1.944  10.272
  399   1HG1  VAL  59          1HG1      VAL  59   7.965  -2.510   8.531
  400   2HG1  VAL  59          2HG1      VAL  59   7.948  -2.605  10.292
  401   3HG1  VAL  59          3HG1      VAL  59   6.943  -3.698   9.341
  402   1HG2  VAL  59          1HG2      VAL  59   7.325  -0.258  10.575
  403   2HG2  VAL  59          2HG2      VAL  59   7.371   0.001   8.831
  404   3HG2  VAL  59          3HG2      VAL  59   5.918   0.407   9.745
  405    H    LEU  60           H        LEU  60   5.452   0.499   6.994
  406    HA   LEU  60           HA       LEU  60   7.654  -0.271   5.202
  407   1HB   LEU  60          2HB       LEU  60   5.190   1.293   4.436
  408    HG   LEU  60           HG       LEU  60   4.724  -1.114   4.451
  409   1HD1  LEU  60          1HD1      LEU  60   5.064   0.026   1.681
  410   2HD1  LEU  60          2HD1      LEU  60   4.021  -1.326   2.122
  411   3HD1  LEU  60          3HD1      LEU  60   3.686   0.288   2.749
  412   1HD2  LEU  60          1HD2      LEU  60   7.065  -1.304   2.557
  413   2HD2  LEU  60          2HD2      LEU  60   7.006  -1.935   4.203
  414   3HD2  LEU  60          3HD2      LEU  60   5.955  -2.613   2.960
  415    H    ARG  61           H        ARG  61   8.803   1.590   4.267
  416    HA   ARG  61           HA       ARG  61   8.646   4.001   5.942
  417   1HB   ARG  61          2HB       ARG  61  11.187   2.586   5.112
  418   1HG   ARG  61          2HG       ARG  61   9.968   2.949   7.840
  419   1HD   ARG  61          2HD       ARG  61  11.921   1.711   8.647
  420    HE   ARG  61           HE       ARG  61  12.083   4.372   7.763
  421   1HH1  ARG  61          2HH1      ARG  61  14.142   1.739   8.749
  422   2HH1  ARG  61          1HH1      ARG  61  15.400   2.773   9.339
  423   1HH2  ARG  61          2HH2      ARG  61  13.735   5.741   8.534
  424   2HH2  ARG  61          1HH2      ARG  61  15.168   5.049   9.214
  425    H    LYS  62           H        LYS  62   9.233   5.936   4.933
  426    HA   LYS  62           HA       LYS  62   8.497   6.316   2.325
  427   1HB   LYS  62          2HB       LYS  62   8.965   8.054   4.148
  428   1HG   LYS  62          2HG       LYS  62   9.275   9.848   2.648
  429   1HD   LYS  62          2HD       LYS  62   7.720   9.408   0.901
  430   1HE   LYS  62          2HE       LYS  62   7.057   7.470   3.113
  431   1HZ   LYS  62          1HZ       LYS  62   5.300   9.110   1.366
  432   2HZ   LYS  62          2HZ       LYS  62   4.787   8.068   2.597
  433   3HZ   LYS  62          3HZ       LYS  62   5.541   7.442   1.218
  434    H    LYS  63           H        LYS  63  11.533   5.153   3.523
  435    HA   LYS  63           HA       LYS  63  13.023   5.629   1.126
  436   1HB   LYS  63          2HB       LYS  63  14.727   4.186   2.173
  437   1HG   LYS  63          2HG       LYS  63  12.774   3.868   4.442
  438   1HD   LYS  63          2HD       LYS  63  15.137   4.046   5.114
  439   1HE   LYS  63          2HE       LYS  63  15.488   1.647   3.321
  440   1HZ   LYS  63          1HZ       LYS  63  17.450   2.968   5.117
  441   2HZ   LYS  63          2HZ       LYS  63  17.774   1.686   4.061
  442   3HZ   LYS  63          3HZ       LYS  63  16.747   1.453   5.386
  443    H    ASP  64           H        ASP  64  11.103   3.007   2.427
  444    HA   ASP  64           HA       ASP  64  11.923   1.108   0.431
  445   1HB   ASP  64          2HB       ASP  64   9.657   1.062   2.434
  446    H    LEU  65           H        LEU  65   9.256   3.349   0.884
  447    HA   LEU  65           HA       LEU  65   7.619   2.335  -1.198
  448   1HB   LEU  65          2HB       LEU  65   7.739   5.013   0.167
  449    HG   LEU  65           HG       LEU  65   5.793   2.718   0.343
  450   1HD1  LEU  65          1HD1      LEU  65   6.259   2.892   2.738
  451   2HD1  LEU  65          2HD1      LEU  65   7.723   2.566   1.811
  452   3HD1  LEU  65          3HD1      LEU  65   7.407   4.192   2.416
  453   1HD2  LEU  65          1HD2      LEU  65   4.396   4.151   1.732
  454   2HD2  LEU  65          2HD2      LEU  65   5.467   5.515   1.418
  455   3HD2  LEU  65          3HD2      LEU  65   4.539   4.802   0.098
  456    H    ALA  66           H        ALA  66  10.463   4.263  -1.192
  457    HA   ALA  66           HA       ALA  66  10.074   5.656  -3.624
  458   1HB   ALA  66          1HB       ALA  66  12.473   6.064  -3.561
  459   2HB   ALA  66          2HB       ALA  66  11.758   6.312  -1.969
  460   3HB   ALA  66          3HB       ALA  66  12.664   4.837  -2.307
  461    H    LEU  67           H        LEU  67  11.110   2.415  -2.864
  462    HA   LEU  67           HA       LEU  67  12.066   1.920  -5.561
  463   1HB   LEU  67          2HB       LEU  67  11.782   0.082  -3.183
  464    HG   LEU  67           HG       LEU  67  13.584   1.669  -2.803
  465   1HD1  LEU  67          1HD1      LEU  67  15.457   0.100  -2.624
  466   2HD1  LEU  67          2HD1      LEU  67  13.943  -0.627  -2.090
  467   3HD1  LEU  67          3HD1      LEU  67  14.603  -1.032  -3.674
  468   1HD2  LEU  67          1HD2      LEU  67  13.952   2.365  -5.109
  469   2HD2  LEU  67          2HD2      LEU  67  15.462   1.845  -4.360
  470   3HD2  LEU  67          3HD2      LEU  67  14.625   0.781  -5.490
  471    H    ILE  68           H        ILE  68   9.555   0.515  -3.444
  472    HA   ILE  68           HA       ILE  68   8.312  -0.981  -5.490
  473    HB   ILE  68           HB       ILE  68   6.393  -1.165  -3.942
  474   1HG1  ILE  68          2HG1      ILE  68   8.012   0.740  -2.236
  475   1HG2  ILE  68          1HG2      ILE  68   7.593  -2.322  -2.142
  476   2HG2  ILE  68          2HG2      ILE  68   8.275  -2.690  -3.726
  477   3HG2  ILE  68          3HG2      ILE  68   9.093  -1.551  -2.656
  478   1HD1  ILE  68          1HD1      ILE  68   6.964  -0.961  -0.843
  479   2HD1  ILE  68          2HD1      ILE  68   6.206   0.616  -0.623
  480   3HD1  ILE  68          3HD1      ILE  68   5.406  -0.618  -1.597
  481    H    GLU  69           H        GLU  69   5.986  -0.629  -6.154
  482    HA   GLU  69           HA       GLU  69   5.590   2.216  -6.817
  483   1HB   GLU  69          2HB       GLU  69   6.047   0.370  -8.643
  484   1HG   GLU  69          2HG       GLU  69   3.832   2.390  -8.913
  485    H    LEU  70           H        LEU  70   3.439   3.011  -6.907
  486    HA   LEU  70           HA       LEU  70   1.445   1.380  -5.489
  487   1HB   LEU  70          2HB       LEU  70   2.553   3.120  -4.035
  488    HG   LEU  70           HG       LEU  70  -0.419   3.411  -4.483
  489   1HD1  LEU  70          1HD1      LEU  70   1.111   1.925  -2.355
  490   2HD1  LEU  70          2HD1      LEU  70  -0.636   1.953  -2.583
  491   3HD1  LEU  70          3HD1      LEU  70   0.398   1.179  -3.783
  492   1HD2  LEU  70          1HD2      LEU  70   0.424   5.415  -3.413
  493   2HD2  LEU  70          2HD2      LEU  70  -0.468   4.434  -2.249
  494   3HD2  LEU  70          3HD2      LEU  70   1.296   4.442  -2.227
  495    H    GLU  71           H        GLU  71  -0.781   2.033  -5.875
  496    HA   GLU  71           HA       GLU  71  -1.241   3.754  -8.182
  497   1HB   GLU  71          2HB       GLU  71  -0.921   1.567  -9.193
  498   1HG   GLU  71          2HG       GLU  71  -3.855   2.228  -9.070
  499    H    ALA  72           H        ALA  72  -3.333   4.588  -8.307
  500    HA   ALA  72           HA       ALA  72  -4.686   4.921  -5.866
  501   1HB   ALA  72          1HB       ALA  72  -6.419   6.052  -7.204
  502   2HB   ALA  72          2HB       ALA  72  -4.791   6.599  -7.611
  503   3HB   ALA  72          3HB       ALA  72  -5.637   5.474  -8.675
  504    H    VAL  73           H        VAL  73  -7.115   4.509  -5.669
  505    HA   VAL  73           HA       VAL  73  -7.535   1.655  -6.032
  506    HB   VAL  73           HB       VAL  73  -9.459   1.923  -4.556
  507   1HG1  VAL  73          1HG1      VAL  73  -7.266   1.623  -3.541
  508   2HG1  VAL  73          2HG1      VAL  73  -7.012   3.368  -3.543
  509   3HG1  VAL  73          3HG1      VAL  73  -8.278   2.661  -2.538
  510   1HG2  VAL  73          1HG2      VAL  73 -10.195   4.124  -5.343
  511   2HG2  VAL  73          2HG2      VAL  73 -10.031   4.083  -3.587
  512   3HG2  VAL  73          3HG2      VAL  73  -8.793   4.866  -4.571
  513    H    ALA  74           H        ALA  74 -10.026   1.132  -6.387
  514    HA   ALA  74           HA       ALA  74 -10.716   2.382  -8.950
  515   1HB   ALA  74          1HB       ALA  74 -11.644  -0.237  -7.775
  516   2HB   ALA  74          2HB       ALA  74 -12.047   0.379  -9.378
  517   3HB   ALA  74          3HB       ALA  74 -10.378  -0.039  -8.986
  518    H    GLN  75           H        GLN  75 -12.581   3.465  -9.253
  519    HA   GLN  75           HA       GLN  75 -14.146   4.159  -6.939
  520   1HB   GLN  75          2HB       GLN  75 -13.615   5.869  -8.582
  521   1HG   GLN  75          2HG       GLN  75 -16.533   5.186  -8.499
  522   1HE2  GLN  75          1HE2      GLN  75 -17.041   8.015  -8.082
  523   2HE2  GLN  75          2HE2      GLN  75 -16.974   8.755  -9.642
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -0.422  10.300  -5.064
    2   2H    MET   1          2H        MET   1  -0.589  11.547  -6.194
    3   3H    MET   1          3H        MET   1  -1.232  11.724  -4.640
    4    HA   MET   1           HA       MET   1   1.642  11.500  -5.314
    5   1HB   MET   1          2HB       MET   1   0.018  13.858  -4.339
    6   1HG   MET   1          2HG       MET   1   1.447  13.461  -6.957
    7   1HE   MET   1          1HE       MET   1   0.444  16.830  -8.636
    8   2HE   MET   1          2HE       MET   1   1.251  15.275  -8.834
    9   3HE   MET   1          3HE       MET   1  -0.503  15.342  -8.660
   10    H    GLN   2           H        GLN   2  -0.594  12.533  -2.730
   11    HA   GLN   2           HA       GLN   2   1.199  11.205  -0.804
   12   1HB   GLN   2          2HB       GLN   2   0.443  12.901   0.853
   13   1HG   GLN   2          2HG       GLN   2  -0.825  14.192  -1.541
   14   1HE2  GLN   2          1HE2      GLN   2  -1.368  14.864   1.822
   15   2HE2  GLN   2          2HE2      GLN   2  -0.780  16.487   1.804
   16    H    PHE   3           H        PHE   3   0.316   9.814   0.627
   17    HA   PHE   3           HA       PHE   3  -2.604   9.452   0.500
   18   1HB   PHE   3          2HB       PHE   3  -2.123   7.081   1.184
   19    HD1  PHE   3           1HD      PHE   3  -0.673   6.319   2.869
   20    HD2  PHE   3           2HD      PHE   3   0.916   8.039  -0.684
   21    HE1  PHE   3           1HE      PHE   3   1.582   5.574   3.521
   22    HE2  PHE   3           2HE      PHE   3   3.171   7.297  -0.041
   23    HZ   PHE   3           HZ       PHE   3   3.506   6.063   2.065
   24    H    THR   4           H        THR   4  -3.770   9.290   2.361
   25    HA   THR   4           HA       THR   4  -2.289   9.657   4.885
   26    HB   THR   4           HB       THR   4  -4.311  10.920   5.696
   27    HG1  THR   4           1HG      THR   4  -5.905  10.480   4.273
   28   1HG2  THR   4          1HG2      THR   4  -2.263  12.074   5.008
   29   2HG2  THR   4          2HG2      THR   4  -3.695  13.012   4.588
   30   3HG2  THR   4          3HG2      THR   4  -2.838  12.106   3.341
   31    HA   PRO   5           HA       PRO   5  -4.395   6.161   6.530
   32   1HB   PRO   5          2HB       PRO   5  -4.822   6.903   9.112
   33   1HG   PRO   5          2HG       PRO   5  -4.395   9.180   8.913
   34   1HD   PRO   5          2HD       PRO   5  -3.272  10.060   7.095
   35    H    ASP   6           H        ASP   6  -6.306   6.416   5.236
   36    HA   ASP   6           HA       ASP   6  -8.689   6.437   6.664
   37   1HB   ASP   6          2HB       ASP   6  -8.372   8.834   6.944
   38    H    SER   7           H        SER   7  -7.121   7.100   3.586
   39    HA   SER   7           HA       SER   7  -9.390   5.933   2.146
   40   1HB   SER   7          2HB       SER   7  -8.571   8.056   1.273
   41    HG   SER   7           HG       SER   7  -9.161   7.028  -0.484
   42    H    ALA   8           H        ALA   8  -8.711   4.552   0.199
   43    HA   ALA   8           HA       ALA   8  -6.847   2.509   1.182
   44   1HB   ALA   8          1HB       ALA   8  -9.156   1.794   0.726
   45   2HB   ALA   8          2HB       ALA   8  -8.960   2.280  -0.958
   46   3HB   ALA   8          3HB       ALA   8  -7.985   0.965  -0.300
   47    H    TRP   9           H        TRP   9  -5.609   1.319  -0.523
   48    HA   TRP   9           HA       TRP   9  -5.002   2.775  -2.946
   49   1HB   TRP   9          2HB       TRP   9  -2.829   2.345  -0.887
   50    HD1  TRP   9           HD       TRP   9  -4.152   3.779   0.997
   51    HE1  TRP   9           1HE      TRP   9  -4.457   6.319   1.264
   52    HE3  TRP   9           3HE      TRP   9  -2.920   5.248  -3.743
   53    HZ2  TRP   9           2HZ      TRP   9  -4.210   8.639  -0.325
   54    HZ3  TRP   9           3HZ      TRP   9  -2.980   7.647  -4.287
   55    HH2  TRP   9           HH       TRP   9  -3.613   9.307  -2.612
   56    H    LYS  10           H        LYS  10  -3.386   1.592  -4.288
   57    HA   LYS  10           HA       LYS  10  -3.477  -1.292  -3.695
   58   1HB   LYS  10          2HB       LYS  10  -4.947  -0.690  -5.561
   59   1HG   LYS  10          2HG       LYS  10  -2.501  -2.079  -6.631
   60   1HD   LYS  10          2HD       LYS  10  -4.215  -1.486  -8.303
   61   1HE   LYS  10          2HE       LYS  10  -6.012  -3.190  -6.584
   62   1HZ   LYS  10          1HZ       LYS  10  -6.556  -1.894  -9.199
   63   2HZ   LYS  10          2HZ       LYS  10  -7.682  -2.732  -8.256
   64   3HZ   LYS  10          3HZ       LYS  10  -6.379  -3.558  -8.948
   65    H    ILE  11           H        ILE  11  -1.600  -2.311  -3.558
   66    HA   ILE  11           HA       ILE  11   0.863  -0.905  -3.914
   67    HB   ILE  11           HB       ILE  11   0.341  -3.819  -3.304
   68   1HG1  ILE  11          2HG1      ILE  11   1.021  -1.458  -1.543
   69   1HG2  ILE  11          1HG2      ILE  11   2.693  -3.870  -2.544
   70   2HG2  ILE  11          2HG2      ILE  11   2.534  -3.596  -4.280
   71   3HG2  ILE  11          3HG2      ILE  11   2.914  -2.249  -3.205
   72   1HD1  ILE  11          1HD1      ILE  11   0.727  -4.347  -0.763
   73   2HD1  ILE  11          2HD1      ILE  11   2.216  -3.403  -0.720
   74   3HD1  ILE  11          3HD1      ILE  11   0.877  -2.984   0.346
   75    H    THR  12           H        THR  12   2.438  -1.183  -5.431
   76    HA   THR  12           HA       THR  12   2.000  -3.062  -7.629
   77    HB   THR  12           HB       THR  12   2.637  -0.154  -8.157
   78    HG1  THR  12           1HG      THR  12   0.496  -0.270  -7.458
   79   1HG2  THR  12          1HG2      THR  12   1.842  -2.423  -9.988
   80   2HG2  THR  12          2HG2      THR  12   3.452  -1.716  -9.853
   81   3HG2  THR  12          3HG2      THR  12   2.115  -0.754 -10.483
   82    H    GLY  13           H        GLY  13   3.800  -3.554  -5.753
   83   1HA   GLY  13          1HA       GLY  13   6.303  -2.414  -5.796
   84   2HA   GLY  13          2HA       GLY  13   6.008  -4.117  -5.489
   85    H    PHE  14           H        PHE  14   7.038  -1.752  -7.784
   86    HA   PHE  14           HA       PHE  14   8.191  -3.866  -9.417
   87   1HB   PHE  14          2HB       PHE  14   5.984  -3.381 -10.444
   88    HD1  PHE  14           1HD      PHE  14   6.708  -5.048 -11.953
   89    HD2  PHE  14           2HD      PHE  14   8.310  -1.113 -12.182
   90    HE1  PHE  14           1HE      PHE  14   7.723  -5.591 -14.128
   91    HE2  PHE  14           2HE      PHE  14   9.328  -1.649 -14.358
   92    HZ   PHE  14           HZ       PHE  14   9.032  -3.890 -15.333
   93    H    SER  15           H        SER  15  10.227  -3.220  -8.829
   94    HA   SER  15           HA       SER  15  10.990  -0.442  -9.404
   95   1HB   SER  15          2HB       SER  15  12.514  -2.539  -7.840
   96    HG   SER  15           HG       SER  15  10.602  -1.857  -6.771
   97    H    ARG  16           H        ARG  16  13.594  -0.547  -9.874
   98    HA   ARG  16           HA       ARG  16  13.725  -1.786 -12.490
   99   1HB   ARG  16          2HB       ARG  16  15.636   0.043 -11.030
  100   1HG   ARG  16          2HG       ARG  16  15.011   1.698 -12.714
  101   1HD   ARG  16          2HD       ARG  16  12.498   0.674 -11.421
  102    HE   ARG  16           HE       ARG  16  13.227   3.191 -12.545
  103   1HH1  ARG  16          2HH1      ARG  16  11.356   1.665 -10.038
  104   2HH1  ARG  16          1HH1      ARG  16  10.214   2.962  -9.922
  105   1HH2  ARG  16          2HH2      ARG  16  11.730   4.904 -12.404
  106   2HH2  ARG  16          1HH2      ARG  16  10.426   4.803 -11.267
  107    H    ASP  17           H        ASP  17  14.903  -2.362  -9.295
  108    HA   ASP  17           HA       ASP  17  16.183  -4.802 -10.208
  109   1HB   ASP  17          2HB       ASP  17  18.252  -4.284  -8.859
  110    H    ILE  18           H        ILE  18  13.832  -4.151  -8.599
  111    HA   ILE  18           HA       ILE  18  14.100  -4.324  -5.887
  112    HB   ILE  18           HB       ILE  18  11.919  -4.124  -6.900
  113   1HG1  ILE  18          2HG1      ILE  18  12.157  -6.675  -5.289
  114   1HG2  ILE  18          1HG2      ILE  18  12.409  -5.614  -8.834
  115   2HG2  ILE  18          2HG2      ILE  18  12.142  -6.996  -7.773
  116   3HG2  ILE  18          3HG2      ILE  18  10.826  -5.870  -8.101
  117   1HD1  ILE  18          1HD1      ILE  18   9.890  -6.262  -4.546
  118   2HD1  ILE  18          2HD1      ILE  18   9.769  -4.881  -5.636
  119   3HD1  ILE  18          3HD1      ILE  18   9.942  -6.508  -6.292
  120    H    SER  19           H        SER  19  15.480  -5.587  -4.816
  121    HA   SER  19           HA       SER  19  16.349  -8.134  -5.687
  122   1HB   SER  19          2HB       SER  19  16.512  -6.858  -2.945
  123    HG   SER  19           HG       SER  19  18.826  -7.008  -4.269
  124    HA   PRO  20           HA       PRO  20  13.280 -10.951  -4.262
  125   1HB   PRO  20          2HB       PRO  20  14.805 -12.890  -3.047
  126   1HG   PRO  20          2HG       PRO  20  16.850 -11.795  -3.091
  127   1HD   PRO  20          2HD       PRO  20  17.235  -9.952  -4.450
  128    H    ALA  21           H        ALA  21  15.702  -9.865  -1.959
  129    HA   ALA  21           HA       ALA  21  14.670 -10.792   0.424
  130   1HB   ALA  21          1HB       ALA  21  15.748  -8.894   1.497
  131   2HB   ALA  21          2HB       ALA  21  16.783  -9.555   0.232
  132   3HB   ALA  21          3HB       ALA  21  15.879  -8.068  -0.056
  133    H    TYR  22           H        TYR  22  13.750  -7.885  -1.379
  134    HA   TYR  22           HA       TYR  22  11.624  -7.274   0.492
  135   1HB   TYR  22          2HB       TYR  22  12.392  -5.962  -2.124
  136    HD1  TYR  22           1HD      TYR  22  14.649  -5.389  -1.882
  137    HD2  TYR  22           2HD      TYR  22  11.973  -4.745   1.363
  138    HE1  TYR  22           1HE      TYR  22  16.409  -4.161  -0.682
  139    HE2  TYR  22           2HE      TYR  22  13.727  -3.514   2.571
  140    HH   TYR  22           HH       TYR  22  16.213  -3.398   2.594
  141    H    ARG  23           H        ARG  23  11.975  -8.484  -2.810
  142    HA   ARG  23           HA       ARG  23   9.225  -8.523  -3.455
  143   1HB   ARG  23          2HB       ARG  23  10.939  -8.653  -5.178
  144   1HG   ARG  23          2HG       ARG  23  10.194 -10.604  -6.485
  145   1HD   ARG  23          2HD       ARG  23   7.939  -9.183  -5.078
  146    HE   ARG  23           HE       ARG  23   7.643 -11.092  -6.958
  147   1HH1  ARG  23          2HH1      ARG  23   7.199  -7.638  -6.996
  148   2HH1  ARG  23          1HH1      ARG  23   5.942  -7.684  -8.186
  149   1HH2  ARG  23          2HH2      ARG  23   5.989 -11.162  -8.526
  150   2HH2  ARG  23          1HH2      ARG  23   5.255  -9.686  -9.059
  151    H    GLN  24           H        GLN  24  11.365 -11.267  -2.641
  152    HA   GLN  24           HA       GLN  24   9.453 -13.228  -2.408
  153   1HB   GLN  24          2HB       GLN  24  11.850 -13.688  -2.293
  154   1HG   GLN  24          2HG       GLN  24  10.450 -14.586   0.216
  155   1HE2  GLN  24          1HE2      GLN  24  12.242 -16.511  -2.044
  156   2HE2  GLN  24          2HE2      GLN  24  13.539 -16.924  -0.979
  157    H    LYS  25           H        LYS  25  10.407 -10.812  -0.025
  158    HA   LYS  25           HA       LYS  25   9.112 -11.762   2.224
  159   1HB   LYS  25          2HB       LYS  25  10.601  -9.659   1.866
  160   1HG   LYS  25          2HG       LYS  25   8.252  -9.414   3.732
  161   1HD   LYS  25          2HD       LYS  25  10.934  -8.099   3.539
  162   1HE   LYS  25          2HE       LYS  25  10.877  -9.141   5.747
  163   1HZ   LYS  25          1HZ       LYS  25   8.346  -7.633   6.119
  164   2HZ   LYS  25          2HZ       LYS  25   9.184  -8.455   7.337
  165   3HZ   LYS  25          3HZ       LYS  25   8.497  -9.318   6.056
  166    H    LEU  26           H        LEU  26   7.804  -9.374  -0.086
  167    HA   LEU  26           HA       LEU  26   5.208  -9.326   0.944
  168   1HB   LEU  26          2HB       LEU  26   6.050  -8.881  -1.922
  169    HG   LEU  26           HG       LEU  26   7.328  -7.351  -0.560
  170   1HD1  LEU  26          1HD1      LEU  26   6.462  -5.221  -1.380
  171   2HD1  LEU  26          2HD1      LEU  26   6.373  -6.470  -2.621
  172   3HD1  LEU  26          3HD1      LEU  26   4.917  -5.987  -1.751
  173   1HD2  LEU  26          1HD2      LEU  26   4.698  -6.615   0.722
  174   2HD2  LEU  26          2HD2      LEU  26   6.019  -7.496   1.490
  175   3HD2  LEU  26          3HD2      LEU  26   6.244  -5.815   1.007
  176    H    LEU  27           H        LEU  27   6.614 -11.311  -1.638
  177    HA   LEU  27           HA       LEU  27   4.344 -12.606  -2.514
  178   1HB   LEU  27          2HB       LEU  27   7.133 -13.718  -2.216
  179    HG   LEU  27           HG       LEU  27   7.084 -11.778  -3.721
  180   1HD1  LEU  27          1HD1      LEU  27   8.592 -13.626  -4.215
  181   2HD1  LEU  27          2HD1      LEU  27   7.331 -14.414  -5.163
  182   3HD1  LEU  27          3HD1      LEU  27   8.006 -12.876  -5.699
  183   1HD2  LEU  27          1HD2      LEU  27   5.761 -11.862  -5.781
  184   2HD2  LEU  27          2HD2      LEU  27   5.000 -13.355  -5.228
  185   3HD2  LEU  27          3HD2      LEU  27   4.734 -11.850  -4.348
  186    H    SER  28           H        SER  28   6.159 -13.060   0.418
  187    HA   SER  28           HA       SER  28   5.145 -15.604   1.129
  188   1HB   SER  28          2HB       SER  28   7.165 -14.622   2.162
  189    HG   SER  28           HG       SER  28   5.000 -15.374   3.796
  190    H    LEU  29           H        LEU  29   4.036 -12.311   1.721
  191    HA   LEU  29           HA       LEU  29   1.806 -13.230   3.337
  192   1HB   LEU  29          2HB       LEU  29   2.446 -10.456   2.330
  193    HG   LEU  29           HG       LEU  29   4.224 -11.168   3.843
  194   1HD1  LEU  29          1HD1      LEU  29   4.005  -9.408   5.501
  195   2HD1  LEU  29          2HD1      LEU  29   3.425  -8.851   3.932
  196   3HD1  LEU  29          3HD1      LEU  29   2.274  -9.304   5.190
  197   1HD2  LEU  29          1HD2      LEU  29   1.981 -11.778   5.765
  198   2HD2  LEU  29          2HD2      LEU  29   3.068 -12.947   5.014
  199   3HD2  LEU  29          3HD2      LEU  29   3.699 -11.772   6.167
  200    H    GLY  30           H        GLY  30   2.471 -12.387   0.047
  201   1HA   GLY  30          1HA       GLY  30   0.993 -13.150  -1.686
  202   2HA   GLY  30          2HA       GLY  30  -0.358 -12.886  -0.595
  203    H    MET  31           H        MET  31   1.994 -10.402  -0.592
  204    HA   MET  31           HA       MET  31   0.113  -8.625  -1.917
  205   1HB   MET  31          2HB       MET  31   2.700  -8.010  -0.480
  206   1HG   MET  31          2HG       MET  31   1.094  -8.867   1.097
  207   1HE   MET  31          1HE       MET  31  -0.520  -5.338   0.487
  208   2HE   MET  31          2HE       MET  31  -0.388  -5.997  -1.142
  209   3HE   MET  31          3HE       MET  31  -1.975  -5.769  -0.410
  210    H    LEU  32           H        LEU  32   0.336  -9.171  -4.079
  211    HA   LEU  32           HA       LEU  32   2.973  -8.687  -5.292
  212   1HB   LEU  32          2HB       LEU  32   0.589 -10.285  -6.199
  213    HG   LEU  32           HG       LEU  32   3.493 -11.081  -5.938
  214   1HD1  LEU  32          1HD1      LEU  32   2.588 -12.602  -4.162
  215   2HD1  LEU  32          2HD1      LEU  32   2.591 -10.888  -3.750
  216   3HD1  LEU  32          3HD1      LEU  32   1.088 -11.675  -4.230
  217   1HD2  LEU  32          1HD2      LEU  32   2.310 -12.202  -7.777
  218   2HD2  LEU  32          2HD2      LEU  32   2.719 -13.316  -6.471
  219   3HD2  LEU  32          3HD2      LEU  32   1.065 -12.727  -6.642
  220    HA   PRO  33           HA       PRO  33   1.984  -5.009  -7.493
  221   1HB   PRO  33          2HB       PRO  33   1.990  -6.654  -9.998
  222   1HG   PRO  33          2HG       PRO  33   4.178  -7.361  -9.658
  223   1HD   PRO  33          2HD       PRO  33   3.234  -8.688  -8.055
  224    H    GLY  34           H        GLY  34  -0.055  -4.398  -7.061
  225   1HA   GLY  34          1HA       GLY  34  -2.192  -3.897  -8.074
  226   2HA   GLY  34          2HA       GLY  34  -2.195  -5.521  -8.750
  227    H    SER  35           H        SER  35  -1.334  -4.662  -5.447
  228    HA   SER  35           HA       SER  35  -3.606  -6.295  -4.522
  229   1HB   SER  35          2HB       SER  35  -1.042  -5.594  -3.068
  230    HG   SER  35           HG       SER  35  -1.411  -8.202  -3.517
  231    H    SER  36           H        SER  36  -5.120  -5.462  -3.188
  232    HA   SER  36           HA       SER  36  -5.041  -2.591  -2.718
  233   1HB   SER  36          2HB       SER  36  -7.252  -4.611  -2.268
  234    HG   SER  36           HG       SER  36  -6.590  -2.875  -4.381
  235    H    PHE  37           H        PHE  37  -5.294  -1.622  -0.692
  236    HA   PHE  37           HA       PHE  37  -5.443  -3.167   1.716
  237   1HB   PHE  37          2HB       PHE  37  -3.253  -2.647   2.610
  238    HD1  PHE  37           1HD      PHE  37  -2.136  -0.664   2.980
  239    HD2  PHE  37           2HD      PHE  37  -2.725  -2.001  -1.018
  240    HE1  PHE  37           1HE      PHE  37  -0.717   1.171   2.160
  241    HE2  PHE  37           2HE      PHE  37  -1.307  -0.169  -1.844
  242    HZ   PHE  37           HZ       PHE  37  -0.293   1.412  -0.259
  243    H    HIS  38           H        HIS  38  -4.787  -1.584   3.647
  244    HA   HIS  38           HA       HIS  38  -5.885   1.075   3.018
  245   1HB   HIS  38          2HB       HIS  38  -6.484  -0.652   5.428
  246    HD1  HIS  38           1HD      HIS  38  -7.765  -2.417   4.060
  247    HD2  HIS  38           2HD      HIS  38  -9.117   1.469   3.485
  248    HE1  HIS  38           1HE      HIS  38  -9.957  -2.641   2.851
  249    HE2  HIS  38           2HE      HIS  38 -10.778  -0.277   2.545
  250    H    VAL  39           H        VAL  39  -5.185   2.804   4.377
  251    HA   VAL  39           HA       VAL  39  -2.470   2.395   5.361
  252    HB   VAL  39           HB       VAL  39  -4.006   4.974   5.008
  253   1HG1  VAL  39          1HG1      VAL  39  -1.070   4.477   5.496
  254   2HG1  VAL  39          2HG1      VAL  39  -1.817   6.047   5.201
  255   3HG1  VAL  39          3HG1      VAL  39  -2.216   5.140   6.660
  256   1HG2  VAL  39          1HG2      VAL  39  -2.676   5.277   2.984
  257   2HG2  VAL  39          2HG2      VAL  39  -1.923   3.702   3.232
  258   3HG2  VAL  39          3HG2      VAL  39  -3.648   3.809   2.885
  259    H    VAL  40           H        VAL  40  -1.810   2.761   7.442
  260    HA   VAL  40           HA       VAL  40  -3.955   2.963   9.436
  261    HB   VAL  40           HB       VAL  40  -1.099   2.038   9.785
  262   1HG1  VAL  40          1HG1      VAL  40  -1.841   1.270  11.992
  263   2HG1  VAL  40          2HG1      VAL  40  -2.000   3.018  11.824
  264   3HG1  VAL  40          3HG1      VAL  40  -3.426   1.987  11.704
  265   1HG2  VAL  40          1HG2      VAL  40  -3.668   0.457   9.675
  266   2HG2  VAL  40          2HG2      VAL  40  -2.425   0.498   8.425
  267   3HG2  VAL  40          3HG2      VAL  40  -2.063  -0.198  10.003
  268    H    ARG  41           H        ARG  41  -0.748   4.285   8.667
  269    HA   ARG  41           HA       ARG  41  -1.399   6.886   9.506
  270   1HB   ARG  41          2HB       ARG  41   0.016   7.037  11.533
  271   1HG   ARG  41          2HG       ARG  41   0.047   4.027  11.425
  272   1HD   ARG  41          2HD       ARG  41  -0.266   4.858  13.689
  273    HE   ARG  41           HE       ARG  41   1.531   6.912  12.970
  274   1HH1  ARG  41          2HH1      ARG  41   0.695   4.839  15.641
  275   2HH1  ARG  41          1HH1      ARG  41   1.214   5.968  16.848
  276   1HH2  ARG  41          2HH2      ARG  41   2.217   8.407  14.550
  277   2HH2  ARG  41          1HH2      ARG  41   2.080   7.999  16.226
  278    H    VAL  42           H        VAL  42  -0.214   8.011   8.121
  279    HA   VAL  42           HA       VAL  42   2.637   7.365   7.851
  280    HB   VAL  42           HB       VAL  42   1.450   6.404   5.906
  281   1HG1  VAL  42          1HG1      VAL  42  -0.413   7.983   5.813
  282   2HG1  VAL  42          2HG1      VAL  42   0.692   9.261   5.309
  283   3HG1  VAL  42          3HG1      VAL  42   0.413   7.873   4.259
  284   1HG2  VAL  42          1HG2      VAL  42   3.156   8.786   5.184
  285   2HG2  VAL  42          2HG2      VAL  42   3.771   7.221   5.720
  286   3HG2  VAL  42          3HG2      VAL  42   2.884   7.347   4.202
  287    H    ALA  43           H        ALA  43   3.929   9.135   7.009
  288    HA   ALA  43           HA       ALA  43   2.789  11.739   7.765
  289   1HB   ALA  43          1HB       ALA  43   5.082  12.462   8.173
  290   2HB   ALA  43          2HB       ALA  43   4.700  11.017   9.107
  291   3HB   ALA  43          3HB       ALA  43   5.680  10.888   7.648
  292    HA   PRO  44           HA       PRO  44   3.108  13.140   3.590
  293   1HB   PRO  44          2HB       PRO  44   3.392  15.808   3.988
  294   1HG   PRO  44          2HG       PRO  44   3.913  15.810   6.248
  295   1HD   PRO  44          2HD       PRO  44   3.559  13.966   7.579
  296    H    LEU  45           H        LEU  45   5.662  13.613   5.858
  297    HA   LEU  45           HA       LEU  45   7.480  14.653   3.825
  298   1HB   LEU  45          2HB       LEU  45   7.535  15.675   6.043
  299    HG   LEU  45           HG       LEU  45  10.053  14.061   5.612
  300   1HD1  LEU  45          1HD1      LEU  45   9.288  16.794   4.600
  301   2HD1  LEU  45          2HD1      LEU  45  10.862  16.021   4.407
  302   3HD1  LEU  45          3HD1      LEU  45   9.440  15.330   3.625
  303   1HD2  LEU  45          1HD2      LEU  45  11.133  15.899   6.840
  304   2HD2  LEU  45          2HD2      LEU  45   9.545  16.599   7.157
  305   3HD2  LEU  45          3HD2      LEU  45   9.964  15.025   7.832
  306    H    GLY  46           H        GLY  46   7.962  12.207   6.367
  307   1HA   GLY  46          1HA       GLY  46   8.393  10.032   4.629
  308   2HA   GLY  46          2HA       GLY  46   9.939  10.790   4.978
  309    H    ASP  47           H        ASP  47   7.286   8.945   6.264
  310    HA   ASP  47           HA       ASP  47   8.957   8.222   8.560
  311   1HB   ASP  47          2HB       ASP  47   6.082   9.139   8.673
  312    HA   PRO  48           HA       PRO  48   7.450   4.148   7.767
  313   1HB   PRO  48          2HB       PRO  48   7.276   3.300  10.484
  314   1HG   PRO  48          2HG       PRO  48   8.621   4.716  11.647
  315   1HD   PRO  48          2HD       PRO  48   7.293   6.452  10.896
  316    H    VAL  49           H        VAL  49   5.487   3.686   7.083
  317    HA   VAL  49           HA       VAL  49   3.190   4.125   8.872
  318    HB   VAL  49           HB       VAL  49   2.945   5.461   6.919
  319   1HG1  VAL  49          1HG1      VAL  49   3.075   4.521   4.640
  320   2HG1  VAL  49          2HG1      VAL  49   4.606   4.428   5.513
  321   3HG1  VAL  49          3HG1      VAL  49   3.605   2.987   5.330
  322   1HG2  VAL  49          1HG2      VAL  49   0.896   4.323   7.592
  323   2HG2  VAL  49          2HG2      VAL  49   0.945   4.534   5.842
  324   3HG2  VAL  49          3HG2      VAL  49   1.297   2.958   6.549
  325    H    HIS  50           H        HIS  50   1.500   2.557   8.879
  326    HA   HIS  50           HA       HIS  50   2.453  -0.154   8.245
  327   1HB   HIS  50          2HB       HIS  50   0.444   0.771  10.309
  328    HD1  HIS  50           1HD      HIS  50   2.401   2.253  11.338
  329    HD2  HIS  50           2HD      HIS  50   3.084  -1.844  11.266
  330    HE1  HIS  50           1HE      HIS  50   4.317   1.864  12.919
  331    HE2  HIS  50           2HE      HIS  50   4.692  -0.628  12.886
  332    H    ILE  51           H        ILE  51   1.313  -1.425   6.899
  333    HA   ILE  51           HA       ILE  51  -1.155  -0.301   5.762
  334    HB   ILE  51           HB       ILE  51  -0.773  -1.764   3.840
  335   1HG1  ILE  51          2HG1      ILE  51   1.801  -2.548   5.222
  336   1HG2  ILE  51          1HG2      ILE  51   1.213  -0.654   2.946
  337   2HG2  ILE  51          2HG2      ILE  51   0.183   0.477   3.822
  338   3HG2  ILE  51          3HG2      ILE  51   1.657  -0.135   4.571
  339   1HD1  ILE  51          1HD1      ILE  51   0.589  -3.590   2.678
  340   2HD1  ILE  51          2HD1      ILE  51   1.993  -2.530   2.787
  341   3HD1  ILE  51          3HD1      ILE  51   2.068  -4.162   3.450
  342    H    GLU  52           H        GLU  52  -3.018  -1.513   5.599
  343    HA   GLU  52           HA       GLU  52  -3.055  -3.996   7.183
  344   1HB   GLU  52          2HB       GLU  52  -4.390  -2.221   8.179
  345   1HG   GLU  52          2HG       GLU  52  -6.234  -4.199   6.860
  346    H    THR  53           H        THR  53  -3.060  -5.719   5.893
  347    HA   THR  53           HA       THR  53  -4.616  -5.597   3.395
  348    HB   THR  53           HB       THR  53  -3.202  -7.313   2.486
  349    HG1  THR  53           1HG      THR  53  -2.528  -8.675   3.988
  350   1HG2  THR  53          1HG2      THR  53  -1.599  -5.173   3.887
  351   2HG2  THR  53          2HG2      THR  53  -2.297  -5.093   2.268
  352   3HG2  THR  53          3HG2      THR  53  -0.972  -6.207   2.604
  353    H    ARG  54           H        ARG  54  -4.898  -8.200   2.780
  354    HA   ARG  54           HA       ARG  54  -7.154  -9.007   4.131
  355   1HB   ARG  54          2HB       ARG  54  -6.517  -9.881   1.939
  356   1HG   ARG  54          2HG       ARG  54  -6.985 -12.261   2.220
  357   1HD   ARG  54          2HD       ARG  54  -8.611 -10.620   4.155
  358    HE   ARG  54           HE       ARG  54  -8.999 -13.236   3.159
  359   1HH1  ARG  54          2HH1      ARG  54 -10.716 -10.271   3.784
  360   2HH1  ARG  54          1HH1      ARG  54 -12.238 -11.055   4.036
  361   1HH2  ARG  54          2HH2      ARG  54 -11.000 -14.279   3.489
  362   2HH2  ARG  54          1HH2      ARG  54 -12.399 -13.334   3.873
  363    H    ARG  55           H        ARG  55  -7.028  -9.026   6.336
  364    HA   ARG  55           HA       ARG  55  -6.579  -9.774   8.427
  365   1HB   ARG  55          2HB       ARG  55  -5.875 -12.350   7.014
  366   1HG   ARG  55          2HG       ARG  55  -8.571 -11.393   7.960
  367   1HD   ARG  55          2HD       ARG  55  -8.247 -13.765   8.407
  368    HE   ARG  55           HE       ARG  55  -6.772 -13.882   6.080
  369   1HH1  ARG  55          2HH1      ARG  55  -9.443 -15.616   7.491
  370   2HH1  ARG  55          1HH1      ARG  55  -9.044 -17.116   6.723
  371   1HH2  ARG  55          2HH2      ARG  55  -6.235 -15.856   5.065
  372   2HH2  ARG  55          1HH2      ARG  55  -7.219 -17.254   5.348
  373    H    VAL  56           H        VAL  56  -4.316  -8.672   6.770
  374    HA   VAL  56           HA       VAL  56  -2.201  -9.513   8.594
  375    HB   VAL  56           HB       VAL  56  -1.804  -9.519   5.598
  376   1HG1  VAL  56          1HG1      VAL  56   0.123 -10.135   7.838
  377   2HG1  VAL  56          2HG1      VAL  56   0.456 -10.304   6.113
  378   3HG1  VAL  56          3HG1      VAL  56   0.158  -8.708   6.803
  379   1HG2  VAL  56          1HG2      VAL  56  -1.811 -11.790   7.586
  380   2HG2  VAL  56          2HG2      VAL  56  -3.031 -11.482   6.351
  381   3HG2  VAL  56          3HG2      VAL  56  -1.390 -11.924   5.879
  382    H    SER  57           H        SER  57  -1.502  -7.713   9.496
  383    HA   SER  57           HA       SER  57  -1.522  -5.221   7.949
  384   1HB   SER  57          2HB       SER  57  -2.715  -5.175  10.099
  385    HG   SER  57           HG       SER  57  -0.319  -3.715  10.433
  386    H    LEU  58           H        LEU  58   0.344  -4.889   6.903
  387    HA   LEU  58           HA       LEU  58   2.854  -5.704   8.177
  388   1HB   LEU  58          2HB       LEU  58   2.400  -6.467   5.870
  389    HG   LEU  58           HG       LEU  58   4.709  -4.521   6.004
  390   1HD1  LEU  58          1HD1      LEU  58   4.566  -7.482   6.553
  391   2HD1  LEU  58          2HD1      LEU  58   6.040  -6.513   6.514
  392   3HD1  LEU  58          3HD1      LEU  58   4.816  -6.208   7.746
  393   1HD2  LEU  58          1HD2      LEU  58   4.173  -5.064   3.706
  394   2HD2  LEU  58          2HD2      LEU  58   5.656  -5.887   4.189
  395   3HD2  LEU  58          3HD2      LEU  58   4.141  -6.785   4.094
  396    H    VAL  59           H        VAL  59   4.730  -4.252   7.950
  397    HA   VAL  59           HA       VAL  59   3.928  -1.429   8.238
  398    HB   VAL  59           HB       VAL  59   4.707  -2.390  10.353
  399   1HG1  VAL  59          1HG1      VAL  59   6.156  -4.133   9.444
  400   2HG1  VAL  59          2HG1      VAL  59   7.298  -2.903   8.900
  401   3HG1  VAL  59          3HG1      VAL  59   7.011  -3.139  10.624
  402   1HG2  VAL  59          1HG2      VAL  59   6.650  -0.432   9.136
  403   2HG2  VAL  59          2HG2      VAL  59   5.131  -0.037   9.939
  404   3HG2  VAL  59          3HG2      VAL  59   6.458  -0.742  10.861
  405    H    LEU  60           H        LEU  60   4.788  -0.037   6.829
  406    HA   LEU  60           HA       LEU  60   7.193  -0.875   5.342
  407   1HB   LEU  60          2HB       LEU  60   4.919   0.852   4.361
  408    HG   LEU  60           HG       LEU  60   4.256  -1.520   4.408
  409   1HD1  LEU  60          1HD1      LEU  60   3.426  -0.076   2.635
  410   2HD1  LEU  60          2HD1      LEU  60   4.838  -0.456   1.650
  411   3HD1  LEU  60          3HD1      LEU  60   3.673  -1.718   2.043
  412   1HD2  LEU  60          1HD2      LEU  60   6.458  -2.541   4.304
  413   2HD2  LEU  60          2HD2      LEU  60   5.444  -3.133   2.988
  414   3HD2  LEU  60          3HD2      LEU  60   6.685  -1.923   2.667
  415    H    ARG  61           H        ARG  61   8.424   0.994   4.402
  416    HA   ARG  61           HA       ARG  61   8.265   3.417   6.032
  417   1HB   ARG  61          2HB       ARG  61   9.895   1.904   7.116
  418   1HG   ARG  61          2HG       ARG  61  11.350   4.170   5.782
  419   1HD   ARG  61          2HD       ARG  61  11.660   2.861   8.480
  420    HE   ARG  61           HE       ARG  61  12.643   5.364   7.555
  421   1HH1  ARG  61          2HH1      ARG  61  13.515   2.548   9.409
  422   2HH1  ARG  61          1HH1      ARG  61  14.668   3.391  10.389
  423   1HH2  ARG  61          2HH2      ARG  61  14.157   6.484   8.840
  424   2HH2  ARG  61          1HH2      ARG  61  15.031   5.630  10.067
  425    H    LYS  62           H        LYS  62   9.358   5.238   5.115
  426    HA   LYS  62           HA       LYS  62   8.870   5.706   2.473
  427   1HB   LYS  62          2HB       LYS  62   9.535   7.349   4.317
  428   1HG   LYS  62          2HG       LYS  62  10.220   9.047   2.839
  429   1HD   LYS  62          2HD       LYS  62   8.725   8.860   1.004
  430   1HE   LYS  62          2HE       LYS  62   7.651   7.074   3.185
  431   1HZ   LYS  62          1HZ       LYS  62   6.243   7.141   1.231
  432   2HZ   LYS  62          2HZ       LYS  62   6.253   8.834   1.241
  433   3HZ   LYS  62          3HZ       LYS  62   5.515   7.984   2.505
  434    H    LYS  63           H        LYS  63  11.616   4.044   3.818
  435    HA   LYS  63           HA       LYS  63  13.204   4.237   1.424
  436   1HB   LYS  63          2HB       LYS  63  14.724   2.674   2.548
  437   1HG   LYS  63          2HG       LYS  63  12.869   2.689   4.908
  438   1HD   LYS  63          2HD       LYS  63  14.310   0.945   5.732
  439   1HE   LYS  63          2HE       LYS  63  16.449   2.134   5.928
  440   1HZ   LYS  63          1HZ       LYS  63  14.659   2.915   7.303
  441   2HZ   LYS  63          2HZ       LYS  63  14.067   3.904   6.063
  442   3HZ   LYS  63          3HZ       LYS  63  15.564   4.243   6.775
  443    H    ASP  64           H        ASP  64  10.861   2.033   2.753
  444    HA   ASP  64           HA       ASP  64  11.486  -0.089   0.899
  445   1HB   ASP  64          2HB       ASP  64  10.610  -0.573   3.162
  446    H    LEU  65           H        LEU  65   9.190   2.548   1.143
  447    HA   LEU  65           HA       LEU  65   7.546   1.637  -1.027
  448   1HB   LEU  65          2HB       LEU  65   7.744   4.288   0.396
  449    HG   LEU  65           HG       LEU  65   5.722   2.061   0.533
  450   1HD1  LEU  65          1HD1      LEU  65   7.326   3.528   2.617
  451   2HD1  LEU  65          2HD1      LEU  65   6.102   2.305   2.951
  452   3HD1  LEU  65          3HD1      LEU  65   7.569   1.867   2.075
  453   1HD2  LEU  65          1HD2      LEU  65   4.354   3.591   1.904
  454   2HD2  LEU  65          2HD2      LEU  65   5.432   4.915   1.462
  455   3HD2  LEU  65          3HD2      LEU  65   4.476   4.104   0.221
  456    H    ALA  66           H        ALA  66  10.443   3.495  -0.722
  457    HA   ALA  66           HA       ALA  66  10.366   5.021  -3.056
  458   1HB   ALA  66          1HB       ALA  66  12.787   3.767  -1.767
  459   2HB   ALA  66          2HB       ALA  66  12.785   5.132  -2.883
  460   3HB   ALA  66          3HB       ALA  66  12.049   5.295  -1.291
  461    H    LEU  67           H        LEU  67  10.876   1.620  -2.604
  462    HA   LEU  67           HA       LEU  67  11.895   1.259  -5.310
  463   1HB   LEU  67          2HB       LEU  67  11.282  -0.778  -3.167
  464    HG   LEU  67           HG       LEU  67  13.199   0.700  -2.560
  465   1HD1  LEU  67          1HD1      LEU  67  13.110  -1.590  -1.761
  466   2HD1  LEU  67          2HD1      LEU  67  13.880  -2.156  -3.244
  467   3HD1  LEU  67          3HD1      LEU  67  14.774  -1.129  -2.124
  468   1HD2  LEU  67          1HD2      LEU  67  13.940   1.229  -4.833
  469   2HD2  LEU  67          2HD2      LEU  67  15.252   0.557  -3.864
  470   3HD2  LEU  67          3HD2      LEU  67  14.434  -0.449  -5.061
  471    H    ILE  68           H        ILE  68   9.234  -0.160  -3.393
  472    HA   ILE  68           HA       ILE  68   7.865  -1.198  -5.635
  473    HB   ILE  68           HB       ILE  68   5.927  -1.435  -4.102
  474   1HG1  ILE  68          2HG1      ILE  68   7.758  -0.057  -2.126
  475   1HG2  ILE  68          1HG2      ILE  68   8.582  -2.341  -3.003
  476   2HG2  ILE  68          2HG2      ILE  68   7.012  -3.007  -2.554
  477   3HG2  ILE  68          3HG2      ILE  68   7.602  -3.178  -4.208
  478   1HD1  ILE  68          1HD1      ILE  68   6.513  -1.850  -1.038
  479   2HD1  ILE  68          2HD1      ILE  68   5.954  -0.258  -0.523
  480   3HD1  ILE  68          3HD1      ILE  68   5.009  -1.192  -1.683
  481    H    GLU  69           H        GLU  69   5.917  -0.499  -6.615
  482    HA   GLU  69           HA       GLU  69   5.629   2.421  -6.614
  483   1HB   GLU  69          2HB       GLU  69   6.107   1.126  -8.752
  484   1HG   GLU  69          2HG       GLU  69   4.536   2.371 -10.142
  485    H    LEU  70           H        LEU  70   3.628   3.417  -6.386
  486    HA   LEU  70           HA       LEU  70   1.518   1.704  -5.248
  487   1HB   LEU  70          2HB       LEU  70   2.568   3.354  -3.701
  488    HG   LEU  70           HG       LEU  70  -0.342   3.877  -4.312
  489   1HD1  LEU  70          1HD1      LEU  70   0.161   1.572  -3.689
  490   2HD1  LEU  70          2HD1      LEU  70   0.991   2.140  -2.240
  491   3HD1  LEU  70          3HD1      LEU  70  -0.746   2.393  -2.418
  492   1HD2  LEU  70          1HD2      LEU  70   0.612   5.758  -3.099
  493   2HD2  LEU  70          2HD2      LEU  70  -0.460   4.823  -2.056
  494   3HD2  LEU  70          3HD2      LEU  70   1.288   4.657  -1.899
  495    H    GLU  71           H        GLU  71  -0.710   2.421  -5.620
  496    HA   GLU  71           HA       GLU  71  -1.116   4.151  -7.930
  497   1HB   GLU  71          2HB       GLU  71  -0.823   1.933  -8.911
  498   1HG   GLU  71          2HG       GLU  71  -2.938   1.640 -10.070
  499    H    ALA  72           H        ALA  72  -3.151   5.075  -8.043
  500    HA   ALA  72           HA       ALA  72  -4.591   5.203  -5.577
  501   1HB   ALA  72          1HB       ALA  72  -5.302   6.376  -8.264
  502   2HB   ALA  72          2HB       ALA  72  -6.007   6.820  -6.711
  503   3HB   ALA  72          3HB       ALA  72  -4.307   7.159  -7.035
  504    H    VAL  73           H        VAL  73  -6.977   4.944  -5.477
  505    HA   VAL  73           HA       VAL  73  -7.787   2.511  -6.925
  506    HB   VAL  73           HB       VAL  73  -9.332   2.073  -5.078
  507   1HG1  VAL  73          1HG1      VAL  73  -7.095   1.125  -4.979
  508   2HG1  VAL  73          2HG1      VAL  73  -6.501   2.575  -4.171
  509   3HG1  VAL  73          3HG1      VAL  73  -7.669   1.529  -3.361
  510   1HG2  VAL  73          1HG2      VAL  73  -9.228   3.416  -3.026
  511   2HG2  VAL  73          2HG2      VAL  73  -8.127   4.538  -3.823
  512   3HG2  VAL  73          3HG2      VAL  73  -9.785   4.367  -4.404
  513    H    ALA  74           H        ALA  74 -10.117   2.290  -7.372
  514    HA   ALA  74           HA       ALA  74 -11.242   4.869  -8.217
  515   1HB   ALA  74          1HB       ALA  74 -12.549   3.595  -9.834
  516   2HB   ALA  74          2HB       ALA  74 -10.827   3.250 -10.004
  517   3HB   ALA  74          3HB       ALA  74 -11.884   2.090  -9.199
  518    H    GLN  75           H        GLN  75 -13.808   4.534  -8.481
  519    HA   GLN  75           HA       GLN  75 -14.819   3.455  -5.937
  520   1HB   GLN  75          2HB       GLN  75 -16.414   5.393  -5.892
  521   1HG   GLN  75          2HG       GLN  75 -14.588   6.484  -8.008
  522   1HE2  GLN  75          1HE2      GLN  75 -17.788   7.540  -7.202
  523   2HE2  GLN  75          2HE2      GLN  75 -17.349   9.105  -6.618
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -4.832  15.729  -3.218
    2   2H    MET   1          2H        MET   1  -3.313  15.405  -3.886
    3   3H    MET   1          3H        MET   1  -3.470  15.624  -2.217
    4    HA   MET   1           HA       MET   1  -4.800  13.641  -2.031
    5   1HB   MET   1          2HB       MET   1  -4.896  12.133  -4.050
    6   1HG   MET   1          2HG       MET   1  -4.202  14.656  -5.535
    7   1HE   MET   1          1HE       MET   1  -5.301  10.560  -7.351
    8   2HE   MET   1          2HE       MET   1  -3.757  10.897  -6.569
    9   3HE   MET   1          3HE       MET   1  -5.239  10.865  -5.615
   10    H    GLN   2           H        GLN   2  -3.273  12.858  -0.712
   11    HA   GLN   2           HA       GLN   2  -0.992  11.502  -1.951
   12   1HB   GLN   2          2HB       GLN   2   0.495  12.304  -0.154
   13   1HG   GLN   2          2HG       GLN   2  -1.283  12.893   1.482
   14   1HE2  GLN   2          1HE2      GLN   2  -0.621  16.032   0.152
   15   2HE2  GLN   2          2HE2      GLN   2  -2.265  16.507  -0.078
   16    H    PHE   3           H        PHE   3   0.146  10.086  -0.242
   17    HA   PHE   3           HA       PHE   3  -1.686   8.201   0.714
   18   1HB   PHE   3          2HB       PHE   3   1.153   8.613   1.674
   19    HD1  PHE   3           1HD      PHE   3  -0.145   5.711  -0.113
   20    HD2  PHE   3           2HD      PHE   3   2.104   9.310  -0.439
   21    HE1  PHE   3           1HE      PHE   3   0.726   4.966  -2.290
   22    HE2  PHE   3           2HE      PHE   3   2.978   8.571  -2.616
   23    HZ   PHE   3           HZ       PHE   3   2.288   6.398  -3.546
   24    H    THR   4           H        THR   4  -3.224   8.895   2.116
   25    HA   THR   4           HA       THR   4  -2.280   9.990   4.684
   26    HB   THR   4           HB       THR   4  -4.523  11.092   4.883
   27    HG1  THR   4           1HG      THR   4  -5.952  10.707   3.381
   28   1HG2  THR   4          1HG2      THR   4  -3.982  12.958   3.378
   29   2HG2  THR   4          2HG2      THR   4  -2.812  11.936   2.543
   30   3HG2  THR   4          3HG2      THR   4  -2.554  12.373   4.232
   31    HA   PRO   5           HA       PRO   5  -4.320   6.588   6.618
   32   1HB   PRO   5          2HB       PRO   5  -4.866   7.591   9.054
   33   1HG   PRO   5          2HG       PRO   5  -4.708   9.865   8.582
   34   1HD   PRO   5          2HD       PRO   5  -3.664  10.634   6.682
   35    H    ASP   6           H        ASP   6  -6.169   6.704   5.143
   36    HA   ASP   6           HA       ASP   6  -8.622   6.706   6.451
   37   1HB   ASP   6          2HB       ASP   6  -8.398   9.136   6.579
   38    H    SER   7           H        SER   7  -7.018   7.396   3.376
   39    HA   SER   7           HA       SER   7  -9.110   5.930   1.946
   40   1HB   SER   7          2HB       SER   7  -6.794   7.570   0.886
   41    HG   SER   7           HG       SER   7  -9.571   8.117   1.093
   42    H    ALA   8           H        ALA   8  -8.354   4.456   0.176
   43    HA   ALA   8           HA       ALA   8  -6.174   2.771   1.199
   44   1HB   ALA   8          1HB       ALA   8  -8.360   1.694   1.090
   45   2HB   ALA   8          2HB       ALA   8  -8.457   2.048  -0.634
   46   3HB   ALA   8          3HB       ALA   8  -7.226   0.940  -0.030
   47    H    TRP   9           H        TRP   9  -4.847   1.634  -0.409
   48    HA   TRP   9           HA       TRP   9  -4.634   2.994  -2.994
   49   1HB   TRP   9          2HB       TRP   9  -2.293   2.586  -1.122
   50    HD1  TRP   9           HD       TRP   9  -3.549   4.133   0.758
   51    HE1  TRP   9           1HE      TRP   9  -3.757   6.692   0.921
   52    HE3  TRP   9           3HE      TRP   9  -2.411   5.351  -4.075
   53    HZ2  TRP   9           2HZ      TRP   9  -3.473   8.934  -0.773
   54    HZ3  TRP   9           3HZ      TRP   9  -2.401   7.725  -4.722
   55    HH2  TRP   9           HH       TRP   9  -2.922   9.477  -3.105
   56    H    LYS  10           H        LYS  10  -3.119   1.830  -4.479
   57    HA   LYS  10           HA       LYS  10  -3.409  -1.059  -4.058
   58   1HB   LYS  10          2HB       LYS  10  -4.539  -0.210  -6.039
   59   1HG   LYS  10          2HG       LYS  10  -2.049  -1.686  -6.862
   60   1HD   LYS  10          2HD       LYS  10  -3.315  -0.735  -8.742
   61   1HE   LYS  10          2HE       LYS  10  -5.597  -2.369  -7.636
   62   1HZ   LYS  10          1HZ       LYS  10  -5.440  -0.725 -10.104
   63   2HZ   LYS  10          2HZ       LYS  10  -6.827  -1.491  -9.514
   64   3HZ   LYS  10          3HZ       LYS  10  -5.516  -2.414 -10.051
   65    H    ILE  11           H        ILE  11  -1.695  -2.424  -4.138
   66    HA   ILE  11           HA       ILE  11   0.944  -1.219  -3.992
   67    HB   ILE  11           HB       ILE  11   0.101  -4.098  -3.616
   68   1HG1  ILE  11          2HG1      ILE  11   0.713  -1.917  -1.610
   69   1HG2  ILE  11          1HG2      ILE  11   2.309  -4.402  -2.603
   70   2HG2  ILE  11          2HG2      ILE  11   2.433  -3.908  -4.290
   71   3HG2  ILE  11          3HG2      ILE  11   2.722  -2.734  -3.005
   72   1HD1  ILE  11          1HD1      ILE  11   0.209  -3.499   0.125
   73   2HD1  ILE  11          2HD1      ILE  11  -0.058  -4.771  -1.064
   74   3HD1  ILE  11          3HD1      ILE  11   1.556  -4.098  -0.843
   75    H    THR  12           H        THR  12   2.473  -1.354  -5.527
   76    HA   THR  12           HA       THR  12   2.158  -3.268  -7.716
   77    HB   THR  12           HB       THR  12   2.691  -0.346  -8.261
   78    HG1  THR  12           1HG      THR  12   0.510  -0.357  -9.059
   79   1HG2  THR  12          1HG2      THR  12   2.222  -0.987 -10.588
   80   2HG2  THR  12          2HG2      THR  12   2.010  -2.661 -10.079
   81   3HG2  THR  12          3HG2      THR  12   3.588  -1.888  -9.933
   82    H    GLY  13           H        GLY  13   3.952  -3.684  -5.809
   83   1HA   GLY  13          1HA       GLY  13   6.407  -2.501  -5.757
   84   2HA   GLY  13          2HA       GLY  13   6.184  -4.236  -5.607
   85    H    PHE  14           H        PHE  14   7.104  -1.626  -7.689
   86    HA   PHE  14           HA       PHE  14   8.323  -3.551  -9.519
   87   1HB   PHE  14          2HB       PHE  14   6.220  -3.017 -10.600
   88    HD1  PHE  14           1HD      PHE  14   7.221  -4.224 -12.386
   89    HD2  PHE  14           2HD      PHE  14   8.230  -0.147 -11.707
   90    HE1  PHE  14           1HE      PHE  14   8.320  -4.136 -14.584
   91    HE2  PHE  14           2HE      PHE  14   9.332  -0.051 -13.905
   92    HZ   PHE  14           HZ       PHE  14   9.378  -2.047 -15.347
   93    H    SER  15           H        SER  15  10.395  -3.037  -9.062
   94    HA   SER  15           HA       SER  15  11.173  -0.204  -9.234
   95   1HB   SER  15          2HB       SER  15  12.654  -2.486  -7.906
   96    HG   SER  15           HG       SER  15  11.038  -2.046  -6.542
   97    H    ARG  16           H        ARG  16  13.749  -0.231  -9.765
   98    HA   ARG  16           HA       ARG  16  13.869  -1.021 -12.513
   99   1HB   ARG  16          2HB       ARG  16  15.859   0.261 -10.648
  100   1HG   ARG  16          2HG       ARG  16  15.624   2.201 -12.080
  101   1HD   ARG  16          2HD       ARG  16  12.897   1.188 -11.294
  102    HE   ARG  16           HE       ARG  16  13.715   3.715 -12.230
  103   1HH1  ARG  16          2HH1      ARG  16  11.800   2.241  -9.724
  104   2HH1  ARG  16          1HH1      ARG  16  10.741   3.600  -9.553
  105   1HH2  ARG  16          2HH2      ARG  16  12.327   5.511 -12.016
  106   2HH2  ARG  16          1HH2      ARG  16  11.037   5.458 -10.860
  107    H    ASP  17           H        ASP  17  14.856  -2.432  -9.524
  108    HA   ASP  17           HA       ASP  17  15.556  -4.885 -10.765
  109   1HB   ASP  17          2HB       ASP  17  17.627  -3.620 -11.256
  110    H    ILE  18           H        ILE  18  13.737  -4.178  -8.804
  111    HA   ILE  18           HA       ILE  18  14.414  -4.329  -6.167
  112    HB   ILE  18           HB       ILE  18  12.121  -4.019  -6.839
  113   1HG1  ILE  18          2HG1      ILE  18  12.456  -6.561  -5.234
  114   1HG2  ILE  18          1HG2      ILE  18  12.160  -5.494  -8.802
  115   2HG2  ILE  18          2HG2      ILE  18  12.134  -6.896  -7.733
  116   3HG2  ILE  18          3HG2      ILE  18  10.760  -5.791  -7.770
  117   1HD1  ILE  18          1HD1      ILE  18  10.352  -5.989  -4.164
  118   2HD1  ILE  18          2HD1      ILE  18  10.144  -4.639  -5.279
  119   3HD1  ILE  18          3HD1      ILE  18  10.130  -6.294  -5.887
  120    H    SER  19           H        SER  19  15.687  -5.682  -5.110
  121    HA   SER  19           HA       SER  19  16.388  -8.262  -6.087
  122   1HB   SER  19          2HB       SER  19  16.909  -6.906  -3.431
  123    HG   SER  19           HG       SER  19  18.425  -5.993  -4.537
  124    HA   PRO  20           HA       PRO  20  13.370 -10.956  -4.350
  125   1HB   PRO  20          2HB       PRO  20  14.932 -12.913  -3.210
  126   1HG   PRO  20          2HG       PRO  20  16.991 -11.859  -3.440
  127   1HD   PRO  20          2HD       PRO  20  17.319 -10.089  -4.913
  128    H    ALA  21           H        ALA  21  15.978  -9.856  -2.271
  129    HA   ALA  21           HA       ALA  21  15.157 -10.711   0.207
  130   1HB   ALA  21          1HB       ALA  21  17.217  -9.450  -0.172
  131   2HB   ALA  21          2HB       ALA  21  16.273  -7.987  -0.456
  132   3HB   ALA  21          3HB       ALA  21  16.265  -8.745   1.136
  133    H    TYR  22           H        TYR  22  13.987  -7.895  -1.603
  134    HA   TYR  22           HA       TYR  22  12.027  -7.273   0.439
  135   1HB   TYR  22          2HB       TYR  22  12.575  -6.032  -2.264
  136    HD1  TYR  22           1HD      TYR  22  14.998  -5.957  -1.610
  137    HD2  TYR  22           2HD      TYR  22  11.965  -4.042   0.677
  138    HE1  TYR  22           1HE      TYR  22  16.707  -4.567  -0.519
  139    HE2  TYR  22           2HE      TYR  22  13.666  -2.646   1.774
  140    HH   TYR  22           HH       TYR  22  16.087  -2.726   2.253
  141    H    ARG  23           H        ARG  23  12.099  -8.630  -2.820
  142    HA   ARG  23           HA       ARG  23   9.291  -8.734  -3.180
  143   1HB   ARG  23          2HB       ARG  23  10.734  -8.839  -5.099
  144   1HG   ARG  23          2HG       ARG  23   9.901 -10.695  -6.318
  145   1HD   ARG  23          2HD       ARG  23   7.526 -10.708  -5.758
  146    HE   ARG  23           HE       ARG  23   8.927  -8.343  -6.201
  147   1HH1  ARG  23          2HH1      ARG  23   5.872  -9.382  -4.886
  148   2HH1  ARG  23          1HH1      ARG  23   5.043  -7.923  -5.315
  149   1HH2  ARG  23          2HH2      ARG  23   7.843  -6.417  -6.773
  150   2HH2  ARG  23          1HH2      ARG  23   6.164  -6.238  -6.389
  151    H    GLN  24           H        GLN  24  11.617 -11.337  -2.421
  152    HA   GLN  24           HA       GLN  24  10.004 -13.480  -2.102
  153   1HB   GLN  24          2HB       GLN  24  12.292 -12.631  -0.324
  154   1HG   GLN  24          2HG       GLN  24  12.891 -13.032  -2.673
  155   1HE2  GLN  24          1HE2      GLN  24  13.115 -14.425  -4.421
  156   2HE2  GLN  24          2HE2      GLN  24  12.104 -15.812  -4.626
  157    H    LYS  25           H        LYS  25  10.170 -10.721   0.037
  158    HA   LYS  25           HA       LYS  25   8.764 -11.869   2.217
  159   1HB   LYS  25          2HB       LYS  25   8.986  -8.963   1.406
  160   1HG   LYS  25          2HG       LYS  25  11.192  -9.928   1.771
  161   1HD   LYS  25          2HD       LYS  25  10.627 -11.799   3.199
  162   1HE   LYS  25          2HE       LYS  25   8.818 -10.856   4.486
  163   1HZ   LYS  25          1HZ       LYS  25   9.239  -9.263   6.241
  164   2HZ   LYS  25          2HZ       LYS  25   9.676  -8.607   4.744
  165   3HZ   LYS  25          3HZ       LYS  25  10.872  -9.161   5.804
  166    H    LEU  26           H        LEU  26   7.717  -9.635  -0.349
  167    HA   LEU  26           HA       LEU  26   5.019  -9.541   0.274
  168   1HB   LEU  26          2HB       LEU  26   6.227  -9.486  -2.493
  169    HG   LEU  26           HG       LEU  26   7.303  -7.790  -1.049
  170   1HD1  LEU  26          1HD1      LEU  26   5.377  -6.676  -3.084
  171   2HD1  LEU  26          2HD1      LEU  26   6.812  -5.857  -2.466
  172   3HD1  LEU  26          3HD1      LEU  26   6.979  -7.334  -3.416
  173   1HD2  LEU  26          1HD2      LEU  26   4.491  -6.766  -0.681
  174   2HD2  LEU  26          2HD2      LEU  26   5.503  -7.493   0.566
  175   3HD2  LEU  26          3HD2      LEU  26   5.964  -5.951  -0.154
  176    H    LEU  27           H        LEU  27   6.667 -11.715  -2.014
  177    HA   LEU  27           HA       LEU  27   4.537 -13.193  -2.896
  178   1HB   LEU  27          2HB       LEU  27   7.307 -14.199  -2.244
  179    HG   LEU  27           HG       LEU  27   7.397 -12.372  -3.882
  180   1HD1  LEU  27          1HD1      LEU  27   8.509 -13.607  -5.687
  181   2HD1  LEU  27          2HD1      LEU  27   8.977 -14.198  -4.094
  182   3HD1  LEU  27          3HD1      LEU  27   7.824 -15.110  -5.069
  183   1HD2  LEU  27          1HD2      LEU  27   6.294 -12.618  -6.054
  184   2HD2  LEU  27          2HD2      LEU  27   5.497 -14.083  -5.483
  185   3HD2  LEU  27          3HD2      LEU  27   5.122 -12.529  -4.739
  186    H    SER  28           H        SER  28   6.403 -13.664   0.079
  187    HA   SER  28           HA       SER  28   5.269 -16.034   0.965
  188   1HB   SER  28          2HB       SER  28   7.186 -15.001   2.079
  189    HG   SER  28           HG       SER  28   5.222 -14.934   4.067
  190    H    LEU  29           H        LEU  29   4.213 -12.706   1.648
  191    HA   LEU  29           HA       LEU  29   1.872 -13.531   3.057
  192   1HB   LEU  29          2HB       LEU  29   2.557 -10.856   1.832
  193    HG   LEU  29           HG       LEU  29   4.197 -11.444   3.554
  194   1HD1  LEU  29          1HD1      LEU  29   2.161  -9.372   4.348
  195   2HD1  LEU  29          2HD1      LEU  29   3.739  -9.551   5.118
  196   3HD1  LEU  29          3HD1      LEU  29   3.637  -9.134   3.409
  197   1HD2  LEU  29          1HD2      LEU  29   2.882 -13.071   4.790
  198   2HD2  LEU  29          2HD2      LEU  29   3.480 -11.809   5.866
  199   3HD2  LEU  29          3HD2      LEU  29   1.797 -11.795   5.342
  200    H    GLY  30           H        GLY  30   2.657 -13.014  -0.269
  201   1HA   GLY  30          1HA       GLY  30   1.330 -13.847  -2.040
  202   2HA   GLY  30          2HA       GLY  30  -0.077 -13.763  -0.992
  203    H    MET  31           H        MET  31   1.978 -11.009  -1.012
  204    HA   MET  31           HA       MET  31  -0.100  -9.493  -2.386
  205   1HB   MET  31          2HB       MET  31   2.308  -8.596  -0.798
  206   1HG   MET  31          2HG       MET  31  -0.628  -8.523  -0.148
  207   1HE   MET  31          1HE       MET  31   2.695  -8.406   1.893
  208   2HE   MET  31          2HE       MET  31   3.010  -7.237   0.613
  209   3HE   MET  31          3HE       MET  31   2.836  -6.692   2.281
  210    H    LEU  32           H        LEU  32   0.305 -10.071  -4.536
  211    HA   LEU  32           HA       LEU  32   2.932  -9.474  -5.652
  212   1HB   LEU  32          2HB       LEU  32   0.439 -10.682  -6.844
  213    HG   LEU  32           HG       LEU  32   3.160 -11.930  -6.464
  214   1HD1  LEU  32          1HD1      LEU  32   1.959 -13.384  -4.824
  215   2HD1  LEU  32          2HD1      LEU  32   2.175 -11.712  -4.305
  216   3HD1  LEU  32          3HD1      LEU  32   0.607 -12.255  -4.903
  217   1HD2  LEU  32          1HD2      LEU  32   1.963 -12.761  -8.410
  218   2HD2  LEU  32          2HD2      LEU  32   2.020 -13.986  -7.145
  219   3HD2  LEU  32          3HD2      LEU  32   0.539 -13.070  -7.419
  220    HA   PRO  33           HA       PRO  33   2.281  -5.504  -7.420
  221   1HB   PRO  33          2HB       PRO  33   2.386  -6.817 -10.107
  222   1HG   PRO  33          2HG       PRO  33   4.498  -7.716  -9.717
  223   1HD   PRO  33          2HD       PRO  33   3.293  -9.168  -8.417
  224    H    GLY  34           H        GLY  34   0.211  -4.939  -6.952
  225   1HA   GLY  34          1HA       GLY  34  -1.779  -4.151  -8.182
  226   2HA   GLY  34          2HA       GLY  34  -1.861  -5.754  -8.896
  227    H    SER  35           H        SER  35  -1.420  -4.609  -5.554
  228    HA   SER  35           HA       SER  35  -3.748  -6.255  -4.799
  229   1HB   SER  35          2HB       SER  35  -1.670  -7.196  -3.905
  230    HG   SER  35           HG       SER  35  -2.884  -5.894  -1.722
  231    H    SER  36           H        SER  36  -4.685  -5.503  -2.620
  232    HA   SER  36           HA       SER  36  -4.806  -2.558  -2.615
  233   1HB   SER  36          2HB       SER  36  -7.159  -2.765  -1.887
  234    HG   SER  36           HG       SER  36  -7.755  -5.208  -2.549
  235    H    PHE  37           H        PHE  37  -4.684  -1.500  -0.684
  236    HA   PHE  37           HA       PHE  37  -4.780  -3.006   1.804
  237   1HB   PHE  37          2HB       PHE  37  -2.593  -2.266   2.562
  238    HD1  PHE  37           1HD      PHE  37  -1.564  -0.218   2.773
  239    HD2  PHE  37           2HD      PHE  37  -2.369  -1.742  -1.115
  240    HE1  PHE  37           1HE      PHE  37  -0.343   1.675   1.783
  241    HE2  PHE  37           2HE      PHE  37  -1.151   0.149  -2.115
  242    HZ   PHE  37           HZ       PHE  37  -0.120   1.851  -0.661
  243    H    HIS  38           H        HIS  38  -4.658  -1.571   3.716
  244    HA   HIS  38           HA       HIS  38  -5.850   1.048   3.097
  245   1HB   HIS  38          2HB       HIS  38  -7.353  -0.427   4.321
  246    HD1  HIS  38           1HD      HIS  38  -8.783   1.659   4.485
  247    HD2  HIS  38           2HD      HIS  38  -5.706   1.563   7.275
  248    HE1  HIS  38           1HE      HIS  38  -9.258   3.550   6.074
  249    HE2  HIS  38           2HE      HIS  38  -7.428   3.421   7.800
  250    H    VAL  39           H        VAL  39  -5.250   2.874   4.340
  251    HA   VAL  39           HA       VAL  39  -2.480   2.768   5.249
  252    HB   VAL  39           HB       VAL  39  -4.281   5.157   4.837
  253   1HG1  VAL  39          1HG1      VAL  39  -1.309   4.984   5.318
  254   2HG1  VAL  39          2HG1      VAL  39  -2.197   6.456   4.927
  255   3HG1  VAL  39          3HG1      VAL  39  -2.515   5.611   6.442
  256   1HG2  VAL  39          1HG2      VAL  39  -2.997   5.520   2.783
  257   2HG2  VAL  39          2HG2      VAL  39  -2.112   4.023   3.074
  258   3HG2  VAL  39          3HG2      VAL  39  -3.845   3.973   2.749
  259    H    VAL  40           H        VAL  40  -1.884   2.865   7.320
  260    HA   VAL  40           HA       VAL  40  -3.970   3.239   9.343
  261    HB   VAL  40           HB       VAL  40  -1.174   2.126   9.636
  262   1HG1  VAL  40          1HG1      VAL  40  -1.957   1.394  11.863
  263   2HG1  VAL  40          2HG1      VAL  40  -1.903   3.150  11.700
  264   3HG1  VAL  40          3HG1      VAL  40  -3.448   2.303  11.610
  265   1HG2  VAL  40          1HG2      VAL  40  -2.713   0.710   8.311
  266   2HG2  VAL  40          2HG2      VAL  40  -2.230  -0.037   9.835
  267   3HG2  VAL  40          3HG2      VAL  40  -3.827   0.693   9.677
  268    H    ARG  41           H        ARG  41  -0.845   4.506   8.313
  269    HA   ARG  41           HA       ARG  41  -1.341   7.071   9.359
  270   1HB   ARG  41          2HB       ARG  41   0.337   7.138  11.156
  271   1HG   ARG  41          2HG       ARG  41   0.438   4.143  10.869
  272   1HD   ARG  41          2HD       ARG  41   0.462   4.846  13.199
  273    HE   ARG  41           HE       ARG  41   2.236   6.918  12.311
  274   1HH1  ARG  41          2HH1      ARG  41   1.279   4.954  15.024
  275   2HH1  ARG  41          1HH1      ARG  41   1.817   6.099  16.208
  276   1HH2  ARG  41          2HH2      ARG  41   2.946   8.432  13.858
  277   2HH2  ARG  41          1HH2      ARG  41   2.763   8.077  15.544
  278    H    VAL  42           H        VAL  42  -0.219   8.421   8.125
  279    HA   VAL  42           HA       VAL  42   2.477   7.685   7.246
  280    HB   VAL  42           HB       VAL  42   0.345   8.677   5.347
  281   1HG1  VAL  42          1HG1      VAL  42   2.082   8.281   3.626
  282   2HG1  VAL  42          2HG1      VAL  42   2.510   9.557   4.765
  283   3HG1  VAL  42          3HG1      VAL  42   3.240   7.958   4.917
  284   1HG2  VAL  42          1HG2      VAL  42   0.183   6.259   6.086
  285   2HG2  VAL  42          2HG2      VAL  42   0.337   6.534   4.349
  286   3HG2  VAL  42          3HG2      VAL  42   1.736   6.014   5.287
  287    H    ALA  43           H        ALA  43   3.751   9.490   6.511
  288    HA   ALA  43           HA       ALA  43   2.671  12.139   7.158
  289   1HB   ALA  43          1HB       ALA  43   3.854  11.334   9.148
  290   2HB   ALA  43          2HB       ALA  43   5.308  11.095   8.179
  291   3HB   ALA  43          3HB       ALA  43   4.670  12.720   8.421
  292    HA   PRO  44           HA       PRO  44   4.489  13.020   3.172
  293   1HB   PRO  44          2HB       PRO  44   4.474  15.810   4.181
  294   1HG   PRO  44          2HG       PRO  44   2.224  15.836   4.759
  295   1HD   PRO  44          2HD       PRO  44   3.098  14.589   6.499
  296    H    LEU  45           H        LEU  45   5.724  14.495   6.130
  297    HA   LEU  45           HA       LEU  45   8.193  15.375   5.145
  298   1HB   LEU  45          2HB       LEU  45   7.250  16.070   7.301
  299    HG   LEU  45           HG       LEU  45   9.935  14.728   7.638
  300   1HD1  LEU  45          1HD1      LEU  45  10.843  16.944   7.189
  301   2HD1  LEU  45          2HD1      LEU  45   9.883  16.364   5.828
  302   3HD1  LEU  45          3HD1      LEU  45   9.215  17.568   6.930
  303   1HD2  LEU  45          1HD2      LEU  45   8.594  16.858   9.301
  304   2HD2  LEU  45          2HD2      LEU  45   8.893  15.191   9.792
  305   3HD2  LEU  45          3HD2      LEU  45  10.249  16.281   9.502
  306    H    GLY  46           H        GLY  46   7.277  12.297   6.662
  307   1HA   GLY  46          1HA       GLY  46   8.523  10.413   5.401
  308   2HA   GLY  46          2HA       GLY  46   9.946  11.239   6.020
  309    H    ASP  47           H        ASP  47   7.394   9.054   6.716
  310    HA   ASP  47           HA       ASP  47   8.641   8.414   9.262
  311   1HB   ASP  47          2HB       ASP  47   5.762   9.272   8.988
  312    HA   PRO  48           HA       PRO  48   7.370   4.326   8.197
  313   1HB   PRO  48          2HB       PRO  48   6.870   3.416  10.851
  314   1HG   PRO  48          2HG       PRO  48   8.001   4.841  12.211
  315   1HD   PRO  48          2HD       PRO  48   6.757   6.569  11.318
  316    H    VAL  49           H        VAL  49   5.532   3.728   7.304
  317    HA   VAL  49           HA       VAL  49   3.013   4.234   8.726
  318    HB   VAL  49           HB       VAL  49   2.938   5.371   6.676
  319   1HG1  VAL  49          1HG1      VAL  49   4.091   2.902   5.396
  320   2HG1  VAL  49          2HG1      VAL  49   3.533   4.323   4.515
  321   3HG1  VAL  49          3HG1      VAL  49   4.892   4.458   5.632
  322   1HG2  VAL  49          1HG2      VAL  49   0.881   4.166   6.999
  323   2HG2  VAL  49          2HG2      VAL  49   1.278   4.140   5.282
  324   3HG2  VAL  49          3HG2      VAL  49   1.566   2.712   6.273
  325    H    HIS  50           H        HIS  50   1.327   2.657   8.567
  326    HA   HIS  50           HA       HIS  50   2.310  -0.095   8.199
  327   1HB   HIS  50          2HB       HIS  50   0.374   0.903  10.300
  328    HD1  HIS  50           1HD      HIS  50   2.781  -1.612  11.323
  329    HD2  HIS  50           2HD      HIS  50   2.659   2.539  11.155
  330    HE1  HIS  50           1HE      HIS  50   4.640  -0.822  12.823
  331    HE2  HIS  50           2HE      HIS  50   4.610   1.688  12.626
  332    H    ILE  51           H        ILE  51   1.134  -1.355   6.889
  333    HA   ILE  51           HA       ILE  51  -1.388  -0.254   5.861
  334    HB   ILE  51           HB       ILE  51  -1.094  -1.713   3.935
  335   1HG1  ILE  51          2HG1      ILE  51   1.425  -2.606   5.356
  336   1HG2  ILE  51          1HG2      ILE  51  -0.085   0.512   3.901
  337   2HG2  ILE  51          2HG2      ILE  51   1.407  -0.150   4.569
  338   3HG2  ILE  51          3HG2      ILE  51   0.868  -0.637   2.960
  339   1HD1  ILE  51          1HD1      ILE  51   1.923  -2.396   3.004
  340   2HD1  ILE  51          2HD1      ILE  51   1.785  -4.097   3.449
  341   3HD1  ILE  51          3HD1      ILE  51   0.466  -3.300   2.591
  342    H    GLU  52           H        GLU  52  -3.275  -1.346   6.006
  343    HA   GLU  52           HA       GLU  52  -3.224  -3.857   7.533
  344   1HB   GLU  52          2HB       GLU  52  -4.433  -1.991   8.591
  345   1HG   GLU  52          2HG       GLU  52  -6.320  -4.123   7.618
  346    H    THR  53           H        THR  53  -3.678  -5.665   6.484
  347    HA   THR  53           HA       THR  53  -5.378  -5.515   4.081
  348    HB   THR  53           HB       THR  53  -4.082  -7.295   3.055
  349    HG1  THR  53           1HG      THR  53  -2.607  -8.398   4.141
  350   1HG2  THR  53          1HG2      THR  53  -2.302  -5.077   4.073
  351   2HG2  THR  53          2HG2      THR  53  -3.343  -5.002   2.651
  352   3HG2  THR  53          3HG2      THR  53  -1.969  -6.106   2.679
  353    H    ARG  54           H        ARG  54  -5.786  -8.101   3.523
  354    HA   ARG  54           HA       ARG  54  -7.815  -8.902   5.188
  355   1HB   ARG  54          2HB       ARG  54  -7.546  -9.828   2.964
  356   1HG   ARG  54          2HG       ARG  54  -7.897 -12.199   3.337
  357   1HD   ARG  54          2HD       ARG  54  -9.105 -10.521   5.533
  358    HE   ARG  54           HE       ARG  54  -9.500 -13.225   5.064
  359   1HH1  ARG  54          2HH1      ARG  54 -11.412 -10.319   5.229
  360   2HH1  ARG  54          1HH1      ARG  54 -12.843 -11.135   5.763
  361   1HH2  ARG  54          2HH2      ARG  54 -11.378 -14.311   5.767
  362   2HH2  ARG  54          1HH2      ARG  54 -12.823 -13.407   6.071
  363    H    ARG  55           H        ARG  55  -7.292  -8.799   7.350
  364    HA   ARG  55           HA       ARG  55  -6.531  -9.489   9.366
  365   1HB   ARG  55          2HB       ARG  55  -6.386 -12.117   7.882
  366   1HG   ARG  55          2HG       ARG  55  -8.644 -11.200   7.953
  367   1HD   ARG  55          2HD       ARG  55  -8.446  -9.769   9.910
  368    HE   ARG  55           HE       ARG  55  -7.343 -11.839  11.260
  369   1HH1  ARG  55          2HH1      ARG  55 -10.189  -9.896  11.756
  370   2HH1  ARG  55          1HH1      ARG  55 -10.137 -10.027  13.482
  371   1HH2  ARG  55          2HH2      ARG  55  -7.264 -12.023  13.531
  372   2HH2  ARG  55          1HH2      ARG  55  -8.474 -11.239  14.492
  373    H    VAL  56           H        VAL  56  -4.549  -8.404   7.570
  374    HA   VAL  56           HA       VAL  56  -2.190  -9.425   8.921
  375    HB   VAL  56           HB       VAL  56  -2.319  -9.338   5.904
  376   1HG1  VAL  56          1HG1      VAL  56  -0.038 -10.053   7.743
  377   2HG1  VAL  56          2HG1      VAL  56  -0.023 -10.184   5.985
  378   3HG1  VAL  56          3HG1      VAL  56  -0.155  -8.601   6.750
  379   1HG2  VAL  56          1HG2      VAL  56  -1.940 -11.751   6.021
  380   2HG2  VAL  56          2HG2      VAL  56  -2.010 -11.678   7.783
  381   3HG2  VAL  56          3HG2      VAL  56  -3.441 -11.296   6.827
  382    H    SER  57           H        SER  57  -1.618  -7.559   9.869
  383    HA   SER  57           HA       SER  57  -1.621  -5.088   8.300
  384   1HB   SER  57          2HB       SER  57  -2.689  -4.994  10.506
  385    HG   SER  57           HG       SER  57  -0.899  -3.442  11.420
  386    H    LEU  58           H        LEU  58   0.190  -4.809   7.147
  387    HA   LEU  58           HA       LEU  58   2.756  -5.606   8.328
  388   1HB   LEU  58          2HB       LEU  58   2.141  -6.495   6.085
  389    HG   LEU  58           HG       LEU  58   4.547  -4.668   6.034
  390   1HD1  LEU  58          1HD1      LEU  58   4.622  -6.266   7.865
  391   2HD1  LEU  58          2HD1      LEU  58   4.280  -7.585   6.746
  392   3HD1  LEU  58          3HD1      LEU  58   5.794  -6.691   6.618
  393   1HD2  LEU  58          1HD2      LEU  58   3.792  -6.998   4.274
  394   2HD2  LEU  58          2HD2      LEU  58   3.905  -5.306   3.790
  395   3HD2  LEU  58          3HD2      LEU  58   5.356  -6.185   4.268
  396    H    VAL  59           H        VAL  59   4.569  -4.192   8.217
  397    HA   VAL  59           HA       VAL  59   3.808  -1.346   8.186
  398    HB   VAL  59           HB       VAL  59   4.545  -2.088  10.384
  399   1HG1  VAL  59          1HG1      VAL  59   5.914  -3.976   9.779
  400   2HG1  VAL  59          2HG1      VAL  59   7.077  -2.922   8.974
  401   3HG1  VAL  59          3HG1      VAL  59   6.878  -2.842  10.725
  402   1HG2  VAL  59          1HG2      VAL  59   6.327  -0.457  10.759
  403   2HG2  VAL  59          2HG2      VAL  59   6.616  -0.368   9.021
  404   3HG2  VAL  59          3HG2      VAL  59   5.082   0.191   9.689
  405    H    LEU  60           H        LEU  60   4.761  -0.029   6.764
  406    HA   LEU  60           HA       LEU  60   7.236  -0.924   5.448
  407   1HB   LEU  60          2HB       LEU  60   4.888   0.388   4.077
  408    HG   LEU  60           HG       LEU  60   4.414  -1.993   4.527
  409   1HD1  LEU  60          1HD1      LEU  60   3.567  -0.929   2.499
  410   2HD1  LEU  60          2HD1      LEU  60   5.038  -1.386   1.641
  411   3HD1  LEU  60          3HD1      LEU  60   3.935  -2.632   2.227
  412   1HD2  LEU  60          1HD2      LEU  60   5.787  -3.719   3.471
  413   2HD2  LEU  60          2HD2      LEU  60   6.933  -2.488   2.942
  414   3HD2  LEU  60          3HD2      LEU  60   6.710  -2.804   4.664
  415    H    ARG  61           H        ARG  61   8.781   0.608   5.186
  416    HA   ARG  61           HA       ARG  61   8.158   3.289   6.201
  417   1HB   ARG  61          2HB       ARG  61  10.822   1.902   5.852
  418   1HG   ARG  61          2HG       ARG  61   9.368   2.602   8.394
  419   1HD   ARG  61          2HD       ARG  61  11.911   1.054   7.915
  420    HE   ARG  61           HE       ARG  61  10.250   1.134  10.196
  421   1HH1  ARG  61          2HH1      ARG  61  13.599   1.328   9.256
  422   2HH1  ARG  61          1HH1      ARG  61  14.191   0.691  10.754
  423   1HH2  ARG  61          2HH2      ARG  61  11.019   0.298  12.173
  424   2HH2  ARG  61          1HH2      ARG  61  12.724   0.107  12.413
  425    H    LYS  62           H        LYS  62   9.227   5.118   5.178
  426    HA   LYS  62           HA       LYS  62   8.627   5.551   2.575
  427   1HB   LYS  62          2HB       LYS  62  10.115   7.433   2.614
  428   1HG   LYS  62          2HG       LYS  62  12.139   6.215   3.441
  429   1HD   LYS  62          2HD       LYS  62  10.843   6.681   6.127
  430   1HE   LYS  62          2HE       LYS  62  12.860   5.650   7.043
  431   1HZ   LYS  62          1HZ       LYS  62  12.806   8.063   6.882
  432   2HZ   LYS  62          2HZ       LYS  62  13.484   7.998   5.334
  433   3HZ   LYS  62          3HZ       LYS  62  14.382   7.485   6.674
  434    H    LYS  63           H        LYS  63  11.579   4.077   3.803
  435    HA   LYS  63           HA       LYS  63  13.024   4.065   1.384
  436   1HB   LYS  63          2HB       LYS  63  14.402   2.318   2.469
  437   1HG   LYS  63          2HG       LYS  63  12.244   2.405   4.555
  438   1HD   LYS  63          2HD       LYS  63  14.387   2.739   5.676
  439   1HE   LYS  63          2HE       LYS  63  15.212   0.191   4.291
  440   1HZ   LYS  63          1HZ       LYS  63  16.076   0.370   6.546
  441   2HZ   LYS  63          2HZ       LYS  63  16.703   1.903   6.205
  442   3HZ   LYS  63          3HZ       LYS  63  17.315   0.545   5.407
  443    H    ASP  64           H        ASP  64  10.651   1.870   2.748
  444    HA   ASP  64           HA       ASP  64  11.086  -0.137   0.721
  445   1HB   ASP  64          2HB       ASP  64  10.384  -0.783   2.988
  446    H    LEU  65           H        LEU  65   9.098   2.657   1.140
  447    HA   LEU  65           HA       LEU  65   7.200   1.872  -0.905
  448   1HB   LEU  65          2HB       LEU  65   7.542   4.376   0.730
  449    HG   LEU  65           HG       LEU  65   5.428   2.229   0.695
  450   1HD1  LEU  65          1HD1      LEU  65   7.360   1.834   2.133
  451   2HD1  LEU  65          2HD1      LEU  65   7.106   3.397   2.908
  452   3HD1  LEU  65          3HD1      LEU  65   5.902   2.122   3.082
  453   1HD2  LEU  65          1HD2      LEU  65   4.333   4.418   0.636
  454   2HD2  LEU  65          2HD2      LEU  65   4.121   3.625   2.198
  455   3HD2  LEU  65          3HD2      LEU  65   5.292   4.932   2.025
  456    H    ALA  66           H        ALA  66  10.189   3.569  -0.711
  457    HA   ALA  66           HA       ALA  66   9.897   5.222  -2.997
  458   1HB   ALA  66          1HB       ALA  66  12.304   5.516  -2.870
  459   2HB   ALA  66          2HB       ALA  66  11.588   5.619  -1.261
  460   3HB   ALA  66          3HB       ALA  66  12.431   4.152  -1.759
  461    H    LEU  67           H        LEU  67  10.614   1.864  -2.575
  462    HA   LEU  67           HA       LEU  67  11.649   1.583  -5.284
  463   1HB   LEU  67          2HB       LEU  67  11.229  -0.419  -3.068
  464    HG   LEU  67           HG       LEU  67  13.173   1.046  -2.691
  465   1HD1  LEU  67          1HD1      LEU  67  13.272  -1.257  -1.937
  466   2HD1  LEU  67          2HD1      LEU  67  13.872  -1.768  -3.515
  467   3HD1  LEU  67          3HD1      LEU  67  14.859  -0.724  -2.491
  468   1HD2  LEU  67          1HD2      LEU  67  15.058   0.993  -4.245
  469   2HD2  LEU  67          2HD2      LEU  67  14.117   0.003  -5.359
  470   3HD2  LEU  67          3HD2      LEU  67  13.616   1.656  -5.013
  471    H    ILE  68           H        ILE  68   8.998   0.147  -3.364
  472    HA   ILE  68           HA       ILE  68   7.736  -1.073  -5.580
  473    HB   ILE  68           HB       ILE  68   5.817  -1.406  -4.128
  474   1HG1  ILE  68          2HG1      ILE  68   7.248   0.456  -2.223
  475   1HG2  ILE  68          1HG2      ILE  68   8.419  -1.771  -2.649
  476   2HG2  ILE  68          2HG2      ILE  68   6.910  -2.619  -2.309
  477   3HG2  ILE  68          3HG2      ILE  68   7.739  -2.877  -3.843
  478   1HD1  ILE  68          1HD1      ILE  68   6.157  -1.294  -0.962
  479   2HD1  ILE  68          2HD1      ILE  68   5.280   0.225  -0.791
  480   3HD1  ILE  68          3HD1      ILE  68   4.661  -1.034  -1.858
  481    H    GLU  69           H        GLU  69   5.825  -0.492  -6.678
  482    HA   GLU  69           HA       GLU  69   5.451   2.408  -6.884
  483   1HB   GLU  69          2HB       GLU  69   6.032   1.039  -8.922
  484   1HG   GLU  69          2HG       GLU  69   3.376   2.450  -9.050
  485    H    LEU  70           H        LEU  70   3.457   3.378  -6.685
  486    HA   LEU  70           HA       LEU  70   1.302   1.663  -5.633
  487   1HB   LEU  70          2HB       LEU  70   1.862   4.554  -4.968
  488    HG   LEU  70           HG       LEU  70   2.211   3.690  -2.630
  489   1HD1  LEU  70          1HD1      LEU  70   1.250   1.486  -2.889
  490   2HD1  LEU  70          2HD1      LEU  70   2.484   1.060  -4.076
  491   3HD1  LEU  70          3HD1      LEU  70   2.938   1.356  -2.398
  492   1HD2  LEU  70          1HD2      LEU  70   4.297   2.690  -4.552
  493   2HD2  LEU  70          2HD2      LEU  70   4.031   4.405  -4.235
  494   3HD2  LEU  70          3HD2      LEU  70   4.525   3.332  -2.926
  495    H    GLU  71           H        GLU  71  -0.841   2.155  -6.219
  496    HA   GLU  71           HA       GLU  71  -1.249   4.184  -8.279
  497   1HB   GLU  71          2HB       GLU  71  -0.685   2.110  -9.490
  498   1HG   GLU  71          2HG       GLU  71  -2.644   1.900 -10.913
  499    H    ALA  72           H        ALA  72  -3.492   4.693  -8.650
  500    HA   ALA  72           HA       ALA  72  -5.016   5.007  -6.378
  501   1HB   ALA  72          1HB       ALA  72  -6.043   4.808  -9.207
  502   2HB   ALA  72          2HB       ALA  72  -6.883   5.549  -7.845
  503   3HB   ALA  72          3HB       ALA  72  -5.387   6.260  -8.451
  504    H    VAL  73           H        VAL  73  -7.201   4.100  -5.921
  505    HA   VAL  73           HA       VAL  73  -7.072   1.183  -6.053
  506    HB   VAL  73           HB       VAL  73  -8.779   1.182  -4.315
  507   1HG1  VAL  73          1HG1      VAL  73  -7.479   2.192  -2.519
  508   2HG1  VAL  73          2HG1      VAL  73  -6.430   1.352  -3.661
  509   3HG1  VAL  73          3HG1      VAL  73  -6.546   3.112  -3.699
  510   1HG2  VAL  73          1HG2      VAL  73 -10.032   3.153  -5.024
  511   2HG2  VAL  73          2HG2      VAL  73  -9.578   3.272  -3.323
  512   3HG2  VAL  73          3HG2      VAL  73  -8.690   4.190  -4.539
  513    H    ALA  74           H        ALA  74  -8.987  -0.064  -6.525
  514    HA   ALA  74           HA       ALA  74 -10.369   0.921  -8.834
  515   1HB   ALA  74          1HB       ALA  74  -9.682  -1.416  -8.683
  516   2HB   ALA  74          2HB       ALA  74 -10.750  -1.648  -7.297
  517   3HB   ALA  74          3HB       ALA  74 -11.429  -1.283  -8.883
  518    H    GLN  75           H        GLN  75 -12.567   1.328  -9.075
  519    HA   GLN  75           HA       GLN  75 -14.329   1.201  -6.789
  520   1HB   GLN  75          2HB       GLN  75 -14.887   3.610  -6.852
  521   1HG   GLN  75          2HG       GLN  75 -12.558   3.761  -8.732
  522   1HE2  GLN  75          1HE2      GLN  75 -14.413   5.461  -6.295
  523   2HE2  GLN  75          2HE2      GLN  75 -13.449   6.895  -6.293
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -1.486  13.570  -4.045
    2   2H    MET   1          2H        MET   1  -2.380  12.135  -4.109
    3   3H    MET   1          3H        MET   1  -1.878  12.882  -5.540
    4    HA   MET   1           HA       MET   1  -0.525  10.951  -5.033
    5   1HB   MET   1          2HB       MET   1   0.944  13.579  -4.729
    6   1HG   MET   1          2HG       MET   1   0.300  12.039  -7.234
    7   1HE   MET   1          1HE       MET   1   1.728  14.729  -9.741
    8   2HE   MET   1          2HE       MET   1   0.920  13.166  -9.613
    9   3HE   MET   1          3HE       MET   1   0.106  14.629  -9.057
   10    H    GLN   2           H        GLN   2  -0.062  13.530  -2.617
   11    HA   GLN   2           HA       GLN   2   1.581  12.177  -0.856
   12   1HB   GLN   2          2HB       GLN   2  -0.611  14.143  -0.164
   13   1HG   GLN   2          2HG       GLN   2   2.301  14.747  -0.493
   14   1HE2  GLN   2          1HE2      GLN   2   2.195  16.147   1.255
   15   2HE2  GLN   2          2HE2      GLN   2   1.295  17.621   1.202
   16    H    PHE   3           H        PHE   3   1.234  10.145  -0.197
   17    HA   PHE   3           HA       PHE   3  -1.275   8.935   0.158
   18   1HB   PHE   3          2HB       PHE   3   1.327   8.148   1.481
   19    HD1  PHE   3           1HD      PHE   3  -0.609   6.338  -1.053
   20    HD2  PHE   3           2HD      PHE   3   2.888   8.632  -0.264
   21    HE1  PHE   3           1HE      PHE   3   0.321   5.659  -3.228
   22    HE2  PHE   3           2HE      PHE   3   3.825   7.957  -2.436
   23    HZ   PHE   3           HZ       PHE   3   2.550   6.473  -3.920
   24    H    THR   4           H        THR   4  -2.690   9.954   1.492
   25    HA   THR   4           HA       THR   4  -1.811  10.633   4.205
   26    HB   THR   4           HB       THR   4  -4.098  11.737   4.355
   27    HG1  THR   4           1HG      THR   4  -5.377  11.415   2.711
   28   1HG2  THR   4          1HG2      THR   4  -2.195  12.761   2.246
   29   2HG2  THR   4          2HG2      THR   4  -2.017  12.989   3.985
   30   3HG2  THR   4          3HG2      THR   4  -3.377  13.719   3.134
   31    HA   PRO   5           HA       PRO   5  -3.859   7.132   5.931
   32   1HB   PRO   5          2HB       PRO   5  -4.307   8.033   8.446
   33   1HG   PRO   5          2HG       PRO   5  -3.941  10.302   8.102
   34   1HD   PRO   5          2HD       PRO   5  -2.841  11.091   6.237
   35    H    ASP   6           H        ASP   6  -5.749   7.320   4.580
   36    HA   ASP   6           HA       ASP   6  -8.153   7.423   5.970
   37   1HB   ASP   6          2HB       ASP   6  -9.174   9.481   5.037
   38    H    SER   7           H        SER   7  -6.550   7.930   2.874
   39    HA   SER   7           HA       SER   7  -8.809   6.702   1.473
   40   1HB   SER   7          2HB       SER   7  -7.908   8.766   0.503
   41    HG   SER   7           HG       SER   7  -8.012   8.013  -1.483
   42    H    ALA   8           H        ALA   8  -8.594   4.849   0.217
   43    HA   ALA   8           HA       ALA   8  -6.625   2.973   1.164
   44   1HB   ALA   8          1HB       ALA   8  -8.934   2.268   0.800
   45   2HB   ALA   8          2HB       ALA   8  -8.784   2.643  -0.918
   46   3HB   ALA   8          3HB       ALA   8  -7.823   1.344  -0.211
   47    H    TRP   9           H        TRP   9  -5.575   1.495  -0.538
   48    HA   TRP   9           HA       TRP   9  -4.851   2.767  -3.024
   49   1HB   TRP   9          2HB       TRP   9  -2.702   2.266  -0.953
   50    HD1  TRP   9           HD       TRP   9  -3.831   3.925   0.856
   51    HE1  TRP   9           1HE      TRP   9  -3.917   6.495   0.965
   52    HE3  TRP   9           3HE      TRP   9  -2.607   4.990  -3.994
   53    HZ2  TRP   9           2HZ      TRP   9  -3.518   8.684  -0.773
   54    HZ3  TRP   9           3HZ      TRP   9  -2.480   7.346  -4.687
   55    HH2  TRP   9           HH       TRP   9  -2.927   9.155  -3.109
   56    H    LYS  10           H        LYS  10  -3.444   1.386  -4.347
   57    HA   LYS  10           HA       LYS  10  -3.782  -1.451  -3.637
   58   1HB   LYS  10          2HB       LYS  10  -3.811  -0.045  -6.300
   59   1HG   LYS  10          2HG       LYS  10  -5.733  -1.993  -5.047
   60   1HD   LYS  10          2HD       LYS  10  -6.011  -0.401  -7.591
   61   1HE   LYS  10          2HE       LYS  10  -7.922  -1.870  -7.988
   62   1HZ   LYS  10          1HZ       LYS  10  -8.060  -0.540  -5.337
   63   2HZ   LYS  10          2HZ       LYS  10  -9.389  -1.009  -6.271
   64   3HZ   LYS  10          3HZ       LYS  10  -8.348   0.201  -6.831
   65    H    ILE  11           H        ILE  11  -2.042  -2.764  -3.595
   66    HA   ILE  11           HA       ILE  11   0.561  -1.612  -3.589
   67    HB   ILE  11           HB       ILE  11  -0.197  -4.535  -3.573
   68   1HG1  ILE  11          2HG1      ILE  11   0.324  -2.630  -1.282
   69   1HG2  ILE  11          1HG2      ILE  11   2.007  -4.866  -2.554
   70   2HG2  ILE  11          2HG2      ILE  11   2.130  -4.174  -4.171
   71   3HG2  ILE  11          3HG2      ILE  11   2.350  -3.148  -2.754
   72   1HD1  ILE  11          1HD1      ILE  11   1.146  -4.823  -0.703
   73   2HD1  ILE  11          2HD1      ILE  11  -0.347  -4.480   0.171
   74   3HD1  ILE  11          3HD1      ILE  11  -0.370  -5.554  -1.228
   75    H    THR  12           H        THR  12   2.172  -1.696  -5.066
   76    HA   THR  12           HA       THR  12   1.855  -3.285  -7.489
   77    HB   THR  12           HB       THR  12   2.429  -0.328  -7.705
   78    HG1  THR  12           1HG      THR  12   0.252  -0.161  -8.431
   79   1HG2  THR  12          1HG2      THR  12   1.919  -0.702 -10.081
   80   2HG2  THR  12          2HG2      THR  12   1.672  -2.417  -9.754
   81   3HG2  THR  12          3HG2      THR  12   3.268  -1.700  -9.546
   82    H    GLY  13           H        GLY  13   3.609  -3.713  -5.415
   83   1HA   GLY  13          1HA       GLY  13   6.092  -2.505  -5.486
   84   2HA   GLY  13          2HA       GLY  13   5.828  -4.191  -5.072
   85    H    PHE  14           H        PHE  14   6.702  -1.948  -7.586
   86    HA   PHE  14           HA       PHE  14   8.028  -4.107  -9.016
   87   1HB   PHE  14          2HB       PHE  14   5.878  -4.019 -10.133
   88    HD1  PHE  14           1HD      PHE  14   7.574  -5.474 -11.332
   89    HD2  PHE  14           2HD      PHE  14   7.028  -1.343 -12.194
   90    HE1  PHE  14           1HE      PHE  14   8.665  -5.788 -13.515
   91    HE2  PHE  14           2HE      PHE  14   8.116  -1.650 -14.378
   92    HZ   PHE  14           HZ       PHE  14   8.937  -3.878 -15.040
   93    H    SER  15           H        SER  15  10.004  -3.245  -8.530
   94    HA   SER  15           HA       SER  15  10.532  -0.465  -9.291
   95   1HB   SER  15          2HB       SER  15  12.305  -2.397  -7.778
   96    HG   SER  15           HG       SER  15  10.228  -1.617  -6.783
   97    H    ARG  16           H        ARG  16  13.192  -0.513  -9.836
   98    HA   ARG  16           HA       ARG  16  13.215  -1.647 -12.493
   99   1HB   ARG  16          2HB       ARG  16  15.232   0.039 -11.003
  100   1HG   ARG  16          2HG       ARG  16  14.619   1.803 -12.573
  101   1HD   ARG  16          2HD       ARG  16  12.105   0.774 -11.285
  102    HE   ARG  16           HE       ARG  16  12.885   3.347 -12.270
  103   1HH1  ARG  16          2HH1      ARG  16  10.944   1.664  -9.920
  104   2HH1  ARG  16          1HH1      ARG  16   9.814   2.962  -9.730
  105   1HH2  ARG  16          2HH2      ARG  16  11.402   5.064 -12.030
  106   2HH2  ARG  16          1HH2      ARG  16  10.074   4.896 -10.930
  107    H    ASP  17           H        ASP  17  14.481  -2.419  -9.375
  108    HA   ASP  17           HA       ASP  17  15.443  -4.949 -10.297
  109   1HB   ASP  17          2HB       ASP  17  17.359  -3.515 -10.912
  110    H    ILE  18           H        ILE  18  13.513  -4.070  -8.419
  111    HA   ILE  18           HA       ILE  18  14.190  -3.895  -5.786
  112    HB   ILE  18           HB       ILE  18  11.880  -3.799  -6.506
  113   1HG1  ILE  18          2HG1      ILE  18  12.382  -6.048  -4.544
  114   1HG2  ILE  18          1HG2      ILE  18  12.059  -6.773  -6.971
  115   2HG2  ILE  18          2HG2      ILE  18  10.621  -5.770  -7.143
  116   3HG2  ILE  18          3HG2      ILE  18  11.989  -5.542  -8.231
  117   1HD1  ILE  18          1HD1      ILE  18  10.244  -5.520  -3.563
  118   2HD1  ILE  18          2HD1      ILE  18   9.947  -4.304  -4.805
  119   3HD1  ILE  18          3HD1      ILE  18  10.035  -6.009  -5.244
  120    H    SER  19           H        SER  19  15.498  -5.059  -4.550
  121    HA   SER  19           HA       SER  19  16.463  -7.618  -5.238
  122   1HB   SER  19          2HB       SER  19  16.515  -6.223  -2.548
  123    HG   SER  19           HG       SER  19  18.159  -6.102  -4.827
  124    HA   PRO  20           HA       PRO  20  13.448 -10.437  -3.706
  125   1HB   PRO  20          2HB       PRO  20  15.000 -12.333  -2.487
  126   1HG   PRO  20          2HG       PRO  20  17.020 -11.188  -2.497
  127   1HD   PRO  20          2HD       PRO  20  17.390  -9.353  -3.864
  128    H    ALA  21           H        ALA  21  15.846  -9.204  -1.473
  129    HA   ALA  21           HA       ALA  21  14.923 -10.114   0.955
  130   1HB   ALA  21          1HB       ALA  21  15.888  -8.104   1.943
  131   2HB   ALA  21          2HB       ALA  21  16.943  -8.755   0.689
  132   3HB   ALA  21          3HB       ALA  21  15.947  -7.339   0.355
  133    H    TYR  22           H        TYR  22  13.780  -7.309  -0.890
  134    HA   TYR  22           HA       TYR  22  11.652  -6.801   1.011
  135   1HB   TYR  22          2HB       TYR  22  12.301  -5.489  -1.636
  136    HD1  TYR  22           1HD      TYR  22  14.536  -4.804  -1.400
  137    HD2  TYR  22           2HD      TYR  22  11.810  -4.186   1.806
  138    HE1  TYR  22           1HE      TYR  22  16.217  -3.430  -0.245
  139    HE2  TYR  22           2HE      TYR  22  13.481  -2.809   2.971
  140    HH   TYR  22           HH       TYR  22  15.926  -2.520   3.007
  141    H    ARG  23           H        ARG  23  12.020  -8.047  -2.269
  142    HA   ARG  23           HA       ARG  23   9.273  -8.247  -2.887
  143   1HB   ARG  23          2HB       ARG  23  11.034  -8.318  -4.593
  144   1HG   ARG  23          2HG       ARG  23  10.296 -10.233  -5.933
  145   1HD   ARG  23          2HD       ARG  23   8.022  -8.900  -4.470
  146    HE   ARG  23           HE       ARG  23   7.800 -10.756  -6.451
  147   1HH1  ARG  23          2HH1      ARG  23   7.104  -7.355  -6.195
  148   2HH1  ARG  23          1HH1      ARG  23   5.798  -7.403  -7.330
  149   1HH2  ARG  23          2HH2      ARG  23   6.079 -10.833  -7.951
  150   2HH2  ARG  23          1HH2      ARG  23   5.213  -9.381  -8.328
  151    H    GLN  24           H        GLN  24  11.571 -10.821  -1.969
  152    HA   GLN  24           HA       GLN  24   9.914 -12.961  -1.773
  153   1HB   GLN  24          2HB       GLN  24  12.279 -13.167  -1.375
  154   1HG   GLN  24          2HG       GLN  24  10.855 -13.922   1.167
  155   1HE2  GLN  24          1HE2      GLN  24  12.717 -13.697   2.407
  156   2HE2  GLN  24          2HE2      GLN  24  14.068 -14.760   2.232
  157    H    LYS  25           H        LYS  25   9.995 -10.224   0.386
  158    HA   LYS  25           HA       LYS  25   8.635 -11.383   2.568
  159   1HB   LYS  25          2HB       LYS  25   8.924  -8.534   1.635
  160   1HG   LYS  25          2HG       LYS  25  10.039 -10.012   4.012
  161   1HD   LYS  25          2HD       LYS  25  10.544  -7.177   3.113
  162   1HE   LYS  25          2HE       LYS  25  11.676  -6.992   5.290
  163   1HZ   LYS  25          1HZ       LYS  25  13.005  -7.548   3.349
  164   2HZ   LYS  25          2HZ       LYS  25  12.744  -9.198   3.614
  165   3HZ   LYS  25          3HZ       LYS  25  13.628  -8.290   4.735
  166    H    LEU  26           H        LEU  26   7.493  -9.846  -0.387
  167    HA   LEU  26           HA       LEU  26   4.738  -9.865   0.450
  168   1HB   LEU  26          2HB       LEU  26   6.067  -9.311  -2.195
  169    HG   LEU  26           HG       LEU  26   4.624  -7.480  -0.275
  170   1HD1  LEU  26          1HD1      LEU  26   6.820  -6.308  -0.249
  171   2HD1  LEU  26          2HD1      LEU  26   6.851  -7.913   0.480
  172   3HD1  LEU  26          3HD1      LEU  26   7.503  -7.667  -1.140
  173   1HD2  LEU  26          1HD2      LEU  26   4.083  -6.922  -2.582
  174   2HD2  LEU  26          2HD2      LEU  26   5.151  -5.707  -1.879
  175   3HD2  LEU  26          3HD2      LEU  26   5.797  -6.910  -2.996
  176    H    LEU  27           H        LEU  27   6.725 -11.748  -1.804
  177    HA   LEU  27           HA       LEU  27   4.822 -13.389  -2.905
  178   1HB   LEU  27          2HB       LEU  27   7.633 -14.095  -2.071
  179    HG   LEU  27           HG       LEU  27   7.563 -12.269  -3.728
  180   1HD1  LEU  27          1HD1      LEU  27   9.407 -13.841  -3.776
  181   2HD1  LEU  27          2HD1      LEU  27   8.480 -14.927  -4.812
  182   3HD1  LEU  27          3HD1      LEU  27   8.980 -13.346  -5.414
  183   1HD2  LEU  27          1HD2      LEU  27   6.030 -14.269  -5.385
  184   2HD2  LEU  27          2HD2      LEU  27   5.427 -12.734  -4.760
  185   3HD2  LEU  27          3HD2      LEU  27   6.695 -12.751  -5.986
  186    H    SER  28           H        SER  28   6.021 -13.374   0.340
  187    HA   SER  28           HA       SER  28   5.464 -15.983   1.145
  188   1HB   SER  28          2HB       SER  28   5.232 -13.431   2.757
  189    HG   SER  28           HG       SER  28   7.338 -13.765   3.249
  190    H    LEU  29           H        LEU  29   3.352 -13.121   1.171
  191    HA   LEU  29           HA       LEU  29   1.088 -14.722   2.018
  192   1HB   LEU  29          2HB       LEU  29   1.339 -11.801   1.312
  193    HG   LEU  29           HG       LEU  29   0.912 -13.126   3.993
  194   1HD1  LEU  29          1HD1      LEU  29   3.244 -11.660   2.791
  195   2HD1  LEU  29          2HD1      LEU  29   3.056 -11.909   4.526
  196   3HD1  LEU  29          3HD1      LEU  29   3.204 -13.296   3.447
  197   1HD2  LEU  29          1HD2      LEU  29  -0.398 -11.095   3.804
  198   2HD2  LEU  29          2HD2      LEU  29   0.975 -10.838   4.881
  199   3HD2  LEU  29          3HD2      LEU  29   1.017 -10.211   3.233
  200    H    GLY  30           H        GLY  30   2.448 -13.486  -0.912
  201   1HA   GLY  30          1HA       GLY  30   1.893 -14.342  -3.044
  202   2HA   GLY  30          2HA       GLY  30   0.326 -14.829  -2.416
  203    H    MET  31           H        MET  31   1.600 -11.635  -1.843
  204    HA   MET  31           HA       MET  31  -0.604 -10.532  -3.411
  205   1HB   MET  31          2HB       MET  31   1.281  -9.166  -1.478
  206   1HG   MET  31          2HG       MET  31  -0.168 -10.732  -0.309
  207   1HE   MET  31          1HE       MET  31  -4.056 -10.932   0.158
  208   2HE   MET  31          2HE       MET  31  -2.491 -11.551   0.687
  209   3HE   MET  31          3HE       MET  31  -2.945  -9.883   1.040
  210    H    LEU  32           H        LEU  32  -0.002 -10.483  -5.509
  211    HA   LEU  32           HA       LEU  32   2.635  -9.494  -6.257
  212   1HB   LEU  32          2HB       LEU  32   0.356 -10.604  -7.893
  213    HG   LEU  32           HG       LEU  32   3.040 -11.795  -7.196
  214   1HD1  LEU  32          1HD1      LEU  32   1.581 -13.674  -6.402
  215   2HD1  LEU  32          2HD1      LEU  32   1.477 -12.192  -5.452
  216   3HD1  LEU  32          3HD1      LEU  32   0.202 -12.594  -6.602
  217   1HD2  LEU  32          1HD2      LEU  32   2.404 -13.652  -8.652
  218   2HD2  LEU  32          2HD2      LEU  32   0.954 -12.775  -9.141
  219   3HD2  LEU  32          3HD2      LEU  32   2.547 -12.147  -9.557
  220    HA   PRO  33           HA       PRO  33   1.827  -5.319  -7.386
  221   1HB   PRO  33          2HB       PRO  33   2.179  -6.208 -10.227
  222   1HG   PRO  33          2HG       PRO  33   4.344  -6.965  -9.814
  223   1HD   PRO  33          2HD       PRO  33   3.237  -8.694  -8.801
  224    H    GLY  34           H        GLY  34  -0.219  -4.686  -7.145
  225   1HA   GLY  34          1HA       GLY  34  -2.161  -3.943  -8.491
  226   2HA   GLY  34          2HA       GLY  34  -2.195  -5.569  -9.156
  227    H    SER  35           H        SER  35  -1.513  -5.093  -5.779
  228    HA   SER  35           HA       SER  35  -4.018  -6.452  -5.126
  229   1HB   SER  35          2HB       SER  35  -1.950  -7.395  -4.190
  230    HG   SER  35           HG       SER  35  -3.223  -6.195  -1.995
  231    H    SER  36           H        SER  36  -4.933  -5.729  -2.880
  232    HA   SER  36           HA       SER  36  -5.128  -2.789  -2.910
  233   1HB   SER  36          2HB       SER  36  -7.288  -4.802  -2.247
  234    HG   SER  36           HG       SER  36  -6.715  -4.335  -4.531
  235    H    PHE  37           H        PHE  37  -5.255  -1.707  -0.946
  236    HA   PHE  37           HA       PHE  37  -5.320  -3.086   1.557
  237   1HB   PHE  37          2HB       PHE  37  -3.090  -2.659   2.318
  238    HD1  PHE  37           1HD      PHE  37  -1.932  -0.694   2.672
  239    HD2  PHE  37           2HD      PHE  37  -2.649  -1.996  -1.315
  240    HE1  PHE  37           1HE      PHE  37  -0.496   1.117   1.826
  241    HE2  PHE  37           2HE      PHE  37  -1.214  -0.189  -2.169
  242    HZ   PHE  37           HZ       PHE  37  -0.135   1.371  -0.596
  243    H    HIS  38           H        HIS  38  -4.307  -1.298   3.275
  244    HA   HIS  38           HA       HIS  38  -5.373   1.325   2.512
  245   1HB   HIS  38          2HB       HIS  38  -6.095  -0.135   5.061
  246    HD1  HIS  38           1HD      HIS  38  -7.388  -2.061   4.000
  247    HD2  HIS  38           2HD      HIS  38  -8.593   1.682   2.662
  248    HE1  HIS  38           1HE      HIS  38  -9.529  -2.455   2.741
  249    HE2  HIS  38           2HE      HIS  38 -10.301  -0.159   2.046
  250    H    VAL  39           H        VAL  39  -4.712   3.058   3.970
  251    HA   VAL  39           HA       VAL  39  -2.025   2.551   5.029
  252    HB   VAL  39           HB       VAL  39  -1.808   5.049   5.005
  253   1HG1  VAL  39          1HG1      VAL  39  -2.491   3.739   2.374
  254   2HG1  VAL  39          2HG1      VAL  39  -1.557   5.222   2.571
  255   3HG1  VAL  39          3HG1      VAL  39  -0.925   3.694   3.183
  256   1HG2  VAL  39          1HG2      VAL  39  -4.348   5.006   3.388
  257   2HG2  VAL  39          2HG2      VAL  39  -4.295   5.436   5.098
  258   3HG2  VAL  39          3HG2      VAL  39  -3.420   6.410   3.917
  259    H    VAL  40           H        VAL  40  -1.571   2.712   7.148
  260    HA   VAL  40           HA       VAL  40  -3.769   3.254   8.976
  261    HB   VAL  40           HB       VAL  40  -0.969   2.272   9.549
  262   1HG1  VAL  40          1HG1      VAL  40  -1.892   1.644  11.752
  263   2HG1  VAL  40          2HG1      VAL  40  -1.893   3.388  11.485
  264   3HG1  VAL  40          3HG1      VAL  40  -3.393   2.471  11.333
  265   1HG2  VAL  40          1HG2      VAL  40  -3.569   0.747   9.475
  266   2HG2  VAL  40          2HG2      VAL  40  -2.347   0.722   8.202
  267   3HG2  VAL  40          3HG2      VAL  40  -1.969   0.086   9.804
  268    H    ARG  41           H        ARG  41  -0.444   4.434   8.437
  269    HA   ARG  41           HA       ARG  41  -1.127   7.106   9.084
  270   1HB   ARG  41          2HB       ARG  41   0.129   7.349  11.175
  271   1HG   ARG  41          2HG       ARG  41   0.349   4.345  11.118
  272   1HD   ARG  41          2HD       ARG  41   1.106   6.345  13.243
  273    HE   ARG  41           HE       ARG  41   2.374   3.971  12.805
  274   1HH1  ARG  41          2HH1      ARG  41   0.341   5.238  15.336
  275   2HH1  ARG  41          1HH1      ARG  41   1.085   4.294  16.583
  276   1HH2  ARG  41          2HH2      ARG  41   3.359   2.724  14.440
  277   2HH2  ARG  41          1HH2      ARG  41   2.800   2.865  16.073
  278    H    VAL  42           H        VAL  42   0.185   8.269   7.857
  279    HA   VAL  42           HA       VAL  42   3.041   7.682   7.790
  280    HB   VAL  42           HB       VAL  42   2.068   6.410   5.891
  281   1HG1  VAL  42          1HG1      VAL  42   0.172   7.866   5.415
  282   2HG1  VAL  42          2HG1      VAL  42   1.271   9.134   4.875
  283   3HG1  VAL  42          3HG1      VAL  42   1.158   7.622   3.974
  284   1HG2  VAL  42          1HG2      VAL  42   3.629   7.195   4.216
  285   2HG2  VAL  42          2HG2      VAL  42   3.756   8.755   5.027
  286   3HG2  VAL  42          3HG2      VAL  42   4.367   7.299   5.813
  287    H    ALA  43           H        ALA  43   4.294   9.430   6.779
  288    HA   ALA  43           HA       ALA  43   2.856  11.999   6.740
  289   1HB   ALA  43          1HB       ALA  43   4.714  13.063   7.895
  290   2HB   ALA  43          2HB       ALA  43   4.035  11.760   8.872
  291   3HB   ALA  43          3HB       ALA  43   5.549  11.514   8.002
  292    HA   PRO  44           HA       PRO  44   4.726  12.633   2.787
  293   1HB   PRO  44          2HB       PRO  44   4.916  15.489   3.548
  294   1HG   PRO  44          2HG       PRO  44   2.716  15.718   4.243
  295   1HD   PRO  44          2HD       PRO  44   3.592  14.544   6.033
  296    H    LEU  45           H        LEU  45   6.207  13.778   5.724
  297    HA   LEU  45           HA       LEU  45   8.672  14.600   4.533
  298   1HB   LEU  45          2HB       LEU  45   8.068  13.872   7.400
  299    HG   LEU  45           HG       LEU  45   6.707  15.773   6.853
  300   1HD1  LEU  45          1HD1      LEU  45   7.870  15.850   8.992
  301   2HD1  LEU  45          2HD1      LEU  45   9.240  16.658   8.228
  302   3HD1  LEU  45          3HD1      LEU  45   7.675  17.469   8.319
  303   1HD2  LEU  45          1HD2      LEU  45   9.207  16.991   5.684
  304   2HD2  LEU  45          2HD2      LEU  45   7.795  16.437   4.782
  305   3HD2  LEU  45          3HD2      LEU  45   7.658  17.812   5.879
  306    H    GLY  46           H        GLY  46   8.233  11.999   6.932
  307   1HA   GLY  46          1HA       GLY  46   9.110   9.844   5.454
  308   2HA   GLY  46          2HA       GLY  46  10.573  10.631   6.033
  309    H    ASP  47           H        ASP  47   7.742   8.814   6.914
  310    HA   ASP  47           HA       ASP  47   8.996   8.184   9.487
  311   1HB   ASP  47          2HB       ASP  47   6.099   8.975   9.113
  312    HA   PRO  48           HA       PRO  48   7.619   4.078   8.582
  313   1HB   PRO  48          2HB       PRO  48   6.982   3.315  11.253
  314   1HG   PRO  48          2HG       PRO  48   8.102   4.773  12.588
  315   1HD   PRO  48          2HD       PRO  48   6.944   6.489  11.562
  316    H    VAL  49           H        VAL  49   5.781   3.647   7.568
  317    HA   VAL  49           HA       VAL  49   3.233   4.084   8.975
  318    HB   VAL  49           HB       VAL  49   3.320   5.459   7.032
  319   1HG1  VAL  49          1HG1      VAL  49   4.155   2.987   5.524
  320   2HG1  VAL  49          2HG1      VAL  49   3.749   4.535   4.780
  321   3HG1  VAL  49          3HG1      VAL  49   5.140   4.413   5.858
  322   1HG2  VAL  49          1HG2      VAL  49   1.171   4.375   7.375
  323   2HG2  VAL  49          2HG2      VAL  49   1.483   4.575   5.652
  324   3HG2  VAL  49          3HG2      VAL  49   1.689   2.995   6.408
  325    H    HIS  50           H        HIS  50   1.762   2.461   9.134
  326    HA   HIS  50           HA       HIS  50   2.675  -0.207   8.329
  327   1HB   HIS  50          2HB       HIS  50   0.568   0.621  10.340
  328    HD1  HIS  50           1HD      HIS  50   2.755  -1.992  11.472
  329    HD2  HIS  50           2HD      HIS  50   2.897   2.161  11.395
  330    HE1  HIS  50           1HE      HIS  50   4.508  -1.348  13.156
  331    HE2  HIS  50           2HE      HIS  50   4.539   1.171  13.130
  332    H    ILE  51           H        ILE  51   1.624  -1.355   6.824
  333    HA   ILE  51           HA       ILE  51  -0.749  -0.155   5.604
  334    HB   ILE  51           HB       ILE  51  -0.349  -1.683   3.728
  335   1HG1  ILE  51          2HG1      ILE  51   2.079  -2.576   5.302
  336   1HG2  ILE  51          1HG2      ILE  51   1.773  -0.703   2.952
  337   2HG2  ILE  51          2HG2      ILE  51   0.705   0.493   3.684
  338   3HG2  ILE  51          3HG2      ILE  51   2.085  -0.128   4.590
  339   1HD1  ILE  51          1HD1      ILE  51   2.499  -2.548   2.894
  340   2HD1  ILE  51          2HD1      ILE  51   2.438  -4.188   3.539
  341   3HD1  ILE  51          3HD1      ILE  51   1.065  -3.541   2.641
  342    H    GLU  52           H        GLU  52  -2.656  -1.310   5.251
  343    HA   GLU  52           HA       GLU  52  -2.968  -3.693   6.954
  344   1HB   GLU  52          2HB       GLU  52  -4.310  -1.780   7.684
  345   1HG   GLU  52          2HG       GLU  52  -6.560  -2.736   7.619
  346    H    THR  53           H        THR  53  -3.217  -5.551   5.918
  347    HA   THR  53           HA       THR  53  -4.525  -5.531   3.279
  348    HB   THR  53           HB       THR  53  -3.007  -7.134   2.409
  349    HG1  THR  53           1HG      THR  53  -2.469  -8.536   3.955
  350   1HG2  THR  53          1HG2      THR  53  -1.420  -5.105   3.984
  351   2HG2  THR  53          2HG2      THR  53  -2.146  -4.850   2.397
  352   3HG2  THR  53          3HG2      THR  53  -0.833  -6.011   2.591
  353    H    ARG  54           H        ARG  54  -4.472  -8.301   2.877
  354    HA   ARG  54           HA       ARG  54  -6.807  -9.152   4.016
  355   1HB   ARG  54          2HB       ARG  54  -4.468 -10.799   3.061
  356   1HG   ARG  54          2HG       ARG  54  -5.433  -9.490   1.287
  357   1HD   ARG  54          2HD       ARG  54  -8.054 -10.696   2.158
  358    HE   ARG  54           HE       ARG  54  -7.485 -10.113  -0.405
  359   1HH1  ARG  54          2HH1      ARG  54  -9.477  -8.531   1.974
  360   2HH1  ARG  54          1HH1      ARG  54 -10.606  -7.923   0.811
  361   1HH2  ARG  54          2HH2      ARG  54  -8.968  -9.318  -1.944
  362   2HH2  ARG  54          1HH2      ARG  54 -10.319  -8.372  -1.416
  363    H    ARG  55           H        ARG  55  -7.069  -8.880   6.173
  364    HA   ARG  55           HA       ARG  55  -6.816  -9.167   8.413
  365   1HB   ARG  55          2HB       ARG  55  -6.192 -11.969   7.478
  366   1HG   ARG  55          2HG       ARG  55  -8.850 -10.737   8.177
  367   1HD   ARG  55          2HD       ARG  55  -9.766 -12.889   7.471
  368    HE   ARG  55           HE       ARG  55  -8.575 -12.526   9.879
  369   1HH1  ARG  55          2HH1      ARG  55  -8.939 -15.262   7.757
  370   2HH1  ARG  55          1HH1      ARG  55  -8.945 -16.422   9.042
  371   1HH2  ARG  55          2HH2      ARG  55  -8.578 -14.044  11.579
  372   2HH2  ARG  55          1HH2      ARG  55  -8.735 -15.730  11.216
  373    H    VAL  56           H        VAL  56  -4.376  -8.239   7.169
  374    HA   VAL  56           HA       VAL  56  -2.572  -8.891   9.312
  375    HB   VAL  56           HB       VAL  56  -2.156 -10.752   7.726
  376   1HG1  VAL  56          1HG1      VAL  56  -1.112  -8.623   5.868
  377   2HG1  VAL  56          2HG1      VAL  56  -1.153 -10.362   5.584
  378   3HG1  VAL  56          3HG1      VAL  56  -2.658  -9.447   5.667
  379   1HG2  VAL  56          1HG2      VAL  56  -0.391 -10.038   9.214
  380   2HG2  VAL  56          2HG2      VAL  56   0.296 -10.478   7.650
  381   3HG2  VAL  56          3HG2      VAL  56   0.098  -8.780   8.080
  382    H    SER  57           H        SER  57  -1.538  -7.098   9.847
  383    HA   SER  57           HA       SER  57  -1.347  -4.952   7.854
  384   1HB   SER  57          2HB       SER  57  -2.642  -4.375   9.851
  385    HG   SER  57           HG       SER  57  -1.712  -2.543   9.342
  386    H    LEU  58           H        LEU  58   0.577  -4.815   6.918
  387    HA   LEU  58           HA       LEU  58   2.971  -5.662   8.348
  388   1HB   LEU  58          2HB       LEU  58   2.552  -4.781   5.491
  389    HG   LEU  58           HG       LEU  58   1.633  -7.016   5.893
  390   1HD1  LEU  58          1HD1      LEU  58   4.256  -7.046   4.405
  391   2HD1  LEU  58          2HD1      LEU  58   2.964  -8.236   4.238
  392   3HD1  LEU  58          3HD1      LEU  58   2.691  -6.563   3.752
  393   1HD2  LEU  58          1HD2      LEU  58   4.402  -7.683   6.888
  394   2HD2  LEU  58          2HD2      LEU  58   2.937  -7.599   7.867
  395   3HD2  LEU  58          3HD2      LEU  58   3.095  -8.838   6.621
  396    H    VAL  59           H        VAL  59   4.977  -4.235   7.932
  397    HA   VAL  59           HA       VAL  59   4.238  -1.409   8.328
  398    HB   VAL  59           HB       VAL  59   4.959  -2.394  10.447
  399   1HG1  VAL  59          1HG1      VAL  59   6.370  -4.178   9.558
  400   2HG1  VAL  59          2HG1      VAL  59   7.551  -2.984   9.020
  401   3HG1  VAL  59          3HG1      VAL  59   7.244  -3.206  10.742
  402   1HG2  VAL  59          1HG2      VAL  59   6.745  -0.794  10.985
  403   2HG2  VAL  59          2HG2      VAL  59   6.982  -0.495   9.262
  404   3HG2  VAL  59          3HG2      VAL  59   5.458  -0.054  10.031
  405    H    LEU  60           H        LEU  60   5.263   0.052   7.108
  406    HA   LEU  60           HA       LEU  60   7.729  -0.727   5.720
  407   1HB   LEU  60          2HB       LEU  60   5.327   0.559   4.418
  408    HG   LEU  60           HG       LEU  60   5.066  -1.881   4.581
  409   1HD1  LEU  60          1HD1      LEU  60   4.217  -0.695   2.616
  410   2HD1  LEU  60          2HD1      LEU  60   5.760  -0.948   1.799
  411   3HD1  LEU  60          3HD1      LEU  60   4.744  -2.329   2.214
  412   1HD2  LEU  60          1HD2      LEU  60   7.694  -1.972   3.103
  413   2HD2  LEU  60          2HD2      LEU  60   7.412  -2.503   4.762
  414   3HD2  LEU  60          3HD2      LEU  60   6.644  -3.354   3.421
  415    H    ARG  61           H        ARG  61   8.798   1.205   4.687
  416    HA   ARG  61           HA       ARG  61   8.361   3.620   6.313
  417   1HB   ARG  61          2HB       ARG  61  11.002   2.434   5.436
  418   1HG   ARG  61          2HG       ARG  61   9.889   2.842   8.204
  419   1HD   ARG  61          2HD       ARG  61  12.503   1.660   7.275
  420    HE   ARG  61           HE       ARG  61  11.193   1.219   9.690
  421   1HH1  ARG  61          2HH1      ARG  61  14.282   2.358   8.557
  422   2HH1  ARG  61          1HH1      ARG  61  15.144   1.810   9.955
  423   1HH2  ARG  61          2HH2      ARG  61  12.321   0.491  11.539
  424   2HH2  ARG  61          1HH2      ARG  61  14.031   0.746  11.648
  425    H    LYS  62           H        LYS  62   8.692   5.610   5.292
  426    HA   LYS  62           HA       LYS  62   7.899   5.858   2.673
  427   1HB   LYS  62          2HB       LYS  62   7.906   7.717   4.285
  428   1HG   LYS  62          2HG       LYS  62   9.185   9.442   2.755
  429   1HD   LYS  62          2HD       LYS  62   6.773   9.348   2.932
  430   1HE   LYS  62          2HE       LYS  62   7.011   6.998   1.062
  431   1HZ   LYS  62          1HZ       LYS  62   5.208   8.438   0.347
  432   2HZ   LYS  62          2HZ       LYS  62   4.563   8.453   1.910
  433   3HZ   LYS  62          3HZ       LYS  62   4.595   7.014   1.025
  434    H    LYS  63           H        LYS  63  11.047   5.128   3.891
  435    HA   LYS  63           HA       LYS  63  12.441   5.798   1.462
  436   1HB   LYS  63          2HB       LYS  63  14.380   4.743   2.552
  437   1HG   LYS  63          2HG       LYS  63  12.510   4.139   4.832
  438   1HD   LYS  63          2HD       LYS  63  14.764   4.815   5.536
  439   1HE   LYS  63          2HE       LYS  63  15.666   2.509   3.816
  440   1HZ   LYS  63          1HZ       LYS  63  17.874   3.097   4.566
  441   2HZ   LYS  63          2HZ       LYS  63  16.910   2.668   5.889
  442   3HZ   LYS  63          3HZ       LYS  63  17.247   4.297   5.582
  443    H    ASP  64           H        ASP  64  10.916   2.987   2.853
  444    HA   ASP  64           HA       ASP  64  12.073   1.151   0.956
  445   1HB   ASP  64          2HB       ASP  64  11.473   0.395   3.218
  446    H    LEU  65           H        LEU  65   9.045   2.903   1.356
  447    HA   LEU  65           HA       LEU  65   7.570   1.596  -0.645
  448   1HB   LEU  65          2HB       LEU  65   7.406   4.351   0.542
  449    HG   LEU  65           HG       LEU  65   5.635   1.919   0.746
  450   1HD1  LEU  65          1HD1      LEU  65   7.557   2.004   2.261
  451   2HD1  LEU  65          2HD1      LEU  65   7.024   3.584   2.838
  452   3HD1  LEU  65          3HD1      LEU  65   6.027   2.158   3.127
  453   1HD2  LEU  65          1HD2      LEU  65   4.221   3.865   0.393
  454   2HD2  LEU  65          2HD2      LEU  65   4.111   3.315   2.066
  455   3HD2  LEU  65          3HD2      LEU  65   5.076   4.736   1.667
  456    H    ALA  66           H        ALA  66  10.167   3.850  -0.837
  457    HA   ALA  66           HA       ALA  66   9.713   5.112  -3.262
  458   1HB   ALA  66          1HB       ALA  66  12.107   5.442  -3.388
  459   2HB   ALA  66          2HB       ALA  66  11.563   5.652  -1.725
  460   3HB   ALA  66          3HB       ALA  66  12.373   4.161  -2.205
  461    H    LEU  67           H        LEU  67  10.846   1.857  -2.603
  462    HA   LEU  67           HA       LEU  67  11.570   1.309  -5.328
  463   1HB   LEU  67          2HB       LEU  67  11.129  -0.553  -2.993
  464    HG   LEU  67           HG       LEU  67  13.052   0.912  -2.591
  465   1HD1  LEU  67          1HD1      LEU  67  13.163  -1.394  -1.830
  466   2HD1  LEU  67          2HD1      LEU  67  13.822  -1.893  -3.387
  467   3HD1  LEU  67          3HD1      LEU  67  14.755  -0.829  -2.335
  468   1HD2  LEU  67          1HD2      LEU  67  14.068  -0.130  -5.233
  469   2HD2  LEU  67          2HD2      LEU  67  13.539   1.519  -4.901
  470   3HD2  LEU  67          3HD2      LEU  67  14.973   0.875  -4.102
  471    H    ILE  68           H        ILE  68   9.051  -0.105  -3.221
  472    HA   ILE  68           HA       ILE  68   7.622  -1.280  -5.359
  473    HB   ILE  68           HB       ILE  68   5.829  -1.665  -3.757
  474   1HG1  ILE  68          2HG1      ILE  68   7.416   0.143  -1.924
  475   1HG2  ILE  68          1HG2      ILE  68   7.076  -2.934  -2.086
  476   2HG2  ILE  68          2HG2      ILE  68   7.783  -3.128  -3.691
  477   3HG2  ILE  68          3HG2      ILE  68   8.548  -2.060  -2.513
  478   1HD1  ILE  68          1HD1      ILE  68   6.423  -1.654  -0.640
  479   2HD1  ILE  68          2HD1      ILE  68   5.584  -0.132  -0.337
  480   3HD1  ILE  68          3HD1      ILE  68   4.857  -1.345  -1.391
  481    H    GLU  69           H        GLU  69   5.695  -0.656  -6.365
  482    HA   GLU  69           HA       GLU  69   5.260   2.241  -6.386
  483   1HB   GLU  69          2HB       GLU  69   5.758   0.976  -8.516
  484   1HG   GLU  69          2HG       GLU  69   3.090   2.371  -8.470
  485    H    LEU  70           H        LEU  70   3.234   3.164  -6.137
  486    HA   LEU  70           HA       LEU  70   1.178   1.393  -4.991
  487   1HB   LEU  70          2HB       LEU  70   1.835   4.263  -4.322
  488    HG   LEU  70           HG       LEU  70   1.988   3.366  -1.972
  489   1HD1  LEU  70          1HD1      LEU  70   2.159   0.718  -3.398
  490   2HD1  LEU  70          2HD1      LEU  70   2.422   0.998  -1.678
  491   3HD1  LEU  70          3HD1      LEU  70   0.823   1.250  -2.378
  492   1HD2  LEU  70          1HD2      LEU  70   4.277   2.654  -2.200
  493   2HD2  LEU  70          2HD2      LEU  70   4.029   2.278  -3.903
  494   3HD2  LEU  70          3HD2      LEU  70   3.958   3.950  -3.352
  495    H    GLU  71           H        GLU  71  -1.011   1.840  -5.473
  496    HA   GLU  71           HA       GLU  71  -1.451   3.691  -7.716
  497   1HB   GLU  71          2HB       GLU  71  -1.317   1.395  -8.581
  498   1HG   GLU  71          2HG       GLU  71  -3.523   1.191  -9.645
  499    H    ALA  72           H        ALA  72  -3.535   4.604  -7.863
  500    HA   ALA  72           HA       ALA  72  -4.855   4.866  -5.299
  501   1HB   ALA  72          1HB       ALA  72  -5.482   6.214  -7.923
  502   2HB   ALA  72          2HB       ALA  72  -6.108   6.662  -6.336
  503   3HB   ALA  72          3HB       ALA  72  -4.390   6.843  -6.689
  504    H    VAL  73           H        VAL  73  -7.340   5.005  -5.375
  505    HA   VAL  73           HA       VAL  73  -8.309   2.433  -6.206
  506    HB   VAL  73           HB       VAL  73 -10.420   3.086  -5.174
  507   1HG1  VAL  73          1HG1      VAL  73  -8.658   2.236  -3.732
  508   2HG1  VAL  73          2HG1      VAL  73  -8.022   3.867  -3.520
  509   3HG1  VAL  73          3HG1      VAL  73  -9.614   3.453  -2.886
  510   1HG2  VAL  73          1HG2      VAL  73 -10.484   5.416  -5.885
  511   2HG2  VAL  73          2HG2      VAL  73 -10.686   5.291  -4.137
  512   3HG2  VAL  73          3HG2      VAL  73  -9.135   5.793  -4.812
  513    H    ALA  74           H        ALA  74 -10.653   2.453  -7.178
  514    HA   ALA  74           HA       ALA  74 -10.938   4.448  -9.287
  515   1HB   ALA  74          1HB       ALA  74 -11.150   2.768 -11.039
  516   2HB   ALA  74          2HB       ALA  74  -9.559   2.687 -10.282
  517   3HB   ALA  74          3HB       ALA  74 -10.792   1.493  -9.875
  518    H    GLN  75           H        GLN  75 -12.265   1.388  -8.031
  519    HA   GLN  75           HA       GLN  75 -14.964   2.451  -8.487
  520   1HB   GLN  75          2HB       GLN  75 -14.008  -0.382  -8.043
  521   1HG   GLN  75          2HG       GLN  75 -15.394   0.767 -10.439
  522   1HE2  GLN  75          1HE2      GLN  75 -13.545  -0.804 -12.052
  523   2HE2  GLN  75          2HE2      GLN  75 -14.080  -2.444 -11.932
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   0.454  16.230  -3.723
    2   2H    MET   1          2H        MET   1   0.256  16.380  -5.395
    3   3H    MET   1          3H        MET   1   1.687  15.734  -4.769
    4    HA   MET   1           HA       MET   1  -1.000  14.514  -4.536
    5   1HB   MET   1          2HB       MET   1  -0.134  12.815  -6.086
    6   1HG   MET   1          2HG       MET   1   2.246  14.630  -6.399
    7   1HE   MET   1          1HE       MET   1   4.168  12.299  -8.955
    8   2HE   MET   1          2HE       MET   1   4.264  13.803  -8.038
    9   3HE   MET   1          3HE       MET   1   4.200  12.256  -7.192
   10    H    GLN   2           H        GLN   2  -1.177  12.922  -3.076
   11    HA   GLN   2           HA       GLN   2   0.962  11.289  -2.213
   12   1HB   GLN   2          2HB       GLN   2   1.125  12.095   0.121
   13   1HG   GLN   2          2HG       GLN   2  -0.239  14.585  -0.837
   14   1HE2  GLN   2          1HE2      GLN   2   1.362  15.854   0.086
   15   2HE2  GLN   2          2HE2      GLN   2   1.573  15.970   1.796
   16    H    PHE   3           H        PHE   3   0.254  10.254   0.060
   17    HA   PHE   3           HA       PHE   3  -2.614   9.638  -0.192
   18   1HB   PHE   3          2HB       PHE   3  -1.962   7.376   0.768
   19    HD1  PHE   3           1HD      PHE   3  -0.405   6.936   2.471
   20    HD2  PHE   3           2HD      PHE   3   0.926   8.318  -1.329
   21    HE1  PHE   3           1HE      PHE   3   1.916   6.424   3.102
   22    HE2  PHE   3           2HE      PHE   3   3.249   7.806  -0.705
   23    HZ   PHE   3           HZ       PHE   3   3.749   6.854   1.505
   24    H    THR   4           H        THR   4  -3.833   9.965   1.540
   25    HA   THR   4           HA       THR   4  -2.511  10.649   4.066
   26    HB   THR   4           HB       THR   4  -4.776  11.533   4.715
   27    HG1  THR   4           1HG      THR   4  -6.251  11.838   2.952
   28   1HG2  THR   4          1HG2      THR   4  -4.612  13.549   3.323
   29   2HG2  THR   4          2HG2      THR   4  -3.525  12.696   2.225
   30   3HG2  THR   4          3HG2      THR   4  -3.027  13.018   3.886
   31    HA   PRO   5           HA       PRO   5  -3.895   6.981   6.072
   32   1HB   PRO   5          2HB       PRO   5  -4.291   7.844   8.606
   33   1HG   PRO   5          2HG       PRO   5  -4.343  10.136   8.241
   34   1HD   PRO   5          2HD       PRO   5  -3.604  11.064   6.273
   35    H    ASP   6           H        ASP   6  -5.905   6.916   4.820
   36    HA   ASP   6           HA       ASP   6  -8.172   6.569   6.400
   37   1HB   ASP   6          2HB       ASP   6  -8.180   9.026   6.571
   38    H    SER   7           H        SER   7  -7.037   7.517   3.185
   39    HA   SER   7           HA       SER   7  -9.152   5.972   1.915
   40   1HB   SER   7          2HB       SER   7  -8.594   8.137   0.936
   41    HG   SER   7           HG       SER   7  -7.526   6.230  -0.842
   42    H    ALA   8           H        ALA   8  -8.641   4.384   0.246
   43    HA   ALA   8           HA       ALA   8  -6.480   2.640   1.118
   44   1HB   ALA   8          1HB       ALA   8  -8.704   1.686   0.791
   45   2HB   ALA   8          2HB       ALA   8  -8.666   2.169  -0.906
   46   3HB   ALA   8          3HB       ALA   8  -7.529   0.960  -0.306
   47    H    TRP   9           H        TRP   9  -5.288   1.425  -0.667
   48    HA   TRP   9           HA       TRP   9  -4.817   2.963  -3.085
   49   1HB   TRP   9          2HB       TRP   9  -2.542   2.427  -1.170
   50    HD1  TRP   9           HD       TRP   9  -3.171   3.811   0.934
   51    HE1  TRP   9           1HE      TRP   9  -3.725   6.287   1.359
   52    HE3  TRP   9           3HE      TRP   9  -3.637   5.377  -3.908
   53    HZ2  TRP   9           2HZ      TRP   9  -4.282   8.602  -0.159
   54    HZ3  TRP   9           3HZ      TRP   9  -4.182   7.740  -4.337
   55    HH2  TRP   9           HH       TRP   9  -4.499   9.316  -2.500
   56    H    LYS  10           H        LYS  10  -3.558   1.828  -4.663
   57    HA   LYS  10           HA       LYS  10  -3.749  -1.064  -4.324
   58   1HB   LYS  10          2HB       LYS  10  -3.298   0.631  -6.782
   59   1HG   LYS  10          2HG       LYS  10  -5.604   0.687  -5.902
   60   1HD   LYS  10          2HD       LYS  10  -5.675  -1.518  -4.858
   61   1HE   LYS  10          2HE       LYS  10  -5.610  -2.552  -7.690
   62   1HZ   LYS  10          1HZ       LYS  10  -5.953  -4.017  -5.129
   63   2HZ   LYS  10          2HZ       LYS  10  -5.741  -4.733  -6.646
   64   3HZ   LYS  10          3HZ       LYS  10  -7.133  -3.825  -6.327
   65    H    ILE  11           H        ILE  11  -2.031  -2.374  -4.161
   66    HA   ILE  11           HA       ILE  11   0.597  -1.196  -3.956
   67    HB   ILE  11           HB       ILE  11  -0.262  -4.076  -3.647
   68   1HG1  ILE  11          2HG1      ILE  11   0.196  -1.878  -1.623
   69   1HG2  ILE  11          1HG2      ILE  11   2.089  -3.921  -4.193
   70   2HG2  ILE  11          2HG2      ILE  11   2.329  -2.710  -2.933
   71   3HG2  ILE  11          3HG2      ILE  11   1.896  -4.362  -2.496
   72   1HD1  ILE  11          1HD1      ILE  11  -0.378  -4.783  -1.101
   73   2HD1  ILE  11          2HD1      ILE  11   1.138  -3.951  -0.756
   74   3HD1  ILE  11          3HD1      ILE  11  -0.334  -3.496   0.104
   75    H    THR  12           H        THR  12   2.059  -1.118  -5.512
   76    HA   THR  12           HA       THR  12   1.943  -3.079  -7.696
   77    HB   THR  12           HB       THR  12   2.627  -1.251  -9.280
   78    HG1  THR  12           1HG      THR  12   1.834   0.394  -7.089
   79   1HG2  THR  12          1HG2      THR  12   0.334  -2.082  -9.243
   80   2HG2  THR  12          2HG2      THR  12   0.356  -0.345  -9.548
   81   3HG2  THR  12          3HG2      THR  12  -0.068  -0.952  -7.948
   82    H    GLY  13           H        GLY  13   3.584  -3.720  -5.841
   83   1HA   GLY  13          1HA       GLY  13   6.071  -2.479  -5.618
   84   2HA   GLY  13          2HA       GLY  13   5.769  -4.185  -5.333
   85    H    PHE  14           H        PHE  14   6.833  -1.797  -7.625
   86    HA   PHE  14           HA       PHE  14   8.205  -3.887  -9.125
   87   1HB   PHE  14          2HB       PHE  14   6.013  -3.475 -10.273
   88    HD1  PHE  14           1HD      PHE  14   7.060  -5.287 -11.507
   89    HD2  PHE  14           2HD      PHE  14   8.192  -1.233 -12.141
   90    HE1  PHE  14           1HE      PHE  14   8.192  -5.932 -13.595
   91    HE2  PHE  14           2HE      PHE  14   9.325  -1.871 -14.228
   92    HZ   PHE  14           HZ       PHE  14   9.307  -4.237 -14.964
   93    H    SER  15           H        SER  15  10.167  -3.134  -8.427
   94    HA   SER  15           HA       SER  15  10.822  -0.316  -8.869
   95   1HB   SER  15          2HB       SER  15  12.461  -2.450  -7.486
   96    HG   SER  15           HG       SER  15  10.609  -2.113  -6.290
   97    H    ARG  16           H        ARG  16  13.458  -0.309  -9.291
   98    HA   ARG  16           HA       ARG  16  13.654  -1.264 -12.018
   99   1HB   ARG  16          2HB       ARG  16  15.478   0.449 -10.326
  100   1HG   ARG  16          2HG       ARG  16  14.930   2.176 -12.048
  101   1HD   ARG  16          2HD       ARG  16  12.817   2.809 -11.093
  102    HE   ARG  16           HE       ARG  16  14.946   2.120  -9.443
  103   1HH1  ARG  16          2HH1      ARG  16  11.506   2.601  -9.206
  104   2HH1  ARG  16          1HH1      ARG  16  11.560   3.120  -7.555
  105   1HH2  ARG  16          2HH2      ARG  16  15.030   2.804  -7.268
  106   2HH2  ARG  16          1HH2      ARG  16  13.565   3.238  -6.452
  107    H    ASP  17           H        ASP  17  14.809  -2.126  -8.879
  108    HA   ASP  17           HA       ASP  17  15.996  -4.532  -9.920
  109   1HB   ASP  17          2HB       ASP  17  18.201  -4.116  -8.789
  110    H    ILE  18           H        ILE  18  13.802  -3.977  -8.202
  111    HA   ILE  18           HA       ILE  18  14.175  -4.049  -5.503
  112    HB   ILE  18           HB       ILE  18  11.954  -4.004  -6.434
  113   1HG1  ILE  18          2HG1      ILE  18  12.385  -6.499  -4.775
  114   1HG2  ILE  18          1HG2      ILE  18  12.361  -5.445  -8.367
  115   2HG2  ILE  18          2HG2      ILE  18  12.413  -6.852  -7.304
  116   3HG2  ILE  18          3HG2      ILE  18  10.917  -5.934  -7.482
  117   1HD1  ILE  18          1HD1      ILE  18   9.895  -4.843  -5.078
  118   2HD1  ILE  18          2HD1      ILE  18  10.133  -6.475  -5.702
  119   3HD1  ILE  18          3HD1      ILE  18  10.125  -6.189  -3.961
  120    H    SER  19           H        SER  19  15.078  -5.375  -4.067
  121    HA   SER  19           HA       SER  19  16.402  -7.766  -4.952
  122   1HB   SER  19          2HB       SER  19  16.137  -6.546  -2.192
  123    HG   SER  19           HG       SER  19  18.579  -6.392  -3.030
  124    HA   PRO  20           HA       PRO  20  13.396 -10.794  -3.852
  125   1HB   PRO  20          2HB       PRO  20  14.927 -12.827  -2.920
  126   1HG   PRO  20          2HG       PRO  20  16.921 -11.684  -2.585
  127   1HD   PRO  20          2HD       PRO  20  17.307  -9.612  -3.516
  128    H    ALA  21           H        ALA  21  15.716  -9.839  -1.404
  129    HA   ALA  21           HA       ALA  21  14.767 -11.129   0.838
  130   1HB   ALA  21          1HB       ALA  21  16.758  -9.716   0.844
  131   2HB   ALA  21          2HB       ALA  21  15.749  -8.281   0.667
  132   3HB   ALA  21          3HB       ALA  21  15.651  -9.253   2.135
  133    H    TYR  22           H        TYR  22  13.613  -8.084  -0.571
  134    HA   TYR  22           HA       TYR  22  11.427  -7.930   1.331
  135   1HB   TYR  22          2HB       TYR  22  12.126  -6.168  -1.026
  136    HD1  TYR  22           1HD      TYR  22  14.381  -5.619  -0.556
  137    HD2  TYR  22           2HD      TYR  22  11.457  -5.371   2.524
  138    HE1  TYR  22           1HE      TYR  22  15.996  -4.438   0.873
  139    HE2  TYR  22           2HE      TYR  22  13.065  -4.190   3.964
  140    HH   TYR  22           HH       TYR  22  15.953  -2.880   2.802
  141    H    ARG  23           H        ARG  23  11.930  -8.627  -2.079
  142    HA   ARG  23           HA       ARG  23   9.203  -8.727  -2.823
  143   1HB   ARG  23          2HB       ARG  23  11.036  -8.474  -4.443
  144   1HG   ARG  23          2HG       ARG  23  10.347 -10.131  -6.131
  145   1HD   ARG  23          2HD       ARG  23   7.960  -9.104  -4.614
  146    HE   ARG  23           HE       ARG  23   8.099 -10.317  -7.085
  147   1HH1  ARG  23          2HH1      ARG  23   7.014  -7.268  -5.802
  148   2HH1  ARG  23          1HH1      ARG  23   5.825  -7.024  -7.037
  149   1HH2  ARG  23          2HH2      ARG  23   6.540 -10.008  -8.717
  150   2HH2  ARG  23          1HH2      ARG  23   5.555  -8.585  -8.697
  151    H    GLN  24           H        GLN  24  11.518 -11.389  -2.269
  152    HA   GLN  24           HA       GLN  24   9.885 -13.548  -2.538
  153   1HB   GLN  24          2HB       GLN  24  12.291 -13.691  -2.066
  154   1HG   GLN  24          2HG       GLN  24  12.330 -15.573  -0.526
  155   1HE2  GLN  24          1HE2      GLN  24  12.682 -16.448  -2.568
  156   2HE2  GLN  24          2HE2      GLN  24  11.407 -17.159  -3.494
  157    H    LYS  25           H        LYS  25   9.920 -11.276   0.114
  158    HA   LYS  25           HA       LYS  25   8.391 -12.850   1.923
  159   1HB   LYS  25          2HB       LYS  25   8.867  -9.872   1.775
  160   1HG   LYS  25          2HG       LYS  25  10.867 -11.202   2.293
  161   1HD   LYS  25          2HD       LYS  25   9.296 -12.119   4.699
  162   1HE   LYS  25          2HE       LYS  25  11.272 -13.481   5.171
  163   1HZ   LYS  25          1HZ       LYS  25  11.935 -10.601   4.874
  164   2HZ   LYS  25          2HZ       LYS  25  12.756 -11.703   5.858
  165   3HZ   LYS  25          3HZ       LYS  25  11.149 -11.300   6.199
  166    H    LEU  26           H        LEU  26   7.567 -10.388  -0.480
  167    HA   LEU  26           HA       LEU  26   4.785 -10.356   0.171
  168   1HB   LEU  26          2HB       LEU  26   6.222  -9.437  -2.321
  169    HG   LEU  26           HG       LEU  26   6.938  -8.116  -0.401
  170   1HD1  LEU  26          1HD1      LEU  26   4.937  -6.669  -2.131
  171   2HD1  LEU  26          2HD1      LEU  26   6.214  -5.912  -1.178
  172   3HD1  LEU  26          3HD1      LEU  26   6.630  -6.974  -2.526
  173   1HD2  LEU  26          1HD2      LEU  26   3.996  -7.637   0.054
  174   2HD2  LEU  26          2HD2      LEU  26   5.071  -8.576   1.090
  175   3HD2  LEU  26          3HD2      LEU  26   5.314  -6.838   0.912
  176    H    LEU  27           H        LEU  27   6.652 -11.763  -2.509
  177    HA   LEU  27           HA       LEU  27   4.593 -12.979  -3.880
  178   1HB   LEU  27          2HB       LEU  27   7.402 -14.005  -3.483
  179    HG   LEU  27           HG       LEU  27   7.461 -11.787  -4.498
  180   1HD1  LEU  27          1HD1      LEU  27   7.923 -14.002  -6.490
  181   2HD1  LEU  27          2HD1      LEU  27   8.593 -12.373  -6.588
  182   3HD1  LEU  27          3HD1      LEU  27   9.065 -13.442  -5.268
  183   1HD2  LEU  27          1HD2      LEU  27   5.591 -12.947  -6.559
  184   2HD2  LEU  27          2HD2      LEU  27   5.181 -11.720  -5.361
  185   3HD2  LEU  27          3HD2      LEU  27   6.351 -11.357  -6.631
  186    H    SER  28           H        SER  28   6.281 -14.042  -0.991
  187    HA   SER  28           HA       SER  28   5.061 -16.643  -0.967
  188   1HB   SER  28          2HB       SER  28   6.572 -15.157   1.196
  189    HG   SER  28           HG       SER  28   7.609 -15.904  -0.908
  190    H    LEU  29           H        LEU  29   4.310 -13.494   0.292
  191    HA   LEU  29           HA       LEU  29   2.351 -14.446   2.179
  192   1HB   LEU  29          2HB       LEU  29   3.652 -12.336   2.476
  193    HG   LEU  29           HG       LEU  29   0.660 -11.927   2.400
  194   1HD1  LEU  29          1HD1      LEU  29   0.768 -12.443   4.786
  195   2HD1  LEU  29          2HD1      LEU  29   1.332 -13.799   3.808
  196   3HD1  LEU  29          3HD1      LEU  29   2.496 -12.767   4.640
  197   1HD2  LEU  29          1HD2      LEU  29   2.831 -10.356   3.783
  198   2HD2  LEU  29          2HD2      LEU  29   1.812  -9.798   2.456
  199   3HD2  LEU  29          3HD2      LEU  29   1.100 -10.137   4.033
  200    H    GLY  30           H        GLY  30   2.418 -13.533  -1.158
  201   1HA   GLY  30          1HA       GLY  30   0.664 -14.274  -2.618
  202   2HA   GLY  30          2HA       GLY  30  -0.475 -14.053  -1.299
  203    H    MET  31           H        MET  31   1.629 -11.446  -1.369
  204    HA   MET  31           HA       MET  31  -0.404  -9.820  -2.704
  205   1HB   MET  31          2HB       MET  31   1.792  -9.182  -0.751
  206   1HG   MET  31          2HG       MET  31   0.044  -8.187   0.565
  207   1HE   MET  31          1HE       MET  31  -2.723  -9.590   1.069
  208   2HE   MET  31          2HE       MET  31  -2.293 -10.969   2.083
  209   3HE   MET  31          3HE       MET  31  -1.557  -9.392   2.379
  210    H    LEU  32           H        LEU  32   0.031 -10.001  -4.850
  211    HA   LEU  32           HA       LEU  32   2.738  -9.310  -5.770
  212   1HB   LEU  32          2HB       LEU  32   0.443 -10.644  -7.213
  213    HG   LEU  32           HG       LEU  32   3.113 -11.760  -6.349
  214   1HD1  LEU  32          1HD1      LEU  32   1.594 -13.451  -5.235
  215   2HD1  LEU  32          2HD1      LEU  32   1.640 -11.844  -4.512
  216   3HD1  LEU  32          3HD1      LEU  32   0.278 -12.315  -5.527
  217   1HD2  LEU  32          1HD2      LEU  32   2.366 -13.836  -7.422
  218   2HD2  LEU  32          2HD2      LEU  32   0.953 -12.991  -8.054
  219   3HD2  LEU  32          3HD2      LEU  32   2.568 -12.526  -8.586
  220    HA   PRO  33           HA       PRO  33   1.914  -5.325  -7.441
  221   1HB   PRO  33          2HB       PRO  33   2.129  -6.606 -10.143
  222   1HG   PRO  33          2HG       PRO  33   4.296  -7.335  -9.727
  223   1HD   PRO  33          2HD       PRO  33   3.296  -8.874  -8.370
  224    H    GLY  34           H        GLY  34  -0.178  -4.871  -6.992
  225   1HA   GLY  34          1HA       GLY  34  -2.185  -4.202  -8.340
  226   2HA   GLY  34          2HA       GLY  34  -2.223  -5.875  -8.874
  227    H    SER  35           H        SER  35  -1.491  -4.833  -5.593
  228    HA   SER  35           HA       SER  35  -3.915  -6.235  -4.691
  229   1HB   SER  35          2HB       SER  35  -1.823  -7.188  -3.839
  230    HG   SER  35           HG       SER  35  -2.781  -7.486  -2.004
  231    H    SER  36           H        SER  36  -4.650  -5.338  -2.432
  232    HA   SER  36           HA       SER  36  -4.631  -2.396  -2.528
  233   1HB   SER  36          2HB       SER  36  -7.027  -2.412  -1.884
  234    HG   SER  36           HG       SER  36  -7.381  -5.016  -2.706
  235    H    PHE  37           H        PHE  37  -4.696  -1.325  -0.563
  236    HA   PHE  37           HA       PHE  37  -4.952  -2.836   1.900
  237   1HB   PHE  37          2HB       PHE  37  -2.783  -2.276   2.773
  238    HD1  PHE  37           1HD      PHE  37  -1.717  -0.278   3.195
  239    HD2  PHE  37           2HD      PHE  37  -2.305  -1.501  -0.837
  240    HE1  PHE  37           1HE      PHE  37  -0.379   1.636   2.425
  241    HE2  PHE  37           2HE      PHE  37  -0.966   0.411  -1.616
  242    HZ   PHE  37           HZ       PHE  37   0.017   1.968   0.012
  243    H    HIS  38           H        HIS  38  -4.690  -1.359   3.830
  244    HA   HIS  38           HA       HIS  38  -5.731   1.318   3.166
  245   1HB   HIS  38          2HB       HIS  38  -6.303  -0.405   5.589
  246    HD1  HIS  38           1HD      HIS  38  -9.001   1.528   4.025
  247    HD2  HIS  38           2HD      HIS  38  -7.442  -2.313   3.745
  248    HE1  HIS  38           1HE      HIS  38 -10.753   0.176   2.829
  249    HE2  HIS  38           2HE      HIS  38  -9.821  -2.162   2.740
  250    H    VAL  39           H        VAL  39  -4.852   3.088   4.171
  251    HA   VAL  39           HA       VAL  39  -2.235   2.735   5.326
  252    HB   VAL  39           HB       VAL  39  -3.816   5.283   4.945
  253   1HG1  VAL  39          1HG1      VAL  39  -0.868   4.840   5.404
  254   2HG1  VAL  39          2HG1      VAL  39  -1.647   6.394   5.102
  255   3HG1  VAL  39          3HG1      VAL  39  -2.012   5.496   6.576
  256   1HG2  VAL  39          1HG2      VAL  39  -2.489   5.583   2.909
  257   2HG2  VAL  39          2HG2      VAL  39  -1.749   4.001   3.158
  258   3HG2  VAL  39          3HG2      VAL  39  -3.477   4.126   2.826
  259    H    VAL  40           H        VAL  40  -1.678   2.815   7.419
  260    HA   VAL  40           HA       VAL  40  -3.806   3.100   9.391
  261    HB   VAL  40           HB       VAL  40  -0.927   2.270   9.777
  262   1HG1  VAL  40          1HG1      VAL  40  -1.915   3.191  11.802
  263   2HG1  VAL  40          2HG1      VAL  40  -3.295   2.105  11.638
  264   3HG1  VAL  40          3HG1      VAL  40  -1.689   1.450  11.956
  265   1HG2  VAL  40          1HG2      VAL  40  -2.106   0.681   8.376
  266   2HG2  VAL  40          2HG2      VAL  40  -1.847  -0.008   9.979
  267   3HG2  VAL  40          3HG2      VAL  40  -3.436   0.612   9.532
  268    H    ARG  41           H        ARG  41  -0.724   4.584   8.513
  269    HA   ARG  41           HA       ARG  41  -1.418   7.134   9.411
  270   1HB   ARG  41          2HB       ARG  41  -0.068   7.361  11.428
  271   1HG   ARG  41          2HG       ARG  41   0.374   4.389  11.226
  272   1HD   ARG  41          2HD       ARG  41   1.121   6.365  13.377
  273    HE   ARG  41           HE       ARG  41   2.557   4.139  12.756
  274   1HH1  ARG  41          2HH1      ARG  41   0.575   5.085  15.457
  275   2HH1  ARG  41          1HH1      ARG  41   1.474   4.154  16.609
  276   1HH2  ARG  41          2HH2      ARG  41   3.748   2.911  14.266
  277   2HH2  ARG  41          1HH2      ARG  41   3.278   2.920  15.933
  278    H    VAL  42           H        VAL  42  -0.224   8.409   8.167
  279    HA   VAL  42           HA       VAL  42   2.625   7.860   7.834
  280    HB   VAL  42           HB       VAL  42   1.607   6.734   5.928
  281   1HG1  VAL  42          1HG1      VAL  42   0.362   8.022   4.232
  282   2HG1  VAL  42          2HG1      VAL  42  -0.480   7.942   5.780
  283   3HG1  VAL  42          3HG1      VAL  42   0.372   9.416   5.314
  284   1HG2  VAL  42          1HG2      VAL  42   2.856   7.796   4.162
  285   2HG2  VAL  42          2HG2      VAL  42   2.898   9.316   5.056
  286   3HG2  VAL  42          3HG2      VAL  42   3.769   7.909   5.665
  287    H    ALA  43           H        ALA  43   3.804   9.686   6.900
  288    HA   ALA  43           HA       ALA  43   2.440  12.238   7.462
  289   1HB   ALA  43          1HB       ALA  43   4.253  11.757   9.024
  290   2HB   ALA  43          2HB       ALA  43   5.380  11.597   7.677
  291   3HB   ALA  43          3HB       ALA  43   4.634  13.157   8.022
  292    HA   PRO  44           HA       PRO  44   3.184  13.506   3.303
  293   1HB   PRO  44          2HB       PRO  44   3.378  16.180   3.556
  294   1HG   PRO  44          2HG       PRO  44   3.846  16.322   5.830
  295   1HD   PRO  44          2HD       PRO  44   3.464  14.560   7.256
  296    H    LEU  45           H        LEU  45   5.487  14.339   5.774
  297    HA   LEU  45           HA       LEU  45   7.479  15.332   3.942
  298   1HB   LEU  45          2HB       LEU  45   7.766  14.524   6.836
  299    HG   LEU  45           HG       LEU  45   6.166  16.344   6.733
  300   1HD1  LEU  45          1HD1      LEU  45   8.907  17.332   7.505
  301   2HD1  LEU  45          2HD1      LEU  45   7.369  18.009   8.039
  302   3HD1  LEU  45          3HD1      LEU  45   7.828  16.377   8.522
  303   1HD2  LEU  45          1HD2      LEU  45   8.243  17.791   5.093
  304   2HD2  LEU  45          2HD2      LEU  45   6.705  17.167   4.499
  305   3HD2  LEU  45          3HD2      LEU  45   6.727  18.474   5.682
  306    H    GLY  46           H        GLY  46   7.445  12.549   6.181
  307   1HA   GLY  46          1HA       GLY  46   8.042  10.515   4.474
  308   2HA   GLY  46          2HA       GLY  46   9.602  11.274   4.764
  309    H    ASP  47           H        ASP  47   7.235   9.134   5.955
  310    HA   ASP  47           HA       ASP  47   8.935   8.504   8.232
  311   1HB   ASP  47          2HB       ASP  47   6.020   9.260   8.500
  312    HA   PRO  48           HA       PRO  48   7.512   4.402   7.395
  313   1HB   PRO  48          2HB       PRO  48   7.553   3.459  10.075
  314   1HG   PRO  48          2HG       PRO  48   8.847   4.915  11.235
  315   1HD   PRO  48          2HD       PRO  48   7.467   6.638  10.584
  316    H    VAL  49           H        VAL  49   5.508   3.865   6.847
  317    HA   VAL  49           HA       VAL  49   3.367   4.154   8.849
  318    HB   VAL  49           HB       VAL  49   2.940   5.660   7.054
  319   1HG1  VAL  49          1HG1      VAL  49   3.395   3.333   5.196
  320   2HG1  VAL  49          2HG1      VAL  49   2.817   4.925   4.706
  321   3HG1  VAL  49          3HG1      VAL  49   4.432   4.746   5.394
  322   1HG2  VAL  49          1HG2      VAL  49   0.787   5.023   6.402
  323   2HG2  VAL  49          2HG2      VAL  49   1.210   3.313   6.341
  324   3HG2  VAL  49          3HG2      VAL  49   1.057   4.127   7.896
  325    H    HIS  50           H        HIS  50   1.792   2.546   9.002
  326    HA   HIS  50           HA       HIS  50   2.694  -0.092   8.099
  327   1HB   HIS  50          2HB       HIS  50   0.693   0.700  10.226
  328    HD1  HIS  50           1HD      HIS  50   2.569   2.149  11.381
  329    HD2  HIS  50           2HD      HIS  50   3.449  -1.891  10.966
  330    HE1  HIS  50           1HE      HIS  50   4.523   1.726  12.907
  331    HE2  HIS  50           2HE      HIS  50   5.032  -0.729  12.649
  332    H    ILE  51           H        ILE  51   1.340  -1.524   7.030
  333    HA   ILE  51           HA       ILE  51  -1.046  -0.299   5.813
  334    HB   ILE  51           HB       ILE  51  -0.744  -1.789   3.919
  335   1HG1  ILE  51          2HG1      ILE  51   1.744  -2.757   5.347
  336   1HG2  ILE  51          1HG2      ILE  51   1.300  -0.829   2.997
  337   2HG2  ILE  51          2HG2      ILE  51   0.380   0.382   3.890
  338   3HG2  ILE  51          3HG2      ILE  51   1.812  -0.348   4.614
  339   1HD1  ILE  51          1HD1      ILE  51   2.082  -2.713   2.943
  340   2HD1  ILE  51          2HD1      ILE  51   1.943  -4.368   3.534
  341   3HD1  ILE  51          3HD1      ILE  51   0.583  -3.610   2.707
  342    H    GLU  52           H        GLU  52  -2.979  -1.353   5.893
  343    HA   GLU  52           HA       GLU  52  -3.045  -3.811   7.506
  344   1HB   GLU  52          2HB       GLU  52  -4.253  -1.875   8.445
  345   1HG   GLU  52          2HG       GLU  52  -6.156  -4.004   7.495
  346    H    THR  53           H        THR  53  -3.805  -5.654   6.670
  347    HA   THR  53           HA       THR  53  -5.362  -5.560   4.186
  348    HB   THR  53           HB       THR  53  -4.059  -7.368   3.193
  349    HG1  THR  53           1HG      THR  53  -2.615  -8.437   4.320
  350   1HG2  THR  53          1HG2      THR  53  -2.331  -5.055   4.079
  351   2HG2  THR  53          2HG2      THR  53  -3.382  -5.090   2.664
  352   3HG2  THR  53          3HG2      THR  53  -1.971  -6.146   2.741
  353    H    ARG  54           H        ARG  54  -5.752  -8.159   3.678
  354    HA   ARG  54           HA       ARG  54  -7.730  -8.942   5.438
  355   1HB   ARG  54          2HB       ARG  54  -6.083 -10.721   3.631
  356   1HG   ARG  54          2HG       ARG  54  -7.105  -8.958   2.335
  357   1HD   ARG  54          2HD       ARG  54  -9.689  -9.833   3.620
  358    HE   ARG  54           HE       ARG  54  -9.479  -8.785   1.131
  359   1HH1  ARG  54          2HH1      ARG  54 -10.706  -7.569   4.156
  360   2HH1  ARG  54          1HH1      ARG  54 -11.892  -6.548   3.412
  361   1HH2  ARG  54          2HH2      ARG  54 -11.036  -7.447   0.142
  362   2HH2  ARG  54          1HH2      ARG  54 -12.085  -6.484   1.130
  363    H    ARG  55           H        ARG  55  -7.083  -8.868   7.567
  364    HA   ARG  55           HA       ARG  55  -6.228  -9.601   9.532
  365   1HB   ARG  55          2HB       ARG  55  -6.043 -12.227   8.048
  366   1HG   ARG  55          2HG       ARG  55  -8.302 -11.209   9.759
  367   1HD   ARG  55          2HD       ARG  55  -7.983 -13.695   8.082
  368    HE   ARG  55           HE       ARG  55 -10.364 -12.464   9.053
  369   1HH1  ARG  55          2HH1      ARG  55  -8.819 -15.539   8.521
  370   2HH1  ARG  55          1HH1      ARG  55 -10.311 -16.404   8.354
  371   1HH2  ARG  55          2HH2      ARG  55 -12.332 -13.590   8.836
  372   2HH2  ARG  55          1HH2      ARG  55 -12.309 -15.296   8.532
  373    H    VAL  56           H        VAL  56  -4.324  -8.392   7.821
  374    HA   VAL  56           HA       VAL  56  -1.910  -9.465   8.985
  375    HB   VAL  56           HB       VAL  56  -2.161  -9.336   5.977
  376   1HG1  VAL  56          1HG1      VAL  56   0.181 -10.104   7.715
  377   2HG1  VAL  56          2HG1      VAL  56   0.131 -10.193   5.955
  378   3HG1  VAL  56          3HG1      VAL  56   0.038  -8.627   6.762
  379   1HG2  VAL  56          1HG2      VAL  56  -1.724 -11.775   6.086
  380   2HG2  VAL  56          2HG2      VAL  56  -1.875 -11.691   7.841
  381   3HG2  VAL  56          3HG2      VAL  56  -3.260 -11.309   6.815
  382    H    SER  57           H        SER  57  -1.083  -7.674   9.843
  383    HA   SER  57           HA       SER  57  -1.242  -5.167   8.319
  384   1HB   SER  57          2HB       SER  57  -2.240  -5.075  10.556
  385    HG   SER  57           HG       SER  57  -0.337  -3.541  11.378
  386    H    LEU  58           H        LEU  58   0.519  -4.882   7.110
  387    HA   LEU  58           HA       LEU  58   3.130  -5.700   8.156
  388   1HB   LEU  58          2HB       LEU  58   2.522  -6.468   5.910
  389    HG   LEU  58           HG       LEU  58   4.738  -4.417   5.825
  390   1HD1  LEU  58          1HD1      LEU  58   6.203  -6.341   6.140
  391   2HD1  LEU  58          2HD1      LEU  58   5.082  -6.168   7.489
  392   3HD1  LEU  58          3HD1      LEU  58   4.798  -7.400   6.259
  393   1HD2  LEU  58          1HD2      LEU  58   5.536  -5.665   3.869
  394   2HD2  LEU  58          2HD2      LEU  58   4.077  -6.653   3.913
  395   3HD2  LEU  58          3HD2      LEU  58   3.962  -4.925   3.581
  396    H    VAL  59           H        VAL  59   4.975  -4.254   7.859
  397    HA   VAL  59           HA       VAL  59   4.197  -1.432   8.202
  398    HB   VAL  59           HB       VAL  59   5.177  -2.391  10.228
  399   1HG1  VAL  59          1HG1      VAL  59   7.588  -2.930   8.500
  400   2HG1  VAL  59          2HG1      VAL  59   7.524  -3.110  10.253
  401   3HG1  VAL  59          3HG1      VAL  59   6.528  -4.139   9.224
  402   1HG2  VAL  59          1HG2      VAL  59   5.564  -0.026   9.708
  403   2HG2  VAL  59          2HG2      VAL  59   6.917  -0.725  10.596
  404   3HG2  VAL  59          3HG2      VAL  59   7.045  -0.459   8.857
  405    H    LEU  60           H        LEU  60   5.134   0.099   6.952
  406    HA   LEU  60           HA       LEU  60   7.273  -0.762   5.120
  407   1HB   LEU  60          2HB       LEU  60   4.966   1.080   4.485
  408    HG   LEU  60           HG       LEU  60   4.200  -1.237   4.443
  409   1HD1  LEU  60          1HD1      LEU  60   3.347   0.313   2.760
  410   2HD1  LEU  60          2HD1      LEU  60   4.669  -0.127   1.680
  411   3HD1  LEU  60          3HD1      LEU  60   3.455  -1.329   2.123
  412   1HD2  LEU  60          1HD2      LEU  60   6.361  -2.335   4.169
  413   2HD2  LEU  60          2HD2      LEU  60   5.221  -2.864   2.932
  414   3HD2  LEU  60          3HD2      LEU  60   6.485  -1.701   2.528
  415    H    ARG  61           H        ARG  61   8.927   0.662   4.743
  416    HA   ARG  61           HA       ARG  61   8.944   3.063   6.440
  417   1HB   ARG  61          2HB       ARG  61  11.472   2.892   6.105
  418   1HG   ARG  61          2HG       ARG  61  11.020   1.053   4.235
  419   1HD   ARG  61          2HD       ARG  61   9.983  -0.512   5.852
  420    HE   ARG  61           HE       ARG  61  12.277  -0.005   7.424
  421   1HH1  ARG  61          2HH1      ARG  61  10.107  -2.561   6.483
  422   2HH1  ARG  61          1HH1      ARG  61  10.350  -3.477   7.933
  423   1HH2  ARG  61          2HH2      ARG  61  12.607  -1.202   9.335
  424   2HH2  ARG  61          1HH2      ARG  61  11.773  -2.705   9.554
  425    H    LYS  62           H        LYS  62   9.831   5.012   5.633
  426    HA   LYS  62           HA       LYS  62   8.941   5.868   3.193
  427   1HB   LYS  62          2HB       LYS  62  10.288   7.817   3.465
  428   1HG   LYS  62          2HG       LYS  62  12.461   6.646   3.866
  429   1HD   LYS  62          2HD       LYS  62  11.785   5.147   5.665
  430   1HE   LYS  62          2HE       LYS  62  10.161   6.525   6.810
  431   1HZ   LYS  62          1HZ       LYS  62  11.217   8.674   6.580
  432   2HZ   LYS  62          2HZ       LYS  62  12.465   8.211   7.624
  433   3HZ   LYS  62          3HZ       LYS  62  10.884   8.363   8.211
  434    H    LYS  63           H        LYS  63  11.907   4.163   3.886
  435    HA   LYS  63           HA       LYS  63  13.064   4.708   1.299
  436   1HB   LYS  63          2HB       LYS  63  14.853   3.205   1.997
  437   1HG   LYS  63          2HG       LYS  63  13.207   2.696   4.464
  438   1HD   LYS  63          2HD       LYS  63  15.554   2.924   5.015
  439   1HE   LYS  63          2HE       LYS  63  16.020   0.854   2.871
  440   1HZ   LYS  63          1HZ       LYS  63  17.932   2.186   4.714
  441   2HZ   LYS  63          2HZ       LYS  63  18.353   1.158   3.439
  442   3HZ   LYS  63          3HZ       LYS  63  17.485   0.554   4.761
  443    H    ASP  64           H        ASP  64  11.020   2.308   2.724
  444    HA   ASP  64           HA       ASP  64  11.478   0.311   0.708
  445   1HB   ASP  64          2HB       ASP  64  10.755  -0.364   2.939
  446    H    LEU  65           H        LEU  65   9.291   2.983   1.202
  447    HA   LEU  65           HA       LEU  65   7.438   2.217  -0.847
  448   1HB   LEU  65          2HB       LEU  65   7.897   4.781   0.660
  449    HG   LEU  65           HG       LEU  65   5.647   2.772   0.724
  450   1HD1  LEU  65          1HD1      LEU  65   7.572   2.204   2.103
  451   2HD1  LEU  65          2HD1      LEU  65   7.507   3.795   2.861
  452   3HD1  LEU  65          3HD1      LEU  65   6.188   2.651   3.102
  453   1HD2  LEU  65          1HD2      LEU  65   4.529   4.284   2.279
  454   2HD2  LEU  65          2HD2      LEU  65   5.794   5.488   2.029
  455   3HD2  LEU  65          3HD2      LEU  65   4.731   5.035   0.696
  456    H    ALA  66           H        ALA  66  10.478   3.835  -0.787
  457    HA   ALA  66           HA       ALA  66  10.196   5.375  -3.151
  458   1HB   ALA  66          1HB       ALA  66  12.617   5.596  -3.077
  459   2HB   ALA  66          2HB       ALA  66  11.925   5.821  -1.471
  460   3HB   ALA  66          3HB       ALA  66  12.714   4.299  -1.886
  461    H    LEU  67           H        LEU  67  11.083   2.042  -2.538
  462    HA   LEU  67           HA       LEU  67  12.000   1.590  -5.242
  463   1HB   LEU  67          2HB       LEU  67  11.473  -0.320  -2.965
  464    HG   LEU  67           HG       LEU  67  13.436   1.133  -2.565
  465   1HD1  LEU  67          1HD1      LEU  67  13.425  -1.140  -1.705
  466   2HD1  LEU  67          2HD1      LEU  67  14.087  -1.737  -3.227
  467   3HD1  LEU  67          3HD1      LEU  67  15.052  -0.674  -2.201
  468   1HD2  LEU  67          1HD2      LEU  67  14.017   1.629  -4.874
  469   2HD2  LEU  67          2HD2      LEU  67  15.394   0.917  -4.031
  470   3HD2  LEU  67          3HD2      LEU  67  14.442  -0.061  -5.148
  471    H    ILE  68           H        ILE  68   9.373   0.151  -3.294
  472    HA   ILE  68           HA       ILE  68   8.053  -0.994  -5.514
  473    HB   ILE  68           HB       ILE  68   6.170  -1.368  -4.007
  474   1HG1  ILE  68          2HG1      ILE  68   7.710   0.419  -2.114
  475   1HG2  ILE  68          1HG2      ILE  68   7.323  -2.694  -2.312
  476   2HG2  ILE  68          2HG2      ILE  68   8.087  -2.871  -3.892
  477   3HG2  ILE  68          3HG2      ILE  68   8.828  -1.843  -2.665
  478   1HD1  ILE  68          1HD1      ILE  68   5.167  -1.097  -1.593
  479   2HD1  ILE  68          2HD1      ILE  68   6.739  -1.434  -0.867
  480   3HD1  ILE  68          3HD1      ILE  68   5.916   0.086  -0.520
  481    H    GLU  69           H        GLU  69   6.060  -0.394  -6.502
  482    HA   GLU  69           HA       GLU  69   5.718   2.513  -6.636
  483   1HB   GLU  69          2HB       GLU  69   6.089   0.988  -8.694
  484   1HG   GLU  69          2HG       GLU  69   4.660   2.300 -10.134
  485    H    LEU  70           H        LEU  70   3.584   3.437  -6.681
  486    HA   LEU  70           HA       LEU  70   1.563   1.802  -5.292
  487   1HB   LEU  70          2HB       LEU  70   2.717   3.515  -3.842
  488    HG   LEU  70           HG       LEU  70  -0.244   3.984  -4.226
  489   1HD1  LEU  70          1HD1      LEU  70  -0.516   2.380  -2.407
  490   2HD1  LEU  70          2HD1      LEU  70   0.286   1.643  -3.795
  491   3HD1  LEU  70          3HD1      LEU  70   1.226   2.109  -2.380
  492   1HD2  LEU  70          1HD2      LEU  70   1.564   4.596  -1.892
  493   2HD2  LEU  70          2HD2      LEU  70   0.805   5.778  -2.959
  494   3HD2  LEU  70          3HD2      LEU  70  -0.191   4.772  -1.907
  495    H    GLU  71           H        GLU  71  -0.656   2.465  -5.645
  496    HA   GLU  71           HA       GLU  71  -1.153   4.232  -7.904
  497   1HB   GLU  71          2HB       GLU  71  -0.840   2.151  -9.049
  498   1HG   GLU  71          2HG       GLU  71  -3.794   2.591  -8.682
  499    H    ALA  72           H        ALA  72  -3.302   4.970  -8.043
  500    HA   ALA  72           HA       ALA  72  -4.688   4.974  -5.513
  501   1HB   ALA  72          1HB       ALA  72  -4.493   7.044  -6.744
  502   2HB   ALA  72          2HB       ALA  72  -5.329   6.336  -8.126
  503   3HB   ALA  72          3HB       ALA  72  -6.192   6.592  -6.609
  504    H    VAL  73           H        VAL  73  -6.684   4.136  -5.054
  505    HA   VAL  73           HA       VAL  73  -7.502   1.846  -6.557
  506    HB   VAL  73           HB       VAL  73  -9.265   1.598  -4.887
  507   1HG1  VAL  73          1HG1      VAL  73  -6.607   2.364  -3.690
  508   2HG1  VAL  73          2HG1      VAL  73  -7.849   1.400  -2.892
  509   3HG1  VAL  73          3HG1      VAL  73  -7.046   0.783  -4.337
  510   1HG2  VAL  73          1HG2      VAL  73  -9.856   3.961  -4.644
  511   2HG2  VAL  73          2HG2      VAL  73  -9.532   3.216  -3.080
  512   3HG2  VAL  73          3HG2      VAL  73  -8.323   4.260  -3.825
  513    H    ALA  74           H        ALA  74 -10.165   1.731  -6.602
  514    HA   ALA  74           HA       ALA  74 -11.456   4.069  -7.571
  515   1HB   ALA  74          1HB       ALA  74 -10.011   3.692  -9.495
  516   2HB   ALA  74          2HB       ALA  74 -10.626   2.047  -9.649
  517   3HB   ALA  74          3HB       ALA  74 -11.701   3.418  -9.916
  518    H    GLN  75           H        GLN  75 -13.417   3.736  -6.777
  519    HA   GLN  75           HA       GLN  75 -14.603   1.050  -7.030
  520   1HB   GLN  75          2HB       GLN  75 -14.276   1.692  -4.704
  521   1HG   GLN  75          2HG       GLN  75 -17.149   1.813  -5.552
  522   1HE2  GLN  75          1HE2      GLN  75 -14.899   1.832  -2.868
  523   2HE2  GLN  75          2HE2      GLN  75 -16.084   2.058  -1.632
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   1.980  13.658  -6.589
    2   2H    MET   1          2H        MET   1   3.209  13.763  -5.434
    3   3H    MET   1          3H        MET   1   1.696  14.453  -5.122
    4    HA   MET   1           HA       MET   1   0.665  12.275  -5.152
    5   1HB   MET   1          2HB       MET   1   2.043  10.274  -5.230
    6   1HG   MET   1          2HG       MET   1   4.351  12.169  -5.575
    7   1HE   MET   1          1HE       MET   1   4.990   9.935  -8.714
    8   2HE   MET   1          2HE       MET   1   3.407  10.488  -8.170
    9   3HE   MET   1          3HE       MET   1   4.793  11.573  -8.094
   10    H    GLN   2           H        GLN   2   0.059  11.853  -3.131
   11    HA   GLN   2           HA       GLN   2   2.027  11.751  -0.989
   12   1HB   GLN   2          2HB       GLN   2   1.395  14.108  -1.031
   13   1HG   GLN   2          2HG       GLN   2   0.174  12.597   1.256
   14   1HE2  GLN   2          1HE2      GLN   2   1.448  14.552   2.999
   15   2HE2  GLN   2          2HE2      GLN   2   0.426  15.944   2.992
   16    H    PHE   3           H        PHE   3   1.615   9.936   0.063
   17    HA   PHE   3           HA       PHE   3  -1.045   8.770  -0.008
   18   1HB   PHE   3          2HB       PHE   3   1.471   7.681   1.268
   19    HD1  PHE   3           1HD      PHE   3  -0.627   6.261  -1.393
   20    HD2  PHE   3           2HD      PHE   3   3.097   8.074  -0.419
   21    HE1  PHE   3           1HE      PHE   3   0.252   5.634  -3.605
   22    HE2  PHE   3           2HE      PHE   3   3.983   7.451  -2.629
   23    HZ   PHE   3           HZ       PHE   3   2.566   6.244  -4.225
   24    H    THR   4           H        THR   4  -2.370   9.834   1.381
   25    HA   THR   4           HA       THR   4  -1.450  10.252   4.137
   26    HB   THR   4           HB       THR   4  -3.538  11.644   4.356
   27    HG1  THR   4           1HG      THR   4  -4.575  12.230   2.420
   28   1HG2  THR   4          1HG2      THR   4  -1.549  12.460   2.236
   29   2HG2  THR   4          2HG2      THR   4  -1.362  12.671   3.978
   30   3HG2  THR   4          3HG2      THR   4  -2.621  13.554   3.111
   31    HA   PRO   5           HA       PRO   5  -3.998   7.006   5.680
   32   1HB   PRO   5          2HB       PRO   5  -4.540   7.901   8.174
   33   1HG   PRO   5          2HG       PRO   5  -3.956  10.135   7.922
   34   1HD   PRO   5          2HD       PRO   5  -2.696  10.863   6.140
   35    H    ASP   6           H        ASP   6  -5.798   7.269   4.278
   36    HA   ASP   6           HA       ASP   6  -8.254   7.651   5.506
   37   1HB   ASP   6          2HB       ASP   6  -9.027   9.757   4.433
   38    H    SER   7           H        SER   7  -6.410   7.828   2.519
   39    HA   SER   7           HA       SER   7  -8.691   6.690   1.055
   40   1HB   SER   7          2HB       SER   7  -7.781   8.749   0.084
   41    HG   SER   7           HG       SER   7  -7.487   7.963  -1.979
   42    H    ALA   8           H        ALA   8  -8.490   4.792  -0.102
   43    HA   ALA   8           HA       ALA   8  -6.598   2.906   0.895
   44   1HB   ALA   8          1HB       ALA   8  -8.556   2.646  -1.385
   45   2HB   ALA   8          2HB       ALA   8  -7.687   1.320  -0.613
   46   3HB   ALA   8          3HB       ALA   8  -8.874   2.250   0.303
   47    H    TRP   9           H        TRP   9  -5.290   1.507  -0.586
   48    HA   TRP   9           HA       TRP   9  -4.366   2.712  -3.047
   49   1HB   TRP   9          2HB       TRP   9  -2.396   2.324  -0.787
   50    HD1  TRP   9           HD       TRP   9  -3.314   3.941   1.053
   51    HE1  TRP   9           1HE      TRP   9  -3.720   6.480   1.146
   52    HE3  TRP   9           3HE      TRP   9  -2.829   5.023  -3.919
   53    HZ2  TRP   9           2HZ      TRP   9  -3.822   8.654  -0.650
   54    HZ3  TRP   9           3HZ      TRP   9  -3.096   7.358  -4.649
   55    HH2  TRP   9           HH       TRP   9  -3.583   9.134  -3.047
   56    H    LYS  10           H        LYS  10  -2.997   1.300  -4.281
   57    HA   LYS  10           HA       LYS  10  -3.142  -1.495  -3.370
   58   1HB   LYS  10          2HB       LYS  10  -3.326  -0.318  -6.137
   59   1HG   LYS  10          2HG       LYS  10  -5.152  -2.112  -4.557
   60   1HD   LYS  10          2HD       LYS  10  -5.162  -2.830  -6.861
   61   1HE   LYS  10          2HE       LYS  10  -5.667   0.065  -7.532
   62   1HZ   LYS  10          1HZ       LYS  10  -5.424  -2.274  -9.344
   63   2HZ   LYS  10          2HZ       LYS  10  -5.692  -0.669  -9.803
   64   3HZ   LYS  10          3HZ       LYS  10  -6.880  -1.514  -8.949
   65    H    ILE  11           H        ILE  11  -1.364  -2.774  -3.447
   66    HA   ILE  11           HA       ILE  11   1.189  -1.460  -3.633
   67    HB   ILE  11           HB       ILE  11   0.606  -4.394  -3.215
   68   1HG1  ILE  11          2HG1      ILE  11   1.047  -2.191  -1.188
   69   1HG2  ILE  11          1HG2      ILE  11   2.849  -4.448  -2.227
   70   2HG2  ILE  11          2HG2      ILE  11   2.888  -3.959  -3.921
   71   3HG2  ILE  11          3HG2      ILE  11   3.069  -2.749  -2.651
   72   1HD1  ILE  11          1HD1      ILE  11   0.547  -5.128  -0.770
   73   2HD1  ILE  11          2HD1      ILE  11   2.024  -4.246  -0.378
   74   3HD1  ILE  11          3HD1      ILE  11   0.532  -3.894   0.492
   75    H    THR  12           H        THR  12   2.413  -1.315  -5.385
   76    HA   THR  12           HA       THR  12   2.164  -3.370  -7.470
   77    HB   THR  12           HB       THR  12   2.486  -1.617  -9.205
   78    HG1  THR  12           1HG      THR  12   2.521   0.480  -8.670
   79   1HG2  THR  12          1HG2      THR  12   0.251  -2.459  -8.773
   80   2HG2  THR  12          2HG2      THR  12   0.183  -0.733  -9.126
   81   3HG2  THR  12          3HG2      THR  12   0.041  -1.298  -7.462
   82    H    GLY  13           H        GLY  13   4.058  -3.856  -5.833
   83   1HA   GLY  13          1HA       GLY  13   6.466  -2.518  -5.862
   84   2HA   GLY  13          2HA       GLY  13   6.317  -4.260  -5.709
   85    H    PHE  14           H        PHE  14   7.133  -1.631  -7.776
   86    HA   PHE  14           HA       PHE  14   8.223  -3.521  -9.711
   87   1HB   PHE  14          2HB       PHE  14   6.057  -2.996 -10.659
   88    HD1  PHE  14           1HD      PHE  14   7.460  -4.279 -12.290
   89    HD2  PHE  14           2HD      PHE  14   7.490  -0.028 -12.082
   90    HE1  PHE  14           1HE      PHE  14   8.440  -4.178 -14.545
   91    HE2  PHE  14           2HE      PHE  14   8.469   0.080 -14.336
   92    HZ   PHE  14           HZ       PHE  14   8.945  -1.997 -15.571
   93    H    SER  15           H        SER  15  10.300  -2.979  -9.219
   94    HA   SER  15           HA       SER  15  11.072  -0.163  -9.615
   95   1HB   SER  15          2HB       SER  15  12.521  -2.298  -8.029
   96    HG   SER  15           HG       SER  15  11.223  -1.718  -6.495
   97    H    ARG  16           H        ARG  16  13.047   0.259 -10.744
   98    HA   ARG  16           HA       ARG  16  13.386  -1.124 -13.111
   99   1HB   ARG  16          2HB       ARG  16  15.344   0.180 -13.482
  100   1HG   ARG  16          2HG       ARG  16  16.523  -0.342 -11.364
  101   1HD   ARG  16          2HD       ARG  16  14.707   1.799 -10.262
  102    HE   ARG  16           HE       ARG  16  17.306   1.105  -9.407
  103   1HH1  ARG  16          2HH1      ARG  16  14.104   1.715  -8.182
  104   2HH1  ARG  16          1HH1      ARG  16  14.659   2.241  -6.627
  105   1HH2  ARG  16          2HH2      ARG  16  18.047   1.796  -7.363
  106   2HH2  ARG  16          1HH2      ARG  16  16.901   2.285  -6.161
  107    H    ASP  17           H        ASP  17  14.642  -1.820  -9.967
  108    HA   ASP  17           HA       ASP  17  15.761  -4.309 -10.944
  109   1HB   ASP  17          2HB       ASP  17  17.657  -2.740 -11.094
  110    H    ILE  18           H        ILE  18  13.483  -3.778  -9.376
  111    HA   ILE  18           HA       ILE  18  13.614  -3.777  -6.671
  112    HB   ILE  18           HB       ILE  18  11.499  -3.944  -7.850
  113   1HG1  ILE  18          2HG1      ILE  18  11.942  -6.225  -5.911
  114   1HG2  ILE  18          1HG2      ILE  18  12.035  -6.866  -8.301
  115   2HG2  ILE  18          2HG2      ILE  18  10.718  -5.884  -8.937
  116   3HG2  ILE  18          3HG2      ILE  18  12.363  -5.635  -9.521
  117   1HD1  ILE  18          1HD1      ILE  18   9.590  -6.030  -5.350
  118   2HD1  ILE  18          2HD1      ILE  18   9.371  -4.835  -6.628
  119   3HD1  ILE  18          3HD1      ILE  18   9.799  -6.496  -7.038
  120    H    SER  19           H        SER  19  15.137  -4.751  -5.486
  121    HA   SER  19           HA       SER  19  16.345  -7.222  -6.079
  122   1HB   SER  19          2HB       SER  19  17.422  -5.547  -4.656
  123    HG   SER  19           HG       SER  19  18.239  -7.492  -4.169
  124    HA   PRO  20           HA       PRO  20  13.438 -10.263  -4.766
  125   1HB   PRO  20          2HB       PRO  20  15.165 -12.077  -3.601
  126   1HG   PRO  20          2HG       PRO  20  17.111 -10.831  -3.734
  127   1HD   PRO  20          2HD       PRO  20  17.282  -8.943  -5.075
  128    H    ALA  21           H        ALA  21  15.823  -9.070  -2.474
  129    HA   ALA  21           HA       ALA  21  14.909 -10.112  -0.100
  130   1HB   ALA  21          1HB       ALA  21  15.902  -7.299  -0.547
  131   2HB   ALA  21          2HB       ALA  21  15.857  -8.153   0.995
  132   3HB   ALA  21          3HB       ALA  21  16.915  -8.720  -0.298
  133    H    TYR  22           H        TYR  22  13.710  -7.239  -1.806
  134    HA   TYR  22           HA       TYR  22  11.612  -6.839   0.150
  135   1HB   TYR  22          2HB       TYR  22  12.075  -5.418  -2.481
  136    HD1  TYR  22           1HD      TYR  22  14.539  -5.349  -2.118
  137    HD2  TYR  22           2HD      TYR  22  11.804  -3.689   0.686
  138    HE1  TYR  22           1HE      TYR  22  16.367  -4.050  -1.113
  139    HE2  TYR  22           2HE      TYR  22  13.626  -2.385   1.699
  140    HH   TYR  22           HH       TYR  22  16.622  -1.962   0.229
  141    H    ARG  23           H        ARG  23  11.898  -7.889  -3.215
  142    HA   ARG  23           HA       ARG  23   9.120  -8.143  -3.701
  143   1HB   ARG  23          2HB       ARG  23  11.136  -8.074  -5.354
  144   1HG   ARG  23          2HG       ARG  23   8.969  -8.143  -6.287
  145   1HD   ARG  23          2HD       ARG  23   8.880 -11.052  -5.498
  146    HE   ARG  23           HE       ARG  23   7.524  -9.932  -7.586
  147   1HH1  ARG  23          2HH1      ARG  23   6.616 -11.295  -4.512
  148   2HH1  ARG  23          1HH1      ARG  23   5.078 -11.862  -5.073
  149   1HH2  ARG  23          2HH2      ARG  23   5.501 -10.673  -8.332
  150   2HH2  ARG  23          1HH2      ARG  23   4.444 -11.509  -7.245
  151    H    GLN  24           H        GLN  24  11.568 -10.702  -3.220
  152    HA   GLN  24           HA       GLN  24   9.810 -12.839  -3.028
  153   1HB   GLN  24          2HB       GLN  24  12.472 -12.475  -1.645
  154   1HG   GLN  24          2HG       GLN  24  12.649 -12.297  -4.075
  155   1HE2  GLN  24          1HE2      GLN  24  10.755 -12.453  -5.275
  156   2HE2  GLN  24          2HE2      GLN  24  10.228 -13.944  -5.969
  157    H    LYS  25           H        LYS  25  10.440 -10.342  -0.733
  158    HA   LYS  25           HA       LYS  25   9.670 -11.741   1.610
  159   1HB   LYS  25          2HB       LYS  25  10.969  -9.770   1.876
  160   1HG   LYS  25          2HG       LYS  25   8.175  -8.988   2.650
  161   1HD   LYS  25          2HD       LYS  25   9.246  -7.657   4.374
  162   1HE   LYS  25          2HE       LYS  25  10.311  -5.940   2.994
  163   1HZ   LYS  25          1HZ       LYS  25   8.530  -5.634   1.388
  164   2HZ   LYS  25          2HZ       LYS  25   7.909  -6.107   2.887
  165   3HZ   LYS  25          3HZ       LYS  25   8.011  -7.227   1.625
  166    H    LEU  26           H        LEU  26   7.925  -9.682  -0.686
  167    HA   LEU  26           HA       LEU  26   5.494  -9.462   0.603
  168   1HB   LEU  26          2HB       LEU  26   6.022  -9.801  -2.350
  169    HG   LEU  26           HG       LEU  26   7.101  -7.784  -1.355
  170   1HD1  LEU  26          1HD1      LEU  26   4.784  -7.285  -3.217
  171   2HD1  LEU  26          2HD1      LEU  26   6.143  -6.191  -2.959
  172   3HD1  LEU  26          3HD1      LEU  26   6.413  -7.780  -3.678
  173   1HD2  LEU  26          1HD2      LEU  26   5.697  -5.975  -0.540
  174   2HD2  LEU  26          2HD2      LEU  26   4.261  -6.981  -0.734
  175   3HD2  LEU  26          3HD2      LEU  26   5.488  -7.416   0.454
  176    H    LEU  27           H        LEU  27   6.822 -12.175  -1.179
  177    HA   LEU  27           HA       LEU  27   4.562 -13.723  -1.537
  178   1HB   LEU  27          2HB       LEU  27   7.371 -14.620  -0.899
  179    HG   LEU  27           HG       LEU  27   7.307 -13.324  -2.974
  180   1HD1  LEU  27          1HD1      LEU  27   7.551 -16.298  -3.406
  181   2HD1  LEU  27          2HD1      LEU  27   8.175 -15.054  -4.489
  182   3HD1  LEU  27          3HD1      LEU  27   8.825 -15.208  -2.856
  183   1HD2  LEU  27          1HD2      LEU  27   4.956 -13.582  -3.519
  184   2HD2  LEU  27          2HD2      LEU  27   5.961 -14.104  -4.871
  185   3HD2  LEU  27          3HD2      LEU  27   5.197 -15.302  -3.826
  186    H    SER  28           H        SER  28   6.356 -13.061   1.361
  187    HA   SER  28           HA       SER  28   5.734 -15.164   3.010
  188   1HB   SER  28          2HB       SER  28   5.782 -12.221   3.719
  189    HG   SER  28           HG       SER  28   7.720 -13.217   2.786
  190    H    LEU  29           H        LEU  29   3.667 -12.474   2.055
  191    HA   LEU  29           HA       LEU  29   1.451 -13.679   3.565
  192   1HB   LEU  29          2HB       LEU  29   1.827 -10.886   2.492
  193    HG   LEU  29           HG       LEU  29   1.481 -10.195   4.851
  194   1HD1  LEU  29          1HD1      LEU  29   0.296 -12.215   5.588
  195   2HD1  LEU  29          2HD1      LEU  29   1.793 -13.134   5.445
  196   3HD1  LEU  29          3HD1      LEU  29   1.668 -11.831   6.628
  197   1HD2  LEU  29          1HD2      LEU  29   3.744 -10.439   3.850
  198   2HD2  LEU  29          2HD2      LEU  29   3.710 -10.679   5.597
  199   3HD2  LEU  29          3HD2      LEU  29   3.819 -12.069   4.518
  200    H    GLY  30           H        GLY  30   2.631 -13.037   0.398
  201   1HA   GLY  30          1HA       GLY  30   1.782 -14.137  -1.517
  202   2HA   GLY  30          2HA       GLY  30   0.227 -14.285  -0.713
  203    H    MET  31           H        MET  31   1.759 -11.214  -0.542
  204    HA   MET  31           HA       MET  31  -0.332 -10.076  -2.208
  205   1HB   MET  31          2HB       MET  31   1.826  -8.730  -0.573
  206   1HG   MET  31          2HG       MET  31  -1.101  -9.066   0.036
  207   1HE   MET  31          1HE       MET  31   2.089  -8.710   2.288
  208   2HE   MET  31          2HE       MET  31   2.422  -7.577   0.978
  209   3HE   MET  31          3HE       MET  31   2.110  -6.976   2.608
  210    H    LEU  32           H        LEU  32   0.240 -10.593  -4.302
  211    HA   LEU  32           HA       LEU  32   2.885  -9.988  -5.296
  212   1HB   LEU  32          2HB       LEU  32   0.378 -11.006  -6.623
  213    HG   LEU  32           HG       LEU  32   3.045 -12.356  -6.187
  214   1HD1  LEU  32          1HD1      LEU  32   0.343 -12.808  -4.935
  215   2HD1  LEU  32          2HD1      LEU  32   1.710 -13.913  -4.790
  216   3HD1  LEU  32          3HD1      LEU  32   1.819 -12.283  -4.127
  217   1HD2  LEU  32          1HD2      LEU  32   1.970 -14.315  -7.169
  218   2HD2  LEU  32          2HD2      LEU  32   0.514 -13.368  -7.477
  219   3HD2  LEU  32          3HD2      LEU  32   2.016 -12.972  -8.313
  220    HA   PRO  33           HA       PRO  33   2.496  -5.895  -6.838
  221   1HB   PRO  33          2HB       PRO  33   2.886  -7.019  -9.579
  222   1HG   PRO  33          2HG       PRO  33   4.904  -8.043  -9.024
  223   1HD   PRO  33          2HD       PRO  33   3.450  -9.521  -8.025
  224    H    GLY  34           H        GLY  34   0.426  -5.230  -6.630
  225   1HA   GLY  34          1HA       GLY  34  -1.354  -4.353  -8.139
  226   2HA   GLY  34          2HA       GLY  34  -1.462  -5.988  -8.774
  227    H    SER  35           H        SER  35  -1.044  -5.226  -5.369
  228    HA   SER  35           HA       SER  35  -3.667  -6.443  -4.852
  229   1HB   SER  35          2HB       SER  35  -1.767  -7.595  -3.809
  230    HG   SER  35           HG       SER  35  -3.766  -7.441  -2.637
  231    H    SER  36           H        SER  36  -4.616  -5.618  -2.657
  232    HA   SER  36           HA       SER  36  -4.558  -2.674  -2.738
  233   1HB   SER  36          2HB       SER  36  -6.692  -3.553  -3.531
  234    HG   SER  36           HG       SER  36  -7.622  -2.011  -2.470
  235    H    PHE  37           H        PHE  37  -4.887  -1.547  -0.744
  236    HA   PHE  37           HA       PHE  37  -4.927  -2.915   1.761
  237   1HB   PHE  37          2HB       PHE  37  -2.721  -2.349   2.556
  238    HD1  PHE  37           1HD      PHE  37  -1.779  -0.222   2.771
  239    HD2  PHE  37           2HD      PHE  37  -2.103  -2.011  -1.076
  240    HE1  PHE  37           1HE      PHE  37  -0.395   1.576   1.821
  241    HE2  PHE  37           2HE      PHE  37  -0.719  -0.216  -2.031
  242    HZ   PHE  37           HZ       PHE  37   0.161   1.569  -0.567
  243    H    HIS  38           H        HIS  38  -4.529  -1.302   3.604
  244    HA   HIS  38           HA       HIS  38  -5.431   1.377   2.776
  245   1HB   HIS  38          2HB       HIS  38  -6.317  -0.091   5.267
  246    HD1  HIS  38           1HD      HIS  38  -7.953  -1.867   4.806
  247    HD2  HIS  38           2HD      HIS  38  -8.089   1.124   1.926
  248    HE1  HIS  38           1HE      HIS  38  -9.763  -2.559   3.204
  249    HE2  HIS  38           2HE      HIS  38  -9.857  -0.713   1.493
  250    H    VAL  39           H        VAL  39  -4.401   3.075   3.650
  251    HA   VAL  39           HA       VAL  39  -2.055   2.558   5.263
  252    HB   VAL  39           HB       VAL  39  -1.726   5.064   5.056
  253   1HG1  VAL  39          1HG1      VAL  39  -0.612   3.425   3.605
  254   2HG1  VAL  39          2HG1      VAL  39  -1.975   3.502   2.487
  255   3HG1  VAL  39          3HG1      VAL  39  -0.971   4.927   2.752
  256   1HG2  VAL  39          1HG2      VAL  39  -4.224   5.414   4.586
  257   2HG2  VAL  39          2HG2      VAL  39  -3.069   6.347   3.636
  258   3HG2  VAL  39          3HG2      VAL  39  -3.844   4.930   2.934
  259    H    VAL  40           H        VAL  40  -1.818   2.939   7.382
  260    HA   VAL  40           HA       VAL  40  -4.161   3.807   8.881
  261    HB   VAL  40           HB       VAL  40  -1.534   2.723   9.906
  262   1HG1  VAL  40          1HG1      VAL  40  -2.778   2.341  11.992
  263   2HG1  VAL  40          2HG1      VAL  40  -2.695   4.053  11.571
  264   3HG1  VAL  40          3HG1      VAL  40  -4.182   3.144  11.288
  265   1HG2  VAL  40          1HG2      VAL  40  -4.168   1.341   9.406
  266   2HG2  VAL  40          2HG2      VAL  40  -2.650   1.061   8.553
  267   3HG2  VAL  40          3HG2      VAL  40  -2.797   0.627  10.257
  268    H    ARG  41           H        ARG  41  -0.699   4.612   8.669
  269    HA   ARG  41           HA       ARG  41  -1.312   7.390   9.242
  270   1HB   ARG  41          2HB       ARG  41   0.267   7.554  11.104
  271   1HG   ARG  41          2HG       ARG  41   0.495   4.566  10.833
  272   1HD   ARG  41          2HD       ARG  41   0.198   5.121  13.170
  273    HE   ARG  41           HE       ARG  41   1.821   7.402  12.622
  274   1HH1  ARG  41          2HH1      ARG  41   0.919   5.120  15.092
  275   2HH1  ARG  41          1HH1      ARG  41   1.268   6.199  16.400
  276   1HH2  ARG  41          2HH2      ARG  41   2.283   8.834  14.337
  277   2HH2  ARG  41          1HH2      ARG  41   2.041   8.312  15.971
  278    H    VAL  42           H        VAL  42   0.043   8.747   8.202
  279    HA   VAL  42           HA       VAL  42   2.659   7.776   7.329
  280    HB   VAL  42           HB       VAL  42   0.775   9.076   5.365
  281   1HG1  VAL  42          1HG1      VAL  42   3.092   9.395   4.823
  282   2HG1  VAL  42          2HG1      VAL  42   3.431   7.682   5.078
  283   3HG1  VAL  42          3HG1      VAL  42   2.419   8.189   3.726
  284   1HG2  VAL  42          1HG2      VAL  42   0.434   6.890   4.371
  285   2HG2  VAL  42          2HG2      VAL  42   1.436   6.148   5.617
  286   3HG2  VAL  42          3HG2      VAL  42  -0.106   6.883   6.050
  287    H    ALA  43           H        ALA  43   4.055   9.503   6.521
  288    HA   ALA  43           HA       ALA  43   3.255  12.170   7.483
  289   1HB   ALA  43          1HB       ALA  43   5.980  10.923   7.815
  290   2HB   ALA  43          2HB       ALA  43   5.491  12.531   8.350
  291   3HB   ALA  43          3HB       ALA  43   4.775  11.099   9.092
  292    HA   PRO  44           HA       PRO  44   4.506  13.555   3.478
  293   1HB   PRO  44          2HB       PRO  44   4.959  16.172   3.998
  294   1HG   PRO  44          2HG       PRO  44   5.064  16.079   6.322
  295   1HD   PRO  44          2HD       PRO  44   4.244  14.278   7.507
  296    H    LEU  45           H        LEU  45   6.585  13.813   6.233
  297    HA   LEU  45           HA       LEU  45   8.868  14.678   4.649
  298   1HB   LEU  45          2HB       LEU  45   8.562  14.035   7.579
  299    HG   LEU  45           HG       LEU  45   7.568  16.195   6.964
  300   1HD1  LEU  45          1HD1      LEU  45  10.183  16.436   8.443
  301   2HD1  LEU  45          2HD1      LEU  45   8.852  17.592   8.507
  302   3HD1  LEU  45          3HD1      LEU  45   8.634  15.960   9.138
  303   1HD2  LEU  45          1HD2      LEU  45   8.866  16.634   4.947
  304   2HD2  LEU  45          2HD2      LEU  45   8.977  17.984   6.074
  305   3HD2  LEU  45          3HD2      LEU  45  10.319  16.853   5.919
  306    H    GLY  46           H        GLY  46   8.078  11.910   6.764
  307   1HA   GLY  46          1HA       GLY  46   8.713   9.819   5.199
  308   2HA   GLY  46          2HA       GLY  46  10.301  10.393   5.687
  309    H    ASP  47           H        ASP  47   7.543   8.586   6.578
  310    HA   ASP  47           HA       ASP  47   8.855   7.838   9.077
  311   1HB   ASP  47          2HB       ASP  47   6.033   8.879   8.852
  312    HA   PRO  48           HA       PRO  48   7.308   3.828   8.069
  313   1HB   PRO  48          2HB       PRO  48   6.840   2.960  10.740
  314   1HG   PRO  48          2HG       PRO  48   8.080   4.335  12.059
  315   1HD   PRO  48          2HD       PRO  48   6.905   6.118  11.186
  316    H    VAL  49           H        VAL  49   5.396   3.467   7.177
  317    HA   VAL  49           HA       VAL  49   2.958   3.991   8.734
  318    HB   VAL  49           HB       VAL  49   2.902   5.267   6.746
  319   1HG1  VAL  49          1HG1      VAL  49   3.275   4.272   4.504
  320   2HG1  VAL  49          2HG1      VAL  49   4.705   4.254   5.538
  321   3HG1  VAL  49          3HG1      VAL  49   3.771   2.775   5.294
  322   1HG2  VAL  49          1HG2      VAL  49   1.298   2.751   6.285
  323   2HG2  VAL  49          2HG2      VAL  49   0.778   4.193   7.157
  324   3HG2  VAL  49          3HG2      VAL  49   1.060   4.266   5.418
  325    H    HIS  50           H        HIS  50   1.187   2.492   8.540
  326    HA   HIS  50           HA       HIS  50   2.088  -0.274   8.069
  327   1HB   HIS  50          2HB       HIS  50  -0.013   0.705  10.016
  328    HD1  HIS  50           1HD      HIS  50   2.353  -1.801  11.183
  329    HD2  HIS  50           2HD      HIS  50   2.137   2.348  11.123
  330    HE1  HIS  50           1HE      HIS  50   4.057  -1.017  12.856
  331    HE2  HIS  50           2HE      HIS  50   3.928   1.500  12.785
  332    H    ILE  51           H        ILE  51   0.975  -1.491   6.663
  333    HA   ILE  51           HA       ILE  51  -1.388  -0.290   5.403
  334    HB   ILE  51           HB       ILE  51  -1.001  -1.829   3.548
  335   1HG1  ILE  51          2HG1      ILE  51   1.403  -2.756   5.135
  336   1HG2  ILE  51          1HG2      ILE  51   1.482  -0.331   4.376
  337   2HG2  ILE  51          2HG2      ILE  51   1.123  -0.896   2.743
  338   3HG2  ILE  51          3HG2      ILE  51   0.105   0.332   3.497
  339   1HD1  ILE  51          1HD1      ILE  51   1.714  -4.407   3.385
  340   2HD1  ILE  51          2HD1      ILE  51   0.392  -3.690   2.463
  341   3HD1  ILE  51          3HD1      ILE  51   1.868  -2.769   2.750
  342    H    GLU  52           H        GLU  52  -3.322  -1.367   5.237
  343    HA   GLU  52           HA       GLU  52  -3.590  -3.768   6.918
  344   1HB   GLU  52          2HB       GLU  52  -4.908  -1.881   7.701
  345   1HG   GLU  52          2HG       GLU  52  -6.686  -3.907   6.362
  346    H    THR  53           H        THR  53  -4.031  -5.642   5.965
  347    HA   THR  53           HA       THR  53  -5.370  -5.619   3.348
  348    HB   THR  53           HB       THR  53  -3.910  -7.455   2.582
  349    HG1  THR  53           1HG      THR  53  -1.871  -7.597   3.927
  350   1HG2  THR  53          1HG2      THR  53  -2.382  -5.000   3.455
  351   2HG2  THR  53          2HG2      THR  53  -3.364  -5.135   1.995
  352   3HG2  THR  53          3HG2      THR  53  -1.910  -6.118   2.174
  353    H    ARG  54           H        ARG  54  -5.649  -8.227   2.827
  354    HA   ARG  54           HA       ARG  54  -7.842  -9.094   4.136
  355   1HB   ARG  54          2HB       ARG  54  -5.651 -10.896   3.096
  356   1HG   ARG  54          2HG       ARG  54  -6.380  -9.308   1.382
  357   1HD   ARG  54          2HD       ARG  54  -9.117 -10.493   1.837
  358    HE   ARG  54           HE       ARG  54  -8.118  -9.298  -0.466
  359   1HH1  ARG  54          2HH1      ARG  54 -10.770  -8.867   1.749
  360   2HH1  ARG  54          1HH1      ARG  54 -11.826  -8.189   0.556
  361   1HH2  ARG  54          2HH2      ARG  54  -9.501  -8.405  -2.045
  362   2HH2  ARG  54          1HH2      ARG  54 -11.105  -7.925  -1.602
  363    H    ARG  55           H        ARG  55  -7.928  -8.882   6.327
  364    HA   ARG  55           HA       ARG  55  -7.518  -9.262   8.531
  365   1HB   ARG  55          2HB       ARG  55  -7.088 -12.051   7.452
  366   1HG   ARG  55          2HG       ARG  55  -9.613 -10.717   8.412
  367   1HD   ARG  55          2HD       ARG  55  -9.076 -13.535   7.486
  368    HE   ARG  55           HE       ARG  55 -11.529 -12.100   7.464
  369   1HH1  ARG  55          2HH1      ARG  55 -10.137 -15.206   8.204
  370   2HH1  ARG  55          1HH1      ARG  55 -11.600 -16.080   7.895
  371   1HH2  ARG  55          2HH2      ARG  55 -13.461 -13.240   7.058
  372   2HH2  ARG  55          1HH2      ARG  55 -13.491 -14.961   7.245
  373    H    VAL  56           H        VAL  56  -5.290  -8.099   7.597
  374    HA   VAL  56           HA       VAL  56  -3.313  -8.880   9.406
  375    HB   VAL  56           HB       VAL  56  -3.012 -10.816   7.911
  376   1HG1  VAL  56          1HG1      VAL  56  -3.698  -9.551   5.839
  377   2HG1  VAL  56          2HG1      VAL  56  -2.071  -8.871   5.822
  378   3HG1  VAL  56          3HG1      VAL  56  -2.299 -10.613   5.665
  379   1HG2  VAL  56          1HG2      VAL  56  -0.594 -10.612   7.639
  380   2HG2  VAL  56          2HG2      VAL  56  -0.711  -8.866   7.860
  381   3HG2  VAL  56          3HG2      VAL  56  -1.118  -9.953   9.188
  382    H    SER  57           H        SER  57  -2.376  -7.015   9.848
  383    HA   SER  57           HA       SER  57  -2.139  -5.004   7.725
  384   1HB   SER  57          2HB       SER  57  -3.366  -4.282   9.715
  385    HG   SER  57           HG       SER  57  -2.445  -2.407   9.584
  386    H    LEU  58           H        LEU  58  -0.230  -4.962   6.743
  387    HA   LEU  58           HA       LEU  58   2.166  -5.817   8.166
  388   1HB   LEU  58          2HB       LEU  58   1.717  -6.659   5.888
  389    HG   LEU  58           HG       LEU  58   4.164  -4.888   5.961
  390   1HD1  LEU  58          1HD1      LEU  58   5.338  -6.904   6.674
  391   2HD1  LEU  58          2HD1      LEU  58   4.084  -6.459   7.831
  392   3HD1  LEU  58          3HD1      LEU  58   3.814  -7.789   6.706
  393   1HD2  LEU  58          1HD2      LEU  58   5.047  -6.422   4.269
  394   2HD2  LEU  58          2HD2      LEU  58   3.496  -7.263   4.227
  395   3HD2  LEU  58          3HD2      LEU  58   3.604  -5.584   3.697
  396    H    VAL  59           H        VAL  59   4.170  -4.521   7.914
  397    HA   VAL  59           HA       VAL  59   3.557  -1.649   8.137
  398    HB   VAL  59           HB       VAL  59   4.385  -2.661  10.222
  399   1HG1  VAL  59          1HG1      VAL  59   5.739  -4.444   9.272
  400   2HG1  VAL  59          2HG1      VAL  59   6.870  -3.257   8.618
  401   3HG1  VAL  59          3HG1      VAL  59   6.704  -3.450  10.364
  402   1HG2  VAL  59          1HG2      VAL  59   6.209  -1.059  10.641
  403   2HG2  VAL  59          2HG2      VAL  59   6.311  -0.748   8.907
  404   3HG2  VAL  59          3HG2      VAL  59   4.848  -0.322   9.795
  405    H    LEU  60           H        LEU  60   4.885  -0.148   7.134
  406    HA   LEU  60           HA       LEU  60   7.040  -1.155   5.427
  407   1HB   LEU  60          2HB       LEU  60   4.761   0.585   4.486
  408    HG   LEU  60           HG       LEU  60   4.195  -1.803   4.392
  409   1HD1  LEU  60          1HD1      LEU  60   3.696  -1.920   1.995
  410   2HD1  LEU  60          2HD1      LEU  60   3.338  -0.329   2.664
  411   3HD1  LEU  60          3HD1      LEU  60   4.797  -0.575   1.707
  412   1HD2  LEU  60          1HD2      LEU  60   6.448  -2.721   4.299
  413   2HD2  LEU  60          2HD2      LEU  60   5.477  -3.308   2.949
  414   3HD2  LEU  60          3HD2      LEU  60   6.672  -2.037   2.689
  415    H    ARG  61           H        ARG  61   8.660   0.342   4.963
  416    HA   ARG  61           HA       ARG  61   8.590   2.756   6.636
  417   1HB   ARG  61          2HB       ARG  61  10.966   1.225   5.564
  418   1HG   ARG  61          2HG       ARG  61  10.038   1.496   8.414
  419   1HD   ARG  61          2HD       ARG  61  12.196  -0.182   7.140
  420    HE   ARG  61           HE       ARG  61  10.926  -0.534   9.631
  421   1HH1  ARG  61          2HH1      ARG  61  14.097  -0.414   8.196
  422   2HH1  ARG  61          1HH1      ARG  61  14.810  -1.469   9.372
  423   1HH2  ARG  61          2HH2      ARG  61  11.856  -1.927  11.183
  424   2HH2  ARG  61          1HH2      ARG  61  13.536  -2.329  11.068
  425    H    LYS  62           H        LYS  62   9.396   4.715   5.821
  426    HA   LYS  62           HA       LYS  62   8.576   5.487   3.324
  427   1HB   LYS  62          2HB       LYS  62   9.748   7.523   3.659
  428   1HG   LYS  62          2HG       LYS  62  12.001   6.563   4.079
  429   1HD   LYS  62          2HD       LYS  62  11.396   4.939   5.813
  430   1HE   LYS  62          2HE       LYS  62  10.902   7.394   7.490
  431   1HZ   LYS  62          1HZ       LYS  62  12.072   5.733   8.771
  432   2HZ   LYS  62          2HZ       LYS  62  10.978   4.537   8.291
  433   3HZ   LYS  62          3HZ       LYS  62  10.458   5.810   9.274
  434    H    LYS  63           H        LYS  63  11.502   3.864   4.195
  435    HA   LYS  63           HA       LYS  63  12.885   4.461   1.739
  436   1HB   LYS  63          2HB       LYS  63  14.587   2.911   2.580
  437   1HG   LYS  63          2HG       LYS  63  12.655   2.404   4.835
  438   1HD   LYS  63          2HD       LYS  63  14.926   2.695   5.682
  439   1HE   LYS  63          2HE       LYS  63  15.649   0.519   3.723
  440   1HZ   LYS  63          1HZ       LYS  63  16.828   0.296   5.817
  441   2HZ   LYS  63          2HZ       LYS  63  17.319   1.913   5.745
  442   3HZ   LYS  63          3HZ       LYS  63  17.882   0.806   4.595
  443    H    ASP  64           H        ASP  64  10.775   1.988   2.956
  444    HA   ASP  64           HA       ASP  64  11.409   0.063   0.917
  445   1HB   ASP  64          2HB       ASP  64  10.599  -0.698   3.086
  446    H    LEU  65           H        LEU  65   9.071   2.626   1.360
  447    HA   LEU  65           HA       LEU  65   7.362   1.836  -0.785
  448   1HB   LEU  65          2HB       LEU  65   7.694   4.430   0.707
  449    HG   LEU  65           HG       LEU  65   5.547   2.314   0.760
  450   1HD1  LEU  65          1HD1      LEU  65   7.281   3.523   2.911
  451   2HD1  LEU  65          2HD1      LEU  65   6.003   2.333   3.167
  452   3HD1  LEU  65          3HD1      LEU  65   7.434   1.903   2.229
  453   1HD2  LEU  65          1HD2      LEU  65   4.268   3.803   2.196
  454   2HD2  LEU  65          2HD2      LEU  65   5.469   5.075   1.974
  455   3HD2  LEU  65          3HD2      LEU  65   4.504   4.522   0.603
  456    H    ALA  66           H        ALA  66  10.370   3.495  -0.604
  457    HA   ALA  66           HA       ALA  66  10.201   5.061  -2.942
  458   1HB   ALA  66          1HB       ALA  66  12.687   3.835  -1.757
  459   2HB   ALA  66          2HB       ALA  66  12.592   5.248  -2.808
  460   3HB   ALA  66          3HB       ALA  66  11.929   5.318  -1.175
  461    H    LEU  67           H        LEU  67  10.903   1.684  -2.400
  462    HA   LEU  67           HA       LEU  67  11.807   1.262  -5.123
  463   1HB   LEU  67          2HB       LEU  67  11.266  -0.697  -2.890
  464    HG   LEU  67           HG       LEU  67  13.203   0.658  -2.329
  465   1HD1  LEU  67          1HD1      LEU  67  13.970  -2.056  -3.391
  466   2HD1  LEU  67          2HD1      LEU  67  14.901  -1.107  -2.233
  467   3HD1  LEU  67          3HD1      LEU  67  13.303  -1.707  -1.796
  468   1HD2  LEU  67          1HD2      LEU  67  14.236  -0.108  -5.057
  469   2HD2  LEU  67          2HD2      LEU  67  13.736   1.504  -4.545
  470   3HD2  LEU  67          3HD2      LEU  67  15.153   0.746  -3.815
  471    H    ILE  68           H        ILE  68   9.198  -0.158  -3.136
  472    HA   ILE  68           HA       ILE  68   7.803  -1.227  -5.350
  473    HB   ILE  68           HB       ILE  68   5.927  -1.564  -3.799
  474   1HG1  ILE  68          2HG1      ILE  68   7.633   0.021  -1.865
  475   1HG2  ILE  68          1HG2      ILE  68   7.735  -3.183  -3.816
  476   2HG2  ILE  68          2HG2      ILE  68   8.622  -2.235  -2.622
  477   3HG2  ILE  68          3HG2      ILE  68   7.094  -2.999  -2.184
  478   1HD1  ILE  68          1HD1      ILE  68   4.973  -1.297  -1.383
  479   2HD1  ILE  68          2HD1      ILE  68   6.519  -1.820  -0.713
  480   3HD1  ILE  68          3HD1      ILE  68   5.846  -0.255  -0.258
  481    H    GLU  69           H        GLU  69   5.872  -0.538  -6.353
  482    HA   GLU  69           HA       GLU  69   5.499   2.373  -6.265
  483   1HB   GLU  69          2HB       GLU  69   6.056   1.196  -8.443
  484   1HG   GLU  69          2HG       GLU  69   3.439   2.682  -8.392
  485    H    LEU  70           H        LEU  70   3.368   3.259  -6.290
  486    HA   LEU  70           HA       LEU  70   1.354   1.465  -5.104
  487   1HB   LEU  70          2HB       LEU  70   1.854   4.401  -4.622
  488    HG   LEU  70           HG       LEU  70   1.902   3.688  -2.209
  489   1HD1  LEU  70          1HD1      LEU  70   2.197   0.946  -3.420
  490   2HD1  LEU  70          2HD1      LEU  70   2.405   1.356  -1.719
  491   3HD1  LEU  70          3HD1      LEU  70   0.821   1.520  -2.478
  492   1HD2  LEU  70          1HD2      LEU  70   4.217   3.013  -2.256
  493   2HD2  LEU  70          2HD2      LEU  70   4.077   2.529  -3.943
  494   3HD2  LEU  70          3HD2      LEU  70   3.934   4.230  -3.501
  495    H    GLU  71           H        GLU  71  -0.822   1.740  -5.710
  496    HA   GLU  71           HA       GLU  71  -1.317   3.466  -8.033
  497   1HB   GLU  71          2HB       GLU  71  -0.867   1.238  -8.913
  498   1HG   GLU  71          2HG       GLU  71  -3.835   1.728  -8.960
  499    H    ALA  72           H        ALA  72  -2.836   4.838  -7.373
  500    HA   ALA  72           HA       ALA  72  -4.534   4.576  -5.216
  501   1HB   ALA  72          1HB       ALA  72  -5.851   6.383  -6.197
  502   2HB   ALA  72          2HB       ALA  72  -4.123   6.694  -6.357
  503   3HB   ALA  72          3HB       ALA  72  -5.051   6.131  -7.748
  504    H    VAL  73           H        VAL  73  -6.821   4.202  -5.067
  505    HA   VAL  73           HA       VAL  73  -7.649   1.927  -6.650
  506    HB   VAL  73           HB       VAL  73  -9.554   1.780  -5.147
  507   1HG1  VAL  73          1HG1      VAL  73  -8.352   1.446  -3.029
  508   2HG1  VAL  73          2HG1      VAL  73  -7.465   0.791  -4.407
  509   3HG1  VAL  73          3HG1      VAL  73  -6.970   2.324  -3.688
  510   1HG2  VAL  73          1HG2      VAL  73 -10.034   4.146  -4.876
  511   2HG2  VAL  73          2HG2      VAL  73  -9.831   3.382  -3.300
  512   3HG2  VAL  73          3HG2      VAL  73  -8.535   4.369  -3.975
  513    H    ALA  74           H        ALA  74  -9.882   1.810  -7.511
  514    HA   ALA  74           HA       ALA  74 -10.435   4.182  -9.099
  515   1HB   ALA  74          1HB       ALA  74 -10.340   2.024 -10.224
  516   2HB   ALA  74          2HB       ALA  74 -11.651   1.425  -9.208
  517   3HB   ALA  74          3HB       ALA  74 -11.951   2.728 -10.357
  518    H    GLN  75           H        GLN  75 -12.059   5.558  -8.729
  519    HA   GLN  75           HA       GLN  75 -13.961   4.897  -6.594
  520   1HB   GLN  75          2HB       GLN  75 -12.550   6.924  -6.312
  521   1HG   GLN  75          2HG       GLN  75 -14.321   8.540  -5.804
  522   1HE2  GLN  75          1HE2      GLN  75 -13.482   7.861  -3.830
  523   2HE2  GLN  75          2HE2      GLN  75 -14.232   6.615  -2.897
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   1.842  13.414  -5.421
    2   2H    MET   1          2H        MET   1   1.941  14.908  -4.633
    3   3H    MET   1          3H        MET   1   0.876  14.707  -5.932
    4    HA   MET   1           HA       MET   1  -0.322  14.693  -3.853
    5   1HB   MET   1          2HB       MET   1  -0.172  11.975  -5.173
    6   1HG   MET   1          2HG       MET   1  -2.034  14.267  -5.748
    7   1HE   MET   1          1HE       MET   1  -4.324  11.076  -5.962
    8   2HE   MET   1          2HE       MET   1  -3.071  11.401  -4.766
    9   3HE   MET   1          3HE       MET   1  -4.154  12.694  -5.283
   10    H    GLN   2           H        GLN   2  -0.939  13.234  -1.990
   11    HA   GLN   2           HA       GLN   2   1.427  11.921  -0.838
   12   1HB   GLN   2          2HB       GLN   2   0.870  12.888   1.352
   13   1HG   GLN   2          2HG       GLN   2  -1.224  14.406  -0.169
   14   1HE2  GLN   2          1HE2      GLN   2  -2.476  14.886   2.425
   15   2HE2  GLN   2          2HE2      GLN   2  -1.621  16.211   3.130
   16    H    PHE   3           H        PHE   3   0.826  10.557   1.099
   17    HA   PHE   3           HA       PHE   3  -1.745   9.213   0.583
   18   1HB   PHE   3          2HB       PHE   3   0.791   8.016   1.720
   19    HD1  PHE   3           1HD      PHE   3  -1.164   6.362  -0.805
   20    HD2  PHE   3           2HD      PHE   3   2.114   8.997  -0.156
   21    HE1  PHE   3           1HE      PHE   3  -0.368   5.929  -3.092
   22    HE2  PHE   3           2HE      PHE   3   2.917   8.569  -2.442
   23    HZ   PHE   3           HZ       PHE   3   1.674   7.033  -3.914
   24    H    THR   4           H        THR   4  -3.133   9.947   2.074
   25    HA   THR   4           HA       THR   4  -2.216  10.272   4.839
   26    HB   THR   4           HB       THR   4  -4.446  11.378   5.185
   27    HG1  THR   4           1HG      THR   4  -4.583  11.276   2.341
   28   1HG2  THR   4          1HG2      THR   4  -3.836  13.449   4.030
   29   2HG2  THR   4          2HG2      THR   4  -2.697  12.557   3.023
   30   3HG2  THR   4          3HG2      THR   4  -2.422  12.688   4.759
   31    HA   PRO   5           HA       PRO   5  -4.323   6.665   6.237
   32   1HB   PRO   5          2HB       PRO   5  -5.086   7.381   8.731
   33   1HG   PRO   5          2HG       PRO   5  -4.848   9.683   8.576
   34   1HD   PRO   5          2HD       PRO   5  -3.679  10.663   6.856
   35    H    ASP   6           H        ASP   6  -6.074   6.810   4.706
   36    HA   ASP   6           HA       ASP   6  -8.610   6.691   5.834
   37   1HB   ASP   6          2HB       ASP   6  -8.476   9.098   6.141
   38    H    SER   7           H        SER   7  -7.187   7.980   2.820
   39    HA   SER   7           HA       SER   7  -9.066   6.540   1.194
   40   1HB   SER   7          2HB       SER   7  -6.557   8.056   0.435
   41    HG   SER   7           HG       SER   7  -8.791   9.212  -0.383
   42    H    ALA   8           H        ALA   8  -8.810   4.639   0.152
   43    HA   ALA   8           HA       ALA   8  -6.669   2.918   1.000
   44   1HB   ALA   8          1HB       ALA   8  -7.830   1.182  -0.230
   45   2HB   ALA   8          2HB       ALA   8  -8.976   2.101   0.747
   46   3HB   ALA   8          3HB       ALA   8  -8.873   2.385  -0.991
   47    H    TRP   9           H        TRP   9  -5.308   1.702  -0.462
   48    HA   TRP   9           HA       TRP   9  -4.862   2.909  -3.090
   49   1HB   TRP   9          2HB       TRP   9  -2.659   2.516  -1.053
   50    HD1  TRP   9           HD       TRP   9  -3.742   4.212   0.720
   51    HE1  TRP   9           1HE      TRP   9  -3.942   6.778   0.728
   52    HE3  TRP   9           3HE      TRP   9  -2.793   5.111  -4.220
   53    HZ2  TRP   9           2HZ      TRP   9  -3.728   8.904  -1.120
   54    HZ3  TRP   9           3HZ      TRP   9  -2.811   7.438  -5.022
   55    HH2  TRP   9           HH       TRP   9  -3.268   9.294  -3.502
   56    H    LYS  10           H        LYS  10  -3.222   1.606  -4.361
   57    HA   LYS  10           HA       LYS  10  -3.613  -1.248  -3.760
   58   1HB   LYS  10          2HB       LYS  10  -3.349   0.190  -6.397
   59   1HG   LYS  10          2HG       LYS  10  -5.526  -1.537  -5.241
   60   1HD   LYS  10          2HD       LYS  10  -5.356  -0.261  -7.969
   61   1HE   LYS  10          2HE       LYS  10  -7.425  -2.054  -6.708
   62   1HZ   LYS  10          1HZ       LYS  10  -7.319  -0.898  -9.442
   63   2HZ   LYS  10          2HZ       LYS  10  -8.615  -1.770  -8.789
   64   3HZ   LYS  10          3HZ       LYS  10  -7.129  -2.535  -9.057
   65    H    ILE  11           H        ILE  11  -1.896  -2.599  -3.676
   66    HA   ILE  11           HA       ILE  11   0.733  -1.426  -3.546
   67    HB   ILE  11           HB       ILE  11  -0.124  -4.312  -3.267
   68   1HG1  ILE  11          2HG1      ILE  11   0.508  -2.193  -1.201
   69   1HG2  ILE  11          1HG2      ILE  11   2.082  -4.651  -2.226
   70   2HG2  ILE  11          2HG2      ILE  11   2.203  -4.178  -3.921
   71   3HG2  ILE  11          3HG2      ILE  11   2.518  -2.994  -2.649
   72   1HD1  ILE  11          1HD1      ILE  11  -0.187  -5.090  -0.797
   73   2HD1  ILE  11          2HD1      ILE  11   1.350  -4.315  -0.413
   74   3HD1  ILE  11          3HD1      ILE  11  -0.109  -3.866   0.471
   75    H    THR  12           H        THR  12   2.362  -1.598  -4.989
   76    HA   THR  12           HA       THR  12   2.083  -3.390  -7.279
   77    HB   THR  12           HB       THR  12   2.716  -0.463  -7.681
   78    HG1  THR  12           1HG      THR  12   0.261  -1.854  -8.108
   79   1HG2  THR  12          1HG2      THR  12   2.107  -2.735  -9.574
   80   2HG2  THR  12          2HG2      THR  12   3.630  -1.860  -9.415
   81   3HG2  THR  12          3HG2      THR  12   2.208  -1.043 -10.057
   82    H    GLY  13           H        GLY  13   3.790  -3.773  -5.189
   83   1HA   GLY  13          1HA       GLY  13   6.294  -2.629  -5.215
   84   2HA   GLY  13          2HA       GLY  13   5.988  -4.309  -4.804
   85    H    PHE  14           H        PHE  14   6.960  -2.092  -7.310
   86    HA   PHE  14           HA       PHE  14   8.266  -4.289  -8.709
   87   1HB   PHE  14          2HB       PHE  14   6.097  -4.094  -9.835
   88    HD1  PHE  14           1HD      PHE  14   7.314  -5.760 -11.114
   89    HD2  PHE  14           2HD      PHE  14   7.881  -1.598 -11.796
   90    HE1  PHE  14           1HE      PHE  14   8.417  -6.265 -13.256
   91    HE2  PHE  14           2HE      PHE  14   8.986  -2.095 -13.939
   92    HZ   PHE  14           HZ       PHE  14   9.258  -4.429 -14.671
   93    H    SER  15           H        SER  15  10.299  -3.574  -8.428
   94    HA   SER  15           HA       SER  15  10.909  -0.758  -8.945
   95   1HB   SER  15          2HB       SER  15  12.666  -2.937  -7.792
   96    HG   SER  15           HG       SER  15  11.527  -2.541  -6.075
   97    H    ARG  16           H        ARG  16  13.331  -0.613  -9.865
   98    HA   ARG  16           HA       ARG  16  13.131  -1.548 -12.563
   99   1HB   ARG  16          2HB       ARG  16  15.255   0.001 -11.080
  100   1HG   ARG  16          2HG       ARG  16  14.617   1.839 -12.546
  101   1HD   ARG  16          2HD       ARG  16  12.184   0.693 -11.191
  102    HE   ARG  16           HE       ARG  16  12.541   3.163 -12.434
  103   1HH1  ARG  16          2HH1      ARG  16  11.496   1.881  -9.369
  104   2HH1  ARG  16          1HH1      ARG  16  10.423   3.199  -9.037
  105   1HH2  ARG  16          2HH2      ARG  16  11.131   4.904 -12.008
  106   2HH2  ARG  16          1HH2      ARG  16  10.214   4.917 -10.539
  107    H    ASP  17           H        ASP  17  14.700  -2.623  -9.678
  108    HA   ASP  17           HA       ASP  17  15.556  -5.041 -11.000
  109   1HB   ASP  17          2HB       ASP  17  17.480  -3.542 -11.380
  110    H    ILE  18           H        ILE  18  13.622  -4.496  -9.034
  111    HA   ILE  18           HA       ILE  18  14.195  -4.697  -6.395
  112    HB   ILE  18           HB       ILE  18  11.908  -4.668  -7.261
  113   1HG1  ILE  18          2HG1      ILE  18  12.430  -7.086  -5.515
  114   1HG2  ILE  18          1HG2      ILE  18  10.857  -6.715  -8.097
  115   2HG2  ILE  18          2HG2      ILE  18  12.203  -6.213  -9.122
  116   3HG2  ILE  18          3HG2      ILE  18  12.406  -7.552  -7.992
  117   1HD1  ILE  18          1HD1      ILE  18  10.271  -6.631  -4.520
  118   2HD1  ILE  18          2HD1      ILE  18  10.007  -5.310  -5.657
  119   3HD1  ILE  18          3HD1      ILE  18  10.104  -6.971  -6.242
  120    H    SER  19           H        SER  19  15.114  -6.097  -5.031
  121    HA   SER  19           HA       SER  19  16.210  -8.568  -6.122
  122   1HB   SER  19          2HB       SER  19  16.701  -7.124  -3.507
  123    HG   SER  19           HG       SER  19  18.083  -7.324  -5.953
  124    HA   PRO  20           HA       PRO  20  13.437 -11.447  -4.292
  125   1HB   PRO  20          2HB       PRO  20  15.197 -13.091  -2.898
  126   1HG   PRO  20          2HG       PRO  20  17.152 -11.945  -3.347
  127   1HD   PRO  20          2HD       PRO  20  17.265 -10.276  -4.963
  128    H    ALA  21           H        ALA  21  15.907 -10.078  -2.176
  129    HA   ALA  21           HA       ALA  21  14.977 -10.742   0.316
  130   1HB   ALA  21          1HB       ALA  21  16.037  -8.040  -0.510
  131   2HB   ALA  21          2HB       ALA  21  15.988  -8.679   1.132
  132   3HB   ALA  21          3HB       ALA  21  17.019  -9.441  -0.081
  133    H    TYR  22           H        TYR  22  13.881  -8.057  -1.725
  134    HA   TYR  22           HA       TYR  22  11.758  -7.385   0.129
  135   1HB   TYR  22          2HB       TYR  22  12.382  -6.272  -2.616
  136    HD1  TYR  22           1HD      TYR  22  14.834  -6.287  -1.979
  137    HD2  TYR  22           2HD      TYR  22  11.906  -4.101   0.203
  138    HE1  TYR  22           1HE      TYR  22  16.610  -4.908  -0.986
  139    HE2  TYR  22           2HE      TYR  22  13.674  -2.716   1.201
  140    HH   TYR  22           HH       TYR  22  16.875  -2.709   0.048
  141    H    ARG  23           H        ARG  23  12.023  -8.560  -3.215
  142    HA   ARG  23           HA       ARG  23   9.314  -8.877  -3.757
  143   1HB   ARG  23          2HB       ARG  23  11.045  -9.037  -5.474
  144   1HG   ARG  23          2HG       ARG  23  10.345 -11.096  -6.660
  145   1HD   ARG  23          2HD       ARG  23   8.060  -9.589  -5.400
  146    HE   ARG  23           HE       ARG  23   7.826 -11.609  -7.168
  147   1HH1  ARG  23          2HH1      ARG  23   7.355  -8.165  -7.423
  148   2HH1  ARG  23          1HH1      ARG  23   6.144  -8.291  -8.655
  149   1HH2  ARG  23          2HH2      ARG  23   6.235 -11.784  -8.793
  150   2HH2  ARG  23          1HH2      ARG  23   5.508 -10.349  -9.434
  151    H    GLN  24           H        GLN  24  11.583 -11.464  -2.801
  152    HA   GLN  24           HA       GLN  24   9.810 -13.518  -2.451
  153   1HB   GLN  24          2HB       GLN  24  12.273 -13.703  -2.248
  154   1HG   GLN  24          2HG       GLN  24  10.895 -14.775   0.202
  155   1HE2  GLN  24          1HE2      GLN  24  12.780 -14.791   1.412
  156   2HE2  GLN  24          2HE2      GLN  24  14.109 -15.830   1.039
  157    H    LYS  25           H        LYS  25  10.384 -10.799  -0.324
  158    HA   LYS  25           HA       LYS  25   9.138 -11.738   1.990
  159   1HB   LYS  25          2HB       LYS  25  10.500  -9.587   1.621
  160   1HG   LYS  25          2HG       LYS  25   7.962  -9.409   3.233
  161   1HD   LYS  25          2HD       LYS  25   8.971  -7.220   2.961
  162   1HE   LYS  25          2HE       LYS  25  11.220  -7.832   2.335
  163   1HZ   LYS  25          1HZ       LYS  25  12.779  -8.675   3.957
  164   2HZ   LYS  25          2HZ       LYS  25  11.491  -9.759   3.785
  165   3HZ   LYS  25          3HZ       LYS  25  11.571  -8.748   5.139
  166    H    LEU  26           H        LEU  26   7.768  -9.699  -0.595
  167    HA   LEU  26           HA       LEU  26   5.139  -9.689   0.361
  168   1HB   LEU  26          2HB       LEU  26   6.076  -9.499  -2.504
  169    HG   LEU  26           HG       LEU  26   7.128  -7.748  -1.121
  170   1HD1  LEU  26          1HD1      LEU  26   6.531  -7.272  -3.437
  171   2HD1  LEU  26          2HD1      LEU  26   4.928  -6.746  -2.922
  172   3HD1  LEU  26          3HD1      LEU  26   6.355  -5.836  -2.427
  173   1HD2  LEU  26          1HD2      LEU  26   5.451  -7.660   0.657
  174   2HD2  LEU  26          2HD2      LEU  26   5.748  -6.064  -0.031
  175   3HD2  LEU  26          3HD2      LEU  26   4.292  -6.956  -0.472
  176    H    LEU  27           H        LEU  27   6.733 -11.844  -1.960
  177    HA   LEU  27           HA       LEU  27   4.596 -13.362  -2.779
  178   1HB   LEU  27          2HB       LEU  27   7.394 -14.332  -2.194
  179    HG   LEU  27           HG       LEU  27   7.436 -12.486  -3.816
  180   1HD1  LEU  27          1HD1      LEU  27   7.877 -15.212  -5.025
  181   2HD1  LEU  27          2HD1      LEU  27   8.524 -13.698  -5.657
  182   3HD1  LEU  27          3HD1      LEU  27   9.037 -14.285  -4.075
  183   1HD2  LEU  27          1HD2      LEU  27   6.300 -12.715  -5.967
  184   2HD2  LEU  27          2HD2      LEU  27   5.539 -14.206  -5.411
  185   3HD2  LEU  27          3HD2      LEU  27   5.144 -12.673  -4.634
  186    H    SER  28           H        SER  28   6.721 -14.029   0.004
  187    HA   SER  28           HA       SER  28   5.535 -16.320   0.949
  188   1HB   SER  28          2HB       SER  28   6.681 -14.051   2.594
  189    HG   SER  28           HG       SER  28   8.594 -14.959   2.245
  190    H    LEU  29           H        LEU  29   4.376 -13.036   1.159
  191    HA   LEU  29           HA       LEU  29   2.251 -13.787   3.007
  192   1HB   LEU  29          2HB       LEU  29   2.867 -11.128   1.718
  193    HG   LEU  29           HG       LEU  29   4.632 -11.711   3.309
  194   1HD1  LEU  29          1HD1      LEU  29   2.696  -9.669   4.390
  195   2HD1  LEU  29          2HD1      LEU  29   4.406  -9.791   4.804
  196   3HD1  LEU  29          3HD1      LEU  29   3.925  -9.387   3.157
  197   1HD2  LEU  29          1HD2      LEU  29   4.132 -12.115   5.650
  198   2HD2  LEU  29          2HD2      LEU  29   2.403 -12.010   5.319
  199   3HD2  LEU  29          3HD2      LEU  29   3.352 -13.330   4.638
  200    H    GLY  30           H        GLY  30   2.773 -13.246  -0.374
  201   1HA   GLY  30          1HA       GLY  30   1.336 -14.012  -2.070
  202   2HA   GLY  30          2HA       GLY  30   0.028 -14.079  -0.901
  203    H    MET  31           H        MET  31   2.074 -11.263  -1.328
  204    HA   MET  31           HA       MET  31  -0.266  -9.821  -2.381
  205   1HB   MET  31          2HB       MET  31   2.118  -8.680  -0.913
  206   1HG   MET  31          2HG       MET  31  -0.676  -9.144   0.109
  207   1HE   MET  31          1HE       MET  31  -1.174  -8.660   2.686
  208   2HE   MET  31          2HE       MET  31   0.297  -9.509   3.158
  209   3HE   MET  31          3HE       MET  31  -0.022  -7.889   3.776
  210    H    LEU  32           H        LEU  32   0.155 -10.308  -4.558
  211    HA   LEU  32           HA       LEU  32   2.703  -9.530  -5.709
  212   1HB   LEU  32          2HB       LEU  32   0.198 -10.722  -6.888
  213    HG   LEU  32           HG       LEU  32   2.971 -11.871  -6.555
  214   1HD1  LEU  32          1HD1      LEU  32   0.309 -12.644  -5.373
  215   2HD1  LEU  32          2HD1      LEU  32   1.791 -13.592  -5.236
  216   3HD1  LEU  32          3HD1      LEU  32   1.700 -11.988  -4.511
  217   1HD2  LEU  32          1HD2      LEU  32   2.012 -12.471  -8.722
  218   2HD2  LEU  32          2HD2      LEU  32   2.089 -13.865  -7.643
  219   3HD2  LEU  32          3HD2      LEU  32   0.551 -13.045  -7.917
  220    HA   PRO  33           HA       PRO  33   1.913  -5.476  -7.200
  221   1HB   PRO  33          2HB       PRO  33   2.064  -6.576  -9.977
  222   1HG   PRO  33          2HG       PRO  33   4.196  -7.461  -9.650
  223   1HD   PRO  33          2HD       PRO  33   2.954  -9.032  -8.513
  224    H    GLY  34           H        GLY  34  -0.096  -4.733  -6.933
  225   1HA   GLY  34          1HA       GLY  34  -2.090  -4.027  -8.166
  226   2HA   GLY  34          2HA       GLY  34  -2.171  -5.657  -8.818
  227    H    SER  35           H        SER  35  -1.388  -5.047  -5.474
  228    HA   SER  35           HA       SER  35  -3.852  -6.429  -4.703
  229   1HB   SER  35          2HB       SER  35  -1.730  -7.321  -3.820
  230    HG   SER  35           HG       SER  35  -2.618  -7.714  -1.942
  231    H    SER  36           H        SER  36  -4.969  -5.659  -2.712
  232    HA   SER  36           HA       SER  36  -5.072  -2.716  -2.707
  233   1HB   SER  36          2HB       SER  36  -7.415  -2.940  -1.993
  234    HG   SER  36           HG       SER  36  -7.068  -5.729  -2.361
  235    H    PHE  37           H        PHE  37  -5.171  -1.598  -0.770
  236    HA   PHE  37           HA       PHE  37  -5.221  -2.988   1.752
  237   1HB   PHE  37          2HB       PHE  37  -3.023  -2.404   2.507
  238    HD1  PHE  37           1HD      PHE  37  -2.045  -0.332   2.833
  239    HD2  PHE  37           2HD      PHE  37  -2.599  -1.777  -1.130
  240    HE1  PHE  37           1HE      PHE  37  -0.745   1.567   1.963
  241    HE2  PHE  37           2HE      PHE  37  -1.297   0.118  -2.008
  242    HZ   PHE  37           HZ       PHE  37  -0.369   1.794  -0.460
  243    H    HIS  38           H        HIS  38  -4.828  -1.377   3.591
  244    HA   HIS  38           HA       HIS  38  -5.901   1.257   2.819
  245   1HB   HIS  38          2HB       HIS  38  -7.635   0.000   3.941
  246    HD1  HIS  38           1HD      HIS  38  -6.960   0.950   7.270
  247    HD2  HIS  38           2HD      HIS  38  -7.842   3.051   3.795
  248    HE1  HIS  38           1HE      HIS  38  -7.794   3.195   8.035
  249    HE2  HIS  38           2HE      HIS  38  -8.234   4.481   5.915
  250    H    VAL  39           H        VAL  39  -5.212   3.063   4.012
  251    HA   VAL  39           HA       VAL  39  -2.521   2.826   5.035
  252    HB   VAL  39           HB       VAL  39  -4.279   5.274   4.831
  253   1HG1  VAL  39          1HG1      VAL  39  -2.176   6.522   4.983
  254   2HG1  VAL  39          2HG1      VAL  39  -2.464   5.551   6.427
  255   3HG1  VAL  39          3HG1      VAL  39  -1.301   5.009   5.219
  256   1HG2  VAL  39          1HG2      VAL  39  -3.016   5.764   2.786
  257   2HG2  VAL  39          2HG2      VAL  39  -2.183   4.216   2.937
  258   3HG2  VAL  39          3HG2      VAL  39  -3.923   4.257   2.652
  259    H    VAL  40           H        VAL  40  -1.891   2.860   7.115
  260    HA   VAL  40           HA       VAL  40  -3.989   2.986   9.153
  261    HB   VAL  40           HB       VAL  40  -1.130   2.039   9.401
  262   1HG1  VAL  40          1HG1      VAL  40  -1.994   2.872  11.514
  263   2HG1  VAL  40          2HG1      VAL  40  -3.435   1.871  11.339
  264   3HG1  VAL  40          3HG1      VAL  40  -1.857   1.115  11.556
  265   1HG2  VAL  40          1HG2      VAL  40  -2.465   0.596   7.953
  266   2HG2  VAL  40          2HG2      VAL  40  -2.097  -0.208   9.480
  267   3HG2  VAL  40          3HG2      VAL  40  -3.701   0.473   9.204
  268    H    ARG  41           H        ARG  41  -1.009   4.573   8.170
  269    HA   ARG  41           HA       ARG  41  -1.612   7.012   9.351
  270   1HB   ARG  41          2HB       ARG  41   0.032   6.995  11.254
  271   1HG   ARG  41          2HG       ARG  41  -0.145   4.009  10.909
  272   1HD   ARG  41          2HD       ARG  41   1.205   5.650  13.048
  273    HE   ARG  41           HE       ARG  41   1.552   2.917  12.325
  274   1HH1  ARG  41          2HH1      ARG  41   1.368   5.089  15.042
  275   2HH1  ARG  41          1HH1      ARG  41   2.316   4.077  16.081
  276   1HH2  ARG  41          2HH2      ARG  41   2.800   1.575  13.686
  277   2HH2  ARG  41          1HH2      ARG  41   3.129   2.078  15.311
  278    H    VAL  42           H        VAL  42  -0.361   8.508   8.422
  279    HA   VAL  42           HA       VAL  42   2.378   7.816   7.642
  280    HB   VAL  42           HB       VAL  42   0.398   9.100   5.752
  281   1HG1  VAL  42          1HG1      VAL  42   3.303   8.355   5.440
  282   2HG1  VAL  42          2HG1      VAL  42   2.246   8.809   4.103
  283   3HG1  VAL  42          3HG1      VAL  42   2.598   9.971   5.382
  284   1HG2  VAL  42          1HG2      VAL  42   0.522   7.065   4.456
  285   2HG2  VAL  42          2HG2      VAL  42   1.662   6.366   5.605
  286   3HG2  VAL  42          3HG2      VAL  42  -0.001   6.684   6.098
  287    H    ALA  43           H        ALA  43   3.708   9.692   7.141
  288    HA   ALA  43           HA       ALA  43   2.736  12.118   8.499
  289   1HB   ALA  43          1HB       ALA  43   5.050  12.588   9.104
  290   2HB   ALA  43          2HB       ALA  43   4.548  11.007   9.702
  291   3HB   ALA  43          3HB       ALA  43   5.573  11.124   8.271
  292    HA   PRO  44           HA       PRO  44   3.043  14.208   4.587
  293   1HB   PRO  44          2HB       PRO  44   3.633  16.604   6.231
  294   1HG   PRO  44          2HG       PRO  44   1.811  16.386   7.648
  295   1HD   PRO  44          2HD       PRO  44   3.172  14.717   8.487
  296    H    LEU  45           H        LEU  45   5.497  14.479   7.072
  297    HA   LEU  45           HA       LEU  45   7.438  15.572   5.195
  298   1HB   LEU  45          2HB       LEU  45   7.610  14.897   8.129
  299    HG   LEU  45           HG       LEU  45   7.748  17.579   6.745
  300   1HD1  LEU  45          1HD1      LEU  45   5.674  18.012   8.094
  301   2HD1  LEU  45          2HD1      LEU  45   5.482  16.879   6.757
  302   3HD1  LEU  45          3HD1      LEU  45   5.605  16.277   8.410
  303   1HD2  LEU  45          1HD2      LEU  45   7.820  18.486   9.019
  304   2HD2  LEU  45          2HD2      LEU  45   7.887  16.847   9.667
  305   3HD2  LEU  45          3HD2      LEU  45   9.215  17.461   8.682
  306    H    GLY  46           H        GLY  46   7.525  12.844   7.507
  307   1HA   GLY  46          1HA       GLY  46   8.111  10.831   5.681
  308   2HA   GLY  46          2HA       GLY  46   9.650  11.534   6.158
  309    H    ASP  47           H        ASP  47   7.240   9.308   6.947
  310    HA   ASP  47           HA       ASP  47   8.644   8.591   9.390
  311   1HB   ASP  47          2HB       ASP  47   5.749   9.411   9.289
  312    HA   PRO  48           HA       PRO  48   7.465   4.505   8.187
  313   1HB   PRO  48          2HB       PRO  48   6.975   3.499  10.824
  314   1HG   PRO  48          2HG       PRO  48   8.183   4.856  12.198
  315   1HD   PRO  48          2HD       PRO  48   6.838   6.572  11.421
  316    H    VAL  49           H        VAL  49   5.640   3.945   7.248
  317    HA   VAL  49           HA       VAL  49   3.102   4.308   8.684
  318    HB   VAL  49           HB       VAL  49   3.054   5.564   6.690
  319   1HG1  VAL  49          1HG1      VAL  49   4.229   3.150   5.331
  320   2HG1  VAL  49          2HG1      VAL  49   3.627   4.572   4.477
  321   3HG1  VAL  49          3HG1      VAL  49   4.990   4.722   5.589
  322   1HG2  VAL  49          1HG2      VAL  49   1.360   4.469   5.278
  323   2HG2  VAL  49          2HG2      VAL  49   1.693   2.936   6.084
  324   3HG2  VAL  49          3HG2      VAL  49   1.005   4.281   6.995
  325    H    HIS  50           H        HIS  50   1.459   2.706   8.450
  326    HA   HIS  50           HA       HIS  50   2.508   0.003   7.921
  327   1HB   HIS  50          2HB       HIS  50   0.556   0.893  10.053
  328    HD1  HIS  50           1HD      HIS  50   2.681  -1.829  11.028
  329    HD2  HIS  50           2HD      HIS  50   3.042   2.309  10.908
  330    HE1  HIS  50           1HE      HIS  50   4.594  -1.276  12.563
  331    HE2  HIS  50           2HE      HIS  50   4.841   1.227  12.417
  332    H    ILE  51           H        ILE  51   1.352  -1.272   6.595
  333    HA   ILE  51           HA       ILE  51  -1.101  -0.138   5.456
  334    HB   ILE  51           HB       ILE  51  -0.770  -1.679   3.588
  335   1HG1  ILE  51          2HG1      ILE  51   1.758  -2.503   5.034
  336   1HG2  ILE  51          1HG2      ILE  51   1.695  -0.084   4.272
  337   2HG2  ILE  51          2HG2      ILE  51   1.264  -0.666   2.663
  338   3HG2  ILE  51          3HG2      ILE  51   0.243   0.524   3.473
  339   1HD1  ILE  51          1HD1      ILE  51   2.058  -2.504   2.612
  340   2HD1  ILE  51          2HD1      ILE  51   2.047  -4.139   3.275
  341   3HD1  ILE  51          3HD1      ILE  51   0.623  -3.516   2.440
  342    H    GLU  52           H        GLU  52  -3.024  -1.188   5.518
  343    HA   GLU  52           HA       GLU  52  -3.116  -3.639   7.139
  344   1HB   GLU  52          2HB       GLU  52  -4.336  -1.723   8.070
  345   1HG   GLU  52          2HG       GLU  52  -6.253  -3.790   7.013
  346    H    THR  53           H        THR  53  -3.001  -5.303   5.739
  347    HA   THR  53           HA       THR  53  -4.680  -5.262   3.337
  348    HB   THR  53           HB       THR  53  -3.383  -7.124   2.529
  349    HG1  THR  53           1HG      THR  53  -1.824  -7.091   4.894
  350   1HG2  THR  53          1HG2      THR  53  -2.380  -4.920   2.230
  351   2HG2  THR  53          2HG2      THR  53  -1.132  -6.143   2.474
  352   3HG2  THR  53          3HG2      THR  53  -1.577  -5.062   3.795
  353    H    ARG  54           H        ARG  54  -5.110  -7.915   2.895
  354    HA   ARG  54           HA       ARG  54  -7.391  -8.467   4.379
  355   1HB   ARG  54          2HB       ARG  54  -5.635 -10.355   2.804
  356   1HG   ARG  54          2HG       ARG  54  -6.595  -8.574   1.437
  357   1HD   ARG  54          2HD       ARG  54  -9.238  -9.605   2.456
  358    HE   ARG  54           HE       ARG  54  -8.666  -8.142   0.088
  359   1HH1  ARG  54          2HH1      ARG  54 -10.925  -8.395   2.726
  360   2HH1  ARG  54          1HH1      ARG  54 -12.253  -7.744   1.823
  361   1HH2  ARG  54          2HH2      ARG  54 -10.408  -7.280  -1.111
  362   2HH2  ARG  54          1HH2      ARG  54 -11.958  -7.109  -0.356
  363    H    ARG  55           H        ARG  55  -7.163  -8.470   6.568
  364    HA   ARG  55           HA       ARG  55  -6.678  -9.214   8.648
  365   1HB   ARG  55          2HB       ARG  55  -6.316 -11.797   7.127
  366   1HG   ARG  55          2HG       ARG  55  -8.647 -10.790   8.746
  367   1HD   ARG  55          2HD       ARG  55  -8.338 -13.299   7.104
  368    HE   ARG  55           HE       ARG  55 -10.673 -12.041   8.009
  369   1HH1  ARG  55          2HH1      ARG  55  -9.150 -15.172   8.021
  370   2HH1  ARG  55          1HH1      ARG  55 -10.648 -16.043   8.070
  371   1HH2  ARG  55          2HH2      ARG  55 -12.649 -13.176   8.075
  372   2HH2  ARG  55          1HH2      ARG  55 -12.637 -14.908   8.101
  373    H    VAL  56           H        VAL  56  -4.450  -8.204   6.946
  374    HA   VAL  56           HA       VAL  56  -2.299  -9.112   8.686
  375    HB   VAL  56           HB       VAL  56  -2.000  -9.172   5.680
  376   1HG1  VAL  56          1HG1      VAL  56  -0.052  -9.873   7.873
  377   2HG1  VAL  56          2HG1      VAL  56   0.226 -10.078   6.144
  378   3HG1  VAL  56          3HG1      VAL  56   0.033  -8.461   6.820
  379   1HG2  VAL  56          1HG2      VAL  56  -2.051 -11.445   7.662
  380   2HG2  VAL  56          2HG2      VAL  56  -3.322 -11.057   6.503
  381   3HG2  VAL  56          3HG2      VAL  56  -1.740 -11.584   5.931
  382    H    SER  57           H        SER  57  -1.510  -7.299   9.523
  383    HA   SER  57           HA       SER  57  -1.479  -4.868   7.877
  384   1HB   SER  57          2HB       SER  57  -2.664  -4.682  10.023
  385    HG   SER  57           HG       SER  57  -1.870  -2.754  10.333
  386    H    LEU  58           H        LEU  58   0.382  -4.647   6.813
  387    HA   LEU  58           HA       LEU  58   2.877  -5.522   8.052
  388   1HB   LEU  58          2HB       LEU  58   2.397  -4.471   5.265
  389    HG   LEU  58           HG       LEU  58   1.202  -6.582   5.496
  390   1HD1  LEU  58          1HD1      LEU  58   3.820  -6.933   4.042
  391   2HD1  LEU  58          2HD1      LEU  58   2.338  -7.847   3.761
  392   3HD1  LEU  58          3HD1      LEU  58   2.389  -6.122   3.404
  393   1HD2  LEU  58          1HD2      LEU  58   2.398  -8.633   6.114
  394   2HD2  LEU  58          2HD2      LEU  58   3.833  -7.676   6.485
  395   3HD2  LEU  58          3HD2      LEU  58   2.363  -7.467   7.437
  396    H    VAL  59           H        VAL  59   4.819  -4.019   7.431
  397    HA   VAL  59           HA       VAL  59   4.064  -1.235   8.028
  398    HB   VAL  59           HB       VAL  59   4.978  -2.283  10.041
  399   1HG1  VAL  59          1HG1      VAL  59   7.311  -3.037  10.102
  400   2HG1  VAL  59          2HG1      VAL  59   6.337  -4.006   8.997
  401   3HG1  VAL  59          3HG1      VAL  59   7.433  -2.779   8.363
  402   1HG2  VAL  59          1HG2      VAL  59   6.826  -0.280   8.749
  403   2HG2  VAL  59          2HG2      VAL  59   5.395   0.075   9.717
  404   3HG2  VAL  59          3HG2      VAL  59   6.804  -0.673  10.468
  405    H    LEU  60           H        LEU  60   4.932   0.276   6.746
  406    HA   LEU  60           HA       LEU  60   7.200  -0.496   5.029
  407   1HB   LEU  60          2HB       LEU  60   4.892   1.296   4.263
  408    HG   LEU  60           HG       LEU  60   4.190  -1.086   4.310
  409   1HD1  LEU  60          1HD1      LEU  60   3.189   0.438   2.708
  410   2HD1  LEU  60          2HD1      LEU  60   4.494   0.123   1.564
  411   3HD1  LEU  60          3HD1      LEU  60   3.374  -1.167   2.000
  412   1HD2  LEU  60          1HD2      LEU  60   6.376  -1.449   2.264
  413   2HD2  LEU  60          2HD2      LEU  60   6.395  -2.079   3.910
  414   3HD2  LEU  60          3HD2      LEU  60   5.194  -2.663   2.759
  415    H    ARG  61           H        ARG  61   8.393   1.425   4.149
  416    HA   ARG  61           HA       ARG  61   8.243   3.812   5.810
  417   1HB   ARG  61          2HB       ARG  61  10.701   2.067   5.632
  418   1HG   ARG  61          2HG       ARG  61   9.154   3.056   8.019
  419   1HD   ARG  61          2HD       ARG  61  11.537   1.219   7.857
  420    HE   ARG  61           HE       ARG  61   9.703   1.337   9.875
  421   1HH1  ARG  61          2HH1      ARG  61  13.086   2.102   9.562
  422   2HH1  ARG  61          1HH1      ARG  61  13.458   1.722  11.210
  423   1HH2  ARG  61          2HH2      ARG  61  10.182   0.835  12.051
  424   2HH2  ARG  61          1HH2      ARG  61  11.808   1.005  12.627
  425    H    LYS  62           H        LYS  62   9.669   5.549   5.016
  426    HA   LYS  62           HA       LYS  62   9.296   6.067   2.334
  427   1HB   LYS  62          2HB       LYS  62   9.809   7.780   4.036
  428   1HG   LYS  62          2HG       LYS  62  11.749   8.942   2.684
  429   1HD   LYS  62          2HD       LYS  62   9.432   9.690   2.675
  430   1HE   LYS  62          2HE       LYS  62   9.047   7.480   0.669
  431   1HZ   LYS  62          1HZ       LYS  62   7.156   9.651   1.395
  432   2HZ   LYS  62          2HZ       LYS  62   6.826   8.345   0.374
  433   3HZ   LYS  62          3HZ       LYS  62   7.957   9.514  -0.089
  434    H    LYS  63           H        LYS  63  11.753   4.148   3.808
  435    HA   LYS  63           HA       LYS  63  13.581   4.326   1.584
  436   1HB   LYS  63          2HB       LYS  63  14.869   2.611   2.753
  437   1HG   LYS  63          2HG       LYS  63  12.672   2.563   4.808
  438   1HD   LYS  63          2HD       LYS  63  15.204   0.943   4.572
  439   1HE   LYS  63          2HE       LYS  63  14.634   0.180   6.825
  440   1HZ   LYS  63          1HZ       LYS  63  13.870  -1.163   4.980
  441   2HZ   LYS  63          2HZ       LYS  63  12.440  -0.266   4.877
  442   3HZ   LYS  63          3HZ       LYS  63  12.745  -1.215   6.243
  443    H    ASP  64           H        ASP  64  11.030   2.184   2.665
  444    HA   ASP  64           HA       ASP  64  11.594   0.192   0.654
  445   1HB   ASP  64          2HB       ASP  64   9.261   0.510   2.553
  446    H    LEU  65           H        LEU  65   9.184   2.732   1.191
  447    HA   LEU  65           HA       LEU  65   7.557   2.179  -1.026
  448   1HB   LEU  65          2HB       LEU  65   8.097   4.682   0.541
  449    HG   LEU  65           HG       LEU  65   5.695   2.878   0.301
  450   1HD1  LEU  65          1HD1      LEU  65   7.438   2.236   1.914
  451   2HD1  LEU  65          2HD1      LEU  65   7.273   3.811   2.692
  452   3HD1  LEU  65          3HD1      LEU  65   5.920   2.680   2.697
  453   1HD2  LEU  65          1HD2      LEU  65   4.493   4.478   1.696
  454   2HD2  LEU  65          2HD2      LEU  65   5.858   5.590   1.608
  455   3HD2  LEU  65          3HD2      LEU  65   4.947   5.195   0.151
  456    H    ALA  66           H        ALA  66  10.670   3.656  -0.803
  457    HA   ALA  66           HA       ALA  66  10.633   5.142  -3.206
  458   1HB   ALA  66          1HB       ALA  66  12.974   3.929  -1.743
  459   2HB   ALA  66          2HB       ALA  66  13.073   5.154  -3.006
  460   3HB   ALA  66          3HB       ALA  66  12.292   5.533  -1.471
  461    H    LEU  67           H        LEU  67  10.852   1.765  -2.596
  462    HA   LEU  67           HA       LEU  67  11.914   1.253  -5.283
  463   1HB   LEU  67          2HB       LEU  67  11.464  -0.645  -2.978
  464    HG   LEU  67           HG       LEU  67  13.356   0.818  -2.487
  465   1HD1  LEU  67          1HD1      LEU  67  15.086  -0.893  -2.262
  466   2HD1  LEU  67          2HD1      LEU  67  13.497  -1.523  -1.827
  467   3HD1  LEU  67          3HD1      LEU  67  14.210  -1.930  -3.389
  468   1HD2  LEU  67          1HD2      LEU  67  13.871   1.535  -4.758
  469   2HD2  LEU  67          2HD2      LEU  67  15.303   0.877  -3.967
  470   3HD2  LEU  67          3HD2      LEU  67  14.432  -0.091  -5.155
  471    H    ILE  68           H        ILE  68   9.338   0.006  -3.151
  472    HA   ILE  68           HA       ILE  68   7.919  -1.299  -5.217
  473    HB   ILE  68           HB       ILE  68   6.052  -1.426  -3.614
  474   1HG1  ILE  68          2HG1      ILE  68   7.833   0.330  -1.911
  475   1HG2  ILE  68          1HG2      ILE  68   7.224  -2.717  -1.891
  476   2HG2  ILE  68          2HG2      ILE  68   7.840  -3.070  -3.505
  477   3HG2  ILE  68          3HG2      ILE  68   8.756  -2.025  -2.422
  478   1HD1  ILE  68          1HD1      ILE  68   5.203  -0.941  -1.196
  479   2HD1  ILE  68          2HD1      ILE  68   6.776  -1.353  -0.513
  480   3HD1  ILE  68          3HD1      ILE  68   6.083   0.244  -0.229
  481    H    GLU  69           H        GLU  69   5.938  -0.739  -6.213
  482    HA   GLU  69           HA       GLU  69   5.575   2.159  -6.510
  483   1HB   GLU  69          2HB       GLU  69   6.087   0.700  -8.522
  484   1HG   GLU  69          2HG       GLU  69   3.482   2.205  -8.611
  485    H    LEU  70           H        LEU  70   3.479   3.074  -6.497
  486    HA   LEU  70           HA       LEU  70   1.380   1.375  -5.325
  487   1HB   LEU  70          2HB       LEU  70   2.034   4.200  -4.489
  488    HG   LEU  70           HG       LEU  70   3.677   2.633  -3.540
  489   1HD1  LEU  70          1HD1      LEU  70   3.313   3.179  -1.192
  490   2HD1  LEU  70          2HD1      LEU  70   2.950   4.558  -2.229
  491   3HD1  LEU  70          3HD1      LEU  70   1.636   3.602  -1.545
  492   1HD2  LEU  70          1HD2      LEU  70   1.262   1.230  -2.403
  493   2HD2  LEU  70          2HD2      LEU  70   2.343   0.596  -3.644
  494   3HD2  LEU  70          3HD2      LEU  70   2.944   0.873  -2.010
  495    H    GLU  71           H        GLU  71  -0.697   1.771  -5.985
  496    HA   GLU  71           HA       GLU  71  -1.063   3.882  -8.008
  497   1HB   GLU  71          2HB       GLU  71  -0.961   1.688  -9.086
  498   1HG   GLU  71          2HG       GLU  71  -3.792   2.700  -8.991
  499    H    ALA  72           H        ALA  72  -3.169   4.793  -8.163
  500    HA   ALA  72           HA       ALA  72  -4.480   5.033  -5.620
  501   1HB   ALA  72          1HB       ALA  72  -5.216   6.206  -8.301
  502   2HB   ALA  72          2HB       ALA  72  -5.915   6.662  -6.747
  503   3HB   ALA  72          3HB       ALA  72  -4.210   6.973  -7.073
  504    H    VAL  73           H        VAL  73  -7.066   5.195  -5.901
  505    HA   VAL  73           HA       VAL  73  -7.871   2.470  -6.590
  506    HB   VAL  73           HB       VAL  73  -9.903   2.921  -5.321
  507   1HG1  VAL  73          1HG1      VAL  73  -7.959   2.123  -4.105
  508   2HG1  VAL  73          2HG1      VAL  73  -7.407   3.779  -3.864
  509   3HG1  VAL  73          3HG1      VAL  73  -8.899   3.229  -3.103
  510   1HG2  VAL  73          1HG2      VAL  73 -10.228   5.039  -4.149
  511   2HG2  VAL  73          2HG2      VAL  73  -8.767   5.685  -4.899
  512   3HG2  VAL  73          3HG2      VAL  73 -10.167   5.284  -5.895
  513    H    ALA  74           H        ALA  74 -10.287   2.377  -7.347
  514    HA   ALA  74           HA       ALA  74 -10.379   3.813  -9.861
  515   1HB   ALA  74          1HB       ALA  74 -12.242   2.348 -10.409
  516   2HB   ALA  74          2HB       ALA  74 -10.880   1.412  -9.793
  517   3HB   ALA  74          3HB       ALA  74 -12.268   1.737  -8.755
  518    H    GLN  75           H        GLN  75 -12.332   3.543  -6.919
  519    HA   GLN  75           HA       GLN  75 -13.509   6.149  -7.523
  520   1HB   GLN  75          2HB       GLN  75 -15.163   3.748  -6.734
  521   1HG   GLN  75          2HG       GLN  75 -14.948   5.177  -9.361
  522   1HE2  GLN  75          1HE2      GLN  75 -16.973   3.238  -7.264
  523   2HE2  GLN  75          2HE2      GLN  75 -18.351   3.213  -8.303
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   1.708  14.381   2.864
    2   2H    MET   1          2H        MET   1   2.556  15.806   2.532
    3   3H    MET   1          3H        MET   1   2.799  14.435   1.571
    4    HA   MET   1           HA       MET   1   0.270  15.959   1.791
    5   1HB   MET   1          2HB       MET   1   2.308  15.826  -0.438
    6   1HG   MET   1          2HG       MET   1   3.017  17.372   1.276
    7   1HE   MET   1          1HE       MET   1   1.444  20.671   2.723
    8   2HE   MET   1          2HE       MET   1   2.872  19.635   2.709
    9   3HE   MET   1          3HE       MET   1   2.375  20.472   1.239
   10    H    GLN   2           H        GLN   2   2.063  13.528  -0.110
   11    HA   GLN   2           HA       GLN   2  -0.407  12.443  -1.156
   12   1HB   GLN   2          2HB       GLN   2   1.022  10.918  -2.409
   13   1HG   GLN   2          2HG       GLN   2   3.354  12.166  -0.997
   14   1HE2  GLN   2          1HE2      GLN   2   4.406  12.596  -2.929
   15   2HE2  GLN   2          2HE2      GLN   2   5.012  11.339  -3.947
   16    H    PHE   3           H        PHE   3  -1.270  10.426  -0.712
   17    HA   PHE   3           HA       PHE   3  -1.894   8.679   0.607
   18   1HB   PHE   3          2HB       PHE   3   1.083   8.537   1.129
   19    HD1  PHE   3           1HD      PHE   3  -0.735   5.699  -0.086
   20    HD2  PHE   3           2HD      PHE   3   1.411   9.173  -1.282
   21    HE1  PHE   3           1HE      PHE   3  -0.457   4.747  -2.337
   22    HE2  PHE   3           2HE      PHE   3   1.693   8.228  -3.536
   23    HZ   PHE   3           HZ       PHE   3   0.759   6.012  -4.066
   24    H    THR   4           H        THR   4  -3.112   9.652   2.165
   25    HA   THR   4           HA       THR   4  -1.715  10.464   4.630
   26    HB   THR   4           HB       THR   4  -4.005  11.650   5.071
   27    HG1  THR   4           1HG      THR   4  -5.120  10.911   3.260
   28   1HG2  THR   4          1HG2      THR   4  -2.031  12.717   3.049
   29   2HG2  THR   4          2HG2      THR   4  -1.860  12.799   4.803
   30   3HG2  THR   4          3HG2      THR   4  -3.160  13.682   4.001
   31    HA   PRO   5           HA       PRO   5  -3.568   7.434   7.203
   32   1HB   PRO   5          2HB       PRO   5  -4.933   9.646   8.670
   33   1HG   PRO   5          2HG       PRO   5  -2.953  10.781   9.118
   34   1HD   PRO   5          2HD       PRO   5  -3.215  11.341   6.902
   35    H    ASP   6           H        ASP   6  -5.439   6.252   7.380
   36    HA   ASP   6           HA       ASP   6  -7.570   5.567   7.000
   37   1HB   ASP   6          2HB       ASP   6  -8.175   8.531   6.967
   38    H    SER   7           H        SER   7  -5.646   6.475   4.770
   39    HA   SER   7           HA       SER   7  -7.597   6.891   2.627
   40   1HB   SER   7          2HB       SER   7  -5.720   7.477   1.219
   41    HG   SER   7           HG       SER   7  -3.692   7.446   2.920
   42    H    ALA   8           H        ALA   8  -6.943   5.697   0.510
   43    HA   ALA   8           HA       ALA   8  -6.196   2.919   1.134
   44   1HB   ALA   8          1HB       ALA   8  -7.962   2.087  -0.307
   45   2HB   ALA   8          2HB       ALA   8  -8.641   3.079   0.985
   46   3HB   ALA   8          3HB       ALA   8  -8.488   3.735  -0.646
   47    H    TRP   9           H        TRP   9  -5.036   1.838  -0.421
   48    HA   TRP   9           HA       TRP   9  -4.636   2.999  -3.040
   49   1HB   TRP   9          2HB       TRP   9  -2.240   2.619  -1.240
   50    HD1  TRP   9           HD       TRP   9  -3.191   4.170   0.757
   51    HE1  TRP   9           1HE      TRP   9  -3.386   6.728   0.958
   52    HE3  TRP   9           3HE      TRP   9  -2.701   5.415  -4.180
   53    HZ2  TRP   9           2HZ      TRP   9  -3.338   8.976  -0.749
   54    HZ3  TRP   9           3HZ      TRP   9  -2.786   7.791  -4.809
   55    HH2  TRP   9           HH       TRP   9  -3.099   9.534  -3.129
   56    H    LYS  10           H        LYS  10  -3.255   1.602  -4.416
   57    HA   LYS  10           HA       LYS  10  -3.569  -1.209  -3.617
   58   1HB   LYS  10          2HB       LYS  10  -3.460   0.105  -6.330
   59   1HG   LYS  10          2HG       LYS  10  -5.559  -1.624  -5.034
   60   1HD   LYS  10          2HD       LYS  10  -5.642  -0.153  -7.664
   61   1HE   LYS  10          2HE       LYS  10  -7.687  -1.399  -8.031
   62   1HZ   LYS  10          1HZ       LYS  10  -7.727  -0.054  -5.384
   63   2HZ   LYS  10          2HZ       LYS  10  -9.082  -0.387  -6.338
   64   3HZ   LYS  10          3HZ       LYS  10  -7.915   0.710  -6.882
   65    H    ILE  11           H        ILE  11  -1.872  -2.597  -3.624
   66    HA   ILE  11           HA       ILE  11   0.765  -1.463  -3.598
   67    HB   ILE  11           HB       ILE  11  -0.092  -4.349  -3.337
   68   1HG1  ILE  11          2HG1      ILE  11   0.521  -2.239  -1.256
   69   1HG2  ILE  11          1HG2      ILE  11   2.126  -4.676  -2.316
   70   2HG2  ILE  11          2HG2      ILE  11   2.226  -4.183  -4.005
   71   3HG2  ILE  11          3HG2      ILE  11   2.540  -3.011  -2.725
   72   1HD1  ILE  11          1HD1      ILE  11  -0.173  -5.133  -0.821
   73   2HD1  ILE  11          2HD1      ILE  11   1.408  -4.400  -0.536
   74   3HD1  ILE  11          3HD1      ILE  11   0.016  -3.900   0.426
   75    H    THR  12           H        THR  12   2.186  -1.389  -5.209
   76    HA   THR  12           HA       THR  12   1.904  -3.245  -7.467
   77    HB   THR  12           HB       THR  12   2.494  -0.308  -7.865
   78    HG1  THR  12           1HG      THR  12   0.043  -1.723  -7.861
   79   1HG2  THR  12          1HG2      THR  12   3.323  -1.790  -9.621
   80   2HG2  THR  12          2HG2      THR  12   1.975  -0.824 -10.214
   81   3HG2  THR  12          3HG2      THR  12   1.723  -2.515  -9.780
   82    H    GLY  13           H        GLY  13   3.674  -3.675  -5.483
   83   1HA   GLY  13          1HA       GLY  13   6.145  -2.522  -5.444
   84   2HA   GLY  13          2HA       GLY  13   5.886  -4.244  -5.226
   85    H    PHE  14           H        PHE  14   6.853  -1.736  -7.422
   86    HA   PHE  14           HA       PHE  14   8.152  -3.734  -9.094
   87   1HB   PHE  14          2HB       PHE  14   5.986  -3.381 -10.191
   88    HD1  PHE  14           1HD      PHE  14   6.994  -4.843 -11.774
   89    HD2  PHE  14           2HD      PHE  14   8.007  -0.711 -11.707
   90    HE1  PHE  14           1HE      PHE  14   8.102  -5.084 -13.957
   91    HE2  PHE  14           2HE      PHE  14   9.115  -0.943 -13.890
   92    HZ   PHE  14           HZ       PHE  14   9.164  -3.133 -15.018
   93    H    SER  15           H        SER  15  10.144  -3.002  -8.453
   94    HA   SER  15           HA       SER  15  10.760  -0.165  -8.835
   95   1HB   SER  15          2HB       SER  15  11.398  -1.210  -6.682
   96    HG   SER  15           HG       SER  15  12.695   0.489  -7.516
   97    H    ARG  16           H        ARG  16  13.268   0.018  -9.489
   98    HA   ARG  16           HA       ARG  16  13.353  -0.913 -12.207
   99   1HB   ARG  16          2HB       ARG  16  15.231   0.771 -10.554
  100   1HG   ARG  16          2HG       ARG  16  14.615   2.561 -12.076
  101   1HD   ARG  16          2HD       ARG  16  12.120   1.259 -11.002
  102    HE   ARG  16           HE       ARG  16  12.390   3.699 -12.218
  103   1HH1  ARG  16          2HH1      ARG  16  11.447   2.567  -9.063
  104   2HH1  ARG  16          1HH1      ARG  16  10.382   3.898  -8.761
  105   1HH2  ARG  16          2HH2      ARG  16  10.989   5.458 -11.829
  106   2HH2  ARG  16          1HH2      ARG  16  10.121   5.540 -10.333
  107    H    ASP  17           H        ASP  17  14.625  -1.966  -9.185
  108    HA   ASP  17           HA       ASP  17  15.799  -4.277 -10.432
  109   1HB   ASP  17          2HB       ASP  17  17.638  -2.644 -10.630
  110    H    ILE  18           H        ILE  18  13.668  -3.856  -8.591
  111    HA   ILE  18           HA       ILE  18  14.138  -4.120  -5.922
  112    HB   ILE  18           HB       ILE  18  11.885  -4.046  -6.808
  113   1HG1  ILE  18          2HG1      ILE  18  12.373  -6.606  -5.268
  114   1HG2  ILE  18          1HG2      ILE  18  12.419  -6.833  -7.822
  115   2HG2  ILE  18          2HG2      ILE  18  10.851  -6.024  -7.842
  116   3HG2  ILE  18          3HG2      ILE  18  12.186  -5.384  -8.802
  117   1HD1  ILE  18          1HD1      ILE  18  10.070  -6.451  -6.099
  118   2HD1  ILE  18          2HD1      ILE  18  10.170  -6.323  -4.342
  119   3HD1  ILE  18          3HD1      ILE  18   9.915  -4.876  -5.320
  120    H    SER  19           H        SER  19  15.169  -5.501  -4.645
  121    HA   SER  19           HA       SER  19  16.315  -7.916  -5.762
  122   1HB   SER  19          2HB       SER  19  17.774  -6.589  -4.387
  123    HG   SER  19           HG       SER  19  18.447  -8.473  -3.744
  124    HA   PRO  20           HA       PRO  20  13.374 -10.869  -4.330
  125   1HB   PRO  20          2HB       PRO  20  15.099 -12.806  -3.356
  126   1HG   PRO  20          2HG       PRO  20  17.091 -11.667  -3.658
  127   1HD   PRO  20          2HD       PRO  20  17.234  -9.753  -4.970
  128    H    ALA  21           H        ALA  21  16.006  -9.938  -2.176
  129    HA   ALA  21           HA       ALA  21  15.232 -11.008   0.222
  130   1HB   ALA  21          1HB       ALA  21  17.259  -9.697  -0.025
  131   2HB   ALA  21          2HB       ALA  21  16.307  -8.229  -0.249
  132   3HB   ALA  21          3HB       ALA  21  16.285  -9.067   1.303
  133    H    TYR  22           H        TYR  22  14.037  -8.005  -1.241
  134    HA   TYR  22           HA       TYR  22  12.059  -7.666   0.851
  135   1HB   TYR  22          2HB       TYR  22  12.669  -6.076  -1.648
  136    HD1  TYR  22           1HD      TYR  22  14.898  -5.426  -1.245
  137    HD2  TYR  22           2HD      TYR  22  12.019  -5.105   1.872
  138    HE1  TYR  22           1HE      TYR  22  16.513  -4.157   0.107
  139    HE2  TYR  22           2HE      TYR  22  13.626  -3.835   3.233
  140    HH   TYR  22           HH       TYR  22  16.054  -3.536   3.416
  141    H    ARG  23           H        ARG  23  12.137  -8.428  -2.611
  142    HA   ARG  23           HA       ARG  23   9.368  -8.541  -3.036
  143   1HB   ARG  23          2HB       ARG  23  10.978  -8.490  -4.874
  144   1HG   ARG  23          2HG       ARG  23  10.056 -10.146  -6.351
  145   1HD   ARG  23          2HD       ARG  23   8.023  -9.167  -4.352
  146    HE   ARG  23           HE       ARG  23   7.609 -10.628  -6.794
  147   1HH1  ARG  23          2HH1      ARG  23   6.303  -8.240  -4.621
  148   2HH1  ARG  23          1HH1      ARG  23   4.662  -8.501  -5.111
  149   1HH2  ARG  23          2HH2      ARG  23   5.452 -10.976  -7.452
  150   2HH2  ARG  23          1HH2      ARG  23   4.178 -10.056  -6.724
  151    H    GLN  24           H        GLN  24  11.610 -11.291  -2.606
  152    HA   GLN  24           HA       GLN  24   9.769 -13.319  -2.426
  153   1HB   GLN  24          2HB       GLN  24  12.186 -13.703  -2.464
  154   1HG   GLN  24          2HG       GLN  24  12.399 -15.495  -0.891
  155   1HE2  GLN  24          1HE2      GLN  24  11.055 -14.945  -3.419
  156   2HE2  GLN  24          2HE2      GLN  24   9.813 -16.132  -3.571
  157    H    LYS  25           H        LYS  25  10.581 -10.924  -0.021
  158    HA   LYS  25           HA       LYS  25   9.370 -12.196   2.198
  159   1HB   LYS  25          2HB       LYS  25  11.021 -10.202   2.128
  160   1HG   LYS  25          2HG       LYS  25   8.655 -10.010   3.980
  161   1HD   LYS  25          2HD       LYS  25  10.303  -9.047   5.539
  162   1HE   LYS  25          2HE       LYS  25  10.117  -7.575   2.914
  163   1HZ   LYS  25          1HZ       LYS  25  10.307  -5.596   4.302
  164   2HZ   LYS  25          2HZ       LYS  25  11.699  -6.553   4.413
  165   3HZ   LYS  25          3HZ       LYS  25  10.567  -6.560   5.670
  166    H    LEU  26           H        LEU  26   8.176 -10.124  -0.361
  167    HA   LEU  26           HA       LEU  26   5.641  -9.611   0.866
  168   1HB   LEU  26          2HB       LEU  26   6.538  -9.340  -2.006
  169    HG   LEU  26           HG       LEU  26   7.727  -7.763  -0.551
  170   1HD1  LEU  26          1HD1      LEU  26   5.556  -6.520  -2.230
  171   2HD1  LEU  26          2HD1      LEU  26   6.995  -5.680  -1.650
  172   3HD1  LEU  26          3HD1      LEU  26   7.155  -7.027  -2.776
  173   1HD2  LEU  26          1HD2      LEU  26   4.976  -6.837   0.264
  174   2HD2  LEU  26          2HD2      LEU  26   6.122  -7.700   1.291
  175   3HD2  LEU  26          3HD2      LEU  26   6.503  -6.078   0.714
  176    H    LEU  27           H        LEU  27   6.749 -11.764  -1.737
  177    HA   LEU  27           HA       LEU  27   4.374 -12.908  -2.479
  178   1HB   LEU  27          2HB       LEU  27   7.054 -14.263  -2.189
  179    HG   LEU  27           HG       LEU  27   7.218 -12.406  -3.751
  180   1HD1  LEU  27          1HD1      LEU  27   7.011 -15.065  -5.158
  181   2HD1  LEU  27          2HD1      LEU  27   7.868 -13.645  -5.757
  182   3HD1  LEU  27          3HD1      LEU  27   8.419 -14.454  -4.289
  183   1HD2  LEU  27          1HD2      LEU  27   5.800 -12.318  -5.749
  184   2HD2  LEU  27          2HD2      LEU  27   4.854 -13.671  -5.131
  185   3HD2  LEU  27          3HD2      LEU  27   4.859 -12.133  -4.269
  186    H    SER  28           H        SER  28   6.292 -13.548   0.384
  187    HA   SER  28           HA       SER  28   5.191 -15.928   1.259
  188   1HB   SER  28          2HB       SER  28   7.088 -14.840   2.372
  189    HG   SER  28           HG       SER  28   6.566 -15.689   4.236
  190    H    LEU  29           H        LEU  29   3.873 -12.688   1.378
  191    HA   LEU  29           HA       LEU  29   1.601 -13.546   2.978
  192   1HB   LEU  29          2HB       LEU  29   2.413 -10.886   1.822
  193    HG   LEU  29           HG       LEU  29   2.058 -11.725   4.703
  194   1HD1  LEU  29          1HD1      LEU  29   4.054 -12.726   3.828
  195   2HD1  LEU  29          2HD1      LEU  29   4.543 -11.206   3.079
  196   3HD1  LEU  29          3HD1      LEU  29   4.508 -11.352   4.836
  197   1HD2  LEU  29          1HD2      LEU  29   1.467  -9.384   4.249
  198   2HD2  LEU  29          2HD2      LEU  29   2.925  -9.522   5.231
  199   3HD2  LEU  29          3HD2      LEU  29   3.050  -9.138   3.514
  200    H    GLY  30           H        GLY  30   2.448 -13.075  -0.336
  201   1HA   GLY  30          1HA       GLY  30   1.209 -13.913  -2.147
  202   2HA   GLY  30          2HA       GLY  30  -0.216 -13.968  -1.119
  203    H    MET  31           H        MET  31   1.700 -11.084  -1.179
  204    HA   MET  31           HA       MET  31  -0.500  -9.717  -2.556
  205   1HB   MET  31          2HB       MET  31   1.748  -8.489  -0.954
  206   1HG   MET  31          2HG       MET  31  -1.070  -9.074  -0.070
  207   1HE   MET  31          1HE       MET  31   2.370  -8.521   1.803
  208   2HE   MET  31          2HE       MET  31   2.372  -7.324   0.509
  209   3HE   MET  31          3HE       MET  31   2.252  -6.805   2.191
  210    H    LEU  32           H        LEU  32   0.042 -10.129  -4.693
  211    HA   LEU  32           HA       LEU  32   2.679  -9.332  -5.646
  212   1HB   LEU  32          2HB       LEU  32   0.337 -10.669  -6.994
  213    HG   LEU  32           HG       LEU  32   3.118 -11.686  -6.395
  214   1HD1  LEU  32          1HD1      LEU  32   0.400 -12.477  -5.371
  215   2HD1  LEU  32          2HD1      LEU  32   1.871 -13.415  -5.118
  216   3HD1  LEU  32          3HD1      LEU  32   1.735 -11.791  -4.444
  217   1HD2  LEU  32          1HD2      LEU  32   0.854 -13.005  -7.890
  218   2HD2  LEU  32          2HD2      LEU  32   2.357 -12.413  -8.598
  219   3HD2  LEU  32          3HD2      LEU  32   2.390 -13.758  -7.458
  220    HA   PRO  33           HA       PRO  33   1.913  -5.342  -7.314
  221   1HB   PRO  33          2HB       PRO  33   2.220  -6.606 -10.015
  222   1HG   PRO  33          2HG       PRO  33   4.373  -7.355  -9.527
  223   1HD   PRO  33          2HD       PRO  33   3.222  -8.910  -8.298
  224    H    GLY  34           H        GLY  34  -0.194  -4.845  -6.973
  225   1HA   GLY  34          1HA       GLY  34  -2.137  -4.163  -8.375
  226   2HA   GLY  34          2HA       GLY  34  -2.142  -5.817  -8.970
  227    H    SER  35           H        SER  35  -1.583  -4.923  -5.620
  228    HA   SER  35           HA       SER  35  -4.079  -6.314  -4.918
  229   1HB   SER  35          2HB       SER  35  -2.045  -7.358  -4.021
  230    HG   SER  35           HG       SER  35  -2.917  -6.297  -1.675
  231    H    SER  36           H        SER  36  -4.971  -5.539  -2.719
  232    HA   SER  36           HA       SER  36  -5.012  -2.592  -2.735
  233   1HB   SER  36          2HB       SER  36  -7.147  -3.551  -3.469
  234    HG   SER  36           HG       SER  36  -7.196  -2.444  -0.858
  235    H    PHE  37           H        PHE  37  -5.009  -1.496  -0.772
  236    HA   PHE  37           HA       PHE  37  -4.997  -2.938   1.726
  237   1HB   PHE  37          2HB       PHE  37  -2.760  -2.401   2.404
  238    HD1  PHE  37           1HD      PHE  37  -1.716  -0.359   2.719
  239    HD2  PHE  37           2HD      PHE  37  -2.489  -1.718  -1.239
  240    HE1  PHE  37           1HE      PHE  37  -0.417   1.527   1.822
  241    HE2  PHE  37           2HE      PHE  37  -1.190   0.165  -2.144
  242    HZ   PHE  37           HZ       PHE  37  -0.153   1.791  -0.612
  243    H    HIS  38           H        HIS  38  -4.852  -1.496   3.592
  244    HA   HIS  38           HA       HIS  38  -5.802   1.208   2.918
  245   1HB   HIS  38          2HB       HIS  38  -7.448  -0.174   4.111
  246    HD1  HIS  38           1HD      HIS  38  -6.645   1.064   7.345
  247    HD2  HIS  38           2HD      HIS  38  -7.962   2.792   3.803
  248    HE1  HIS  38           1HE      HIS  38  -7.635   3.279   8.005
  249    HE2  HIS  38           2HE      HIS  38  -8.521   4.257   5.859
  250    H    VAL  39           H        VAL  39  -5.081   2.989   4.177
  251    HA   VAL  39           HA       VAL  39  -2.349   2.661   5.119
  252    HB   VAL  39           HB       VAL  39  -3.982   5.181   4.789
  253   1HG1  VAL  39          1HG1      VAL  39  -1.027   4.806   5.264
  254   2HG1  VAL  39          2HG1      VAL  39  -1.830   6.342   4.943
  255   3HG1  VAL  39          3HG1      VAL  39  -2.193   5.448   6.420
  256   1HG2  VAL  39          1HG2      VAL  39  -3.662   4.164   2.648
  257   2HG2  VAL  39          2HG2      VAL  39  -2.535   5.514   2.781
  258   3HG2  VAL  39          3HG2      VAL  39  -1.958   3.860   2.988
  259    H    VAL  40           H        VAL  40  -1.636   3.022   7.174
  260    HA   VAL  40           HA       VAL  40  -3.719   3.206   9.237
  261    HB   VAL  40           HB       VAL  40  -0.860   2.255   9.484
  262   1HG1  VAL  40          1HG1      VAL  40  -3.129   2.205  11.474
  263   2HG1  VAL  40          2HG1      VAL  40  -1.545   1.464  11.703
  264   3HG1  VAL  40          3HG1      VAL  40  -1.686   3.216  11.561
  265   1HG2  VAL  40          1HG2      VAL  40  -3.430   0.672   9.478
  266   2HG2  VAL  40          2HG2      VAL  40  -2.285   0.763   8.139
  267   3HG2  VAL  40          3HG2      VAL  40  -1.799   0.026   9.665
  268    H    ARG  41           H        ARG  41  -0.415   4.386   8.580
  269    HA   ARG  41           HA       ARG  41  -1.112   6.990   9.622
  270   1HB   ARG  41          2HB       ARG  41   0.695   7.033  11.294
  271   1HG   ARG  41          2HG       ARG  41   0.928   4.076  10.771
  272   1HD   ARG  41          2HD       ARG  41   2.658   4.135  12.496
  273    HE   ARG  41           HE       ARG  41  -0.066   4.402  13.098
  274   1HH1  ARG  41          2HH1      ARG  41   3.051   4.694  14.626
  275   2HH1  ARG  41          1HH1      ARG  41   2.460   4.284  16.203
  276   1HH2  ARG  41          2HH2      ARG  41  -0.853   3.861  15.169
  277   2HH2  ARG  41          1HH2      ARG  41   0.240   3.809  16.510
  278    H    VAL  42           H        VAL  42  -0.079   8.521   8.499
  279    HA   VAL  42           HA       VAL  42   2.549   7.944   7.356
  280    HB   VAL  42           HB       VAL  42   0.358   9.111   5.643
  281   1HG1  VAL  42          1HG1      VAL  42   3.123   8.068   5.039
  282   2HG1  VAL  42          2HG1      VAL  42   1.947   8.569   3.822
  283   3HG1  VAL  42          3HG1      VAL  42   2.583   9.747   4.969
  284   1HG2  VAL  42          1HG2      VAL  42   0.166   6.972   4.542
  285   2HG2  VAL  42          2HG2      VAL  42   1.401   6.282   5.596
  286   3HG2  VAL  42          3HG2      VAL  42  -0.156   6.767   6.264
  287    H    ALA  43           H        ALA  43   3.661   9.868   6.582
  288    HA   ALA  43           HA       ALA  43   2.629  12.367   7.751
  289   1HB   ALA  43          1HB       ALA  43   5.481  11.392   7.900
  290   2HB   ALA  43          2HB       ALA  43   4.873  12.929   8.515
  291   3HB   ALA  43          3HB       ALA  43   4.329  11.414   9.234
  292    HA   PRO  44           HA       PRO  44   3.430  14.154   3.795
  293   1HB   PRO  44          2HB       PRO  44   3.943  16.736   4.549
  294   1HG   PRO  44          2HG       PRO  44   4.078  16.432   6.842
  295   1HD   PRO  44          2HD       PRO  44   3.326  14.501   7.870
  296    H    LEU  45           H        LEU  45   5.773  14.179   6.333
  297    HA   LEU  45           HA       LEU  45   7.882  15.234   4.629
  298   1HB   LEU  45          2HB       LEU  45   7.853  14.281   7.490
  299    HG   LEU  45           HG       LEU  45   8.438  16.569   8.080
  300   1HD1  LEU  45          1HD1      LEU  45   8.142  17.167   5.141
  301   2HD1  LEU  45          2HD1      LEU  45   8.401  18.353   6.420
  302   3HD1  LEU  45          3HD1      LEU  45   9.653  17.167   6.051
  303   1HD2  LEU  45          1HD2      LEU  45   6.317  17.612   7.667
  304   2HD2  LEU  45          2HD2      LEU  45   6.017  16.559   6.287
  305   3HD2  LEU  45          3HD2      LEU  45   6.053  15.887   7.916
  306    H    GLY  46           H        GLY  46   7.728  12.348   6.720
  307   1HA   GLY  46          1HA       GLY  46   7.984  10.348   4.886
  308   2HA   GLY  46          2HA       GLY  46   9.622  10.959   5.058
  309    H    ASP  47           H        ASP  47   7.050   9.182   6.551
  310    HA   ASP  47           HA       ASP  47   8.915   8.344   8.664
  311   1HB   ASP  47          2HB       ASP  47   7.237   8.493  10.346
  312    HA   PRO  48           HA       PRO  48   7.516   4.236   7.762
  313   1HB   PRO  48          2HB       PRO  48   7.192   3.309  10.445
  314   1HG   PRO  48          2HG       PRO  48   8.468   4.700  11.716
  315   1HD   PRO  48          2HD       PRO  48   7.132   6.426  10.952
  316    H    VAL  49           H        VAL  49   5.599   3.750   6.946
  317    HA   VAL  49           HA       VAL  49   3.191   4.165   8.579
  318    HB   VAL  49           HB       VAL  49   3.013   5.442   6.602
  319   1HG1  VAL  49          1HG1      VAL  49   4.823   4.507   5.336
  320   2HG1  VAL  49          2HG1      VAL  49   3.937   2.998   5.102
  321   3HG1  VAL  49          3HG1      VAL  49   3.363   4.485   4.346
  322   1HG2  VAL  49          1HG2      VAL  49   1.174   4.380   5.330
  323   2HG2  VAL  49          2HG2      VAL  49   1.510   2.860   6.157
  324   3HG2  VAL  49          3HG2      VAL  49   0.954   4.259   7.076
  325    H    HIS  50           H        HIS  50   1.472   2.602   8.423
  326    HA   HIS  50           HA       HIS  50   2.445  -0.130   7.893
  327   1HB   HIS  50          2HB       HIS  50   0.461   0.803   9.979
  328    HD1  HIS  50           1HD      HIS  50   2.623  -1.797  11.140
  329    HD2  HIS  50           2HD      HIS  50   2.919   2.332  10.776
  330    HE1  HIS  50           1HE      HIS  50   4.498  -1.119  12.673
  331    HE2  HIS  50           2HE      HIS  50   4.715   1.371  12.369
  332    H    ILE  51           H        ILE  51   1.069  -1.567   6.857
  333    HA   ILE  51           HA       ILE  51  -1.316  -0.340   5.635
  334    HB   ILE  51           HB       ILE  51  -1.021  -1.886   3.755
  335   1HG1  ILE  51          2HG1      ILE  51   1.504  -2.697   5.213
  336   1HG2  ILE  51          1HG2      ILE  51   1.408  -0.222   4.394
  337   2HG2  ILE  51          2HG2      ILE  51   1.003  -0.851   2.798
  338   3HG2  ILE  51          3HG2      ILE  51  -0.060   0.320   3.581
  339   1HD1  ILE  51          1HD1      ILE  51   0.535  -3.543   2.494
  340   2HD1  ILE  51          2HD1      ILE  51   1.966  -2.572   2.837
  341   3HD1  ILE  51          3HD1      ILE  51   1.891  -4.249   3.374
  342    H    GLU  52           H        GLU  52  -3.239  -1.340   5.815
  343    HA   GLU  52           HA       GLU  52  -3.298  -3.862   7.325
  344   1HB   GLU  52          2HB       GLU  52  -4.425  -1.908   8.364
  345   1HG   GLU  52          2HG       GLU  52  -6.616  -2.915   8.793
  346    H    THR  53           H        THR  53  -3.582  -5.588   6.082
  347    HA   THR  53           HA       THR  53  -5.389  -5.365   3.763
  348    HB   THR  53           HB       THR  53  -4.113  -7.132   2.665
  349    HG1  THR  53           1HG      THR  53  -2.282  -6.957   4.839
  350   1HG2  THR  53          1HG2      THR  53  -2.340  -4.902   3.666
  351   2HG2  THR  53          2HG2      THR  53  -3.428  -4.817   2.280
  352   3HG2  THR  53          3HG2      THR  53  -2.036  -5.900   2.244
  353    H    ARG  54           H        ARG  54  -5.842  -7.900   3.103
  354    HA   ARG  54           HA       ARG  54  -7.826  -8.774   4.794
  355   1HB   ARG  54          2HB       ARG  54  -6.155 -10.458   2.920
  356   1HG   ARG  54          2HG       ARG  54  -7.196  -8.603   1.739
  357   1HD   ARG  54          2HD       ARG  54  -9.773  -9.679   2.878
  358    HE   ARG  54           HE       ARG  54  -9.336  -8.021   0.583
  359   1HH1  ARG  54          2HH1      ARG  54 -11.482  -8.663   3.250
  360   2HH1  ARG  54          1HH1      ARG  54 -12.882  -8.040   2.442
  361   1HH2  ARG  54          2HH2      ARG  54 -11.173  -7.199  -0.492
  362   2HH2  ARG  54          1HH2      ARG  54 -12.707  -7.210   0.313
  363    H    ARG  55           H        ARG  55  -7.259  -8.866   6.938
  364    HA   ARG  55           HA       ARG  55  -6.383  -9.667   8.867
  365   1HB   ARG  55          2HB       ARG  55  -6.443 -12.193   7.215
  366   1HG   ARG  55          2HG       ARG  55  -8.356 -11.122   9.280
  367   1HD   ARG  55          2HD       ARG  55  -8.480 -13.644   7.633
  368    HE   ARG  55           HE       ARG  55 -10.511 -12.286   9.113
  369   1HH1  ARG  55          2HH1      ARG  55  -9.310 -15.427   8.207
  370   2HH1  ARG  55          1HH1      ARG  55 -10.848 -16.205   8.370
  371   1HH2  ARG  55          2HH2      ARG  55 -12.541 -13.299   9.334
  372   2HH2  ARG  55          1HH2      ARG  55 -12.687 -14.995   9.008
  373    H    VAL  56           H        VAL  56  -4.462  -8.475   7.163
  374    HA   VAL  56           HA       VAL  56  -2.073  -9.684   8.272
  375    HB   VAL  56           HB       VAL  56  -2.365  -9.326   5.284
  376   1HG1  VAL  56          1HG1      VAL  56  -0.150  -8.650   6.018
  377   2HG1  VAL  56          2HG1      VAL  56   0.031 -10.155   6.919
  378   3HG1  VAL  56          3HG1      VAL  56  -0.065 -10.187   5.160
  379   1HG2  VAL  56          1HG2      VAL  56  -1.934 -11.808   6.944
  380   2HG2  VAL  56          2HG2      VAL  56  -3.424 -11.362   6.113
  381   3HG2  VAL  56          3HG2      VAL  56  -1.976 -11.740   5.183
  382    H    SER  57           H        SER  57  -1.526  -7.901   9.404
  383    HA   SER  57           HA       SER  57  -1.486  -5.308   8.047
  384   1HB   SER  57          2HB       SER  57  -2.590  -5.381  10.232
  385    HG   SER  57           HG       SER  57  -1.515  -3.658  11.126
  386    H    LEU  58           H        LEU  58   0.334  -4.933   6.958
  387    HA   LEU  58           HA       LEU  58   2.887  -5.771   8.155
  388   1HB   LEU  58          2HB       LEU  58   2.403  -6.687   5.923
  389    HG   LEU  58           HG       LEU  58   4.634  -4.649   5.838
  390   1HD1  LEU  58          1HD1      LEU  58   4.689  -7.585   6.527
  391   2HD1  LEU  58          2HD1      LEU  58   6.069  -6.488   6.484
  392   3HD1  LEU  58          3HD1      LEU  58   4.798  -6.262   7.688
  393   1HD2  LEU  58          1HD2      LEU  58   3.989  -5.402   3.604
  394   2HD2  LEU  58          2HD2      LEU  58   5.567  -6.038   4.063
  395   3HD2  LEU  58          3HD2      LEU  58   4.147  -7.080   4.119
  396    H    VAL  59           H        VAL  59   4.736  -4.314   7.826
  397    HA   VAL  59           HA       VAL  59   3.902  -1.491   7.967
  398    HB   VAL  59           HB       VAL  59   4.777  -2.266  10.096
  399   1HG1  VAL  59          1HG1      VAL  59   6.132  -4.122   9.318
  400   2HG1  VAL  59          2HG1      VAL  59   7.258  -3.005   8.549
  401   3HG1  VAL  59          3HG1      VAL  59   7.104  -3.032  10.305
  402   1HG2  VAL  59          1HG2      VAL  59   6.523  -0.609  10.429
  403   2HG2  VAL  59          2HG2      VAL  59   6.780  -0.504   8.686
  404   3HG2  VAL  59          3HG2      VAL  59   5.255   0.039   9.387
  405    H    LEU  60           H        LEU  60   5.001   0.031   6.789
  406    HA   LEU  60           HA       LEU  60   7.163  -0.945   5.043
  407   1HB   LEU  60          2HB       LEU  60   4.976   0.984   4.262
  408    HG   LEU  60           HG       LEU  60   4.075  -1.303   4.329
  409   1HD1  LEU  60          1HD1      LEU  60   3.340  -1.429   1.998
  410   2HD1  LEU  60          2HD1      LEU  60   3.286   0.224   2.610
  411   3HD1  LEU  60          3HD1      LEU  60   4.597  -0.279   1.541
  412   1HD2  LEU  60          1HD2      LEU  60   6.311  -1.958   2.412
  413   2HD2  LEU  60          2HD2      LEU  60   6.184  -2.517   4.081
  414   3HD2  LEU  60          3HD2      LEU  60   4.996  -3.036   2.884
  415    H    ARG  61           H        ARG  61   8.839   0.477   4.615
  416    HA   ARG  61           HA       ARG  61   8.885   2.880   6.313
  417   1HB   ARG  61          2HB       ARG  61  11.228   1.343   5.179
  418   1HG   ARG  61          2HG       ARG  61  10.067   1.299   7.957
  419   1HD   ARG  61          2HD       ARG  61  11.926  -0.247   8.460
  420    HE   ARG  61           HE       ARG  61  12.316   2.552   8.077
  421   1HH1  ARG  61          2HH1      ARG  61  13.937  -0.418   8.902
  422   2HH1  ARG  61          1HH1      ARG  61  15.175   0.365   9.827
  423   1HH2  ARG  61          2HH2      ARG  61  13.936   3.591   9.291
  424   2HH2  ARG  61          1HH2      ARG  61  15.173   2.645  10.048
  425    H    LYS  62           H        LYS  62   9.848   4.803   5.517
  426    HA   LYS  62           HA       LYS  62   8.995   5.681   3.065
  427   1HB   LYS  62          2HB       LYS  62  10.347   7.613   3.376
  428   1HG   LYS  62          2HG       LYS  62  12.513   6.432   3.754
  429   1HD   LYS  62          2HD       LYS  62  11.816   4.902   5.530
  430   1HE   LYS  62          2HE       LYS  62  10.236   6.312   6.710
  431   1HZ   LYS  62          1HZ       LYS  62  11.416   8.420   6.535
  432   2HZ   LYS  62          2HZ       LYS  62  12.601   7.867   7.608
  433   3HZ   LYS  62          3HZ       LYS  62  11.011   8.085   8.144
  434    H    LYS  63           H        LYS  63  11.990   4.020   3.819
  435    HA   LYS  63           HA       LYS  63  13.140   4.521   1.220
  436   1HB   LYS  63          2HB       LYS  63  14.972   3.091   1.978
  437   1HG   LYS  63          2HG       LYS  63  13.379   2.684   4.500
  438   1HD   LYS  63          2HD       LYS  63  16.100   1.679   3.664
  439   1HE   LYS  63          2HE       LYS  63  16.215   0.752   5.923
  440   1HZ   LYS  63          1HZ       LYS  63  15.373  -0.666   4.133
  441   2HZ   LYS  63          2HZ       LYS  63  13.789  -0.195   4.498
  442   3HZ   LYS  63          3HZ       LYS  63  14.692  -1.071   5.628
  443    H    ASP  64           H        ASP  64  11.118   2.142   2.680
  444    HA   ASP  64           HA       ASP  64  11.695   0.081   0.751
  445   1HB   ASP  64          2HB       ASP  64  10.992  -0.501   3.033
  446    H    LEU  65           H        LEU  65   9.547   2.779   1.001
  447    HA   LEU  65           HA       LEU  65   7.663   1.799  -0.944
  448   1HB   LEU  65          2HB       LEU  65   8.066   4.439   0.427
  449    HG   LEU  65           HG       LEU  65   5.773   2.476   0.399
  450   1HD1  LEU  65          1HD1      LEU  65   6.173   2.327   2.771
  451   2HD1  LEU  65          2HD1      LEU  65   7.661   1.958   1.900
  452   3HD1  LEU  65          3HD1      LEU  65   7.454   3.534   2.664
  453   1HD2  LEU  65          1HD2      LEU  65   5.903   5.217   1.653
  454   2HD2  LEU  65          2HD2      LEU  65   4.922   4.765   0.257
  455   3HD2  LEU  65          3HD2      LEU  65   4.591   4.049   1.836
  456    H    ALA  66           H        ALA  66  10.592   3.679  -0.963
  457    HA   ALA  66           HA       ALA  66  10.354   4.991  -3.408
  458   1HB   ALA  66          1HB       ALA  66  12.876   3.857  -2.206
  459   2HB   ALA  66          2HB       ALA  66  12.766   5.148  -3.404
  460   3HB   ALA  66          3HB       ALA  66  12.148   5.403  -1.772
  461    H    LEU  67           H        LEU  67  10.861   1.643  -2.716
  462    HA   LEU  67           HA       LEU  67  11.749   1.043  -5.421
  463   1HB   LEU  67          2HB       LEU  67  11.151  -0.825  -3.127
  464    HG   LEU  67           HG       LEU  67  13.058   0.542  -2.503
  465   1HD1  LEU  67          1HD1      LEU  67  14.735  -1.207  -2.262
  466   2HD1  LEU  67          2HD1      LEU  67  13.117  -1.836  -1.955
  467   3HD1  LEU  67          3HD1      LEU  67  13.918  -2.173  -3.490
  468   1HD2  LEU  67          1HD2      LEU  67  13.670   1.333  -4.736
  469   2HD2  LEU  67          2HD2      LEU  67  15.059   0.650  -3.891
  470   3HD2  LEU  67          3HD2      LEU  67  14.247  -0.280  -5.150
  471    H    ILE  68           H        ILE  68   9.138  -0.168  -3.304
  472    HA   ILE  68           HA       ILE  68   7.652  -1.307  -5.419
  473    HB   ILE  68           HB       ILE  68   5.783  -1.420  -3.791
  474   1HG1  ILE  68          2HG1      ILE  68   7.713   0.068  -1.998
  475   1HG2  ILE  68          1HG2      ILE  68   8.455  -2.276  -2.686
  476   2HG2  ILE  68          2HG2      ILE  68   6.883  -2.928  -2.222
  477   3HG2  ILE  68          3HG2      ILE  68   7.488  -3.168  -3.861
  478   1HD1  ILE  68          1HD1      ILE  68   5.997  -0.022  -0.294
  479   2HD1  ILE  68          2HD1      ILE  68   4.988  -1.017  -1.341
  480   3HD1  ILE  68          3HD1      ILE  68   6.520  -1.646  -0.738
  481    H    GLU  69           H        GLU  69   5.661  -0.615  -6.339
  482    HA   GLU  69           HA       GLU  69   5.440   2.313  -6.467
  483   1HB   GLU  69          2HB       GLU  69   5.913   1.007  -8.572
  484   1HG   GLU  69          2HG       GLU  69   3.315   2.530  -8.565
  485    H    LEU  70           H        LEU  70   3.515   3.352  -6.164
  486    HA   LEU  70           HA       LEU  70   1.331   1.718  -5.055
  487   1HB   LEU  70          2HB       LEU  70   2.119   4.582  -4.528
  488    HG   LEU  70           HG       LEU  70   2.201   3.870  -2.154
  489   1HD1  LEU  70          1HD1      LEU  70   2.295   1.500  -1.613
  490   2HD1  LEU  70          2HD1      LEU  70   0.740   1.920  -2.332
  491   3HD1  LEU  70          3HD1      LEU  70   1.962   1.090  -3.296
  492   1HD2  LEU  70          1HD2      LEU  70   4.363   2.850  -2.264
  493   2HD2  LEU  70          2HD2      LEU  70   4.059   2.267  -3.900
  494   3HD2  LEU  70          3HD2      LEU  70   4.226   3.996  -3.597
  495    H    GLU  71           H        GLU  71  -0.524   1.639  -6.142
  496    HA   GLU  71           HA       GLU  71  -0.901   3.486  -8.385
  497   1HB   GLU  71          2HB       GLU  71  -0.952   1.039  -8.836
  498   1HG   GLU  71          2HG       GLU  71  -3.030   0.941 -10.103
  499    H    ALA  72           H        ALA  72  -2.331   5.066  -8.246
  500    HA   ALA  72           HA       ALA  72  -3.793   5.681  -5.971
  501   1HB   ALA  72          1HB       ALA  72  -4.381   6.539  -8.798
  502   2HB   ALA  72          2HB       ALA  72  -4.928   7.342  -7.328
  503   3HB   ALA  72          3HB       ALA  72  -3.210   7.296  -7.720
  504    H    VAL  73           H        VAL  73  -6.039   5.645  -5.522
  505    HA   VAL  73           HA       VAL  73  -7.343   3.232  -6.466
  506    HB   VAL  73           HB       VAL  73  -9.025   3.689  -4.746
  507   1HG1  VAL  73          1HG1      VAL  73  -6.188   3.969  -3.760
  508   2HG1  VAL  73          2HG1      VAL  73  -7.570   3.468  -2.782
  509   3HG1  VAL  73          3HG1      VAL  73  -7.026   2.460  -4.121
  510   1HG2  VAL  73          1HG2      VAL  73  -8.824   5.585  -3.246
  511   2HG2  VAL  73          2HG2      VAL  73  -7.411   6.163  -4.127
  512   3HG2  VAL  73          3HG2      VAL  73  -8.992   6.148  -4.907
  513    H    ALA  74           H        ALA  74  -9.880   3.521  -6.624
  514    HA   ALA  74           HA       ALA  74 -10.298   5.439  -8.790
  515   1HB   ALA  74          1HB       ALA  74 -12.277   4.130  -9.329
  516   2HB   ALA  74          2HB       ALA  74 -10.860   3.087  -9.198
  517   3HB   ALA  74          3HB       ALA  74 -12.036   3.145  -7.886
  518    H    GLN  75           H        GLN  75 -11.921   4.359  -5.807
  519    HA   GLN  75           HA       GLN  75 -13.522   6.815  -5.830
  520   1HB   GLN  75          2HB       GLN  75 -13.800   4.378  -4.066
  521   1HG   GLN  75          2HG       GLN  75 -15.295   5.134  -6.556
  522   1HE2  GLN  75          1HE2      GLN  75 -17.331   5.282  -5.611
  523   2HE2  GLN  75          2HE2      GLN  75 -18.148   3.902  -4.967
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   1.987  10.460  -6.826
    2   2H    MET   1          2H        MET   1   0.975  10.389  -5.473
    3   3H    MET   1          3H        MET   1   2.332   9.384  -5.568
    4    HA   MET   1           HA       MET   1   3.803  11.265  -5.461
    5   1HB   MET   1          2HB       MET   1   1.250  12.865  -5.176
    6   1HG   MET   1          2HG       MET   1   1.731  12.299  -7.508
    7   1HE   MET   1          1HE       MET   1   3.248  14.416  -9.412
    8   2HE   MET   1          2HE       MET   1   4.646  13.458  -9.900
    9   3HE   MET   1          3HE       MET   1   3.049  12.712  -9.818
   10    H    GLN   2           H        GLN   2   0.857  11.859  -3.553
   11    HA   GLN   2           HA       GLN   2   2.260  10.828  -1.186
   12   1HB   GLN   2          2HB       GLN   2   2.413  13.279  -1.168
   13   1HG   GLN   2          2HG       GLN   2   1.362  13.781   0.969
   14   1HE2  GLN   2          1HE2      GLN   2   1.281  11.504   2.768
   15   2HE2  GLN   2          2HE2      GLN   2   2.899  10.906   2.865
   16    H    PHE   3           H        PHE   3   1.024   9.695   0.243
   17    HA   PHE   3           HA       PHE   3  -1.842   9.445  -0.396
   18   1HB   PHE   3          2HB       PHE   3  -1.694   7.082   0.302
   19    HD1  PHE   3           1HD      PHE   3  -0.818   6.270   2.327
   20    HD2  PHE   3           2HD      PHE   3   1.806   7.692  -0.706
   21    HE1  PHE   3           1HE      PHE   3   1.099   5.344   3.558
   22    HE2  PHE   3           2HE      PHE   3   3.729   6.766   0.520
   23    HZ   PHE   3           HZ       PHE   3   3.382   5.585   2.641
   24    H    THR   4           H        THR   4  -3.003  10.341   1.175
   25    HA   THR   4           HA       THR   4  -1.962  10.623   3.851
   26    HB   THR   4           HB       THR   4  -4.190  11.686   4.323
   27    HG1  THR   4           1HG      THR   4  -4.582  11.469   1.514
   28   1HG2  THR   4          1HG2      THR   4  -2.280  13.045   3.673
   29   2HG2  THR   4          2HG2      THR   4  -3.758  13.689   2.956
   30   3HG2  THR   4          3HG2      THR   4  -2.633  12.759   1.969
   31    HA   PRO   5           HA       PRO   5  -3.821   7.049   5.655
   32   1HB   PRO   5          2HB       PRO   5  -4.271   7.894   8.181
   33   1HG   PRO   5          2HG       PRO   5  -4.103  10.193   7.845
   34   1HD   PRO   5          2HD       PRO   5  -3.101  11.075   5.966
   35    H    ASP   6           H        ASP   6  -5.739   7.294   4.253
   36    HA   ASP   6           HA       ASP   6  -8.131   7.213   5.719
   37   1HB   ASP   6          2HB       ASP   6  -7.870   9.642   5.854
   38    H    SER   7           H        SER   7  -6.705   7.941   2.563
   39    HA   SER   7           HA       SER   7  -8.894   6.608   1.187
   40   1HB   SER   7          2HB       SER   7  -7.996   8.672   0.217
   41    HG   SER   7           HG       SER   7  -8.004   7.926  -1.796
   42    H    ALA   8           H        ALA   8  -8.549   4.849  -0.283
   43    HA   ALA   8           HA       ALA   8  -6.626   2.932   0.745
   44   1HB   ALA   8          1HB       ALA   8  -8.741   2.608  -1.382
   45   2HB   ALA   8          2HB       ALA   8  -7.795   1.311  -0.649
   46   3HB   ALA   8          3HB       ALA   8  -8.936   2.234   0.330
   47    H    TRP   9           H        TRP   9  -5.519   1.495  -0.940
   48    HA   TRP   9           HA       TRP   9  -4.774   2.807  -3.404
   49   1HB   TRP   9          2HB       TRP   9  -2.639   2.274  -1.330
   50    HD1  TRP   9           HD       TRP   9  -3.668   3.835   0.579
   51    HE1  TRP   9           1HE      TRP   9  -3.873   6.391   0.788
   52    HE3  TRP   9           3HE      TRP   9  -2.802   5.119  -4.292
   53    HZ2  TRP   9           2HZ      TRP   9  -3.692   8.653  -0.890
   54    HZ3  TRP   9           3HZ      TRP   9  -2.836   7.501  -4.907
   55    HH2  TRP   9           HH       TRP   9  -3.273   9.231  -3.240
   56    H    LYS  10           H        LYS  10  -2.896   1.455  -4.457
   57    HA   LYS  10           HA       LYS  10  -3.424  -1.393  -3.923
   58   1HB   LYS  10          2HB       LYS  10  -3.121  -0.007  -6.590
   59   1HG   LYS  10          2HG       LYS  10  -5.386  -1.642  -5.464
   60   1HD   LYS  10          2HD       LYS  10  -5.175  -0.164  -8.083
   61   1HE   LYS  10          2HE       LYS  10  -7.302  -1.998  -6.986
   62   1HZ   LYS  10          1HZ       LYS  10  -8.507  -1.429  -8.983
   63   2HZ   LYS  10          2HZ       LYS  10  -7.042  -2.168  -9.389
   64   3HZ   LYS  10          3HZ       LYS  10  -7.214  -0.493  -9.543
   65    H    ILE  11           H        ILE  11  -1.700  -2.706  -3.749
   66    HA   ILE  11           HA       ILE  11   0.927  -1.519  -3.697
   67    HB   ILE  11           HB       ILE  11   0.117  -4.397  -3.262
   68   1HG1  ILE  11          2HG1      ILE  11   0.643  -2.186  -1.264
   69   1HG2  ILE  11          1HG2      ILE  11   2.446  -4.233  -3.842
   70   2HG2  ILE  11          2HG2      ILE  11   2.687  -2.947  -2.658
   71   3HG2  ILE  11          3HG2      ILE  11   2.299  -4.580  -2.119
   72   1HD1  ILE  11          1HD1      ILE  11   1.389  -4.336  -0.397
   73   2HD1  ILE  11          2HD1      ILE  11  -0.058  -3.769   0.438
   74   3HD1  ILE  11          3HD1      ILE  11  -0.182  -5.037  -0.781
   75    H    THR  12           H        THR  12   2.300  -1.458  -5.344
   76    HA   THR  12           HA       THR  12   2.165  -3.553  -7.401
   77    HB   THR  12           HB       THR  12   2.595  -0.632  -8.056
   78    HG1  THR  12           1HG      THR  12   0.369  -1.433  -7.326
   79   1HG2  THR  12          1HG2      THR  12   2.108  -3.063  -9.783
   80   2HG2  THR  12          2HG2      THR  12   3.619  -2.167  -9.641
   81   3HG2  THR  12          3HG2      THR  12   2.209  -1.403 -10.370
   82    H    GLY  13           H        GLY  13   3.922  -3.859  -5.472
   83   1HA   GLY  13          1HA       GLY  13   6.347  -2.533  -5.510
   84   2HA   GLY  13          2HA       GLY  13   6.150  -4.224  -5.085
   85    H    PHE  14           H        PHE  14   6.910  -1.971  -7.645
   86    HA   PHE  14           HA       PHE  14   8.382  -4.080  -9.010
   87   1HB   PHE  14          2HB       PHE  14   6.147  -4.075 -10.073
   88    HD1  PHE  14           1HD      PHE  14   6.881  -5.708 -11.543
   89    HD2  PHE  14           2HD      PHE  14   8.347  -1.732 -11.932
   90    HE1  PHE  14           1HE      PHE  14   7.980  -6.325 -13.656
   91    HE2  PHE  14           2HE      PHE  14   9.449  -2.340 -14.046
   92    HZ   PHE  14           HZ       PHE  14   9.281  -4.635 -14.904
   93    H    SER  15           H        SER  15  10.363  -3.236  -8.951
   94    HA   SER  15           HA       SER  15  10.701  -0.393  -9.640
   95   1HB   SER  15          2HB       SER  15  12.631  -2.222  -8.190
   96    HG   SER  15           HG       SER  15  11.648  -0.131  -6.786
   97    H    ARG  16           H        ARG  16  12.734   0.130 -10.827
   98    HA   ARG  16           HA       ARG  16  12.836  -1.148 -13.288
   99   1HB   ARG  16          2HB       ARG  16  14.732   0.201 -13.791
  100   1HG   ARG  16          2HG       ARG  16  16.126  -0.357 -11.829
  101   1HD   ARG  16          2HD       ARG  16  14.351   1.649 -10.448
  102    HE   ARG  16           HE       ARG  16  17.053   1.006  -9.882
  103   1HH1  ARG  16          2HH1      ARG  16  13.971   1.543  -8.355
  104   2HH1  ARG  16          1HH1      ARG  16  14.658   2.078  -6.858
  105   1HH2  ARG  16          2HH2      ARG  16  17.971   1.711  -7.917
  106   2HH2  ARG  16          1HH2      ARG  16  16.934   2.176  -6.610
  107    H    ASP  17           H        ASP  17  14.361  -1.996 -10.313
  108    HA   ASP  17           HA       ASP  17  15.303  -4.466 -11.400
  109   1HB   ASP  17          2HB       ASP  17  17.133  -2.963 -12.108
  110    H    ILE  18           H        ILE  18  13.488  -3.861  -9.397
  111    HA   ILE  18           HA       ILE  18  14.250  -3.667  -6.795
  112    HB   ILE  18           HB       ILE  18  11.908  -3.920  -7.562
  113   1HG1  ILE  18          2HG1      ILE  18  12.736  -5.861  -5.392
  114   1HG2  ILE  18          1HG2      ILE  18  12.609  -6.846  -7.738
  115   2HG2  ILE  18          2HG2      ILE  18  10.986  -6.172  -7.875
  116   3HG2  ILE  18          3HG2      ILE  18  12.207  -5.784  -9.087
  117   1HD1  ILE  18          1HD1      ILE  18  10.572  -5.340  -4.373
  118   2HD1  ILE  18          2HD1      ILE  18  10.125  -4.430  -5.817
  119   3HD1  ILE  18          3HD1      ILE  18  10.401  -6.168  -5.921
  120    H    SER  19           H        SER  19  15.291  -4.866  -5.303
  121    HA   SER  19           HA       SER  19  16.661  -7.256  -6.196
  122   1HB   SER  19          2HB       SER  19  16.775  -5.763  -3.562
  123    HG   SER  19           HG       SER  19  17.753  -4.506  -5.047
  124    HA   PRO  20           HA       PRO  20  14.056 -10.327  -4.426
  125   1HB   PRO  20          2HB       PRO  20  15.888 -12.000  -3.245
  126   1HG   PRO  20          2HG       PRO  20  17.782 -10.688  -3.488
  127   1HD   PRO  20          2HD       PRO  20  17.837  -8.858  -4.900
  128    H    ALA  21           H        ALA  21  16.481  -8.872  -2.326
  129    HA   ALA  21           HA       ALA  21  15.676  -9.801   0.148
  130   1HB   ALA  21          1HB       ALA  21  16.600  -7.733   1.082
  131   2HB   ALA  21          2HB       ALA  21  17.651  -8.405  -0.165
  132   3HB   ALA  21          3HB       ALA  21  16.624  -7.017  -0.530
  133    H    TYR  22           H        TYR  22  14.392  -7.069  -1.706
  134    HA   TYR  22           HA       TYR  22  12.328  -6.561   0.262
  135   1HB   TYR  22          2HB       TYR  22  12.794  -5.325  -2.460
  136    HD1  TYR  22           1HD      TYR  22  15.246  -5.173  -1.961
  137    HD2  TYR  22           2HD      TYR  22  12.309  -3.340   0.513
  138    HE1  TYR  22           1HE      TYR  22  16.981  -3.739  -0.972
  139    HE2  TYR  22           2HE      TYR  22  14.037  -1.900   1.507
  140    HH   TYR  22           HH       TYR  22  16.456  -1.887   1.834
  141    H    ARG  23           H        ARG  23  12.579  -7.838  -3.027
  142    HA   ARG  23           HA       ARG  23   9.810  -8.176  -3.465
  143   1HB   ARG  23          2HB       ARG  23  11.422  -8.165  -5.299
  144   1HG   ARG  23          2HG       ARG  23  10.725 -10.141  -6.560
  145   1HD   ARG  23          2HD       ARG  23   8.538  -8.908  -4.889
  146    HE   ARG  23           HE       ARG  23   8.227 -10.923  -6.755
  147   1HH1  ARG  23          2HH1      ARG  23   7.121  -7.653  -6.305
  148   2HH1  ARG  23          1HH1      ARG  23   5.624  -7.906  -7.139
  149   1HH2  ARG  23          2HH2      ARG  23   6.257 -11.270  -7.856
  150   2HH2  ARG  23          1HH2      ARG  23   5.131  -9.963  -8.018
  151    H    GLN  24           H        GLN  24  12.280 -10.659  -2.775
  152    HA   GLN  24           HA       GLN  24  10.575 -12.793  -2.360
  153   1HB   GLN  24          2HB       GLN  24  13.179 -12.249  -0.925
  154   1HG   GLN  24          2HG       GLN  24  13.516 -12.156  -3.323
  155   1HE2  GLN  24          1HE2      GLN  24  13.256 -15.613  -3.074
  156   2HE2  GLN  24          2HE2      GLN  24  12.132 -15.826  -4.368
  157    H    LYS  25           H        LYS  25  11.144 -10.064  -0.327
  158    HA   LYS  25           HA       LYS  25  10.284 -11.249   2.119
  159   1HB   LYS  25          2HB       LYS  25  11.695  -9.331   2.249
  160   1HG   LYS  25          2HG       LYS  25   8.916  -8.423   2.944
  161   1HD   LYS  25          2HD       LYS  25  10.473  -6.557   2.890
  162   1HE   LYS  25          2HE       LYS  25  12.139  -8.202   4.791
  163   1HZ   LYS  25          1HZ       LYS  25  12.181  -5.846   5.316
  164   2HZ   LYS  25          2HZ       LYS  25  12.582  -5.470   3.717
  165   3HZ   LYS  25          3HZ       LYS  25  13.667  -6.340   4.677
  166    H    LEU  26           H        LEU  26   8.730  -9.347  -0.420
  167    HA   LEU  26           HA       LEU  26   6.248  -8.990   0.858
  168   1HB   LEU  26          2HB       LEU  26   6.939  -7.696  -1.098
  169    HG   LEU  26           HG       LEU  26   4.465  -9.303  -1.751
  170   1HD1  LEU  26          1HD1      LEU  26   3.252  -7.466  -0.686
  171   2HD1  LEU  26          2HD1      LEU  26   4.325  -8.279   0.453
  172   3HD1  LEU  26          3HD1      LEU  26   4.784  -6.719  -0.231
  173   1HD2  LEU  26          1HD2      LEU  26   5.312  -8.083  -3.679
  174   2HD2  LEU  26          2HD2      LEU  26   3.829  -7.343  -3.077
  175   3HD2  LEU  26          3HD2      LEU  26   5.390  -6.602  -2.726
  176    H    LEU  27           H        LEU  27   7.420 -11.505  -1.344
  177    HA   LEU  27           HA       LEU  27   5.115 -12.934  -1.763
  178   1HB   LEU  27          2HB       LEU  27   7.911 -13.992  -1.351
  179    HG   LEU  27           HG       LEU  27   7.712 -12.433  -3.275
  180   1HD1  LEU  27          1HD1      LEU  27   8.658 -13.959  -4.941
  181   2HD1  LEU  27          2HD1      LEU  27   9.326 -14.251  -3.336
  182   3HD1  LEU  27          3HD1      LEU  27   8.101 -15.337  -3.992
  183   1HD2  LEU  27          1HD2      LEU  27   5.729 -14.459  -4.305
  184   2HD2  LEU  27          2HD2      LEU  27   5.346 -12.820  -3.775
  185   3HD2  LEU  27          3HD2      LEU  27   6.360 -13.073  -5.197
  186    H    SER  28           H        SER  28   6.974 -12.650   1.141
  187    HA   SER  28           HA       SER  28   6.291 -14.950   2.520
  188   1HB   SER  28          2HB       SER  28   6.599 -12.145   3.622
  189    HG   SER  28           HG       SER  28   8.652 -12.472   3.377
  190    H    LEU  29           H        LEU  29   4.398 -12.042   1.954
  191    HA   LEU  29           HA       LEU  29   2.221 -13.055   3.612
  192   1HB   LEU  29          2HB       LEU  29   2.585 -10.456   2.125
  193    HG   LEU  29           HG       LEU  29   2.530  -9.402   4.339
  194   1HD1  LEU  29          1HD1      LEU  29   2.737 -10.744   6.357
  195   2HD1  LEU  29          2HD1      LEU  29   1.237 -11.115   5.507
  196   3HD1  LEU  29          3HD1      LEU  29   2.608 -12.221   5.402
  197   1HD2  LEU  29          1HD2      LEU  29   4.760  -9.927   4.991
  198   2HD2  LEU  29          2HD2      LEU  29   4.666 -11.523   4.246
  199   3HD2  LEU  29          3HD2      LEU  29   4.675 -10.077   3.236
  200    H    GLY  30           H        GLY  30   3.155 -12.761   0.293
  201   1HA   GLY  30          1HA       GLY  30   2.205 -13.980  -1.471
  202   2HA   GLY  30          2HA       GLY  30   0.775 -14.247  -0.487
  203    H    MET  31           H        MET  31   1.875 -11.009  -0.580
  204    HA   MET  31           HA       MET  31  -0.465 -10.257  -2.124
  205   1HB   MET  31          2HB       MET  31   1.574  -8.591  -0.641
  206   1HG   MET  31          2HG       MET  31  -1.296  -9.191   0.037
  207   1HE   MET  31          1HE       MET  31  -1.295  -7.472   3.561
  208   2HE   MET  31          2HE       MET  31  -2.283  -8.323   2.375
  209   3HE   MET  31          3HE       MET  31  -0.918  -9.140   3.137
  210    H    LEU  32           H        LEU  32  -0.084 -10.615  -4.252
  211    HA   LEU  32           HA       LEU  32   2.421  -9.840  -5.472
  212   1HB   LEU  32          2HB       LEU  32  -0.132 -10.977  -6.611
  213    HG   LEU  32           HG       LEU  32   2.591 -12.222  -6.216
  214   1HD1  LEU  32          1HD1      LEU  32   1.295 -12.304  -4.207
  215   2HD1  LEU  32          2HD1      LEU  32  -0.132 -12.842  -5.090
  216   3HD1  LEU  32          3HD1      LEU  32   1.268 -13.904  -4.944
  217   1HD2  LEU  32          1HD2      LEU  32   1.709 -12.826  -8.400
  218   2HD2  LEU  32          2HD2      LEU  32   1.641 -14.203  -7.300
  219   3HD2  LEU  32          3HD2      LEU  32   0.176 -13.294  -7.668
  220    HA   PRO  33           HA       PRO  33   1.722  -5.770  -6.961
  221   1HB   PRO  33          2HB       PRO  33   1.625  -6.950  -9.713
  222   1HG   PRO  33          2HG       PRO  33   3.751  -7.874  -9.511
  223   1HD   PRO  33          2HD       PRO  33   2.676  -9.382  -8.172
  224    H    GLY  34           H        GLY  34   0.028  -4.432  -7.584
  225   1HA   GLY  34          1HA       GLY  34  -2.098  -3.846  -8.283
  226   2HA   GLY  34          2HA       GLY  34  -2.277  -5.457  -8.963
  227    H    SER  35           H        SER  35  -1.293  -5.317  -5.675
  228    HA   SER  35           HA       SER  35  -3.738  -6.581  -4.841
  229   1HB   SER  35          2HB       SER  35  -1.653  -7.344  -3.855
  230    HG   SER  35           HG       SER  35  -2.548  -6.050  -1.623
  231    H    SER  36           H        SER  36  -4.675  -5.774  -2.633
  232    HA   SER  36           HA       SER  36  -5.070  -2.859  -2.836
  233   1HB   SER  36          2HB       SER  36  -7.071  -4.051  -3.592
  234    HG   SER  36           HG       SER  36  -7.955  -3.290  -1.099
  235    H    PHE  37           H        PHE  37  -4.910  -1.677  -1.002
  236    HA   PHE  37           HA       PHE  37  -5.012  -2.963   1.597
  237   1HB   PHE  37          2HB       PHE  37  -2.814  -2.375   2.305
  238    HD1  PHE  37           1HD      PHE  37  -1.779  -0.334   2.637
  239    HD2  PHE  37           2HD      PHE  37  -2.495  -1.680  -1.336
  240    HE1  PHE  37           1HE      PHE  37  -0.503   1.580   1.762
  241    HE2  PHE  37           2HE      PHE  37  -1.222   0.231  -2.219
  242    HZ   PHE  37           HZ       PHE  37  -0.217   1.868  -0.650
  243    H    HIS  38           H        HIS  38  -4.509  -1.241   3.355
  244    HA   HIS  38           HA       HIS  38  -5.591   1.362   2.506
  245   1HB   HIS  38          2HB       HIS  38  -6.325  -0.142   5.027
  246    HD1  HIS  38           1HD      HIS  38  -7.315  -2.172   3.771
  247    HD2  HIS  38           2HD      HIS  38  -8.929   1.485   2.642
  248    HE1  HIS  38           1HE      HIS  38  -9.368  -2.731   2.432
  249    HE2  HIS  38           2HE      HIS  38 -10.288  -0.502   1.697
  250    H    VAL  39           H        VAL  39  -5.081   3.144   3.949
  251    HA   VAL  39           HA       VAL  39  -2.395   2.840   5.057
  252    HB   VAL  39           HB       VAL  39  -3.978   5.368   4.585
  253   1HG1  VAL  39          1HG1      VAL  39  -1.059   4.926   5.204
  254   2HG1  VAL  39          2HG1      VAL  39  -1.794   6.477   4.799
  255   3HG1  VAL  39          3HG1      VAL  39  -2.261   5.641   6.279
  256   1HG2  VAL  39          1HG2      VAL  39  -1.792   4.151   2.899
  257   2HG2  VAL  39          2HG2      VAL  39  -3.512   4.126   2.505
  258   3HG2  VAL  39          3HG2      VAL  39  -2.647   5.661   2.584
  259    H    VAL  40           H        VAL  40  -1.983   2.840   7.172
  260    HA   VAL  40           HA       VAL  40  -4.204   3.295   9.021
  261    HB   VAL  40           HB       VAL  40  -1.469   2.124   9.557
  262   1HG1  VAL  40          1HG1      VAL  40  -3.941   2.223  11.282
  263   2HG1  VAL  40          2HG1      VAL  40  -2.443   1.378  11.676
  264   3HG1  VAL  40          3HG1      VAL  40  -2.454   3.136  11.539
  265   1HG2  VAL  40          1HG2      VAL  40  -2.639  -0.031   9.653
  266   2HG2  VAL  40          2HG2      VAL  40  -4.138   0.767   9.174
  267   3HG2  VAL  40          3HG2      VAL  40  -2.772   0.713   8.060
  268    H    ARG  41           H        ARG  41  -0.936   4.428   8.322
  269    HA   ARG  41           HA       ARG  41  -1.394   7.027   9.238
  270   1HB   ARG  41          2HB       ARG  41   0.052   7.009  11.278
  271   1HG   ARG  41          2HG       ARG  41  -0.343   4.025  11.169
  272   1HD   ARG  41          2HD       ARG  41   0.956   3.991  13.218
  273    HE   ARG  41           HE       ARG  41  -1.633   4.998  13.156
  274   1HH1  ARG  41          2HH1      ARG  41   1.129   5.049  15.276
  275   2HH1  ARG  41          1HH1      ARG  41   0.182   5.191  16.719
  276   1HH2  ARG  41          2HH2      ARG  41  -2.891   5.189  15.050
  277   2HH2  ARG  41          1HH2      ARG  41  -2.105   5.272  16.590
  278    H    VAL  42           H        VAL  42  -0.017   8.221   8.116
  279    HA   VAL  42           HA       VAL  42   2.754   7.341   7.801
  280    HB   VAL  42           HB       VAL  42   1.551   6.504   5.812
  281   1HG1  VAL  42          1HG1      VAL  42  -0.225   8.130   5.668
  282   2HG1  VAL  42          2HG1      VAL  42   0.934   9.419   5.350
  283   3HG1  VAL  42          3HG1      VAL  42   0.694   8.137   4.164
  284   1HG2  VAL  42          1HG2      VAL  42   3.077   7.378   4.159
  285   2HG2  VAL  42          2HG2      VAL  42   3.400   8.796   5.155
  286   3HG2  VAL  42          3HG2      VAL  42   3.925   7.201   5.695
  287    H    ALA  43           H        ALA  43   4.162   9.058   6.967
  288    HA   ALA  43           HA       ALA  43   3.094  11.755   7.498
  289   1HB   ALA  43          1HB       ALA  43   5.212  12.360   8.535
  290   2HB   ALA  43          2HB       ALA  43   4.475  10.996   9.376
  291   3HB   ALA  43          3HB       ALA  43   5.821  10.727   8.270
  292    HA   PRO  44           HA       PRO  44   4.925  12.819   3.618
  293   1HB   PRO  44          2HB       PRO  44   5.047  15.484   3.817
  294   1HG   PRO  44          2HG       PRO  44   4.961  15.779   6.109
  295   1HD   PRO  44          2HD       PRO  44   4.467  14.028   7.482
  296    H    LEU  45           H        LEU  45   6.595  13.468   6.565
  297    HA   LEU  45           HA       LEU  45   8.952  14.534   5.264
  298   1HB   LEU  45          2HB       LEU  45   9.922  14.611   7.492
  299    HG   LEU  45           HG       LEU  45   7.475  13.093   8.347
  300   1HD1  LEU  45          1HD1      LEU  45  10.435  12.829   8.736
  301   2HD1  LEU  45          2HD1      LEU  45   9.291  12.041   9.822
  302   3HD1  LEU  45          3HD1      LEU  45   9.288  11.650   8.105
  303   1HD2  LEU  45          1HD2      LEU  45   7.486  15.139   9.658
  304   2HD2  LEU  45          2HD2      LEU  45   7.963  13.763  10.655
  305   3HD2  LEU  45          3HD2      LEU  45   9.183  14.889  10.063
  306    H    GLY  46           H        GLY  46   7.716  11.446   6.088
  307   1HA   GLY  46          1HA       GLY  46   8.840   9.561   4.990
  308   2HA   GLY  46          2HA       GLY  46  10.363  10.269   5.509
  309    H    ASP  47           H        ASP  47   7.520   8.512   6.509
  310    HA   ASP  47           HA       ASP  47   8.986   7.580   8.869
  311   1HB   ASP  47          2HB       ASP  47   6.203   8.736   8.822
  312    HA   PRO  48           HA       PRO  48   7.290   3.648   7.798
  313   1HB   PRO  48          2HB       PRO  48   6.847   2.719  10.461
  314   1HG   PRO  48          2HG       PRO  48   8.204   3.987  11.773
  315   1HD   PRO  48          2HD       PRO  48   7.051   5.835  11.005
  316    H    VAL  49           H        VAL  49   5.348   3.424   6.928
  317    HA   VAL  49           HA       VAL  49   2.961   3.950   8.559
  318    HB   VAL  49           HB       VAL  49   2.956   5.327   6.625
  319   1HG1  VAL  49          1HG1      VAL  49   3.180   4.401   4.334
  320   2HG1  VAL  49          2HG1      VAL  49   4.641   4.242   5.312
  321   3HG1  VAL  49          3HG1      VAL  49   3.600   2.843   5.048
  322   1HG2  VAL  49          1HG2      VAL  49   1.177   2.952   6.070
  323   2HG2  VAL  49          2HG2      VAL  49   0.789   4.325   7.108
  324   3HG2  VAL  49          3HG2      VAL  49   0.991   4.562   5.371
  325    H    HIS  50           H        HIS  50   1.437   2.411   8.875
  326    HA   HIS  50           HA       HIS  50   2.145  -0.313   8.086
  327   1HB   HIS  50          2HB       HIS  50   0.174   0.744  10.121
  328    HD1  HIS  50           1HD      HIS  50   2.187  -2.148  11.029
  329    HD2  HIS  50           2HD      HIS  50   2.571   1.983  11.246
  330    HE1  HIS  50           1HE      HIS  50   4.034  -1.732  12.682
  331    HE2  HIS  50           2HE      HIS  50   4.268   0.776  12.780
  332    H    ILE  51           H        ILE  51   0.929  -1.552   6.769
  333    HA   ILE  51           HA       ILE  51  -1.346  -0.254   5.449
  334    HB   ILE  51           HB       ILE  51  -1.074  -1.962   3.695
  335   1HG1  ILE  51          2HG1      ILE  51   1.342  -2.824   5.303
  336   1HG2  ILE  51          1HG2      ILE  51   1.037  -1.124   2.781
  337   2HG2  ILE  51          2HG2      ILE  51   0.071   0.173   3.485
  338   3HG2  ILE  51          3HG2      ILE  51   1.459  -0.469   4.363
  339   1HD1  ILE  51          1HD1      ILE  51   0.269  -3.953   2.732
  340   2HD1  ILE  51          2HD1      ILE  51   1.738  -2.991   2.895
  341   3HD1  ILE  51          3HD1      ILE  51   1.631  -4.574   3.667
  342    H    GLU  52           H        GLU  52  -3.375  -1.055   5.553
  343    HA   GLU  52           HA       GLU  52  -3.758  -3.501   7.145
  344   1HB   GLU  52          2HB       GLU  52  -4.687  -1.443   8.145
  345   1HG   GLU  52          2HG       GLU  52  -6.808  -3.348   7.180
  346    H    THR  53           H        THR  53  -4.431  -5.227   6.082
  347    HA   THR  53           HA       THR  53  -6.088  -4.851   3.675
  348    HB   THR  53           HB       THR  53  -5.057  -6.846   2.689
  349    HG1  THR  53           1HG      THR  53  -3.636  -6.846   5.130
  350   1HG2  THR  53          1HG2      THR  53  -4.097  -4.692   2.118
  351   2HG2  THR  53          2HG2      THR  53  -2.818  -5.901   2.234
  352   3HG2  THR  53          3HG2      THR  53  -3.063  -4.746   3.546
  353    H    ARG  54           H        ARG  54  -6.873  -7.356   3.133
  354    HA   ARG  54           HA       ARG  54  -8.977  -7.841   4.829
  355   1HB   ARG  54          2HB       ARG  54  -7.517  -9.836   3.093
  356   1HG   ARG  54          2HG       ARG  54  -8.386  -7.974   1.794
  357   1HD   ARG  54          2HD       ARG  54 -10.118  -7.187   3.305
  358    HE   ARG  54           HE       ARG  54 -11.051  -9.806   3.361
  359   1HH1  ARG  54          2HH1      ARG  54 -12.334  -6.588   2.990
  360   2HH1  ARG  54          1HH1      ARG  54 -13.868  -6.979   3.695
  361   1HH2  ARG  54          2HH2      ARG  54 -13.063 -10.329   4.288
  362   2HH2  ARG  54          1HH2      ARG  54 -14.281  -9.107   4.437
  363    H    ARG  55           H        ARG  55  -8.429  -7.807   6.980
  364    HA   ARG  55           HA       ARG  55  -7.755  -8.586   8.995
  365   1HB   ARG  55          2HB       ARG  55  -7.932 -11.250   7.582
  366   1HG   ARG  55          2HG       ARG  55 -10.039 -10.076   7.393
  367   1HD   ARG  55          2HD       ARG  55  -9.979  -9.871  10.399
  368    HE   ARG  55           HE       ARG  55 -12.189  -9.881   8.845
  369   1HH1  ARG  55          2HH1      ARG  55 -10.572  -7.398  10.673
  370   2HH1  ARG  55          1HH1      ARG  55 -12.023  -6.512  11.003
  371   1HH2  ARG  55          2HH2      ARG  55 -14.109  -8.724   9.272
  372   2HH2  ARG  55          1HH2      ARG  55 -14.035  -7.265  10.205
  373    H    VAL  56           H        VAL  56  -5.631  -7.700   7.390
  374    HA   VAL  56           HA       VAL  56  -3.453  -9.104   8.656
  375    HB   VAL  56           HB       VAL  56  -3.566  -8.984   5.637
  376   1HG1  VAL  56          1HG1      VAL  56  -1.415 -10.158   5.720
  377   2HG1  VAL  56          2HG1      VAL  56  -1.319  -8.570   6.479
  378   3HG1  VAL  56          3HG1      VAL  56  -1.412 -10.019   7.478
  379   1HG2  VAL  56          1HG2      VAL  56  -3.691 -11.308   7.554
  380   2HG2  VAL  56          2HG2      VAL  56  -4.948 -10.776   6.438
  381   3HG2  VAL  56          3HG2      VAL  56  -3.450 -11.467   5.814
  382    H    SER  57           H        SER  57  -2.599  -7.343   9.610
  383    HA   SER  57           HA       SER  57  -2.180  -4.939   7.974
  384   1HB   SER  57          2HB       SER  57  -3.443  -4.566  10.039
  385    HG   SER  57           HG       SER  57  -1.597  -3.108   9.279
  386    H    LEU  58           H        LEU  58  -0.258  -4.990   7.009
  387    HA   LEU  58           HA       LEU  58   2.054  -6.058   8.465
  388   1HB   LEU  58          2HB       LEU  58   1.611  -6.949   6.211
  389    HG   LEU  58           HG       LEU  58   4.129  -5.282   6.300
  390   1HD1  LEU  58          1HD1      LEU  58   3.967  -6.868   8.136
  391   2HD1  LEU  58          2HD1      LEU  58   3.623  -8.170   6.997
  392   3HD1  LEU  58          3HD1      LEU  58   5.196  -7.374   6.978
  393   1HD2  LEU  58          1HD2      LEU  58   3.549  -5.922   4.013
  394   2HD2  LEU  58          2HD2      LEU  58   4.970  -6.795   4.583
  395   3HD2  LEU  58          3HD2      LEU  58   3.405  -7.605   4.519
  396    H    VAL  59           H        VAL  59   4.114  -4.873   8.305
  397    HA   VAL  59           HA       VAL  59   3.641  -2.006   8.625
  398    HB   VAL  59           HB       VAL  59   4.807  -3.155  10.451
  399   1HG1  VAL  59          1HG1      VAL  59   6.898  -3.736   8.357
  400   2HG1  VAL  59          2HG1      VAL  59   7.127  -3.950  10.093
  401   3HG1  VAL  59          3HG1      VAL  59   5.921  -4.911   9.237
  402   1HG2  VAL  59          1HG2      VAL  59   6.712  -1.616  10.643
  403   2HG2  VAL  59          2HG2      VAL  59   6.548  -1.211   8.933
  404   3HG2  VAL  59          3HG2      VAL  59   5.261  -0.796  10.066
  405    H    LEU  60           H        LEU  60   4.717  -0.441   7.472
  406    HA   LEU  60           HA       LEU  60   6.545  -1.313   5.350
  407   1HB   LEU  60          2HB       LEU  60   4.302  -1.138   4.365
  408    HG   LEU  60           HG       LEU  60   6.065   1.148   3.475
  409   1HD1  LEU  60          1HD1      LEU  60   5.861  -1.702   2.512
  410   2HD1  LEU  60          2HD1      LEU  60   6.817  -0.428   1.751
  411   3HD1  LEU  60          3HD1      LEU  60   7.220  -0.981   3.377
  412   1HD2  LEU  60          1HD2      LEU  60   3.713  -0.201   2.161
  413   2HD2  LEU  60          2HD2      LEU  60   3.851   1.491   2.635
  414   3HD2  LEU  60          3HD2      LEU  60   4.842   0.860   1.321
  415    H    ARG  61           H        ARG  61   8.142   0.137   4.830
  416    HA   ARG  61           HA       ARG  61   8.227   2.587   6.453
  417   1HB   ARG  61          2HB       ARG  61  10.726   2.360   6.269
  418   1HG   ARG  61          2HG       ARG  61  10.002  -0.352   5.190
  419   1HD   ARG  61          2HD       ARG  61  12.671   0.646   6.171
  420    HE   ARG  61           HE       ARG  61  12.204  -1.368   4.353
  421   1HH1  ARG  61          2HH1      ARG  61  13.636  -1.093   7.515
  422   2HH1  ARG  61          1HH1      ARG  61  14.740  -2.405   7.273
  423   1HH2  ARG  61          2HH2      ARG  61  13.660  -3.096   4.019
  424   2HH2  ARG  61          1HH2      ARG  61  14.754  -3.543   5.286
  425    H    LYS  62           H        LYS  62  10.050   4.105   5.384
  426    HA   LYS  62           HA       LYS  62   8.889   4.888   2.891
  427   1HB   LYS  62          2HB       LYS  62   9.630   6.547   4.544
  428   1HG   LYS  62          2HG       LYS  62  11.319   7.818   2.979
  429   1HD   LYS  62          2HD       LYS  62   9.022   8.515   3.308
  430   1HE   LYS  62          2HE       LYS  62   8.376   6.313   1.359
  431   1HZ   LYS  62          1HZ       LYS  62   6.088   7.149   1.510
  432   2HZ   LYS  62          2HZ       LYS  62   7.117   8.247   0.738
  433   3HZ   LYS  62          3HZ       LYS  62   6.644   8.516   2.338
  434    H    LYS  63           H        LYS  63  12.112   3.734   3.847
  435    HA   LYS  63           HA       LYS  63  13.369   3.858   1.392
  436   1HB   LYS  63          2HB       LYS  63  14.805   2.008   2.203
  437   1HG   LYS  63          2HG       LYS  63  12.934   1.932   4.560
  438   1HD   LYS  63          2HD       LYS  63  15.319   1.722   5.150
  439   1HE   LYS  63          2HE       LYS  63  15.257  -0.697   3.350
  440   1HZ   LYS  63          1HZ       LYS  63  16.642  -0.935   5.344
  441   2HZ   LYS  63          2HZ       LYS  63  17.495   0.463   4.918
  442   3HZ   LYS  63          3HZ       LYS  63  17.566  -0.904   3.925
  443    H    ASP  64           H        ASP  64  11.080   1.501   2.599
  444    HA   ASP  64           HA       ASP  64  11.399  -0.248   0.325
  445   1HB   ASP  64          2HB       ASP  64  10.817  -1.138   2.564
  446    H    LEU  65           H        LEU  65   9.435   2.446   1.250
  447    HA   LEU  65           HA       LEU  65   7.312   1.990  -0.609
  448   1HB   LEU  65          2HB       LEU  65   8.184   4.244   1.145
  449    HG   LEU  65           HG       LEU  65   6.544   2.329   1.835
  450   1HD1  LEU  65          1HD1      LEU  65   7.071   4.264   3.211
  451   2HD1  LEU  65          2HD1      LEU  65   5.922   5.244   2.300
  452   3HD1  LEU  65          3HD1      LEU  65   5.349   3.898   3.286
  453   1HD2  LEU  65          1HD2      LEU  65   5.059   2.446  -0.056
  454   2HD2  LEU  65          2HD2      LEU  65   4.187   2.958   1.390
  455   3HD2  LEU  65          3HD2      LEU  65   4.762   4.161   0.234
  456    H    ALA  66           H        ALA  66  10.447   3.453  -0.749
  457    HA   ALA  66           HA       ALA  66   9.980   5.052  -3.074
  458   1HB   ALA  66          1HB       ALA  66  11.759   5.580  -1.476
  459   2HB   ALA  66          2HB       ALA  66  12.585   4.081  -1.903
  460   3HB   ALA  66          3HB       ALA  66  12.398   5.358  -3.105
  461    H    LEU  67           H        LEU  67  10.849   1.746  -2.490
  462    HA   LEU  67           HA       LEU  67  11.775   1.289  -5.195
  463   1HB   LEU  67          2HB       LEU  67  11.290  -0.568  -2.869
  464    HG   LEU  67           HG       LEU  67  13.320   0.883  -2.685
  465   1HD1  LEU  67          1HD1      LEU  67  13.799  -2.069  -3.075
  466   2HD1  LEU  67          2HD1      LEU  67  14.863  -0.963  -2.204
  467   3HD1  LEU  67          3HD1      LEU  67  13.239  -1.287  -1.596
  468   1HD2  LEU  67          1HD2      LEU  67  15.186   0.483  -4.190
  469   2HD2  LEU  67          2HD2      LEU  67  14.204  -0.635  -5.138
  470   3HD2  LEU  67          3HD2      LEU  67  13.786   1.077  -5.085
  471    H    ILE  68           H        ILE  68   9.088   0.054  -3.197
  472    HA   ILE  68           HA       ILE  68   7.760  -1.226  -5.336
  473    HB   ILE  68           HB       ILE  68   5.845  -1.414  -3.852
  474   1HG1  ILE  68          2HG1      ILE  68   7.368   0.514  -2.086
  475   1HG2  ILE  68          1HG2      ILE  68   6.921  -2.577  -1.984
  476   2HG2  ILE  68          2HG2      ILE  68   7.705  -2.947  -3.519
  477   3HG2  ILE  68          3HG2      ILE  68   8.456  -1.812  -2.396
  478   1HD1  ILE  68          1HD1      ILE  68   5.521   0.379  -0.533
  479   2HD1  ILE  68          2HD1      ILE  68   4.754  -0.861  -1.524
  480   3HD1  ILE  68          3HD1      ILE  68   6.286  -1.197  -0.720
  481    H    GLU  69           H        GLU  69   5.729  -0.655  -6.310
  482    HA   GLU  69           HA       GLU  69   5.446   2.251  -6.668
  483   1HB   GLU  69          2HB       GLU  69   6.025   0.810  -8.663
  484   1HG   GLU  69          2HG       GLU  69   4.422   1.798 -10.205
  485    H    LEU  70           H        LEU  70   3.548   3.247  -6.250
  486    HA   LEU  70           HA       LEU  70   1.386   1.575  -5.170
  487   1HB   LEU  70          2HB       LEU  70   2.073   4.477  -4.725
  488    HG   LEU  70           HG       LEU  70   2.268   3.885  -2.365
  489   1HD1  LEU  70          1HD1      LEU  70   1.869   1.042  -3.280
  490   2HD1  LEU  70          2HD1      LEU  70   2.264   1.563  -1.644
  491   3HD1  LEU  70          3HD1      LEU  70   0.710   1.998  -2.358
  492   1HD2  LEU  70          1HD2      LEU  70   3.993   2.054  -4.022
  493   2HD2  LEU  70          2HD2      LEU  70   4.245   3.795  -3.889
  494   3HD2  LEU  70          3HD2      LEU  70   4.378   2.772  -2.457
  495    H    GLU  71           H        GLU  71  -0.793   2.044  -5.693
  496    HA   GLU  71           HA       GLU  71  -1.298   3.839  -7.932
  497   1HB   GLU  71          2HB       GLU  71  -0.754   1.689  -8.987
  498   1HG   GLU  71          2HG       GLU  71  -3.715   2.219  -9.099
  499    H    ALA  72           H        ALA  72  -3.036   4.996  -7.459
  500    HA   ALA  72           HA       ALA  72  -4.621   4.721  -5.233
  501   1HB   ALA  72          1HB       ALA  72  -6.188   6.256  -6.299
  502   2HB   ALA  72          2HB       ALA  72  -4.520   6.757  -6.581
  503   3HB   ALA  72          3HB       ALA  72  -5.428   5.956  -7.863
  504    H    VAL  73           H        VAL  73  -7.014   4.325  -5.174
  505    HA   VAL  73           HA       VAL  73  -7.588   1.792  -6.536
  506    HB   VAL  73           HB       VAL  73  -8.976   3.022  -4.151
  507   1HG1  VAL  73          1HG1      VAL  73  -9.209   0.283  -5.390
  508   2HG1  VAL  73          2HG1      VAL  73  -9.971   0.790  -3.883
  509   3HG1  VAL  73          3HG1      VAL  73 -10.438   1.549  -5.405
  510   1HG2  VAL  73          1HG2      VAL  73  -6.682   2.418  -3.615
  511   2HG2  VAL  73          2HG2      VAL  73  -7.809   1.305  -2.839
  512   3HG2  VAL  73          3HG2      VAL  73  -6.933   0.806  -4.286
  513    H    ALA  74           H        ALA  74  -9.563   1.425  -7.581
  514    HA   ALA  74           HA       ALA  74 -10.897   3.877  -8.496
  515   1HB   ALA  74          1HB       ALA  74  -9.876   2.493 -10.240
  516   2HB   ALA  74          2HB       ALA  74 -10.882   1.130  -9.746
  517   3HB   ALA  74          3HB       ALA  74 -11.628   2.577 -10.423
  518    H    GLN  75           H        GLN  75 -13.268   3.489  -9.138
  519    HA   GLN  75           HA       GLN  75 -14.664   2.662  -6.769
  520   1HB   GLN  75          2HB       GLN  75 -15.645   3.685  -9.436
  521   1HG   GLN  75          2HG       GLN  75 -16.207   5.713  -8.237
  522   1HE2  GLN  75          1HE2      GLN  75 -13.344   4.828  -6.486
  523   2HE2  GLN  75          2HE2      GLN  75 -12.221   5.670  -7.493
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1   0.438  11.501  -5.416
    2   2H    MET   1          2H        MET   1   1.641  10.343  -5.690
    3   3H    MET   1          3H        MET   1   1.355  11.552  -6.838
    4    HA   MET   1           HA       MET   1   3.357  11.982  -5.542
    5   1HB   MET   1          2HB       MET   1   1.110  13.931  -4.988
    6   1HG   MET   1          2HG       MET   1   1.222  13.438  -7.367
    7   1HE   MET   1          1HE       MET   1   4.338  15.775  -6.968
    8   2HE   MET   1          2HE       MET   1   4.707  14.470  -5.841
    9   3HE   MET   1          3HE       MET   1   5.668  14.668  -7.307
   10    H    GLN   2           H        GLN   2   0.411  12.251  -3.559
   11    HA   GLN   2           HA       GLN   2   1.945  11.273  -1.264
   12   1HB   GLN   2          2HB       GLN   2   0.200  13.743  -1.236
   13   1HG   GLN   2          2HG       GLN   2   3.096  13.468  -0.507
   14   1HE2  GLN   2          1HE2      GLN   2   2.792  14.691   1.355
   15   2HE2  GLN   2          2HE2      GLN   2   2.415  16.377   1.291
   16    H    PHE   3           H        PHE   3   0.498  10.628   0.562
   17    HA   PHE   3           HA       PHE   3  -2.246  10.018  -0.190
   18   1HB   PHE   3          2HB       PHE   3  -1.922   7.605   0.477
   19    HD1  PHE   3           1HD      PHE   3  -0.617   6.919   2.349
   20    HD2  PHE   3           2HD      PHE   3   1.265   8.321  -1.201
   21    HE1  PHE   3           1HE      PHE   3   1.542   6.063   3.160
   22    HE2  PHE   3           2HE      PHE   3   3.427   7.467  -0.398
   23    HZ   PHE   3           HZ       PHE   3   3.568   6.336   1.785
   24    H    THR   4           H        THR   4  -3.354  10.802   1.466
   25    HA   THR   4           HA       THR   4  -2.234  10.952   4.114
   26    HB   THR   4           HB       THR   4  -4.472  11.899   4.733
   27    HG1  THR   4           1HG      THR   4  -5.963  12.252   3.092
   28   1HG2  THR   4          1HG2      THR   4  -2.624  13.344   4.029
   29   2HG2  THR   4          2HG2      THR   4  -4.177  13.988   3.497
   30   3HG2  THR   4          3HG2      THR   4  -3.122  13.166   2.347
   31    HA   PRO   5           HA       PRO   5  -3.884   7.213   5.751
   32   1HB   PRO   5          2HB       PRO   5  -4.292   7.857   8.337
   33   1HG   PRO   5          2HG       PRO   5  -4.270  10.175   8.183
   34   1HD   PRO   5          2HD       PRO   5  -3.473  11.248   6.317
   35    H    ASP   6           H        ASP   6  -5.861   7.173   4.550
   36    HA   ASP   6           HA       ASP   6  -8.175   6.960   6.076
   37   1HB   ASP   6          2HB       ASP   6  -8.128   9.387   6.272
   38    H    SER   7           H        SER   7  -6.961   7.862   2.869
   39    HA   SER   7           HA       SER   7  -9.127   6.433   1.565
   40   1HB   SER   7          2HB       SER   7  -6.733   7.874   0.399
   41    HG   SER   7           HG       SER   7  -7.965   9.589   0.371
   42    H    ALA   8           H        ALA   8  -8.916   4.567   0.357
   43    HA   ALA   8           HA       ALA   8  -6.863   2.758   1.202
   44   1HB   ALA   8          1HB       ALA   8  -9.016   2.405  -0.881
   45   2HB   ALA   8          2HB       ALA   8  -8.015   1.121  -0.204
   46   3HB   ALA   8          3HB       ALA   8  -9.149   1.993   0.827
   47    H    TRP   9           H        TRP   9  -5.484   1.533  -0.261
   48    HA   TRP   9           HA       TRP   9  -4.895   2.786  -2.830
   49   1HB   TRP   9          2HB       TRP   9  -2.776   2.411  -0.704
   50    HD1  TRP   9           HD       TRP   9  -3.795   4.093   1.075
   51    HE1  TRP   9           1HE      TRP   9  -4.078   6.650   1.084
   52    HE3  TRP   9           3HE      TRP   9  -3.024   5.014  -3.896
   53    HZ2  TRP   9           2HZ      TRP   9  -3.984   8.777  -0.770
   54    HZ3  TRP   9           3HZ      TRP   9  -3.137   7.337  -4.695
   55    HH2  TRP   9           HH       TRP   9  -3.607   9.179  -3.164
   56    H    LYS  10           H        LYS  10  -3.483   1.483  -4.182
   57    HA   LYS  10           HA       LYS  10  -3.646  -1.367  -3.477
   58   1HB   LYS  10          2HB       LYS  10  -3.568  -0.017  -6.179
   59   1HG   LYS  10          2HG       LYS  10  -5.682  -1.738  -4.900
   60   1HD   LYS  10          2HD       LYS  10  -7.006  -1.215  -6.874
   61   1HE   LYS  10          2HE       LYS  10  -4.307  -2.336  -7.613
   62   1HZ   LYS  10          1HZ       LYS  10  -5.695  -1.867  -9.535
   63   2HZ   LYS  10          2HZ       LYS  10  -6.966  -2.754  -8.864
   64   3HZ   LYS  10          3HZ       LYS  10  -5.533  -3.535  -9.305
   65    H    ILE  11           H        ILE  11  -1.857  -2.646  -3.545
   66    HA   ILE  11           HA       ILE  11   0.698  -1.313  -3.526
   67    HB   ILE  11           HB       ILE  11   0.033  -4.244  -3.211
   68   1HG1  ILE  11          2HG1      ILE  11   0.634  -2.113  -1.149
   69   1HG2  ILE  11          1HG2      ILE  11   2.293  -4.421  -2.234
   70   2HG2  ILE  11          2HG2      ILE  11   2.315  -3.978  -3.942
   71   3HG2  ILE  11          3HG2      ILE  11   2.600  -2.750  -2.706
   72   1HD1  ILE  11          1HD1      ILE  11   0.087  -3.820   0.512
   73   2HD1  ILE  11          2HD1      ILE  11  -0.003  -5.028  -0.769
   74   3HD1  ILE  11          3HD1      ILE  11   1.531  -4.234  -0.411
   75    H    THR  12           H        THR  12   2.269  -1.399  -5.028
   76    HA   THR  12           HA       THR  12   2.006  -3.221  -7.298
   77    HB   THR  12           HB       THR  12   2.520  -1.416  -8.909
   78    HG1  THR  12           1HG      THR  12   2.109   0.779  -8.082
   79   1HG2  THR  12          1HG2      THR  12   0.018  -0.911  -7.291
   80   2HG2  THR  12          2HG2      THR  12   0.193  -2.116  -8.567
   81   3HG2  THR  12          3HG2      THR  12   0.297  -0.399  -8.956
   82    H    GLY  13           H        GLY  13   3.728  -3.835  -5.484
   83   1HA   GLY  13          1HA       GLY  13   6.232  -2.525  -5.516
   84   2HA   GLY  13          2HA       GLY  13   5.939  -4.167  -4.969
   85    H    PHE  14           H        PHE  14   6.838  -2.150  -7.661
   86    HA   PHE  14           HA       PHE  14   8.141  -4.439  -8.906
   87   1HB   PHE  14          2HB       PHE  14   5.981  -4.380 -10.031
   88    HD1  PHE  14           1HD      PHE  14   7.998  -5.871 -10.929
   89    HD2  PHE  14           2HD      PHE  14   6.860  -2.072 -12.470
   90    HE1  PHE  14           1HE      PHE  14   9.082  -6.420 -13.069
   91    HE2  PHE  14           2HE      PHE  14   7.941  -2.612 -14.613
   92    HZ   PHE  14           HZ       PHE  14   9.056  -4.795 -14.913
   93    H    SER  15           H        SER  15  10.133  -3.570  -8.468
   94    HA   SER  15           HA       SER  15  10.701  -0.869  -9.454
   95   1HB   SER  15          2HB       SER  15  12.461  -2.641  -7.748
   96    HG   SER  15           HG       SER  15  11.724  -1.193  -6.062
   97    H    ARG  16           H        ARG  16  12.462  -0.450 -10.807
   98    HA   ARG  16           HA       ARG  16  12.848  -2.149 -12.949
   99   1HB   ARG  16          2HB       ARG  16  14.611  -0.694 -13.659
  100   1HG   ARG  16          2HG       ARG  16  15.886  -0.636 -11.520
  101   1HD   ARG  16          2HD       ARG  16  13.747   1.351 -10.793
  102    HE   ARG  16           HE       ARG  16  16.395   1.669 -10.146
  103   1HH1  ARG  16          2HH1      ARG  16  13.444   1.086  -8.391
  104   2HH1  ARG  16          1HH1      ARG  16  13.967   1.932  -6.974
  105   1HH2  ARG  16          2HH2      ARG  16  17.092   2.790  -8.285
  106   2HH2  ARG  16          1HH2      ARG  16  16.039   2.904  -6.914
  107    H    ASP  17           H        ASP  17  14.345  -2.219  -9.841
  108    HA   ASP  17           HA       ASP  17  15.829  -4.598 -10.615
  109   1HB   ASP  17          2HB       ASP  17  17.161  -2.170  -9.401
  110    H    ILE  18           H        ILE  18  13.511  -4.144  -8.967
  111    HA   ILE  18           HA       ILE  18  13.811  -3.945  -6.276
  112    HB   ILE  18           HB       ILE  18  11.644  -4.351  -7.320
  113   1HG1  ILE  18          2HG1      ILE  18  12.386  -6.414  -5.233
  114   1HG2  ILE  18          1HG2      ILE  18  12.639  -7.171  -7.703
  115   2HG2  ILE  18          2HG2      ILE  18  10.982  -6.630  -7.973
  116   3HG2  ILE  18          3HG2      ILE  18  12.291  -5.996  -8.971
  117   1HD1  ILE  18          1HD1      ILE  18   9.675  -5.303  -5.909
  118   2HD1  ILE  18          2HD1      ILE  18  10.216  -6.961  -6.170
  119   3HD1  ILE  18          3HD1      ILE  18  10.057  -6.331  -4.530
  120    H    SER  19           H        SER  19  14.282  -5.325  -4.548
  121    HA   SER  19           HA       SER  19  16.153  -7.468  -5.223
  122   1HB   SER  19          2HB       SER  19  15.593  -6.105  -2.577
  123    HG   SER  19           HG       SER  19  17.871  -5.917  -4.253
  124    HA   PRO  20           HA       PRO  20  13.469 -10.762  -4.070
  125   1HB   PRO  20          2HB       PRO  20  15.167 -12.464  -2.787
  126   1HG   PRO  20          2HG       PRO  20  16.978 -11.038  -2.506
  127   1HD   PRO  20          2HD       PRO  20  17.177  -9.064  -3.688
  128    H    ALA  21           H        ALA  21  15.529  -9.432  -1.529
  129    HA   ALA  21           HA       ALA  21  14.450 -10.565   0.728
  130   1HB   ALA  21          1HB       ALA  21  15.269  -7.678   0.411
  131   2HB   ALA  21          2HB       ALA  21  15.130  -8.560   1.932
  132   3HB   ALA  21          3HB       ALA  21  16.357  -9.023   0.753
  133    H    TYR  22           H        TYR  22  13.249  -7.775  -1.087
  134    HA   TYR  22           HA       TYR  22  10.900  -7.552   0.592
  135   1HB   TYR  22          2HB       TYR  22  11.690  -6.077  -1.931
  136    HD1  TYR  22           1HD      TYR  22  13.900  -5.411  -1.275
  137    HD2  TYR  22           2HD      TYR  22  10.589  -4.729   1.309
  138    HE1  TYR  22           1HE      TYR  22  15.287  -3.916   0.098
  139    HE2  TYR  22           2HE      TYR  22  11.968  -3.234   2.690
  140    HH   TYR  22           HH       TYR  22  15.006  -2.077   1.680
  141    H    ARG  23           H        ARG  23  11.638  -8.369  -2.787
  142    HA   ARG  23           HA       ARG  23   9.045  -8.896  -3.654
  143   1HB   ARG  23          2HB       ARG  23  10.939  -8.722  -5.185
  144   1HG   ARG  23          2HG       ARG  23  10.588 -10.698  -6.613
  145   1HD   ARG  23          2HD       ARG  23   8.032  -9.647  -5.410
  146    HE   ARG  23           HE       ARG  23   8.307 -11.451  -7.467
  147   1HH1  ARG  23          2HH1      ARG  23   6.990  -8.249  -7.082
  148   2HH1  ARG  23          1HH1      ARG  23   5.794  -8.451  -8.319
  149   1HH2  ARG  23          2HH2      ARG  23   6.739 -11.727  -9.097
  150   2HH2  ARG  23          1HH2      ARG  23   5.653 -10.430  -9.464
  151    H    GLN  24           H        GLN  24  11.480 -11.323  -2.672
  152    HA   GLN  24           HA       GLN  24   9.839 -13.541  -2.673
  153   1HB   GLN  24          2HB       GLN  24  12.244 -13.706  -2.404
  154   1HG   GLN  24          2HG       GLN  24  10.672 -15.457  -1.301
  155   1HE2  GLN  24          1HE2      GLN  24  13.161 -14.761   1.032
  156   2HE2  GLN  24          2HE2      GLN  24  12.123 -14.660   2.409
  157    H    LYS  25           H        LYS  25  10.160 -11.051  -0.218
  158    HA   LYS  25           HA       LYS  25   8.856 -12.348   1.890
  159   1HB   LYS  25          2HB       LYS  25  10.096 -10.371   2.347
  160   1HG   LYS  25          2HG       LYS  25   7.187  -9.675   2.594
  161   1HD   LYS  25          2HD       LYS  25   7.968  -8.211   4.446
  162   1HE   LYS  25          2HE       LYS  25   9.099  -7.566   1.725
  163   1HZ   LYS  25          1HZ       LYS  25   8.818  -5.261   2.430
  164   2HZ   LYS  25          2HZ       LYS  25   9.948  -6.066   3.398
  165   3HZ   LYS  25          3HZ       LYS  25   8.389  -5.775   3.985
  166    H    LEU  26           H        LEU  26   7.585 -10.381  -0.774
  167    HA   LEU  26           HA       LEU  26   4.888 -10.448   0.180
  168   1HB   LEU  26          2HB       LEU  26   6.194  -9.614  -2.384
  169    HG   LEU  26           HG       LEU  26   4.450  -8.122  -0.419
  170   1HD1  LEU  26          1HD1      LEU  26   6.396  -6.868   0.123
  171   2HD1  LEU  26          2HD1      LEU  26   6.814  -8.575   0.261
  172   3HD1  LEU  26          3HD1      LEU  26   7.328  -7.652  -1.151
  173   1HD2  LEU  26          1HD2      LEU  26   5.713  -7.203  -2.998
  174   2HD2  LEU  26          2HD2      LEU  26   3.988  -7.386  -2.681
  175   3HD2  LEU  26          3HD2      LEU  26   4.917  -6.159  -1.822
  176    H    LEU  27           H        LEU  27   6.551 -12.085  -2.517
  177    HA   LEU  27           HA       LEU  27   4.526 -13.602  -3.533
  178   1HB   LEU  27          2HB       LEU  27   7.401 -14.405  -3.095
  179    HG   LEU  27           HG       LEU  27   7.118 -12.441  -4.584
  180   1HD1  LEU  27          1HD1      LEU  27   8.980 -13.958  -4.929
  181   2HD1  LEU  27          2HD1      LEU  27   7.973 -14.995  -5.941
  182   3HD1  LEU  27          3HD1      LEU  27   8.380 -13.364  -6.476
  183   1HD2  LEU  27          1HD2      LEU  27   4.898 -12.895  -5.430
  184   2HD2  LEU  27          2HD2      LEU  27   6.037 -12.785  -6.772
  185   3HD2  LEU  27          3HD2      LEU  27   5.469 -14.361  -6.222
  186    H    SER  28           H        SER  28   6.360 -14.208  -0.590
  187    HA   SER  28           HA       SER  28   5.348 -16.819  -0.121
  188   1HB   SER  28          2HB       SER  28   6.264 -16.536   2.148
  189    HG   SER  28           HG       SER  28   6.745 -13.863   1.322
  190    H    LEU  29           H        LEU  29   4.083 -13.651   0.431
  191    HA   LEU  29           HA       LEU  29   2.041 -14.666   2.265
  192   1HB   LEU  29          2HB       LEU  29   2.557 -11.841   1.334
  193    HG   LEU  29           HG       LEU  29   4.425 -12.589   2.727
  194   1HD1  LEU  29          1HD1      LEU  29   2.521 -10.781   4.207
  195   2HD1  LEU  29          2HD1      LEU  29   4.259 -10.898   4.474
  196   3HD1  LEU  29          3HD1      LEU  29   3.642 -10.286   2.938
  197   1HD2  LEU  29          1HD2      LEU  29   3.291 -14.416   3.887
  198   2HD2  LEU  29          2HD2      LEU  29   4.050 -13.307   5.029
  199   3HD2  LEU  29          3HD2      LEU  29   2.306 -13.250   4.770
  200    H    GLY  30           H        GLY  30   2.481 -13.711  -1.027
  201   1HA   GLY  30          1HA       GLY  30   0.946 -14.393  -2.717
  202   2HA   GLY  30          2HA       GLY  30  -0.344 -14.330  -1.528
  203    H    MET  31           H        MET  31   1.607 -11.609  -1.234
  204    HA   MET  31           HA       MET  31  -0.430  -9.977  -2.510
  205   1HB   MET  31          2HB       MET  31   1.894  -9.335  -0.699
  206   1HG   MET  31          2HG       MET  31   0.178  -8.441   0.784
  207   1HE   MET  31          1HE       MET  31  -1.632 -11.445   2.564
  208   2HE   MET  31          2HE       MET  31  -1.239  -9.728   2.641
  209   3HE   MET  31          3HE       MET  31  -2.407 -10.312   1.458
  210    H    LEU  32           H        LEU  32  -0.034 -10.261  -4.695
  211    HA   LEU  32           HA       LEU  32   2.608  -9.573  -5.737
  212   1HB   LEU  32          2HB       LEU  32   0.128 -10.649  -7.080
  213    HG   LEU  32           HG       LEU  32   2.801 -11.977  -6.611
  214   1HD1  LEU  32          1HD1      LEU  32   0.080 -12.395  -5.400
  215   2HD1  LEU  32          2HD1      LEU  32   1.356 -13.612  -5.342
  216   3HD1  LEU  32          3HD1      LEU  32   1.600 -12.043  -4.578
  217   1HD2  LEU  32          1HD2      LEU  32   1.767 -13.925  -7.670
  218   2HD2  LEU  32          2HD2      LEU  32   0.317 -12.977  -8.003
  219   3HD2  LEU  32          3HD2      LEU  32   1.845 -12.555  -8.779
  220    HA   PRO  33           HA       PRO  33   1.925  -5.463  -7.138
  221   1HB   PRO  33          2HB       PRO  33   2.084  -6.528  -9.933
  222   1HG   PRO  33          2HG       PRO  33   4.205  -7.431  -9.595
  223   1HD   PRO  33          2HD       PRO  33   3.000  -9.011  -8.448
  224    H    GLY  34           H        GLY  34  -0.006  -4.530  -7.049
  225   1HA   GLY  34          1HA       GLY  34  -2.007  -3.838  -8.211
  226   2HA   GLY  34          2HA       GLY  34  -2.112  -5.457  -8.888
  227    H    SER  35           H        SER  35  -1.285  -5.072  -5.553
  228    HA   SER  35           HA       SER  35  -3.734  -6.435  -4.786
  229   1HB   SER  35          2HB       SER  35  -1.611  -7.231  -3.853
  230    HG   SER  35           HG       SER  35  -2.796  -7.688  -2.194
  231    H    SER  36           H        SER  36  -4.653  -5.680  -2.560
  232    HA   SER  36           HA       SER  36  -4.967  -2.748  -2.626
  233   1HB   SER  36          2HB       SER  36  -6.983  -3.827  -3.507
  234    HG   SER  36           HG       SER  36  -8.405  -2.787  -2.201
  235    H    PHE  37           H        PHE  37  -5.132  -1.682  -0.663
  236    HA   PHE  37           HA       PHE  37  -5.244  -3.122   1.825
  237   1HB   PHE  37          2HB       PHE  37  -3.076  -2.539   2.663
  238    HD1  PHE  37           1HD      PHE  37  -2.146  -0.452   3.061
  239    HD2  PHE  37           2HD      PHE  37  -2.518  -1.846  -0.941
  240    HE1  PHE  37           1HE      PHE  37  -0.838   1.476   2.272
  241    HE2  PHE  37           2HE      PHE  37  -1.207   0.077  -1.737
  242    HZ   PHE  37           HZ       PHE  37  -0.364   1.742  -0.128
  243    H    HIS  38           H        HIS  38  -4.557  -1.385   3.656
  244    HA   HIS  38           HA       HIS  38  -5.749   1.197   2.912
  245   1HB   HIS  38          2HB       HIS  38  -7.471  -0.165   4.014
  246    HD1  HIS  38           1HD      HIS  38  -8.856   1.935   3.958
  247    HD2  HIS  38           2HD      HIS  38  -5.971   1.986   6.947
  248    HE1  HIS  38           1HE      HIS  38  -9.376   3.957   5.359
  249    HE2  HIS  38           2HE      HIS  38  -7.569   4.014   7.114
  250    H    VAL  39           H        VAL  39  -4.706   2.940   3.664
  251    HA   VAL  39           HA       VAL  39  -2.229   2.580   5.080
  252    HB   VAL  39           HB       VAL  39  -2.373   4.245   3.308
  253   1HG1  VAL  39          1HG1      VAL  39  -4.465   5.491   5.072
  254   2HG1  VAL  39          2HG1      VAL  39  -3.649   6.369   3.777
  255   3HG1  VAL  39          3HG1      VAL  39  -4.629   4.953   3.402
  256   1HG2  VAL  39          1HG2      VAL  39  -1.975   5.519   6.013
  257   2HG2  VAL  39          2HG2      VAL  39  -0.768   4.596   5.118
  258   3HG2  VAL  39          3HG2      VAL  39  -1.357   6.129   4.478
  259    H    VAL  40           H        VAL  40  -1.778   3.000   7.183
  260    HA   VAL  40           HA       VAL  40  -4.051   3.546   8.931
  261    HB   VAL  40           HB       VAL  40  -1.241   2.694   9.643
  262   1HG1  VAL  40          1HG1      VAL  40  -2.347   3.887  11.459
  263   2HG1  VAL  40          2HG1      VAL  40  -3.742   2.818  11.326
  264   3HG1  VAL  40          3HG1      VAL  40  -2.184   2.174  11.840
  265   1HG2  VAL  40          1HG2      VAL  40  -3.783   1.081   9.449
  266   2HG2  VAL  40          2HG2      VAL  40  -2.411   0.995   8.344
  267   3HG2  VAL  40          3HG2      VAL  40  -2.225   0.485  10.021
  268    H    ARG  41           H        ARG  41  -0.698   4.710   8.523
  269    HA   ARG  41           HA       ARG  41  -1.544   7.399   9.192
  270   1HB   ARG  41          2HB       ARG  41   0.004   7.683  11.039
  271   1HG   ARG  41          2HG       ARG  41   0.646   4.771  10.639
  272   1HD   ARG  41          2HD       ARG  41   2.033   5.010  12.669
  273    HE   ARG  41           HE       ARG  41  -0.617   4.482  12.694
  274   1HH1  ARG  41          2HH1      ARG  41   1.503   6.170  14.879
  275   2HH1  ARG  41          1HH1      ARG  41   0.585   5.763  16.290
  276   1HH2  ARG  41          2HH2      ARG  41  -1.833   3.938  14.544
  277   2HH2  ARG  41          1HH2      ARG  41  -1.308   4.489  16.100
  278    H    VAL  42           H        VAL  42  -0.257   8.942   8.284
  279    HA   VAL  42           HA       VAL  42   2.398   8.230   7.328
  280    HB   VAL  42           HB       VAL  42   0.356   9.334   5.397
  281   1HG1  VAL  42          1HG1      VAL  42   3.171   8.316   5.033
  282   2HG1  VAL  42          2HG1      VAL  42   2.084   8.777   3.722
  283   3HG1  VAL  42          3HG1      VAL  42   2.626   9.987   4.886
  284   1HG2  VAL  42          1HG2      VAL  42   1.414   6.519   5.618
  285   2HG2  VAL  42          2HG2      VAL  42  -0.230   7.039   5.987
  286   3HG2  VAL  42          3HG2      VAL  42   0.374   7.131   4.333
  287    H    ALA  43           H        ALA  43   3.633  10.093   6.594
  288    HA   ALA  43           HA       ALA  43   2.565  12.650   7.598
  289   1HB   ALA  43          1HB       ALA  43   5.397  11.663   7.912
  290   2HB   ALA  43          2HB       ALA  43   4.758  13.207   8.477
  291   3HB   ALA  43          3HB       ALA  43   4.179  11.698   9.186
  292    HA   PRO  44           HA       PRO  44   3.636  14.265   3.622
  293   1HB   PRO  44          2HB       PRO  44   3.885  16.899   4.259
  294   1HG   PRO  44          2HG       PRO  44   3.914  16.726   6.575
  295   1HD   PRO  44          2HD       PRO  44   3.234  14.809   7.664
  296    H    LEU  45           H        LEU  45   5.672  14.720   6.404
  297    HA   LEU  45           HA       LEU  45   7.886  15.747   4.821
  298   1HB   LEU  45          2HB       LEU  45   7.507  15.193   7.751
  299    HG   LEU  45           HG       LEU  45   8.011  17.548   8.066
  300   1HD1  LEU  45          1HD1      LEU  45   8.175  17.691   5.060
  301   2HD1  LEU  45          2HD1      LEU  45   8.263  19.057   6.171
  302   3HD1  LEU  45          3HD1      LEU  45   9.532  17.832   6.176
  303   1HD2  LEU  45          1HD2      LEU  45   6.007  18.509   7.069
  304   2HD2  LEU  45          2HD2      LEU  45   5.880  17.133   5.973
  305   3HD2  LEU  45          3HD2      LEU  45   5.680  16.898   7.709
  306    H    GLY  46           H        GLY  46   7.340  12.959   6.981
  307   1HA   GLY  46          1HA       GLY  46   8.170  10.914   5.422
  308   2HA   GLY  46          2HA       GLY  46   9.689  11.619   5.954
  309    H    ASP  47           H        ASP  47   7.209   9.466   6.699
  310    HA   ASP  47           HA       ASP  47   8.446   8.872   9.263
  311   1HB   ASP  47          2HB       ASP  47   5.543   9.631   8.946
  312    HA   PRO  48           HA       PRO  48   7.342   4.738   8.166
  313   1HB   PRO  48          2HB       PRO  48   6.857   3.803  10.815
  314   1HG   PRO  48          2HG       PRO  48   7.929   5.270  12.184
  315   1HD   PRO  48          2HD       PRO  48   6.603   6.936  11.286
  316    H    VAL  49           H        VAL  49   5.516   4.175   7.209
  317    HA   VAL  49           HA       VAL  49   2.979   4.473   8.659
  318    HB   VAL  49           HB       VAL  49   2.865   5.737   6.674
  319   1HG1  VAL  49          1HG1      VAL  49   3.448   4.834   4.452
  320   2HG1  VAL  49          2HG1      VAL  49   4.825   4.915   5.553
  321   3HG1  VAL  49          3HG1      VAL  49   4.040   3.368   5.234
  322   1HG2  VAL  49          1HG2      VAL  49   0.872   4.364   7.024
  323   2HG2  VAL  49          2HG2      VAL  49   1.168   4.626   5.305
  324   3HG2  VAL  49          3HG2      VAL  49   1.578   3.079   6.045
  325    H    HIS  50           H        HIS  50   1.330   2.824   8.263
  326    HA   HIS  50           HA       HIS  50   2.501   0.155   7.830
  327   1HB   HIS  50          2HB       HIS  50   0.503   1.033   9.917
  328    HD1  HIS  50           1HD      HIS  50   2.051   2.098  11.571
  329    HD2  HIS  50           2HD      HIS  50   3.513  -1.509  10.117
  330    HE1  HIS  50           1HE      HIS  50   4.090   1.594  12.953
  331    HE2  HIS  50           2HE      HIS  50   4.923  -0.625  12.097
  332    H    ILE  51           H        ILE  51   1.426  -1.205   6.523
  333    HA   ILE  51           HA       ILE  51  -1.021  -0.189   5.259
  334    HB   ILE  51           HB       ILE  51  -0.568  -1.761   3.446
  335   1HG1  ILE  51          2HG1      ILE  51   1.921  -2.476   5.014
  336   1HG2  ILE  51          1HG2      ILE  51   0.410   0.496   3.394
  337   2HG2  ILE  51          2HG2      ILE  51   1.877  -0.139   4.137
  338   3HG2  ILE  51          3HG2      ILE  51   1.396  -0.684   2.529
  339   1HD1  ILE  51          1HD1      ILE  51   2.357  -4.124   3.314
  340   2HD1  ILE  51          2HD1      ILE  51   0.929  -3.612   2.414
  341   3HD1  ILE  51          3HD1      ILE  51   2.297  -2.516   2.592
  342    H    GLU  52           H        GLU  52  -2.902  -1.339   5.248
  343    HA   GLU  52           HA       GLU  52  -2.945  -3.748   6.934
  344   1HB   GLU  52          2HB       GLU  52  -5.189  -1.824   6.298
  345   1HG   GLU  52          2HG       GLU  52  -3.669  -2.239   8.863
  346    H    THR  53           H        THR  53  -2.922  -5.520   5.729
  347    HA   THR  53           HA       THR  53  -4.546  -5.584   3.272
  348    HB   THR  53           HB       THR  53  -3.119  -7.496   2.575
  349    HG1  THR  53           1HG      THR  53  -1.172  -7.825   3.794
  350   1HG2  THR  53          1HG2      THR  53  -1.105  -6.173   2.074
  351   2HG2  THR  53          2HG2      THR  53  -1.619  -4.961   3.246
  352   3HG2  THR  53          3HG2      THR  53  -2.581  -5.249   1.796
  353    H    ARG  54           H        ARG  54  -4.922  -8.173   2.812
  354    HA   ARG  54           HA       ARG  54  -7.056  -8.938   4.344
  355   1HB   ARG  54          2HB       ARG  54  -5.117 -10.651   2.795
  356   1HG   ARG  54          2HG       ARG  54  -6.418  -9.097   1.432
  357   1HD   ARG  54          2HD       ARG  54  -8.786 -10.482   2.682
  358    HE   ARG  54           HE       ARG  54  -8.619  -9.121   0.167
  359   1HH1  ARG  54          2HH1      ARG  54 -10.654  -9.767   2.917
  360   2HH1  ARG  54          1HH1      ARG  54 -12.132  -9.530   2.044
  361   1HH2  ARG  54          2HH2      ARG  54 -10.558  -8.811  -0.994
  362   2HH2  ARG  54          1HH2      ARG  54 -12.077  -8.990  -0.182
  363    H    ARG  55           H        ARG  55  -6.726  -8.709   6.539
  364    HA   ARG  55           HA       ARG  55  -6.127  -9.276   8.650
  365   1HB   ARG  55          2HB       ARG  55  -5.698 -12.013   7.440
  366   1HG   ARG  55          2HG       ARG  55  -7.925 -11.208   6.867
  367   1HD   ARG  55          2HD       ARG  55  -8.316 -10.893   9.839
  368    HE   ARG  55           HE       ARG  55 -10.229 -11.198   7.794
  369   1HH1  ARG  55          2HH1      ARG  55  -9.518  -9.210  10.565
  370   2HH1  ARG  55          1HH1      ARG  55 -11.179  -8.831  10.880
  371   1HH2  ARG  55          2HH2      ARG  55 -12.415 -10.704   8.198
  372   2HH2  ARG  55          1HH2      ARG  55 -12.826  -9.681   9.533
  373    H    VAL  56           H        VAL  56  -4.021  -8.218   7.031
  374    HA   VAL  56           HA       VAL  56  -1.767  -9.185   8.582
  375    HB   VAL  56           HB       VAL  56  -1.658  -9.138   5.562
  376   1HG1  VAL  56          1HG1      VAL  56   0.492  -9.740   7.590
  377   2HG1  VAL  56          2HG1      VAL  56   0.648  -9.940   5.845
  378   3HG1  VAL  56          3HG1      VAL  56   0.416  -8.332   6.531
  379   1HG2  VAL  56          1HG2      VAL  56  -1.237 -11.535   5.735
  380   2HG2  VAL  56          2HG2      VAL  56  -1.417 -11.447   7.488
  381   3HG2  VAL  56          3HG2      VAL  56  -2.797 -11.115   6.444
  382    H    SER  57           H        SER  57  -1.047  -7.378   9.487
  383    HA   SER  57           HA       SER  57  -1.060  -4.897   7.913
  384   1HB   SER  57          2HB       SER  57  -2.286  -4.760  10.024
  385    HG   SER  57           HG       SER  57  -0.095  -3.349  10.835
  386    H    LEU  58           H        LEU  58   0.814  -4.631   6.886
  387    HA   LEU  58           HA       LEU  58   3.306  -5.357   8.260
  388   1HB   LEU  58          2HB       LEU  58   2.740  -4.810   5.347
  389    HG   LEU  58           HG       LEU  58   1.988  -7.048   6.064
  390   1HD1  LEU  58          1HD1      LEU  58   3.256  -8.329   4.416
  391   2HD1  LEU  58          2HD1      LEU  58   2.846  -6.725   3.807
  392   3HD1  LEU  58          3HD1      LEU  58   4.483  -7.063   4.371
  393   1HD2  LEU  58          1HD2      LEU  58   3.494  -7.339   7.963
  394   2HD2  LEU  58          2HD2      LEU  58   3.625  -8.686   6.835
  395   3HD2  LEU  58          3HD2      LEU  58   4.869  -7.439   6.865
  396    H    VAL  59           H        VAL  59   5.138  -3.910   8.102
  397    HA   VAL  59           HA       VAL  59   4.290  -1.102   8.193
  398    HB   VAL  59           HB       VAL  59   5.389  -2.016  10.219
  399   1HG1  VAL  59          1HG1      VAL  59   7.797  -2.271   8.424
  400   2HG1  VAL  59          2HG1      VAL  59   7.794  -2.482  10.174
  401   3HG1  VAL  59          3HG1      VAL  59   6.894  -3.600   9.150
  402   1HG2  VAL  59          1HG2      VAL  59   6.936   0.132   8.771
  403   2HG2  VAL  59          2HG2      VAL  59   5.491   0.367   9.755
  404   3HG2  VAL  59          3HG2      VAL  59   6.992  -0.175  10.508
  405    H    LEU  60           H        LEU  60   5.320   0.481   7.020
  406    HA   LEU  60           HA       LEU  60   7.463  -0.326   5.194
  407   1HB   LEU  60          2HB       LEU  60   4.922   1.080   4.364
  408    HG   LEU  60           HG       LEU  60   4.644  -1.364   4.429
  409   1HD1  LEU  60          1HD1      LEU  60   3.965  -1.666   2.094
  410   2HD1  LEU  60          2HD1      LEU  60   3.474  -0.093   2.725
  411   3HD1  LEU  60          3HD1      LEU  60   4.868  -0.216   1.652
  412   1HD2  LEU  60          1HD2      LEU  60   5.977  -2.782   2.947
  413   2HD2  LEU  60          2HD2      LEU  60   6.979  -1.395   2.521
  414   3HD2  LEU  60          3HD2      LEU  60   6.980  -2.008   4.173
  415    H    ARG  61           H        ARG  61   9.100   1.028   5.490
  416    HA   ARG  61           HA       ARG  61   8.596   3.682   6.584
  417   1HB   ARG  61          2HB       ARG  61  11.229   2.289   6.060
  418   1HG   ARG  61          2HG       ARG  61   9.765   2.575   8.676
  419   1HD   ARG  61          2HD       ARG  61  11.532   1.070   9.503
  420    HE   ARG  61           HE       ARG  61  11.915   3.760   9.017
  421   1HH1  ARG  61          2HH1      ARG  61  13.895   0.917   9.372
  422   2HH1  ARG  61          1HH1      ARG  61  15.249   1.783  10.016
  423   1HH2  ARG  61          2HH2      ARG  61  13.694   4.911   9.864
  424   2HH2  ARG  61          1HH2      ARG  61  15.134   4.052  10.298
  425    H    LYS  62           H        LYS  62  10.062   5.460   5.720
  426    HA   LYS  62           HA       LYS  62   9.334   6.223   3.202
  427   1HB   LYS  62          2HB       LYS  62  11.036   7.905   3.311
  428   1HG   LYS  62          2HG       LYS  62  12.961   6.449   3.868
  429   1HD   LYS  62          2HD       LYS  62  11.795   6.586   6.647
  430   1HE   LYS  62          2HE       LYS  62  13.779   5.368   7.355
  431   1HZ   LYS  62          1HZ       LYS  62  13.857   7.782   7.493
  432   2HZ   LYS  62          2HZ       LYS  62  14.497   7.873   5.930
  433   3HZ   LYS  62          3HZ       LYS  62  15.393   7.148   7.169
  434    H    LYS  63           H        LYS  63  11.882   4.032   4.083
  435    HA   LYS  63           HA       LYS  63  13.149   4.125   1.485
  436   1HB   LYS  63          2HB       LYS  63  14.592   2.332   2.390
  437   1HG   LYS  63          2HG       LYS  63  13.019   2.654   4.937
  438   1HD   LYS  63          2HD       LYS  63  14.455   0.884   5.777
  439   1HE   LYS  63          2HE       LYS  63  16.066   3.124   4.561
  440   1HZ   LYS  63          1HZ       LYS  63  16.625   1.425   6.933
  441   2HZ   LYS  63          2HZ       LYS  63  17.556   2.739   6.416
  442   3HZ   LYS  63          3HZ       LYS  63  17.447   1.352   5.455
  443    H    ASP  64           H        ASP  64  11.096   1.892   3.313
  444    HA   ASP  64           HA       ASP  64  11.127  -0.261   1.554
  445   1HB   ASP  64          2HB       ASP  64   8.870   0.715   3.316
  446    H    LEU  65           H        LEU  65   9.306   2.738   1.429
  447    HA   LEU  65           HA       LEU  65   7.665   1.861  -0.778
  448   1HB   LEU  65          2HB       LEU  65   8.047   4.551   0.528
  449    HG   LEU  65           HG       LEU  65   5.780   2.566   0.624
  450   1HD1  LEU  65          1HD1      LEU  65   6.060   2.854   3.057
  451   2HD1  LEU  65          2HD1      LEU  65   7.501   2.200   2.279
  452   3HD1  LEU  65          3HD1      LEU  65   7.447   3.898   2.751
  453   1HD2  LEU  65          1HD2      LEU  65   4.507   4.274   1.827
  454   2HD2  LEU  65          2HD2      LEU  65   5.783   5.449   1.509
  455   3HD2  LEU  65          3HD2      LEU  65   4.854   4.771   0.171
  456    H    ALA  66           H        ALA  66  10.754   3.321  -0.387
  457    HA   ALA  66           HA       ALA  66  10.987   4.784  -2.755
  458   1HB   ALA  66          1HB       ALA  66  13.401   4.529  -2.482
  459   2HB   ALA  66          2HB       ALA  66  12.622   4.910  -0.946
  460   3HB   ALA  66          3HB       ALA  66  13.137   3.258  -1.289
  461    H    LEU  67           H        LEU  67  10.988   1.366  -2.195
  462    HA   LEU  67           HA       LEU  67  11.981   0.834  -4.897
  463   1HB   LEU  67          2HB       LEU  67  11.421  -1.010  -2.577
  464    HG   LEU  67           HG       LEU  67  13.511   0.287  -2.321
  465   1HD1  LEU  67          1HD1      LEU  67  15.012  -1.635  -2.036
  466   2HD1  LEU  67          2HD1      LEU  67  13.394  -1.957  -1.412
  467   3HD1  LEU  67          3HD1      LEU  67  13.893  -2.634  -2.964
  468   1HD2  LEU  67          1HD2      LEU  67  14.259  -1.010  -4.939
  469   2HD2  LEU  67          2HD2      LEU  67  13.976   0.709  -4.670
  470   3HD2  LEU  67          3HD2      LEU  67  15.350  -0.088  -3.902
  471    H    ILE  68           H        ILE  68   9.365  -0.507  -2.860
  472    HA   ILE  68           HA       ILE  68   7.874  -1.468  -5.056
  473    HB   ILE  68           HB       ILE  68   6.058  -1.837  -3.490
  474   1HG1  ILE  68          2HG1      ILE  68   7.697  -0.120  -1.614
  475   1HG2  ILE  68          1HG2      ILE  68   7.244  -3.206  -1.825
  476   2HG2  ILE  68          2HG2      ILE  68   7.893  -3.416  -3.452
  477   3HG2  ILE  68          3HG2      ILE  68   8.757  -2.421  -2.281
  478   1HD1  ILE  68          1HD1      ILE  68   5.168  -1.635  -1.020
  479   2HD1  ILE  68          2HD1      ILE  68   6.766  -1.981  -0.357
  480   3HD1  ILE  68          3HD1      ILE  68   5.954  -0.468   0.042
  481    H    GLU  69           H        GLU  69   6.154  -0.629  -6.173
  482    HA   GLU  69           HA       GLU  69   5.845   2.268  -6.008
  483   1HB   GLU  69          2HB       GLU  69   6.248   0.922  -8.180
  484   1HG   GLU  69          2HG       GLU  69   3.905   2.810  -8.161
  485    H    LEU  70           H        LEU  70   3.744   3.263  -6.004
  486    HA   LEU  70           HA       LEU  70   1.695   1.576  -4.723
  487   1HB   LEU  70          2HB       LEU  70   2.736   3.336  -3.275
  488    HG   LEU  70           HG       LEU  70  -0.204   3.781  -3.819
  489   1HD1  LEU  70          1HD1      LEU  70   0.336   1.450  -3.315
  490   2HD1  LEU  70          2HD1      LEU  70   1.172   1.959  -1.849
  491   3HD1  LEU  70          3HD1      LEU  70  -0.569   2.205  -2.003
  492   1HD2  LEU  70          1HD2      LEU  70  -0.266   4.617  -1.515
  493   2HD2  LEU  70          2HD2      LEU  70   1.487   4.454  -1.411
  494   3HD2  LEU  70          3HD2      LEU  70   0.773   5.606  -2.540
  495    H    GLU  71           H        GLU  71  -0.541   2.182  -5.123
  496    HA   GLU  71           HA       GLU  71  -1.026   3.833  -7.475
  497   1HB   GLU  71          2HB       GLU  71  -0.626   1.572  -8.362
  498   1HG   GLU  71          2HG       GLU  71  -3.540   2.318  -8.489
  499    H    ALA  72           H        ALA  72  -3.241   4.427  -7.756
  500    HA   ALA  72           HA       ALA  72  -4.648   4.635  -5.242
  501   1HB   ALA  72          1HB       ALA  72  -6.213   6.066  -6.533
  502   2HB   ALA  72          2HB       ALA  72  -4.533   6.595  -6.629
  503   3HB   ALA  72          3HB       ALA  72  -5.264   5.731  -7.982
  504    H    VAL  73           H        VAL  73  -7.092   4.350  -5.287
  505    HA   VAL  73           HA       VAL  73  -7.662   1.690  -6.374
  506    HB   VAL  73           HB       VAL  73  -9.500   1.589  -4.785
  507   1HG1  VAL  73          1HG1      VAL  73  -6.901   2.511  -3.570
  508   2HG1  VAL  73          2HG1      VAL  73  -8.194   1.710  -2.677
  509   3HG1  VAL  73          3HG1      VAL  73  -7.358   0.857  -3.975
  510   1HG2  VAL  73          1HG2      VAL  73  -8.669   4.363  -3.938
  511   2HG2  VAL  73          2HG2      VAL  73 -10.127   3.963  -4.846
  512   3HG2  VAL  73          3HG2      VAL  73  -9.928   3.378  -3.195
  513    H    ALA  74           H        ALA  74 -10.252   1.501  -6.668
  514    HA   ALA  74           HA       ALA  74 -11.143   3.764  -8.318
  515   1HB   ALA  74          1HB       ALA  74 -11.921   2.239 -10.054
  516   2HB   ALA  74          2HB       ALA  74 -10.181   2.086  -9.812
  517   3HB   ALA  74          3HB       ALA  74 -11.276   0.869  -9.154
  518    H    GLN  75           H        GLN  75 -12.247   0.567  -7.158
  519    HA   GLN  75           HA       GLN  75 -14.529   1.834  -5.878
  520   1HB   GLN  75          2HB       GLN  75 -16.165   0.361  -6.958
  521   1HG   GLN  75          2HG       GLN  75 -14.565  -1.456  -7.586
  522   1HE2  GLN  75          1HE2      GLN  75 -13.079  -2.287  -9.033
  523   2HE2  GLN  75          2HE2      GLN  75 -12.121  -1.283 -10.060
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  -3.880  13.964  -3.832
    2   2H    MET   1          2H        MET   1  -2.833  13.934  -2.503
    3   3H    MET   1          3H        MET   1  -3.711  12.549  -2.919
    4    HA   MET   1           HA       MET   1  -2.517  12.362  -4.991
    5   1HB   MET   1          2HB       MET   1  -2.099  14.800  -5.234
    6   1HG   MET   1          2HG       MET   1   0.399  13.123  -5.328
    7   1HE   MET   1          1HE       MET   1  -1.299  15.710  -7.749
    8   2HE   MET   1          2HE       MET   1  -1.431  16.493  -6.175
    9   3HE   MET   1          3HE       MET   1  -0.367  17.169  -7.409
   10    H    GLN   2           H        GLN   2  -0.955  13.445  -1.981
   11    HA   GLN   2           HA       GLN   2   0.984  11.312  -2.099
   12   1HB   GLN   2          2HB       GLN   2   0.392  13.324   0.082
   13   1HG   GLN   2          2HG       GLN   2   2.732  13.295  -1.785
   14   1HE2  GLN   2          1HE2      GLN   2   0.808  16.000  -0.766
   15   2HE2  GLN   2          2HE2      GLN   2   1.998  16.719   0.260
   16    H    PHE   3           H        PHE   3   1.313  10.002  -0.007
   17    HA   PHE   3           HA       PHE   3  -1.084   8.480   0.422
   18   1HB   PHE   3          2HB       PHE   3   1.604   8.207   1.780
   19    HD1  PHE   3           1HD      PHE   3  -0.174   5.786  -0.324
   20    HD2  PHE   3           2HD      PHE   3   3.072   8.528  -0.076
   21    HE1  PHE   3           1HE      PHE   3   0.784   4.831  -2.380
   22    HE2  PHE   3           2HE      PHE   3   4.036   7.577  -2.131
   23    HZ   PHE   3           HZ       PHE   3   2.908   5.727  -3.279
   24    H    THR   4           H        THR   4  -2.614   9.314   1.699
   25    HA   THR   4           HA       THR   4  -1.783  10.429   4.299
   26    HB   THR   4           HB       THR   4  -3.943  11.704   4.261
   27    HG1  THR   4           1HG      THR   4  -5.156  10.690   2.728
   28   1HG2  THR   4          1HG2      THR   4  -3.148  13.437   2.713
   29   2HG2  THR   4          2HG2      THR   4  -2.005  12.288   2.017
   30   3HG2  THR   4          3HG2      THR   4  -1.834  12.795   3.699
   31    HA   PRO   5           HA       PRO   5  -4.196   7.282   6.236
   32   1HB   PRO   5          2HB       PRO   5  -4.830   8.458   8.573
   33   1HG   PRO   5          2HG       PRO   5  -4.464  10.681   7.984
   34   1HD   PRO   5          2HD       PRO   5  -3.189  11.258   6.152
   35    H    ASP   6           H        ASP   6  -5.941   7.428   4.642
   36    HA   ASP   6           HA       ASP   6  -8.459   7.738   5.802
   37   1HB   ASP   6          2HB       ASP   6  -7.976  10.149   5.694
   38    H    SER   7           H        SER   7  -6.564   7.818   2.836
   39    HA   SER   7           HA       SER   7  -8.747   6.450   1.424
   40   1HB   SER   7          2HB       SER   7  -7.853   8.449   0.308
   41    HG   SER   7           HG       SER   7  -8.491   7.015  -1.190
   42    H    ALA   8           H        ALA   8  -7.851   4.827  -0.280
   43    HA   ALA   8           HA       ALA   8  -6.039   3.015   1.163
   44   1HB   ALA   8          1HB       ALA   8  -8.086   2.365  -0.955
   45   2HB   ALA   8          2HB       ALA   8  -7.074   1.201  -0.097
   46   3HB   ALA   8          3HB       ALA   8  -8.285   2.134   0.783
   47    H    TRP   9           H        TRP   9  -4.795   1.506  -0.332
   48    HA   TRP   9           HA       TRP   9  -4.002   2.733  -2.852
   49   1HB   TRP   9          2HB       TRP   9  -2.042   2.179  -0.614
   50    HD1  TRP   9           HD       TRP   9  -3.205   4.060   0.940
   51    HE1  TRP   9           1HE      TRP   9  -3.105   6.628   0.841
   52    HE3  TRP   9           3HE      TRP   9  -1.482   4.620  -3.842
   53    HZ2  TRP   9           2HZ      TRP   9  -2.391   8.628  -1.019
   54    HZ3  TRP   9           3HZ      TRP   9  -1.119   6.896  -4.704
   55    HH2  TRP   9           HH       TRP   9  -1.566   8.857  -3.321
   56    H    LYS  10           H        LYS  10  -2.358   1.305  -4.001
   57    HA   LYS  10           HA       LYS  10  -2.874  -1.522  -3.369
   58   1HB   LYS  10          2HB       LYS  10  -2.786  -0.225  -6.095
   59   1HG   LYS  10          2HG       LYS  10  -5.026  -1.665  -4.687
   60   1HD   LYS  10          2HD       LYS  10  -6.356  -1.076  -6.640
   61   1HE   LYS  10          2HE       LYS  10  -3.829  -2.531  -7.409
   62   1HZ   LYS  10          1HZ       LYS  10  -5.243  -3.647  -9.010
   63   2HZ   LYS  10          2HZ       LYS  10  -5.215  -1.982  -9.312
   64   3HZ   LYS  10          3HZ       LYS  10  -6.561  -2.683  -8.563
   65    H    ILE  11           H        ILE  11  -1.184  -2.915  -3.477
   66    HA   ILE  11           HA       ILE  11   1.457  -1.772  -3.592
   67    HB   ILE  11           HB       ILE  11   0.581  -4.636  -3.191
   68   1HG1  ILE  11          2HG1      ILE  11   1.452  -2.497  -1.235
   69   1HG2  ILE  11          1HG2      ILE  11   2.847  -4.536  -4.075
   70   2HG2  ILE  11          2HG2      ILE  11   3.298  -3.378  -2.823
   71   3HG2  ILE  11          3HG2      ILE  11   2.862  -5.028  -2.380
   72   1HD1  ILE  11          1HD1      ILE  11   1.013  -4.089   0.529
   73   2HD1  ILE  11          2HD1      ILE  11   0.669  -5.343  -0.662
   74   3HD1  ILE  11          3HD1      ILE  11   2.296  -4.677  -0.528
   75    H    THR  12           H        THR  12   2.567  -1.520  -5.397
   76    HA   THR  12           HA       THR  12   2.295  -3.532  -7.529
   77    HB   THR  12           HB       THR  12   2.644  -0.574  -8.057
   78    HG1  THR  12           1HG      THR  12   0.564  -0.774  -7.340
   79   1HG2  THR  12          1HG2      THR  12   2.081  -1.200 -10.363
   80   2HG2  THR  12          2HG2      THR  12   1.976  -2.891  -9.878
   81   3HG2  THR  12          3HG2      THR  12   3.522  -2.048  -9.804
   82    H    GLY  13           H        GLY  13   4.234  -3.910  -5.775
   83   1HA   GLY  13          1HA       GLY  13   6.624  -2.571  -5.911
   84   2HA   GLY  13          2HA       GLY  13   6.498  -4.308  -5.692
   85    H    PHE  14           H        PHE  14   7.218  -1.740  -7.881
   86    HA   PHE  14           HA       PHE  14   8.367  -3.671  -9.738
   87   1HB   PHE  14          2HB       PHE  14   6.153  -3.257 -10.675
   88    HD1  PHE  14           1HD      PHE  14   7.256  -4.629 -12.343
   89    HD2  PHE  14           2HD      PHE  14   7.850  -0.418 -12.207
   90    HE1  PHE  14           1HE      PHE  14   8.213  -4.696 -14.608
   91    HE2  PHE  14           2HE      PHE  14   8.808  -0.476 -14.473
   92    HZ   PHE  14           HZ       PHE  14   9.011  -2.622 -15.668
   93    H    SER  15           H        SER  15  10.413  -3.016  -9.260
   94    HA   SER  15           HA       SER  15  11.073  -0.190  -9.763
   95   1HB   SER  15          2HB       SER  15  12.636  -2.228  -8.155
   96    HG   SER  15           HG       SER  15  11.884  -0.310  -6.604
   97    H    ARG  16           H        ARG  16  13.122   0.244 -10.831
   98    HA   ARG  16           HA       ARG  16  13.450  -1.071 -13.234
   99   1HB   ARG  16          2HB       ARG  16  15.455   0.184 -13.539
  100   1HG   ARG  16          2HG       ARG  16  16.588  -0.422 -11.422
  101   1HD   ARG  16          2HD       ARG  16  14.813  -0.001  -9.835
  102    HE   ARG  16           HE       ARG  16  14.561   2.529 -11.069
  103   1HH1  ARG  16          2HH1      ARG  16  14.376   0.972  -7.959
  104   2HH1  ARG  16          1HH1      ARG  16  13.267   2.129  -7.301
  105   1HH2  ARG  16          2HH2      ARG  16  13.101   4.058 -10.212
  106   2HH2  ARG  16          1HH2      ARG  16  12.542   3.884  -8.582
  107    H    ASP  17           H        ASP  17  14.649  -1.926 -10.109
  108    HA   ASP  17           HA       ASP  17  15.612  -4.444 -11.115
  109   1HB   ASP  17          2HB       ASP  17  17.583  -3.013 -11.469
  110    H    ILE  18           H        ILE  18  13.510  -3.832  -9.420
  111    HA   ILE  18           HA       ILE  18  13.772  -3.724  -6.737
  112    HB   ILE  18           HB       ILE  18  11.606  -3.960  -7.803
  113   1HG1  ILE  18          2HG1      ILE  18  12.111  -6.205  -5.833
  114   1HG2  ILE  18          1HG2      ILE  18  12.403  -6.825  -8.293
  115   2HG2  ILE  18          2HG2      ILE  18  10.799  -6.148  -8.577
  116   3HG2  ILE  18          3HG2      ILE  18  12.180  -5.574  -9.515
  117   1HD1  ILE  18          1HD1      ILE  18   9.570  -4.680  -6.338
  118   2HD1  ILE  18          2HD1      ILE  18   9.883  -6.332  -6.870
  119   3HD1  ILE  18          3HD1      ILE  18   9.824  -5.956  -5.148
  120    H    SER  19           H        SER  19  14.702  -4.844  -5.153
  121    HA   SER  19           HA       SER  19  16.198  -7.227  -5.769
  122   1HB   SER  19          2HB       SER  19  17.194  -5.585  -4.287
  123    HG   SER  19           HG       SER  19  18.022  -7.128  -3.140
  124    HA   PRO  20           HA       PRO  20  13.244 -10.278  -4.578
  125   1HB   PRO  20          2HB       PRO  20  14.909 -12.148  -3.459
  126   1HG   PRO  20          2HG       PRO  20  16.853 -10.876  -3.387
  127   1HD   PRO  20          2HD       PRO  20  17.110  -8.943  -4.644
  128    H    ALA  21           H        ALA  21  15.550  -9.094  -2.206
  129    HA   ALA  21           HA       ALA  21  14.634 -10.237   0.121
  130   1HB   ALA  21          1HB       ALA  21  15.481  -8.259   1.286
  131   2HB   ALA  21          2HB       ALA  21  16.595  -8.790   0.025
  132   3HB   ALA  21          3HB       ALA  21  15.559  -7.389  -0.246
  133    H    TYR  22           H        TYR  22  13.344  -7.392  -1.552
  134    HA   TYR  22           HA       TYR  22  11.226  -7.074   0.394
  135   1HB   TYR  22          2HB       TYR  22  11.788  -5.625  -2.200
  136    HD1  TYR  22           1HD      TYR  22  14.097  -5.107  -1.714
  137    HD2  TYR  22           2HD      TYR  22  11.032  -4.188   1.092
  138    HE1  TYR  22           1HE      TYR  22  15.666  -3.673  -0.480
  139    HE2  TYR  22           2HE      TYR  22  12.595  -2.750   2.334
  140    HH   TYR  22           HH       TYR  22  15.613  -1.796   1.072
  141    H    ARG  23           H        ARG  23  11.515  -8.006  -3.019
  142    HA   ARG  23           HA       ARG  23   8.744  -8.416  -3.431
  143   1HB   ARG  23          2HB       ARG  23  10.146  -8.059  -5.334
  144   1HG   ARG  23          2HG       ARG  23   9.629  -9.843  -6.806
  145   1HD   ARG  23          2HD       ARG  23   7.290 -10.362  -6.256
  146    HE   ARG  23           HE       ARG  23   8.222  -7.823  -6.617
  147   1HH1  ARG  23          2HH1      ARG  23   5.576  -9.256  -4.866
  148   2HH1  ARG  23          1HH1      ARG  23   4.544  -7.876  -5.036
  149   1HH2  ARG  23          2HH2      ARG  23   6.873  -5.999  -6.848
  150   2HH2  ARG  23          1HH2      ARG  23   5.282  -6.022  -6.165
  151    H    GLN  24           H        GLN  24  11.356 -10.836  -3.169
  152    HA   GLN  24           HA       GLN  24   9.725 -13.077  -3.012
  153   1HB   GLN  24          2HB       GLN  24  12.418 -12.700  -1.695
  154   1HG   GLN  24          2HG       GLN  24  12.633 -12.173  -4.032
  155   1HE2  GLN  24          1HE2      GLN  24  12.333 -15.599  -4.496
  156   2HE2  GLN  24          2HE2      GLN  24  11.123 -15.534  -5.726
  157    H    LYS  25           H        LYS  25  10.277 -10.652  -0.639
  158    HA   LYS  25           HA       LYS  25   9.624 -12.305   1.621
  159   1HB   LYS  25          2HB       LYS  25  11.090 -10.460   2.018
  160   1HG   LYS  25          2HG       LYS  25   8.399  -9.659   3.087
  161   1HD   LYS  25          2HD       LYS  25   9.723  -8.698   4.937
  162   1HE   LYS  25          2HE       LYS  25  10.536  -7.604   2.247
  163   1HZ   LYS  25          1HZ       LYS  25  10.576  -5.496   3.407
  164   2HZ   LYS  25          2HZ       LYS  25  11.665  -6.574   4.124
  165   3HZ   LYS  25          3HZ       LYS  25  10.179  -6.254   4.868
  166    H    LEU  26           H        LEU  26   7.949 -10.033  -0.481
  167    HA   LEU  26           HA       LEU  26   5.541 -10.008   1.072
  168   1HB   LEU  26          2HB       LEU  26   6.097  -9.145  -1.766
  169    HG   LEU  26           HG       LEU  26   7.236  -7.709  -0.141
  170   1HD1  LEU  26          1HD1      LEU  26   6.205  -5.580  -0.788
  171   2HD1  LEU  26          2HD1      LEU  26   6.335  -6.691  -2.151
  172   3HD1  LEU  26          3HD1      LEU  26   4.780  -6.451  -1.355
  173   1HD2  LEU  26          1HD2      LEU  26   5.941  -6.432   1.496
  174   2HD2  LEU  26          2HD2      LEU  26   4.490  -7.328   1.047
  175   3HD2  LEU  26          3HD2      LEU  26   5.845  -8.167   1.804
  176    H    LEU  27           H        LEU  27   6.776 -11.873  -1.621
  177    HA   LEU  27           HA       LEU  27   4.430 -13.022  -2.552
  178   1HB   LEU  27          2HB       LEU  27   7.179 -14.253  -2.388
  179    HG   LEU  27           HG       LEU  27   7.298 -12.225  -3.707
  180   1HD1  LEU  27          1HD1      LEU  27   7.159 -14.676  -5.458
  181   2HD1  LEU  27          2HD1      LEU  27   7.989 -13.171  -5.850
  182   3HD1  LEU  27          3HD1      LEU  27   8.548 -14.162  -4.502
  183   1HD2  LEU  27          1HD2      LEU  27   5.877 -11.904  -5.675
  184   2HD2  LEU  27          2HD2      LEU  27   4.971 -13.359  -5.256
  185   3HD2  LEU  27          3HD2      LEU  27   4.926 -11.955  -4.190
  186    H    SER  28           H        SER  28   6.383 -13.816   0.247
  187    HA   SER  28           HA       SER  28   5.261 -16.338   0.816
  188   1HB   SER  28          2HB       SER  28   6.464 -14.304   2.710
  189    HG   SER  28           HG       SER  28   8.330 -15.600   2.437
  190    H    LEU  29           H        LEU  29   4.324 -13.063   1.744
  191    HA   LEU  29           HA       LEU  29   2.194 -13.947   3.457
  192   1HB   LEU  29          2HB       LEU  29   2.929 -11.245   2.345
  193    HG   LEU  29           HG       LEU  29   3.523 -10.641   4.612
  194   1HD1  LEU  29          1HD1      LEU  29   2.766 -13.470   5.324
  195   2HD1  LEU  29          2HD1      LEU  29   3.556 -12.321   6.403
  196   3HD1  LEU  29          3HD1      LEU  29   1.923 -12.002   5.818
  197   1HD2  LEU  29          1HD2      LEU  29   4.844 -13.262   3.934
  198   2HD2  LEU  29          2HD2      LEU  29   5.213 -11.732   3.139
  199   3HD2  LEU  29          3HD2      LEU  29   5.523 -11.928   4.864
  200    H    GLY  30           H        GLY  30   2.558 -13.279   0.089
  201   1HA   GLY  30          1HA       GLY  30   0.931 -14.122  -1.460
  202   2HA   GLY  30          2HA       GLY  30  -0.317 -13.799  -0.266
  203    H    MET  31           H        MET  31   2.092 -11.383  -0.729
  204    HA   MET  31           HA       MET  31   0.077  -9.666  -1.979
  205   1HB   MET  31          2HB       MET  31   2.617  -9.070  -0.471
  206   1HG   MET  31          2HG       MET  31   1.157  -7.743   0.965
  207   1HE   MET  31          1HE       MET  31  -1.544  -9.151   2.141
  208   2HE   MET  31          2HE       MET  31  -0.782 -10.170   3.360
  209   3HE   MET  31          3HE       MET  31  -0.203  -8.523   3.099
  210    H    LEU  32           H        LEU  32   0.169 -10.055  -4.129
  211    HA   LEU  32           HA       LEU  32   2.783  -9.924  -5.457
  212   1HB   LEU  32          2HB       LEU  32   0.098 -10.909  -6.420
  213    HG   LEU  32           HG       LEU  32   2.684 -12.430  -6.058
  214   1HD1  LEU  32          1HD1      LEU  32   0.111 -12.456  -4.494
  215   2HD1  LEU  32          2HD1      LEU  32   1.340 -13.716  -4.387
  216   3HD1  LEU  32          3HD1      LEU  32   1.729 -12.066  -3.907
  217   1HD2  LEU  32          1HD2      LEU  32   1.379 -14.376  -6.709
  218   2HD2  LEU  32          2HD2      LEU  32  -0.040 -13.359  -6.955
  219   3HD2  LEU  32          3HD2      LEU  32   1.372 -13.164  -7.991
  220    HA   PRO  33           HA       PRO  33   2.339  -5.954  -7.290
  221   1HB   PRO  33          2HB       PRO  33   2.347  -7.320  -9.948
  222   1HG   PRO  33          2HG       PRO  33   4.371  -8.397  -9.560
  223   1HD   PRO  33          2HD       PRO  33   3.064  -9.714  -8.211
  224    H    GLY  34           H        GLY  34   0.361  -5.111  -6.987
  225   1HA   GLY  34          1HA       GLY  34  -1.585  -4.329  -8.268
  226   2HA   GLY  34          2HA       GLY  34  -1.787  -5.988  -8.815
  227    H    SER  35           H        SER  35  -0.874  -5.476  -5.530
  228    HA   SER  35           HA       SER  35  -3.421  -6.561  -4.650
  229   1HB   SER  35          2HB       SER  35  -1.371  -7.506  -3.708
  230    HG   SER  35           HG       SER  35  -3.048  -7.544  -2.265
  231    H    SER  36           H        SER  36  -4.417  -5.608  -2.639
  232    HA   SER  36           HA       SER  36  -4.302  -2.665  -2.739
  233   1HB   SER  36          2HB       SER  36  -6.742  -4.402  -2.292
  234    HG   SER  36           HG       SER  36  -7.337  -3.798  -4.294
  235    H    PHE  37           H        PHE  37  -4.868  -1.556  -0.766
  236    HA   PHE  37           HA       PHE  37  -5.161  -2.955   1.699
  237   1HB   PHE  37          2HB       PHE  37  -3.018  -2.353   2.715
  238    HD1  PHE  37           1HD      PHE  37  -2.217  -0.109   2.756
  239    HD2  PHE  37           2HD      PHE  37  -1.868  -2.468  -0.769
  240    HE1  PHE  37           1HE      PHE  37  -0.668   1.549   1.805
  241    HE2  PHE  37           2HE      PHE  37  -0.318  -0.813  -1.727
  242    HZ   PHE  37           HZ       PHE  37   0.283   1.198  -0.440
  243    H    HIS  38           H        HIS  38  -4.622  -1.274   3.584
  244    HA   HIS  38           HA       HIS  38  -5.570   1.376   2.722
  245   1HB   HIS  38          2HB       HIS  38  -7.458   0.156   3.681
  246    HD1  HIS  38           1HD      HIS  38  -8.575   2.431   3.514
  247    HD2  HIS  38           2HD      HIS  38  -6.127   2.046   6.849
  248    HE1  HIS  38           1HE      HIS  38  -9.065   4.443   4.943
  249    HE2  HIS  38           2HE      HIS  38  -7.523   4.222   6.925
  250    H    VAL  39           H        VAL  39  -4.332   2.994   3.390
  251    HA   VAL  39           HA       VAL  39  -2.094   2.520   5.110
  252    HB   VAL  39           HB       VAL  39  -1.656   4.960   4.838
  253   1HG1  VAL  39          1HG1      VAL  39  -1.218   4.827   2.387
  254   2HG1  VAL  39          2HG1      VAL  39  -0.649   3.430   3.300
  255   3HG1  VAL  39          3HG1      VAL  39  -2.134   3.320   2.359
  256   1HG2  VAL  39          1HG2      VAL  39  -4.082   5.572   4.604
  257   2HG2  VAL  39          2HG2      VAL  39  -3.006   6.313   3.420
  258   3HG2  VAL  39          3HG2      VAL  39  -4.011   4.939   2.960
  259    H    VAL  40           H        VAL  40  -1.825   2.995   7.210
  260    HA   VAL  40           HA       VAL  40  -4.177   3.875   8.696
  261    HB   VAL  40           HB       VAL  40  -1.554   2.774   9.716
  262   1HG1  VAL  40          1HG1      VAL  40  -2.643   4.167  11.374
  263   2HG1  VAL  40          2HG1      VAL  40  -4.163   3.305  11.134
  264   3HG1  VAL  40          3HG1      VAL  40  -2.776   2.469  11.831
  265   1HG2  VAL  40          1HG2      VAL  40  -2.791   1.133   8.399
  266   2HG2  VAL  40          2HG2      VAL  40  -2.804   0.707  10.109
  267   3HG2  VAL  40          3HG2      VAL  40  -4.233   1.430   9.368
  268    H    ARG  41           H        ARG  41  -0.694   4.639   8.551
  269    HA   ARG  41           HA       ARG  41  -1.311   7.437   9.061
  270   1HB   ARG  41          2HB       ARG  41   0.420   7.550  10.874
  271   1HG   ARG  41          2HG       ARG  41   0.129   4.554  10.879
  272   1HD   ARG  41          2HD       ARG  41   1.679   4.635  12.776
  273    HE   ARG  41           HE       ARG  41  -0.999   5.503  12.984
  274   1HH1  ARG  41          2HH1      ARG  41   1.958   5.319  14.813
  275   2HH1  ARG  41          1HH1      ARG  41   1.157   5.237  16.346
  276   1HH2  ARG  41          2HH2      ARG  41  -2.066   5.397  15.000
  277   2HH2  ARG  41          1HH2      ARG  41  -1.131   5.279  16.453
  278    H    VAL  42           H        VAL  42   0.023   8.783   7.988
  279    HA   VAL  42           HA       VAL  42   2.659   7.854   7.148
  280    HB   VAL  42           HB       VAL  42   0.663   8.922   5.147
  281   1HG1  VAL  42          1HG1      VAL  42   2.868   9.580   4.535
  282   2HG1  VAL  42          2HG1      VAL  42   3.510   7.978   4.899
  283   3HG1  VAL  42          3HG1      VAL  42   2.434   8.202   3.521
  284   1HG2  VAL  42          1HG2      VAL  42   1.776   6.134   5.341
  285   2HG2  VAL  42          2HG2      VAL  42   0.184   6.601   5.937
  286   3HG2  VAL  42          3HG2      VAL  42   0.553   6.723   4.216
  287    H    ALA  43           H        ALA  43   3.998   9.585   6.254
  288    HA   ALA  43           HA       ALA  43   3.095  12.309   6.593
  289   1HB   ALA  43          1HB       ALA  43   5.300  11.211   8.329
  290   2HB   ALA  43          2HB       ALA  43   4.848  12.910   8.202
  291   3HB   ALA  43          3HB       ALA  43   3.709  11.741   8.873
  292    HA   PRO  44           HA       PRO  44   5.807  12.522   3.032
  293   1HB   PRO  44          2HB       PRO  44   5.719  15.430   3.645
  294   1HG   PRO  44          2HG       PRO  44   3.399  15.580   3.627
  295   1HD   PRO  44          2HD       PRO  44   3.748  14.574   5.680
  296    H    LEU  45           H        LEU  45   6.442  13.978   6.137
  297    HA   LEU  45           HA       LEU  45   9.067  14.880   5.674
  298   1HB   LEU  45          2HB       LEU  45   7.697  15.528   7.619
  299    HG   LEU  45           HG       LEU  45  10.257  14.188   8.503
  300   1HD1  LEU  45          1HD1      LEU  45  11.269  16.394   8.183
  301   2HD1  LEU  45          2HD1      LEU  45  10.650  15.734   6.670
  302   3HD1  LEU  45          3HD1      LEU  45   9.749  16.991   7.517
  303   1HD2  LEU  45          1HD2      LEU  45   8.625  16.393   9.758
  304   2HD2  LEU  45          2HD2      LEU  45   8.810  14.750  10.372
  305   3HD2  LEU  45          3HD2      LEU  45  10.200  15.834  10.320
  306    H    GLY  46           H        GLY  46   7.775  11.714   6.134
  307   1HA   GLY  46          1HA       GLY  46   9.136   9.838   5.420
  308   2HA   GLY  46          2HA       GLY  46  10.525  10.647   6.129
  309    H    ASP  47           H        ASP  47   7.396   9.206   6.971
  310    HA   ASP  47           HA       ASP  47   8.585   8.360   9.527
  311   1HB   ASP  47          2HB       ASP  47   5.763   9.270   8.956
  312    HA   PRO  48           HA       PRO  48   7.258   4.271   8.546
  313   1HB   PRO  48          2HB       PRO  48   6.529   3.509  11.191
  314   1HG   PRO  48          2HG       PRO  48   7.585   4.978  12.568
  315   1HD   PRO  48          2HD       PRO  48   6.455   6.678  11.488
  316    H    VAL  49           H        VAL  49   5.470   3.716   7.523
  317    HA   VAL  49           HA       VAL  49   2.866   4.326   8.737
  318    HB   VAL  49           HB       VAL  49   3.000   5.404   6.655
  319   1HG1  VAL  49          1HG1      VAL  49   4.162   2.849   5.568
  320   2HG1  VAL  49          2HG1      VAL  49   3.686   4.225   4.572
  321   3HG1  VAL  49          3HG1      VAL  49   4.971   4.405   5.766
  322   1HG2  VAL  49          1HG2      VAL  49   0.883   4.236   6.908
  323   2HG2  VAL  49          2HG2      VAL  49   1.365   4.254   5.212
  324   3HG2  VAL  49          3HG2      VAL  49   1.569   2.789   6.170
  325    H    HIS  50           H        HIS  50   1.132   2.777   8.389
  326    HA   HIS  50           HA       HIS  50   2.095  -0.005   8.247
  327   1HB   HIS  50          2HB       HIS  50   0.017   1.183  10.092
  328    HD1  HIS  50           1HD      HIS  50   1.903   2.520  11.311
  329    HD2  HIS  50           2HD      HIS  50   2.454  -1.597  11.231
  330    HE1  HIS  50           1HE      HIS  50   3.700   2.051  13.006
  331    HE2  HIS  50           2HE      HIS  50   3.919  -0.459  13.035
  332    H    ILE  51           H        ILE  51   1.191  -1.156   6.676
  333    HA   ILE  51           HA       ILE  51  -1.221  -0.125   5.379
  334    HB   ILE  51           HB       ILE  51  -0.702  -1.662   3.549
  335   1HG1  ILE  51          2HG1      ILE  51   1.757  -2.409   5.149
  336   1HG2  ILE  51          1HG2      ILE  51   1.368  -0.600   2.782
  337   2HG2  ILE  51          2HG2      ILE  51   0.271   0.566   3.518
  338   3HG2  ILE  51          3HG2      ILE  51   1.671  -0.016   4.419
  339   1HD1  ILE  51          1HD1      ILE  51   2.111  -2.494   2.727
  340   2HD1  ILE  51          2HD1      ILE  51   2.137  -4.094   3.467
  341   3HD1  ILE  51          3HD1      ILE  51   0.714  -3.560   2.574
  342    H    GLU  52           H        GLU  52  -3.101  -1.281   5.200
  343    HA   GLU  52           HA       GLU  52  -3.282  -3.684   6.885
  344   1HB   GLU  52          2HB       GLU  52  -5.477  -1.802   6.001
  345   1HG   GLU  52          2HG       GLU  52  -4.156  -2.120   8.687
  346    H    THR  53           H        THR  53  -3.494  -5.564   5.900
  347    HA   THR  53           HA       THR  53  -4.736  -5.630   3.228
  348    HB   THR  53           HB       THR  53  -3.229  -7.359   2.538
  349    HG1  THR  53           1HG      THR  53  -2.004  -7.235   5.105
  350   1HG2  THR  53          1HG2      THR  53  -2.355  -5.091   2.333
  351   2HG2  THR  53          2HG2      THR  53  -1.053  -6.227   2.685
  352   3HG2  THR  53          3HG2      THR  53  -1.687  -5.189   3.963
  353    H    ARG  54           H        ARG  54  -4.779  -8.412   2.944
  354    HA   ARG  54           HA       ARG  54  -7.182  -9.144   4.005
  355   1HB   ARG  54          2HB       ARG  54  -5.891 -10.355   2.231
  356   1HG   ARG  54          2HG       ARG  54  -6.668 -12.586   2.732
  357   1HD   ARG  54          2HD       ARG  54  -8.592 -10.556   3.857
  358    HE   ARG  54           HE       ARG  54  -8.961 -13.295   3.259
  359   1HH1  ARG  54          2HH1      ARG  54 -10.477 -10.181   2.902
  360   2HH1  ARG  54          1HH1      ARG  54 -12.085 -10.825   2.857
  361   1HH2  ARG  54          2HH2      ARG  54 -11.073 -14.154   3.202
  362   2HH2  ARG  54          1HH2      ARG  54 -12.423 -13.083   3.027
  363    H    ARG  55           H        ARG  55  -7.488  -8.640   6.138
  364    HA   ARG  55           HA       ARG  55  -7.348  -8.767   8.401
  365   1HB   ARG  55          2HB       ARG  55  -6.919 -11.672   7.689
  366   1HG   ARG  55          2HG       ARG  55  -8.963 -10.907   6.696
  367   1HD   ARG  55          2HD       ARG  55  -9.343  -8.875   7.940
  368    HE   ARG  55           HE       ARG  55  -9.101 -10.438  10.258
  369   1HH1  ARG  55          2HH1      ARG  55 -11.006  -7.825   8.968
  370   2HH1  ARG  55          1HH1      ARG  55 -11.353  -7.139  10.519
  371   1HH2  ARG  55          2HH2      ARG  55  -9.550  -9.543  12.308
  372   2HH2  ARG  55          1HH2      ARG  55 -10.523  -8.114  12.418
  373    H    VAL  56           H        VAL  56  -4.765  -8.255   7.055
  374    HA   VAL  56           HA       VAL  56  -3.090  -8.805   9.353
  375    HB   VAL  56           HB       VAL  56  -2.746 -10.780   7.887
  376   1HG1  VAL  56          1HG1      VAL  56  -1.760 -10.618   5.751
  377   2HG1  VAL  56          2HG1      VAL  56  -3.089  -9.460   5.755
  378   3HG1  VAL  56          3HG1      VAL  56  -1.429  -8.898   5.950
  379   1HG2  VAL  56          1HG2      VAL  56  -0.987 -10.063   9.397
  380   2HG2  VAL  56          2HG2      VAL  56  -0.290 -10.681   7.900
  381   3HG2  VAL  56          3HG2      VAL  56  -0.373  -8.943   8.181
  382    H    SER  57           H        SER  57  -2.336  -6.868   9.837
  383    HA   SER  57           HA       SER  57  -1.876  -4.908   7.726
  384   1HB   SER  57          2HB       SER  57  -3.175  -4.172   9.653
  385    HG   SER  57           HG       SER  57  -0.866  -2.834  10.268
  386    H    LEU  58           H        LEU  58   0.069  -4.671   6.874
  387    HA   LEU  58           HA       LEU  58   2.415  -5.570   8.380
  388   1HB   LEU  58          2HB       LEU  58   2.163  -6.505   6.152
  389    HG   LEU  58           HG       LEU  58   4.406  -4.483   6.215
  390   1HD1  LEU  58          1HD1      LEU  58   4.378  -7.429   6.852
  391   2HD1  LEU  58          2HD1      LEU  58   5.777  -6.356   6.910
  392   3HD1  LEU  58          3HD1      LEU  58   4.442  -6.124   8.039
  393   1HD2  LEU  58          1HD2      LEU  58   3.926  -5.173   3.927
  394   2HD2  LEU  58          2HD2      LEU  58   5.449  -5.865   4.487
  395   3HD2  LEU  58          3HD2      LEU  58   3.999  -6.867   4.412
  396    H    VAL  59           H        VAL  59   4.266  -4.255   8.600
  397    HA   VAL  59           HA       VAL  59   3.663  -1.380   8.502
  398    HB   VAL  59           HB       VAL  59   4.212  -2.267  10.724
  399   1HG1  VAL  59          1HG1      VAL  59   6.866  -2.977   9.479
  400   2HG1  VAL  59          2HG1      VAL  59   6.499  -3.040  11.203
  401   3HG1  VAL  59          3HG1      VAL  59   5.654  -4.107  10.081
  402   1HG2  VAL  59          1HG2      VAL  59   5.956  -0.644  11.302
  403   2HG2  VAL  59          2HG2      VAL  59   6.342  -0.453   9.593
  404   3HG2  VAL  59          3HG2      VAL  59   4.765   0.050  10.202
  405    H    LEU  60           H        LEU  60   4.856  -0.004   7.317
  406    HA   LEU  60           HA       LEU  60   7.422  -0.872   6.220
  407   1HB   LEU  60          2HB       LEU  60   5.152   0.168   4.518
  408    HG   LEU  60           HG       LEU  60   4.924  -2.255   5.034
  409   1HD1  LEU  60          1HD1      LEU  60   5.688  -1.619   2.188
  410   2HD1  LEU  60          2HD1      LEU  60   4.704  -2.982   2.720
  411   3HD1  LEU  60          3HD1      LEU  60   4.110  -1.333   2.922
  412   1HD2  LEU  60          1HD2      LEU  60   6.562  -3.821   4.183
  413   2HD2  LEU  60          2HD2      LEU  60   7.570  -2.493   3.606
  414   3HD2  LEU  60          3HD2      LEU  60   7.321  -2.725   5.338
  415    H    ARG  61           H        ARG  61   8.718   0.887   5.403
  416    HA   ARG  61           HA       ARG  61   7.946   3.469   6.584
  417   1HB   ARG  61          2HB       ARG  61  10.715   2.391   6.016
  418   1HG   ARG  61          2HG       ARG  61   9.355   2.831   8.666
  419   1HD   ARG  61          2HD       ARG  61  11.762   3.272   8.715
  420    HE   ARG  61           HE       ARG  61  12.089   1.272   6.901
  421   1HH1  ARG  61          2HH1      ARG  61  13.315   1.881  10.105
  422   2HH1  ARG  61          1HH1      ARG  61  14.809   1.048   9.832
  423   1HH2  ARG  61          2HH2      ARG  61  14.053   0.172   6.533
  424   2HH2  ARG  61          1HH2      ARG  61  15.229   0.076   7.801
  425    H    LYS  62           H        LYS  62   8.737   5.405   5.482
  426    HA   LYS  62           HA       LYS  62   7.881   5.709   2.923
  427   1HB   LYS  62          2HB       LYS  62   9.492   7.682   2.802
  428   1HG   LYS  62          2HG       LYS  62  10.276   8.261   5.215
  429   1HD   LYS  62          2HD       LYS  62  11.665   6.586   3.171
  430   1HE   LYS  62          2HE       LYS  62  12.583   5.811   5.290
  431   1HZ   LYS  62          1HZ       LYS  62  13.112   8.683   5.826
  432   2HZ   LYS  62          2HZ       LYS  62  13.733   7.398   6.732
  433   3HZ   LYS  62          3HZ       LYS  62  12.065   7.678   6.697
  434    H    LYS  63           H        LYS  63  10.934   4.368   3.921
  435    HA   LYS  63           HA       LYS  63  12.128   4.528   1.304
  436   1HB   LYS  63          2HB       LYS  63  13.931   3.162   2.309
  437   1HG   LYS  63          2HG       LYS  63  12.299   3.284   4.836
  438   1HD   LYS  63          2HD       LYS  63  14.726   3.498   5.176
  439   1HE   LYS  63          2HE       LYS  63  14.839   0.848   3.744
  440   1HZ   LYS  63          1HZ       LYS  63  17.010   2.379   5.070
  441   2HZ   LYS  63          2HZ       LYS  63  17.205   0.959   4.175
  442   3HZ   LYS  63          3HZ       LYS  63  16.349   0.926   5.632
  443    H    ASP  64           H        ASP  64  10.427   2.133   3.222
  444    HA   ASP  64           HA       ASP  64  10.974  -0.090   1.547
  445   1HB   ASP  64          2HB       ASP  64   8.693   0.368   3.482
  446    H    LEU  65           H        LEU  65   8.548   2.428   1.504
  447    HA   LEU  65           HA       LEU  65   6.969   1.079  -0.521
  448   1HB   LEU  65          2HB       LEU  65   6.713   3.809   0.737
  449    HG   LEU  65           HG       LEU  65   5.154   1.263   1.149
  450   1HD1  LEU  65          1HD1      LEU  65   5.600   1.804   3.538
  451   2HD1  LEU  65          2HD1      LEU  65   7.045   1.438   2.599
  452   3HD1  LEU  65          3HD1      LEU  65   6.652   3.111   2.995
  453   1HD2  LEU  65          1HD2      LEU  65   3.598   2.598   2.498
  454   2HD2  LEU  65          2HD2      LEU  65   4.412   4.068   1.965
  455   3HD2  LEU  65          3HD2      LEU  65   3.564   3.058   0.795
  456    H    ALA  66           H        ALA  66   9.487   3.444  -0.340
  457    HA   ALA  66           HA       ALA  66   9.156   4.896  -2.661
  458   1HB   ALA  66          1HB       ALA  66  10.905   5.348  -1.012
  459   2HB   ALA  66          2HB       ALA  66  11.764   3.896  -1.526
  460   3HB   ALA  66          3HB       ALA  66  11.565   5.244  -2.644
  461    H    LEU  67           H        LEU  67  11.102   1.913  -2.353
  462    HA   LEU  67           HA       LEU  67  11.716   1.599  -5.036
  463   1HB   LEU  67          2HB       LEU  67  11.266  -0.498  -2.915
  464    HG   LEU  67           HG       LEU  67  13.164   0.922  -2.374
  465   1HD1  LEU  67          1HD1      LEU  67  14.004  -1.743  -3.508
  466   2HD1  LEU  67          2HD1      LEU  67  14.917  -0.787  -2.340
  467   3HD1  LEU  67          3HD1      LEU  67  13.346  -1.457  -1.897
  468   1HD2  LEU  67          1HD2      LEU  67  14.121   0.256  -5.157
  469   2HD2  LEU  67          2HD2      LEU  67  13.630   1.841  -4.561
  470   3HD2  LEU  67          3HD2      LEU  67  15.081   1.069  -3.921
  471    H    ILE  68           H        ILE  68   9.086  -0.062  -3.281
  472    HA   ILE  68           HA       ILE  68   7.910  -1.144  -5.613
  473    HB   ILE  68           HB       ILE  68   5.970  -1.653  -4.207
  474   1HG1  ILE  68          2HG1      ILE  68   7.413  -0.042  -2.088
  475   1HG2  ILE  68          1HG2      ILE  68   7.125  -3.038  -2.534
  476   2HG2  ILE  68          2HG2      ILE  68   7.881  -3.140  -4.124
  477   3HG2  ILE  68          3HG2      ILE  68   8.619  -2.159  -2.860
  478   1HD1  ILE  68          1HD1      ILE  68   6.249  -1.946  -1.111
  479   2HD1  ILE  68          2HD1      ILE  68   5.464  -0.422  -0.696
  480   3HD1  ILE  68          3HD1      ILE  68   4.767  -1.465  -1.935
  481    H    GLU  69           H        GLU  69   5.949  -0.593  -6.654
  482    HA   GLU  69           HA       GLU  69   5.456   2.290  -6.702
  483   1HB   GLU  69          2HB       GLU  69   5.929   0.989  -8.813
  484   1HG   GLU  69          2HG       GLU  69   4.183   1.996 -10.176
  485    H    LEU  70           H        LEU  70   3.547   3.208  -6.118
  486    HA   LEU  70           HA       LEU  70   1.495   1.392  -5.040
  487   1HB   LEU  70          2HB       LEU  70   2.104   4.260  -4.320
  488    HG   LEU  70           HG       LEU  70   2.568   3.356  -2.048
  489   1HD1  LEU  70          1HD1      LEU  70   2.538   0.701  -3.471
  490   2HD1  LEU  70          2HD1      LEU  70   3.086   0.975  -1.817
  491   3HD1  LEU  70          3HD1      LEU  70   1.394   1.240  -2.241
  492   1HD2  LEU  70          1HD2      LEU  70   4.818   2.772  -2.491
  493   2HD2  LEU  70          2HD2      LEU  70   4.424   2.175  -4.101
  494   3HD2  LEU  70          3HD2      LEU  70   4.341   3.902  -3.757
  495    H    GLU  71           H        GLU  71  -0.611   1.589  -5.653
  496    HA   GLU  71           HA       GLU  71  -1.283   3.723  -7.561
  497   1HB   GLU  71          2HB       GLU  71  -0.823   1.692  -8.841
  498   1HG   GLU  71          2HG       GLU  71  -3.793   2.156  -8.687
  499    H    ALA  72           H        ALA  72  -2.921   4.869  -6.797
  500    HA   ALA  72           HA       ALA  72  -4.441   4.266  -4.564
  501   1HB   ALA  72          1HB       ALA  72  -5.227   6.044  -6.871
  502   2HB   ALA  72          2HB       ALA  72  -5.926   6.074  -5.253
  503   3HB   ALA  72          3HB       ALA  72  -4.236   6.519  -5.491
  504    H    VAL  73           H        VAL  73  -6.555   3.526  -4.248
  505    HA   VAL  73           HA       VAL  73  -7.359   1.407  -5.979
  506    HB   VAL  73           HB       VAL  73  -9.231   1.089  -4.454
  507   1HG1  VAL  73          1HG1      VAL  73  -7.048   0.210  -3.810
  508   2HG1  VAL  73          2HG1      VAL  73  -6.671   1.726  -2.991
  509   3HG1  VAL  73          3HG1      VAL  73  -7.975   0.700  -2.393
  510   1HG2  VAL  73          1HG2      VAL  73  -9.836   3.408  -4.071
  511   2HG2  VAL  73          2HG2      VAL  73  -9.556   2.591  -2.534
  512   3HG2  VAL  73          3HG2      VAL  73  -8.333   3.677  -3.189
  513    H    ALA  74           H        ALA  74  -9.967   1.354  -6.282
  514    HA   ALA  74           HA       ALA  74 -10.887   3.885  -7.407
  515   1HB   ALA  74          1HB       ALA  74  -9.703   2.771  -9.242
  516   2HB   ALA  74          2HB       ALA  74 -10.743   1.360  -9.049
  517   3HB   ALA  74          3HB       ALA  74 -11.433   2.900  -9.561
  518    H    GLN  75           H        GLN  75 -12.848   4.199  -6.605
  519    HA   GLN  75           HA       GLN  75 -14.427   2.005  -5.602
  520   1HB   GLN  75          2HB       GLN  75 -15.986   3.731  -4.862
  521   1HG   GLN  75          2HG       GLN  75 -14.228   5.648  -6.354
  522   1HE2  GLN  75          1HE2      GLN  75 -13.686   6.901  -4.570
  523   2HE2  GLN  75          2HE2      GLN  75 -14.852   7.855  -3.727
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -1.368  13.985  -3.796
    2   2H    MET   1          2H        MET   1  -1.915  12.483  -4.351
    3   3H    MET   1          3H        MET   1  -1.499  13.692  -5.458
    4    HA   MET   1           HA       MET   1   0.209  11.996  -5.321
    5   1HB   MET   1          2HB       MET   1   0.878  14.246  -5.920
    6   1HG   MET   1          2HG       MET   1   3.168  14.333  -5.194
    7   1HE   MET   1          1HE       MET   1   2.546  11.964  -8.286
    8   2HE   MET   1          2HE       MET   1   1.367  13.002  -7.483
    9   3HE   MET   1          3HE       MET   1   3.002  13.592  -7.783
   10    H    GLN   2           H        GLN   2  -0.209  13.748  -2.257
   11    HA   GLN   2           HA       GLN   2   1.548  11.996  -0.821
   12   1HB   GLN   2          2HB       GLN   2   1.304  14.289  -0.090
   13   1HG   GLN   2          2HG       GLN   2   0.778  14.053   2.249
   14   1HE2  GLN   2          1HE2      GLN   2   1.287  11.396   3.335
   15   2HE2  GLN   2          2HE2      GLN   2   2.928  11.026   2.946
   16    H    PHE   3           H        PHE   3   1.049  10.348   0.573
   17    HA   PHE   3           HA       PHE   3  -1.638   9.224   0.279
   18   1HB   PHE   3          2HB       PHE   3   0.855   7.927   1.401
   19    HD1  PHE   3           1HD      PHE   3  -1.055   6.241  -1.091
   20    HD2  PHE   3           2HD      PHE   3   2.139   8.993  -0.518
   21    HE1  PHE   3           1HE      PHE   3  -0.255   5.782  -3.373
   22    HE2  PHE   3           2HE      PHE   3   2.945   8.540  -2.799
   23    HZ   PHE   3           HZ       PHE   3   1.748   6.932  -4.229
   24    H    THR   4           H        THR   4  -2.812  10.406   1.770
   25    HA   THR   4           HA       THR   4  -1.887  10.573   4.518
   26    HB   THR   4           HB       THR   4  -4.031  11.813   4.896
   27    HG1  THR   4           1HG      THR   4  -5.334  12.259   3.158
   28   1HG2  THR   4          1HG2      THR   4  -3.355  13.810   3.636
   29   2HG2  THR   4          2HG2      THR   4  -2.274  12.817   2.656
   30   3HG2  THR   4          3HG2      THR   4  -1.972  13.009   4.384
   31    HA   PRO   5           HA       PRO   5  -4.161   7.114   6.023
   32   1HB   PRO   5          2HB       PRO   5  -4.741   7.885   8.545
   33   1HG   PRO   5          2HG       PRO   5  -4.368  10.170   8.360
   34   1HD   PRO   5          2HD       PRO   5  -3.232  11.065   6.575
   35    H    ASP   6           H        ASP   6  -5.997   7.204   4.683
   36    HA   ASP   6           HA       ASP   6  -8.463   7.393   5.937
   37   1HB   ASP   6          2HB       ASP   6  -9.407   9.429   4.846
   38    H    SER   7           H        SER   7  -6.673   7.743   2.935
   39    HA   SER   7           HA       SER   7  -8.850   6.418   1.476
   40   1HB   SER   7          2HB       SER   7  -6.440   7.943   0.460
   41    HG   SER   7           HG       SER   7  -8.080   9.288   1.236
   42    H    ALA   8           H        ALA   8  -8.480   4.555   0.271
   43    HA   ALA   8           HA       ALA   8  -6.375   2.864   1.288
   44   1HB   ALA   8          1HB       ALA   8  -8.630   1.978   0.964
   45   2HB   ALA   8          2HB       ALA   8  -8.506   2.284  -0.769
   46   3HB   ALA   8          3HB       ALA   8  -7.450   1.095  -0.004
   47    H    TRP   9           H        TRP   9  -5.203   1.422  -0.346
   48    HA   TRP   9           HA       TRP   9  -4.586   2.656  -2.885
   49   1HB   TRP   9          2HB       TRP   9  -2.360   2.335  -0.868
   50    HD1  TRP   9           HD       TRP   9  -3.359   3.823   1.092
   51    HE1  TRP   9           1HE      TRP   9  -3.783   6.352   1.307
   52    HE3  TRP   9           3HE      TRP   9  -2.969   5.134  -3.835
   53    HZ2  TRP   9           2HZ      TRP   9  -3.934   8.604  -0.385
   54    HZ3  TRP   9           3HZ      TRP   9  -3.269   7.498  -4.453
   55    HH2  TRP   9           HH       TRP   9  -3.741   9.195  -2.762
   56    H    LYS  10           H        LYS  10  -3.096   1.329  -4.177
   57    HA   LYS  10           HA       LYS  10  -3.200  -1.493  -3.342
   58   1HB   LYS  10          2HB       LYS  10  -3.331  -0.309  -6.119
   59   1HG   LYS  10          2HG       LYS  10  -5.350  -1.861  -4.513
   60   1HD   LYS  10          2HD       LYS  10  -5.483  -0.904  -7.371
   61   1HE   LYS  10          2HE       LYS  10  -7.637  -2.078  -7.412
   62   1HZ   LYS  10          1HZ       LYS  10  -7.662   0.279  -6.923
   63   2HZ   LYS  10          2HZ       LYS  10  -7.471  -0.029  -5.270
   64   3HZ   LYS  10          3HZ       LYS  10  -8.889  -0.507  -6.060
   65    H    ILE  11           H        ILE  11  -1.392  -2.735  -3.469
   66    HA   ILE  11           HA       ILE  11   1.129  -1.365  -3.680
   67    HB   ILE  11           HB       ILE  11   0.569  -4.305  -3.261
   68   1HG1  ILE  11          2HG1      ILE  11   1.174  -2.109  -1.269
   69   1HG2  ILE  11          1HG2      ILE  11   3.095  -2.707  -2.863
   70   2HG2  ILE  11          2HG2      ILE  11   2.869  -4.397  -2.408
   71   3HG2  ILE  11          3HG2      ILE  11   2.810  -3.927  -4.106
   72   1HD1  ILE  11          1HD1      ILE  11   0.796  -3.785   0.453
   73   2HD1  ILE  11          2HD1      ILE  11   0.653  -5.033  -0.786
   74   3HD1  ILE  11          3HD1      ILE  11   2.187  -4.196  -0.550
   75    H    THR  12           H        THR  12   2.438  -1.270  -5.385
   76    HA   THR  12           HA       THR  12   2.117  -3.233  -7.545
   77    HB   THR  12           HB       THR  12   2.456  -1.442  -9.231
   78    HG1  THR  12           1HG      THR  12   1.843   0.391  -7.147
   79   1HG2  THR  12          1HG2      THR  12   0.202  -2.259  -8.752
   80   2HG2  THR  12          2HG2      THR  12   0.178  -0.540  -9.141
   81   3HG2  THR  12          3HG2      THR  12   0.035  -1.065  -7.463
   82    H    GLY  13           H        GLY  13   4.008  -3.775  -5.914
   83   1HA   GLY  13          1HA       GLY  13   6.434  -2.451  -5.959
   84   2HA   GLY  13          2HA       GLY  13   6.260  -4.186  -5.761
   85    H    PHE  14           H        PHE  14   7.072  -1.616  -7.909
   86    HA   PHE  14           HA       PHE  14   8.210  -3.547  -9.765
   87   1HB   PHE  14          2HB       PHE  14   5.932  -3.041 -10.628
   88    HD1  PHE  14           1HD      PHE  14   6.590  -4.571 -12.300
   89    HD2  PHE  14           2HD      PHE  14   8.123  -0.601 -12.313
   90    HE1  PHE  14           1HE      PHE  14   7.485  -4.930 -14.563
   91    HE2  PHE  14           2HE      PHE  14   9.021  -0.951 -14.577
   92    HZ   PHE  14           HZ       PHE  14   8.703  -3.119 -15.705
   93    H    SER  15           H        SER  15  10.273  -2.911  -9.351
   94    HA   SER  15           HA       SER  15  10.920  -0.070  -9.785
   95   1HB   SER  15          2HB       SER  15  12.521  -2.141  -8.266
   96    HG   SER  15           HG       SER  15  10.438  -1.240  -7.355
   97    H    ARG  16           H        ARG  16  13.046   0.353 -10.790
   98    HA   ARG  16           HA       ARG  16  13.301  -0.905 -13.259
   99   1HB   ARG  16          2HB       ARG  16  15.279   0.379 -13.588
  100   1HG   ARG  16          2HG       ARG  16  16.447  -0.250 -11.482
  101   1HD   ARG  16          2HD       ARG  16  14.653   1.883 -10.339
  102    HE   ARG  16           HE       ARG  16  17.262   1.063  -9.444
  103   1HH1  ARG  16          2HH1      ARG  16  14.149   2.296  -8.478
  104   2HH1  ARG  16          1HH1      ARG  16  14.745   3.023  -7.023
  105   1HH2  ARG  16          2HH2      ARG  16  18.056   2.019  -7.531
  106   2HH2  ARG  16          1HH2      ARG  16  16.966   2.864  -6.484
  107    H    ASP  17           H        ASP  17  14.514  -1.831 -10.171
  108    HA   ASP  17           HA       ASP  17  15.482  -4.316 -11.214
  109   1HB   ASP  17          2HB       ASP  17  17.430  -2.880 -11.671
  110    H    ILE  18           H        ILE  18  13.463  -3.763  -9.428
  111    HA   ILE  18           HA       ILE  18  13.933  -3.645  -6.748
  112    HB   ILE  18           HB       ILE  18  11.679  -3.778  -7.661
  113   1HG1  ILE  18          2HG1      ILE  18  12.295  -6.000  -5.702
  114   1HG2  ILE  18          1HG2      ILE  18  12.099  -5.437  -9.403
  115   2HG2  ILE  18          2HG2      ILE  18  12.281  -6.688  -8.171
  116   3HG2  ILE  18          3HG2      ILE  18  10.722  -5.895  -8.401
  117   1HD1  ILE  18          1HD1      ILE  18  10.035  -6.270  -6.520
  118   2HD1  ILE  18          2HD1      ILE  18  10.029  -5.671  -4.861
  119   3HD1  ILE  18          3HD1      ILE  18   9.697  -4.569  -6.197
  120    H    SER  19           H        SER  19  14.941  -4.842  -5.261
  121    HA   SER  19           HA       SER  19  16.248  -7.291  -6.054
  122   1HB   SER  19          2HB       SER  19  17.256  -7.207  -3.797
  123    HG   SER  19           HG       SER  19  16.110  -4.729  -3.285
  124    HA   PRO  20           HA       PRO  20  13.373 -10.246  -4.500
  125   1HB   PRO  20          2HB       PRO  20  15.035 -12.065  -3.304
  126   1HG   PRO  20          2HG       PRO  20  17.006 -10.840  -3.360
  127   1HD   PRO  20          2HD       PRO  20  17.256  -8.972  -4.705
  128    H    ALA  21           H        ALA  21  15.761  -8.941  -2.280
  129    HA   ALA  21           HA       ALA  21  14.901  -9.892   0.150
  130   1HB   ALA  21          1HB       ALA  21  15.827  -7.086  -0.462
  131   2HB   ALA  21          2HB       ALA  21  15.786  -7.833   1.135
  132   3HB   ALA  21          3HB       ALA  21  16.864  -8.467  -0.107
  133    H    TYR  22           H        TYR  22  13.611  -7.137  -1.673
  134    HA   TYR  22           HA       TYR  22  11.501  -6.710   0.265
  135   1HB   TYR  22          2HB       TYR  22  12.029  -5.401  -2.413
  136    HD1  TYR  22           1HD      TYR  22  14.335  -4.837  -2.074
  137    HD2  TYR  22           2HD      TYR  22  11.425  -3.845   0.866
  138    HE1  TYR  22           1HE      TYR  22  15.965  -3.366  -0.967
  139    HE2  TYR  22           2HE      TYR  22  13.047  -2.370   1.982
  140    HH   TYR  22           HH       TYR  22  15.928  -1.384   0.544
  141    H    ARG  23           H        ARG  23  11.750  -7.691  -3.141
  142    HA   ARG  23           HA       ARG  23   9.043  -8.148  -3.619
  143   1HB   ARG  23          2HB       ARG  23  10.765  -8.079  -5.380
  144   1HG   ARG  23          2HG       ARG  23  10.039  -9.944  -6.765
  145   1HD   ARG  23          2HD       ARG  23   7.751  -8.891  -5.112
  146    HE   ARG  23           HE       ARG  23   6.693 -10.204  -6.681
  147   1HH1  ARG  23          2HH1      ARG  23   9.128  -8.243  -8.232
  148   2HH1  ARG  23          1HH1      ARG  23   8.578  -8.607  -9.832
  149   1HH2  ARG  23          2HH2      ARG  23   5.974 -10.687  -8.787
  150   2HH2  ARG  23          1HH2      ARG  23   6.789  -9.995 -10.148
  151    H    GLN  24           H        GLN  24  11.519 -10.623  -2.913
  152    HA   GLN  24           HA       GLN  24   9.847 -12.790  -2.599
  153   1HB   GLN  24          2HB       GLN  24  12.357 -12.206  -1.016
  154   1HG   GLN  24          2HG       GLN  24  12.820 -12.087  -3.395
  155   1HE2  GLN  24          1HE2      GLN  24  11.096 -12.291  -4.812
  156   2HE2  GLN  24          2HE2      GLN  24  10.669 -13.801  -5.534
  157    H    LYS  25           H        LYS  25  10.569 -10.213  -0.331
  158    HA   LYS  25           HA       LYS  25   9.653 -11.260   2.041
  159   1HB   LYS  25          2HB       LYS  25  10.682  -8.959   1.526
  160   1HG   LYS  25          2HG       LYS  25   8.374  -9.022   3.456
  161   1HD   LYS  25          2HD       LYS  25  10.780  -7.254   3.138
  162   1HE   LYS  25          2HE       LYS  25   9.088  -7.611   5.604
  163   1HZ   LYS  25          1HZ       LYS  25   9.713  -5.310   5.257
  164   2HZ   LYS  25          2HZ       LYS  25  11.335  -5.746   5.060
  165   3HZ   LYS  25          3HZ       LYS  25  10.578  -5.958   6.559
  166    H    LEU  26           H        LEU  26   7.735  -9.475  -0.376
  167    HA   LEU  26           HA       LEU  26   5.261  -9.804   0.931
  168   1HB   LEU  26          2HB       LEU  26   5.854  -9.350  -1.993
  169    HG   LEU  26           HG       LEU  26   6.679  -7.497  -0.607
  170   1HD1  LEU  26          1HD1      LEU  26   5.419  -5.704  -1.688
  171   2HD1  LEU  26          2HD1      LEU  26   5.763  -7.017  -2.812
  172   3HD1  LEU  26          3HD1      LEU  26   4.150  -6.851  -2.118
  173   1HD2  LEU  26          1HD2      LEU  26   5.124  -6.171   0.724
  174   2HD2  LEU  26          2HD2      LEU  26   3.831  -7.316   0.371
  175   3HD2  LEU  26          3HD2      LEU  26   5.223  -7.825   1.327
  176    H    LEU  27           H        LEU  27   6.847 -11.679  -1.623
  177    HA   LEU  27           HA       LEU  27   4.852 -13.415  -2.329
  178   1HB   LEU  27          2HB       LEU  27   7.774 -14.059  -1.937
  179    HG   LEU  27           HG       LEU  27   7.517 -12.271  -3.573
  180   1HD1  LEU  27          1HD1      LEU  27   9.189 -14.025  -3.962
  181   2HD1  LEU  27          2HD1      LEU  27   8.006 -14.932  -4.903
  182   3HD1  LEU  27          3HD1      LEU  27   8.564 -13.358  -5.470
  183   1HD2  LEU  27          1HD2      LEU  27   5.622 -14.141  -4.992
  184   2HD2  LEU  27          2HD2      LEU  27   5.166 -12.665  -4.142
  185   3HD2  LEU  27          3HD2      LEU  27   6.181 -12.577  -5.583
  186    H    SER  28           H        SER  28   6.599 -13.278   0.659
  187    HA   SER  28           HA       SER  28   6.023 -15.906   1.567
  188   1HB   SER  28          2HB       SER  28   7.841 -14.595   2.542
  189    HG   SER  28           HG       SER  28   6.527 -16.126   3.861
  190    H    LEU  29           H        LEU  29   4.328 -12.838   1.736
  191    HA   LEU  29           HA       LEU  29   2.254 -13.996   3.433
  192   1HB   LEU  29          2HB       LEU  29   2.548 -11.194   2.348
  193    HG   LEU  29           HG       LEU  29   4.297 -11.580   3.984
  194   1HD1  LEU  29          1HD1      LEU  29   1.987 -10.045   5.168
  195   2HD1  LEU  29          2HD1      LEU  29   3.681  -9.891   5.633
  196   3HD1  LEU  29          3HD1      LEU  29   3.166  -9.418   4.015
  197   1HD2  LEU  29          1HD2      LEU  29   3.743 -12.264   6.280
  198   2HD2  LEU  29          2HD2      LEU  29   2.075 -12.541   5.783
  199   3HD2  LEU  29          3HD2      LEU  29   3.371 -13.523   5.102
  200    H    GLY  30           H        GLY  30   2.879 -13.185   0.131
  201   1HA   GLY  30          1HA       GLY  30   1.597 -14.186  -1.622
  202   2HA   GLY  30          2HA       GLY  30   0.195 -14.162  -0.563
  203    H    MET  31           H        MET  31   2.210 -11.351  -0.750
  204    HA   MET  31           HA       MET  31   0.020  -9.931  -2.078
  205   1HB   MET  31          2HB       MET  31   2.391  -8.851  -0.545
  206   1HG   MET  31          2HG       MET  31  -0.510  -8.995   0.237
  207   1HE   MET  31          1HE       MET  31  -1.223  -8.209   2.692
  208   2HE   MET  31          2HE       MET  31   0.083  -9.187   3.360
  209   3HE   MET  31          3HE       MET  31  -0.094  -7.500   3.846
  210    H    LEU  32           H        LEU  32   0.411 -10.432  -4.224
  211    HA   LEU  32           HA       LEU  32   3.019  -9.797  -5.363
  212   1HB   LEU  32          2HB       LEU  32   0.525 -11.009  -6.554
  213    HG   LEU  32           HG       LEU  32   3.239 -12.247  -6.073
  214   1HD1  LEU  32          1HD1      LEU  32   0.575 -12.642  -4.732
  215   2HD1  LEU  32          2HD1      LEU  32   1.913 -13.781  -4.598
  216   3HD1  LEU  32          3HD1      LEU  32   2.095 -12.134  -3.996
  217   1HD2  LEU  32          1HD2      LEU  32   2.202 -13.024  -8.141
  218   2HD2  LEU  32          2HD2      LEU  32   2.216 -14.294  -6.918
  219   3HD2  LEU  32          3HD2      LEU  32   0.725 -13.414  -7.262
  220    HA   PRO  33           HA       PRO  33   2.346  -5.795  -7.043
  221   1HB   PRO  33          2HB       PRO  33   2.462  -7.113  -9.734
  222   1HG   PRO  33          2HG       PRO  33   4.609  -7.935  -9.335
  223   1HD   PRO  33          2HD       PRO  33   3.448  -9.427  -8.035
  224    H    GLY  34           H        GLY  34   0.386  -4.918  -6.884
  225   1HA   GLY  34          1HA       GLY  34  -1.620  -4.250  -8.061
  226   2HA   GLY  34          2HA       GLY  34  -1.729  -5.886  -8.694
  227    H    SER  35           H        SER  35  -0.970  -5.180  -5.350
  228    HA   SER  35           HA       SER  35  -3.411  -6.582  -4.556
  229   1HB   SER  35          2HB       SER  35  -1.292  -7.381  -3.599
  230    HG   SER  35           HG       SER  35  -2.880  -7.721  -2.166
  231    H    SER  36           H        SER  36  -4.323  -5.745  -2.360
  232    HA   SER  36           HA       SER  36  -4.591  -2.815  -2.532
  233   1HB   SER  36          2HB       SER  36  -6.632  -3.900  -3.331
  234    HG   SER  36           HG       SER  36  -7.904  -2.628  -2.198
  235    H    PHE  37           H        PHE  37  -4.847  -1.676  -0.584
  236    HA   PHE  37           HA       PHE  37  -4.859  -3.023   1.947
  237   1HB   PHE  37          2HB       PHE  37  -2.675  -2.352   2.722
  238    HD1  PHE  37           1HD      PHE  37  -1.920  -0.137   2.898
  239    HD2  PHE  37           2HD      PHE  37  -2.022  -2.049  -0.902
  240    HE1  PHE  37           1HE      PHE  37  -0.628   1.721   1.934
  241    HE2  PHE  37           2HE      PHE  37  -0.728  -0.194  -1.873
  242    HZ   PHE  37           HZ       PHE  37  -0.028   1.693  -0.455
  243    H    HIS  38           H        HIS  38  -4.431  -1.330   3.759
  244    HA   HIS  38           HA       HIS  38  -5.468   1.289   2.901
  245   1HB   HIS  38          2HB       HIS  38  -6.341  -0.252   5.352
  246    HD1  HIS  38           1HD      HIS  38  -8.892   1.479   3.410
  247    HD2  HIS  38           2HD      HIS  38  -7.189  -2.312   3.464
  248    HE1  HIS  38           1HE      HIS  38 -10.471   0.013   2.114
  249    HE2  HIS  38           2HE      HIS  38  -9.405  -2.270   2.132
  250    H    VAL  39           H        VAL  39  -4.399   2.994   3.657
  251    HA   VAL  39           HA       VAL  39  -2.098   2.595   5.343
  252    HB   VAL  39           HB       VAL  39  -1.754   5.049   5.060
  253   1HG1  VAL  39          1HG1      VAL  39  -0.689   3.562   3.516
  254   2HG1  VAL  39          2HG1      VAL  39  -2.172   3.399   2.574
  255   3HG1  VAL  39          3HG1      VAL  39  -1.315   4.939   2.610
  256   1HG2  VAL  39          1HG2      VAL  39  -4.125   4.922   3.204
  257   2HG2  VAL  39          2HG2      VAL  39  -4.181   5.594   4.832
  258   3HG2  VAL  39          3HG2      VAL  39  -3.152   6.334   3.608
  259    H    VAL  40           H        VAL  40  -1.814   3.216   7.433
  260    HA   VAL  40           HA       VAL  40  -4.233   4.010   8.884
  261    HB   VAL  40           HB       VAL  40  -1.626   2.950   9.981
  262   1HG1  VAL  40          1HG1      VAL  40  -4.306   3.406  11.290
  263   2HG1  VAL  40          2HG1      VAL  40  -2.938   2.581  12.038
  264   3HG1  VAL  40          3HG1      VAL  40  -2.812   4.287  11.609
  265   1HG2  VAL  40          1HG2      VAL  40  -2.740   0.830  10.240
  266   2HG2  VAL  40          2HG2      VAL  40  -4.246   1.501   9.610
  267   3HG2  VAL  40          3HG2      VAL  40  -2.846   1.331   8.552
  268    H    ARG  41           H        ARG  41  -0.845   4.927   8.440
  269    HA   ARG  41           HA       ARG  41  -1.425   7.671   8.979
  270   1HB   ARG  41          2HB       ARG  41   0.001   7.942  10.944
  271   1HG   ARG  41          2HG       ARG  41   0.190   4.937  10.949
  272   1HD   ARG  41          2HD       ARG  41   1.130   6.986  12.954
  273    HE   ARG  41           HE       ARG  41   2.110   4.363  12.512
  274   1HH1  ARG  41          2HH1      ARG  41   1.169   6.565  15.039
  275   2HH1  ARG  41          1HH1      ARG  41   2.221   5.862  16.223
  276   1HH2  ARG  41          2HH2      ARG  41   3.499   3.428  14.061
  277   2HH2  ARG  41          1HH2      ARG  41   3.545   4.077  15.666
  278    H    VAL  42           H        VAL  42  -0.067   8.893   7.831
  279    HA   VAL  42           HA       VAL  42   2.620   7.878   7.233
  280    HB   VAL  42           HB       VAL  42   0.894   9.111   5.091
  281   1HG1  VAL  42          1HG1      VAL  42   2.590   8.111   3.601
  282   2HG1  VAL  42          2HG1      VAL  42   3.274   9.297   4.712
  283   3HG1  VAL  42          3HG1      VAL  42   3.487   7.573   5.021
  284   1HG2  VAL  42          1HG2      VAL  42   0.439   6.931   4.223
  285   2HG2  VAL  42          2HG2      VAL  42   1.452   6.177   5.452
  286   3HG2  VAL  42          3HG2      VAL  42  -0.060   6.955   5.915
  287    H    ALA  43           H        ALA  43   4.095   9.535   6.454
  288    HA   ALA  43           HA       ALA  43   3.296  12.251   7.278
  289   1HB   ALA  43          1HB       ALA  43   4.811  11.266   8.915
  290   2HB   ALA  43          2HB       ALA  43   5.990  10.945   7.642
  291   3HB   ALA  43          3HB       ALA  43   5.584  12.608   8.069
  292    HA   PRO  44           HA       PRO  44   4.574  13.520   3.240
  293   1HB   PRO  44          2HB       PRO  44   5.008  16.150   3.674
  294   1HG   PRO  44          2HG       PRO  44   5.132  16.148   5.994
  295   1HD   PRO  44          2HD       PRO  44   4.372  14.371   7.245
  296    H    LEU  45           H        LEU  45   6.648  13.756   5.978
  297    HA   LEU  45           HA       LEU  45   8.937  14.617   4.387
  298   1HB   LEU  45          2HB       LEU  45   8.640  15.597   6.603
  299    HG   LEU  45           HG       LEU  45  11.024  13.740   6.584
  300   1HD1  LEU  45          1HD1      LEU  45  12.239  15.708   5.776
  301   2HD1  LEU  45          2HD1      LEU  45  10.976  15.209   4.651
  302   3HD1  LEU  45          3HD1      LEU  45  10.724  16.606   5.700
  303   1HD2  LEU  45          1HD2      LEU  45  10.476  16.211   8.225
  304   2HD2  LEU  45          2HD2      LEU  45  10.535  14.553   8.827
  305   3HD2  LEU  45          3HD2      LEU  45  11.993  15.312   8.188
  306    H    GLY  46           H        GLY  46   8.007  11.872   6.460
  307   1HA   GLY  46          1HA       GLY  46   8.668   9.749   5.004
  308   2HA   GLY  46          2HA       GLY  46  10.265  10.319   5.467
  309    H    ASP  47           H        ASP  47   7.377   8.734   6.503
  310    HA   ASP  47           HA       ASP  47   8.721   7.999   9.001
  311   1HB   ASP  47          2HB       ASP  47   5.905   9.042   8.715
  312    HA   PRO  48           HA       PRO  48   7.167   3.961   8.134
  313   1HB   PRO  48          2HB       PRO  48   6.702   3.177  10.825
  314   1HG   PRO  48          2HG       PRO  48   7.894   4.613  12.113
  315   1HD   PRO  48          2HD       PRO  48   6.760   6.377  11.159
  316    H    VAL  49           H        VAL  49   5.248   3.595   7.252
  317    HA   VAL  49           HA       VAL  49   2.822   4.182   8.803
  318    HB   VAL  49           HB       VAL  49   2.774   5.401   6.777
  319   1HG1  VAL  49          1HG1      VAL  49   3.113   4.349   4.566
  320   2HG1  VAL  49          2HG1      VAL  49   4.550   4.308   5.588
  321   3HG1  VAL  49          3HG1      VAL  49   3.571   2.854   5.381
  322   1HG2  VAL  49          1HG2      VAL  49   0.919   4.327   5.470
  323   2HG2  VAL  49          2HG2      VAL  49   1.108   2.902   6.489
  324   3HG2  VAL  49          3HG2      VAL  49   0.630   4.441   7.205
  325    H    HIS  50           H        HIS  50   1.098   2.693   8.799
  326    HA   HIS  50           HA       HIS  50   1.946  -0.095   8.374
  327   1HB   HIS  50          2HB       HIS  50  -0.012   1.102  10.340
  328    HD1  HIS  50           1HD      HIS  50   1.809   2.221  11.743
  329    HD2  HIS  50           2HD      HIS  50   2.478  -1.822  11.056
  330    HE1  HIS  50           1HE      HIS  50   3.676   1.574  13.298
  331    HE2  HIS  50           2HE      HIS  50   4.093  -0.868  12.836
  332    H    ILE  51           H        ILE  51   0.834  -1.340   6.998
  333    HA   ILE  51           HA       ILE  51  -1.541  -0.166   5.728
  334    HB   ILE  51           HB       ILE  51  -1.126  -1.652   3.853
  335   1HG1  ILE  51          2HG1      ILE  51   1.257  -2.626   5.444
  336   1HG2  ILE  51          1HG2      ILE  51   1.013  -0.711   3.083
  337   2HG2  ILE  51          2HG2      ILE  51  -0.020   0.504   3.839
  338   3HG2  ILE  51          3HG2      ILE  51   1.349  -0.167   4.726
  339   1HD1  ILE  51          1HD1      ILE  51   1.842  -2.596   3.120
  340   2HD1  ILE  51          2HD1      ILE  51   1.532  -4.258   3.620
  341   3HD1  ILE  51          3HD1      ILE  51   0.320  -3.376   2.689
  342    H    GLU  52           H        GLU  52  -3.461  -1.232   5.642
  343    HA   GLU  52           HA       GLU  52  -3.652  -3.704   7.227
  344   1HB   GLU  52          2HB       GLU  52  -4.920  -1.806   8.127
  345   1HG   GLU  52          2HG       GLU  52  -6.761  -3.856   6.914
  346    H    THR  53           H        THR  53  -3.825  -5.481   6.047
  347    HA   THR  53           HA       THR  53  -5.249  -5.330   3.472
  348    HB   THR  53           HB       THR  53  -3.944  -7.267   2.742
  349    HG1  THR  53           1HG      THR  53  -2.716  -8.364   4.099
  350   1HG2  THR  53          1HG2      THR  53  -1.729  -6.189   2.617
  351   2HG2  THR  53          2HG2      THR  53  -2.241  -5.030   3.841
  352   3HG2  THR  53          3HG2      THR  53  -3.039  -5.061   2.270
  353    H    ARG  54           H        ARG  54  -5.767  -7.882   2.906
  354    HA   ARG  54           HA       ARG  54  -8.073  -8.486   4.291
  355   1HB   ARG  54          2HB       ARG  54  -7.402  -9.386   2.055
  356   1HG   ARG  54          2HG       ARG  54  -8.358 -11.629   2.303
  357   1HD   ARG  54          2HD       ARG  54 -10.497 -10.965   3.330
  358    HE   ARG  54           HE       ARG  54  -9.440  -9.764   1.123
  359   1HH1  ARG  54          2HH1      ARG  54 -11.617  -8.771   3.653
  360   2HH1  ARG  54          1HH1      ARG  54 -12.485  -7.660   2.649
  361   1HH2  ARG  54          2HH2      ARG  54 -10.577  -8.306  -0.212
  362   2HH2  ARG  54          1HH2      ARG  54 -11.896  -7.397   0.447
  363    H    ARG  55           H        ARG  55  -8.005  -8.625   6.481
  364    HA   ARG  55           HA       ARG  55  -7.583  -9.426   8.557
  365   1HB   ARG  55          2HB       ARG  55  -7.115 -11.987   7.023
  366   1HG   ARG  55          2HG       ARG  55  -9.648 -10.985   8.307
  367   1HD   ARG  55          2HD       ARG  55  -9.069 -13.446   6.665
  368    HE   ARG  55           HE       ARG  55 -11.531 -12.186   7.081
  369   1HH1  ARG  55          2HH1      ARG  55 -10.070 -15.329   7.414
  370   2HH1  ARG  55          1HH1      ARG  55 -11.551 -16.189   7.154
  371   1HH2  ARG  55          2HH2      ARG  55 -13.488 -13.309   6.737
  372   2HH2  ARG  55          1HH2      ARG  55 -13.494 -15.041   6.771
  373    H    VAL  56           H        VAL  56  -5.284  -8.330   7.077
  374    HA   VAL  56           HA       VAL  56  -3.216  -9.402   8.816
  375    HB   VAL  56           HB       VAL  56  -2.824  -9.277   5.823
  376   1HG1  VAL  56          1HG1      VAL  56  -0.595 -10.211   6.313
  377   2HG1  VAL  56          2HG1      VAL  56  -0.817  -8.598   6.993
  378   3HG1  VAL  56          3HG1      VAL  56  -0.915 -10.016   8.037
  379   1HG2  VAL  56          1HG2      VAL  56  -4.125 -11.222   6.513
  380   2HG2  VAL  56          2HG2      VAL  56  -2.518 -11.698   5.970
  381   3HG2  VAL  56          3HG2      VAL  56  -2.885 -11.642   7.694
  382    H    SER  57           H        SER  57  -2.029  -7.812   9.639
  383    HA   SER  57           HA       SER  57  -2.139  -5.177   8.332
  384   1HB   SER  57          2HB       SER  57  -3.156  -5.201  10.556
  385    HG   SER  57           HG       SER  57  -0.735  -3.964  11.118
  386    H    LEU  58           H        LEU  58  -0.355  -4.872   7.159
  387    HA   LEU  58           HA       LEU  58   2.219  -5.788   8.243
  388   1HB   LEU  58          2HB       LEU  58   1.620  -6.616   6.010
  389    HG   LEU  58           HG       LEU  58   3.905  -4.645   5.898
  390   1HD1  LEU  58          1HD1      LEU  58   3.860  -7.600   6.493
  391   2HD1  LEU  58          2HD1      LEU  58   5.300  -6.591   6.360
  392   3HD1  LEU  58          3HD1      LEU  58   4.147  -6.312   7.664
  393   1HD2  LEU  58          1HD2      LEU  58   4.716  -6.075   4.048
  394   2HD2  LEU  58          2HD2      LEU  58   3.178  -6.937   4.079
  395   3HD2  LEU  58          3HD2      LEU  58   3.220  -5.224   3.663
  396    H    VAL  59           H        VAL  59   4.080  -4.397   8.039
  397    HA   VAL  59           HA       VAL  59   3.362  -1.542   8.181
  398    HB   VAL  59           HB       VAL  59   4.174  -2.414  10.319
  399   1HG1  VAL  59          1HG1      VAL  59   6.684  -3.096   8.792
  400   2HG1  VAL  59          2HG1      VAL  59   6.497  -3.184  10.543
  401   3HG1  VAL  59          3HG1      VAL  59   5.548  -4.244   9.501
  402   1HG2  VAL  59          1HG2      VAL  59   6.166  -0.594   8.968
  403   2HG2  VAL  59          2HG2      VAL  59   4.653  -0.093   9.722
  404   3HG2  VAL  59          3HG2      VAL  59   5.945  -0.774  10.709
  405    H    LEU  60           H        LEU  60   4.356  -0.141   6.851
  406    HA   LEU  60           HA       LEU  60   6.586  -1.158   5.215
  407   1HB   LEU  60          2HB       LEU  60   4.478   0.854   4.426
  408    HG   LEU  60           HG       LEU  60   3.478  -1.356   4.377
  409   1HD1  LEU  60          1HD1      LEU  60   2.963  -1.498   1.974
  410   2HD1  LEU  60          2HD1      LEU  60   2.885   0.154   2.584
  411   3HD1  LEU  60          3HD1      LEU  60   4.281  -0.374   1.644
  412   1HD2  LEU  60          1HD2      LEU  60   4.436  -3.150   3.019
  413   2HD2  LEU  60          2HD2      LEU  60   5.847  -2.146   2.686
  414   3HD2  LEU  60          3HD2      LEU  60   5.518  -2.688   4.332
  415    H    ARG  61           H        ARG  61   8.368   0.126   4.944
  416    HA   ARG  61           HA       ARG  61   8.444   2.562   6.588
  417   1HB   ARG  61          2HB       ARG  61  10.745   0.845   5.643
  418   1HG   ARG  61          2HG       ARG  61   9.488   1.029   8.372
  419   1HD   ARG  61          2HD       ARG  61  11.885  -0.513   7.394
  420    HE   ARG  61           HE       ARG  61  10.223  -1.307   9.405
  421   1HH1  ARG  61          2HH1      ARG  61  13.525  -0.211   9.235
  422   2HH1  ARG  61          1HH1      ARG  61  14.039  -1.142  10.602
  423   1HH2  ARG  61          2HH2      ARG  61  10.889  -2.536  11.204
  424   2HH2  ARG  61          1HH2      ARG  61  12.541  -2.466  11.721
  425    H    LYS  62           H        LYS  62   9.438   4.433   5.804
  426    HA   LYS  62           HA       LYS  62   8.835   5.289   3.294
  427   1HB   LYS  62          2HB       LYS  62  10.476   7.086   3.615
  428   1HG   LYS  62          2HG       LYS  62  12.035   5.270   4.916
  429   1HD   LYS  62          2HD       LYS  62  11.312   7.206   7.064
  430   1HE   LYS  62          2HE       LYS  62  12.380   4.387   7.102
  431   1HZ   LYS  62          1HZ       LYS  62  12.949   4.896   9.384
  432   2HZ   LYS  62          2HZ       LYS  62  11.279   5.037   9.157
  433   3HZ   LYS  62          3HZ       LYS  62  12.239   6.427   9.257
  434    H    LYS  63           H        LYS  63  11.573   3.354   4.226
  435    HA   LYS  63           HA       LYS  63  12.995   3.781   1.749
  436   1HB   LYS  63          2HB       LYS  63  14.546   2.060   2.613
  437   1HG   LYS  63          2HG       LYS  63  12.825   2.013   5.080
  438   1HD   LYS  63          2HD       LYS  63  14.333   0.289   5.828
  439   1HE   LYS  63          2HE       LYS  63  15.870   2.657   4.766
  440   1HZ   LYS  63          1HZ       LYS  63  17.316   0.872   5.536
  441   2HZ   LYS  63          2HZ       LYS  63  16.508   0.832   7.020
  442   3HZ   LYS  63          3HZ       LYS  63  17.389   2.205   6.576
  443    H    ASP  64           H        ASP  64  10.750   1.473   3.073
  444    HA   ASP  64           HA       ASP  64  11.184  -0.563   1.124
  445   1HB   ASP  64          2HB       ASP  64  10.188  -1.052   3.317
  446    H    LEU  65           H        LEU  65   9.192   2.295   1.305
  447    HA   LEU  65           HA       LEU  65   7.540   1.570  -0.942
  448   1HB   LEU  65          2HB       LEU  65   7.895   4.154   0.571
  449    HG   LEU  65           HG       LEU  65   5.643   2.148   0.536
  450   1HD1  LEU  65          1HD1      LEU  65   5.996   2.194   2.981
  451   2HD1  LEU  65          2HD1      LEU  65   7.394   1.590   2.092
  452   3HD1  LEU  65          3HD1      LEU  65   7.398   3.235   2.730
  453   1HD2  LEU  65          1HD2      LEU  65   4.718   4.393   0.351
  454   2HD2  LEU  65          2HD2      LEU  65   4.421   3.723   1.955
  455   3HD2  LEU  65          3HD2      LEU  65   5.694   4.921   1.721
  456    H    ALA  66           H        ALA  66  10.497   3.327  -0.406
  457    HA   ALA  66           HA       ALA  66  10.680   4.868  -2.696
  458   1HB   ALA  66          1HB       ALA  66  13.068   4.834  -2.392
  459   2HB   ALA  66          2HB       ALA  66  12.287   4.906  -0.812
  460   3HB   ALA  66          3HB       ALA  66  12.959   3.383  -1.395
  461    H    LEU  67           H        LEU  67  10.830   1.431  -2.366
  462    HA   LEU  67           HA       LEU  67  11.924   1.112  -5.062
  463   1HB   LEU  67          2HB       LEU  67  11.360  -0.859  -2.854
  464    HG   LEU  67           HG       LEU  67  13.474   0.341  -2.563
  465   1HD1  LEU  67          1HD1      LEU  67  14.969  -1.612  -2.534
  466   2HD1  LEU  67          2HD1      LEU  67  13.377  -1.976  -1.871
  467   3HD1  LEU  67          3HD1      LEU  67  13.795  -2.506  -3.500
  468   1HD2  LEU  67          1HD2      LEU  67  13.874   0.997  -4.864
  469   2HD2  LEU  67          2HD2      LEU  67  15.256   0.101  -4.236
  470   3HD2  LEU  67          3HD2      LEU  67  14.115  -0.687  -5.326
  471    H    ILE  68           H        ILE  68   9.252  -0.370  -3.209
  472    HA   ILE  68           HA       ILE  68   7.876  -1.256  -5.508
  473    HB   ILE  68           HB       ILE  68   5.983  -1.691  -4.034
  474   1HG1  ILE  68          2HG1      ILE  68   7.584  -0.263  -1.899
  475   1HG2  ILE  68          1HG2      ILE  68   7.094  -3.186  -2.442
  476   2HG2  ILE  68          2HG2      ILE  68   7.827  -3.278  -4.045
  477   3HG2  ILE  68          3HG2      ILE  68   8.628  -2.376  -2.758
  478   1HD1  ILE  68          1HD1      ILE  68   6.207  -2.070  -0.999
  479   2HD1  ILE  68          2HD1      ILE  68   5.617  -0.479  -0.514
  480   3HD1  ILE  68          3HD1      ILE  68   4.792  -1.375  -1.789
  481    H    GLU  69           H        GLU  69   5.885  -0.509  -6.400
  482    HA   GLU  69           HA       GLU  69   5.610   2.411  -6.225
  483   1HB   GLU  69          2HB       GLU  69   6.107   1.285  -8.443
  484   1HG   GLU  69          2HG       GLU  69   3.509   2.802  -8.385
  485    H    LEU  70           H        LEU  70   3.514   3.366  -6.167
  486    HA   LEU  70           HA       LEU  70   1.473   1.606  -4.979
  487   1HB   LEU  70          2HB       LEU  70   1.986   4.554  -4.569
  488    HG   LEU  70           HG       LEU  70   2.146   3.943  -2.159
  489   1HD1  LEU  70          1HD1      LEU  70   0.964   1.817  -2.246
  490   2HD1  LEU  70          2HD1      LEU  70   2.259   1.124  -3.221
  491   3HD1  LEU  70          3HD1      LEU  70   2.574   1.618  -1.558
  492   1HD2  LEU  70          1HD2      LEU  70   4.201   2.566  -3.882
  493   2HD2  LEU  70          2HD2      LEU  70   4.137   4.305  -3.598
  494   3HD2  LEU  70          3HD2      LEU  70   4.426   3.201  -2.252
  495    H    GLU  71           H        GLU  71  -0.701   1.866  -5.599
  496    HA   GLU  71           HA       GLU  71  -1.164   3.536  -7.976
  497   1HB   GLU  71          2HB       GLU  71  -0.837   1.245  -8.742
  498   1HG   GLU  71          2HG       GLU  71  -3.770   1.919  -8.776
  499    H    ALA  72           H        ALA  72  -2.924   4.776  -7.846
  500    HA   ALA  72           HA       ALA  72  -4.463   4.938  -5.505
  501   1HB   ALA  72          1HB       ALA  72  -4.110   6.826  -7.029
  502   2HB   ALA  72          2HB       ALA  72  -5.120   6.032  -8.237
  503   3HB   ALA  72          3HB       ALA  72  -5.821   6.555  -6.706
  504    H    VAL  73           H        VAL  73  -6.749   4.609  -5.228
  505    HA   VAL  73           HA       VAL  73  -7.608   2.035  -5.946
  506    HB   VAL  73           HB       VAL  73  -9.775   2.644  -4.981
  507   1HG1  VAL  73          1HG1      VAL  73  -7.980   2.026  -3.472
  508   2HG1  VAL  73          2HG1      VAL  73  -7.418   3.698  -3.420
  509   3HG1  VAL  73          3HG1      VAL  73  -8.988   3.273  -2.737
  510   1HG2  VAL  73          1HG2      VAL  73 -10.155   4.918  -4.128
  511   2HG2  VAL  73          2HG2      VAL  73  -8.651   5.443  -4.884
  512   3HG2  VAL  73          3HG2      VAL  73  -9.995   4.889  -5.883
  513    H    ALA  74           H        ALA  74  -9.996   1.825  -6.872
  514    HA   ALA  74           HA       ALA  74 -10.038   3.290  -9.432
  515   1HB   ALA  74          1HB       ALA  74  -9.423   0.915  -9.682
  516   2HB   ALA  74          2HB       ALA  74 -10.961   0.460  -8.949
  517   3HB   ALA  74          3HB       ALA  74 -10.939   1.312 -10.493
  518    H    GLN  75           H        GLN  75 -11.785   4.473  -9.810
  519    HA   GLN  75           HA       GLN  75 -14.119   4.133  -8.076
  520   1HB   GLN  75          2HB       GLN  75 -13.444   6.392  -9.972
  521   1HG   GLN  75          2HG       GLN  75 -11.840   6.373  -8.164
  522   1HE2  GLN  75          1HE2      GLN  75 -11.933   4.629  -6.750
  523   2HE2  GLN  75          2HE2      GLN  75 -12.767   4.715  -5.239
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1   0.212  15.050  -4.621
    2   2H    MET   1          2H        MET   1  -1.317  15.431  -5.238
    3   3H    MET   1          3H        MET   1  -0.837  13.815  -5.109
    4    HA   MET   1           HA       MET   1  -1.238  15.666  -2.834
    5   1HB   MET   1          2HB       MET   1  -2.950  13.363  -3.795
    6   1HG   MET   1          2HG       MET   1  -3.279  15.365  -5.162
    7   1HE   MET   1          1HE       MET   1  -5.398  16.363  -2.004
    8   2HE   MET   1          2HE       MET   1  -3.821  15.972  -1.320
    9   3HE   MET   1          3HE       MET   1  -4.400  17.638  -1.305
   10    H    GLN   2           H        GLN   2  -0.944  14.744  -0.789
   11    HA   GLN   2           HA       GLN   2   1.057  12.687  -0.700
   12   1HB   GLN   2          2HB       GLN   2  -0.387  14.093   1.551
   13   1HG   GLN   2          2HG       GLN   2   2.224  14.708   0.207
   14   1HE2  GLN   2          1HE2      GLN   2   0.350  16.769   2.272
   15   2HE2  GLN   2          2HE2      GLN   2   1.516  16.908   3.540
   16    H    PHE   3           H        PHE   3   0.699  11.084   1.317
   17    HA   PHE   3           HA       PHE   3  -1.827   9.674   0.753
   18   1HB   PHE   3          2HB       PHE   3   0.769   8.474   1.737
   19    HD1  PHE   3           1HD      PHE   3  -1.278   7.402  -1.106
   20    HD2  PHE   3           2HD      PHE   3   2.278   9.395   0.118
   21    HE1  PHE   3           1HE      PHE   3  -0.424   7.285  -3.412
   22    HE2  PHE   3           2HE      PHE   3   3.138   9.281  -2.184
   23    HZ   PHE   3           HZ       PHE   3   1.787   8.227  -3.952
   24    H    THR   4           H        THR   4  -3.242   9.927   2.357
   25    HA   THR   4           HA       THR   4  -2.222  10.020   5.120
   26    HB   THR   4           HB       THR   4  -4.368  11.166   5.688
   27    HG1  THR   4           1HG      THR   4  -5.484  10.427   3.747
   28   1HG2  THR   4          1HG2      THR   4  -2.314  12.444   5.329
   29   2HG2  THR   4          2HG2      THR   4  -3.724  13.340   4.765
   30   3HG2  THR   4          3HG2      THR   4  -2.667  12.537   3.605
   31    HA   PRO   5           HA       PRO   5  -4.456   6.352   6.114
   32   1HB   PRO   5          2HB       PRO   5  -5.126   6.798   8.699
   33   1HG   PRO   5          2HG       PRO   5  -4.787   9.100   8.779
   34   1HD   PRO   5          2HD       PRO   5  -3.532  10.202   7.188
   35    H    ASP   6           H        ASP   6  -6.237   6.700   4.690
   36    HA   ASP   6           HA       ASP   6  -8.752   6.676   5.899
   37   1HB   ASP   6          2HB       ASP   6  -8.420   9.058   6.293
   38    H    SER   7           H        SER   7  -6.939   7.531   2.996
   39    HA   SER   7           HA       SER   7  -9.046   6.441   1.292
   40   1HB   SER   7          2HB       SER   7  -6.442   7.823   0.597
   41    HG   SER   7           HG       SER   7  -7.902   9.494  -0.051
   42    H    ALA   8           H        ALA   8  -8.783   4.655  -0.027
   43    HA   ALA   8           HA       ALA   8  -6.811   2.739   0.879
   44   1HB   ALA   8          1HB       ALA   8  -8.960   2.421  -1.213
   45   2HB   ALA   8          2HB       ALA   8  -8.022   1.129  -0.462
   46   3HB   ALA   8          3HB       ALA   8  -9.155   2.076   0.505
   47    H    TRP   9           H        TRP   9  -5.518   1.476  -0.652
   48    HA   TRP   9           HA       TRP   9  -4.928   2.727  -3.208
   49   1HB   TRP   9          2HB       TRP   9  -2.720   2.307  -1.189
   50    HD1  TRP   9           HD       TRP   9  -4.089   3.717   0.730
   51    HE1  TRP   9           1HE      TRP   9  -4.313   6.260   1.054
   52    HE3  TRP   9           3HE      TRP   9  -2.718   5.256  -3.949
   53    HZ2  TRP   9           2HZ      TRP   9  -3.952   8.608  -0.471
   54    HZ3  TRP   9           3HZ      TRP   9  -2.682   7.668  -4.434
   55    HH2  TRP   9           HH       TRP   9  -3.287   9.309  -2.731
   56    H    LYS  10           H        LYS  10  -3.339   1.416  -4.475
   57    HA   LYS  10           HA       LYS  10  -3.589  -1.428  -3.753
   58   1HB   LYS  10          2HB       LYS  10  -3.510  -0.129  -6.478
   59   1HG   LYS  10          2HG       LYS  10  -5.626  -1.759  -5.092
   60   1HD   LYS  10          2HD       LYS  10  -5.580  -0.632  -7.890
   61   1HE   LYS  10          2HE       LYS  10  -7.721  -1.800  -8.142
   62   1HZ   LYS  10          1HZ       LYS  10  -7.721   0.089  -5.849
   63   2HZ   LYS  10          2HZ       LYS  10  -9.065  -0.319  -6.792
   64   3HZ   LYS  10          3HZ       LYS  10  -7.773   0.523  -7.484
   65    H    ILE  11           H        ILE  11  -1.820  -2.697  -3.726
   66    HA   ILE  11           HA       ILE  11   0.754  -1.419  -3.745
   67    HB   ILE  11           HB       ILE  11   0.023  -4.331  -3.391
   68   1HG1  ILE  11          2HG1      ILE  11   0.696  -2.195  -1.353
   69   1HG2  ILE  11          1HG2      ILE  11   2.322  -4.111  -4.123
   70   2HG2  ILE  11          2HG2      ILE  11   2.627  -2.897  -2.878
   71   3HG2  ILE  11          3HG2      ILE  11   2.271  -4.563  -2.419
   72   1HD1  ILE  11          1HD1      ILE  11   0.100  -3.819   0.334
   73   2HD1  ILE  11          2HD1      ILE  11  -0.168  -5.041  -0.907
   74   3HD1  ILE  11          3HD1      ILE  11   1.453  -4.406  -0.632
   75    H    THR  12           H        THR  12   2.296  -1.482  -5.272
   76    HA   THR  12           HA       THR  12   1.963  -3.291  -7.560
   77    HB   THR  12           HB       THR  12   2.676  -0.369  -7.873
   78    HG1  THR  12           1HG      THR  12   0.229  -1.692  -8.512
   79   1HG2  THR  12          1HG2      THR  12   2.293  -0.841 -10.270
   80   2HG2  THR  12          2HG2      THR  12   2.049  -2.542  -9.876
   81   3HG2  THR  12          3HG2      THR  12   3.620  -1.791  -9.603
   82    H    GLY  13           H        GLY  13   3.653  -4.081  -5.784
   83   1HA   GLY  13          1HA       GLY  13   6.208  -2.970  -5.644
   84   2HA   GLY  13          2HA       GLY  13   5.832  -4.668  -5.393
   85    H    PHE  14           H        PHE  14   6.799  -2.254  -7.735
   86    HA   PHE  14           HA       PHE  14   8.096  -4.344  -9.295
   87   1HB   PHE  14          2HB       PHE  14   5.949  -4.134 -10.410
   88    HD1  PHE  14           1HD      PHE  14   7.258  -5.589 -11.860
   89    HD2  PHE  14           2HD      PHE  14   7.546  -1.352 -12.126
   90    HE1  PHE  14           1HE      PHE  14   8.358  -5.807 -14.050
   91    HE2  PHE  14           2HE      PHE  14   8.646  -1.561 -14.318
   92    HZ   PHE  14           HZ       PHE  14   9.053  -3.791 -15.283
   93    H    SER  15           H        SER  15  10.088  -3.544  -8.728
   94    HA   SER  15           HA       SER  15  10.669  -0.741  -9.371
   95   1HB   SER  15          2HB       SER  15  12.393  -2.734  -7.880
   96    HG   SER  15           HG       SER  15  10.346  -2.097  -6.846
   97    H    ARG  16           H        ARG  16  13.251  -0.680  -9.937
   98    HA   ARG  16           HA       ARG  16  13.370  -1.922 -12.554
   99   1HB   ARG  16          2HB       ARG  16  15.150   0.071 -11.149
  100   1HG   ARG  16          2HG       ARG  16  14.438   1.617 -12.880
  101   1HD   ARG  16          2HD       ARG  16  12.003   0.347 -11.649
  102    HE   ARG  16           HE       ARG  16  12.318   2.763 -13.039
  103   1HH1  ARG  16          2HH1      ARG  16  10.926   1.521 -10.100
  104   2HH1  ARG  16          1HH1      ARG  16   9.693   2.734 -10.018
  105   1HH2  ARG  16          2HH2      ARG  16  10.700   4.368 -12.941
  106   2HH2  ARG  16          1HH2      ARG  16   9.567   4.357 -11.630
  107    H    ASP  17           H        ASP  17  14.775  -2.324  -9.406
  108    HA   ASP  17           HA       ASP  17  16.203  -4.684 -10.378
  109   1HB   ASP  17          2HB       ASP  17  18.234  -4.097  -9.139
  110    H    ILE  18           H        ILE  18  13.769  -4.224  -8.800
  111    HA   ILE  18           HA       ILE  18  13.928  -4.473  -6.104
  112    HB   ILE  18           HB       ILE  18  11.796  -4.469  -7.260
  113   1HG1  ILE  18          2HG1      ILE  18  12.171  -6.970  -5.600
  114   1HG2  ILE  18          1HG2      ILE  18  12.429  -7.295  -8.093
  115   2HG2  ILE  18          2HG2      ILE  18  10.934  -6.419  -8.413
  116   3HG2  ILE  18          3HG2      ILE  18  12.443  -5.889  -9.155
  117   1HD1  ILE  18          1HD1      ILE  18   9.854  -6.735  -4.964
  118   2HD1  ILE  18          2HD1      ILE  18   9.677  -5.350  -6.042
  119   3HD1  ILE  18          3HD1      ILE  18   9.991  -6.952  -6.709
  120    H    SER  19           H        SER  19  15.048  -5.726  -4.786
  121    HA   SER  19           HA       SER  19  16.262  -8.169  -5.714
  122   1HB   SER  19          2HB       SER  19  17.274  -8.236  -3.446
  123    HG   SER  19           HG       SER  19  16.015  -7.297  -2.016
  124    HA   PRO  20           HA       PRO  20  13.384 -11.193  -4.337
  125   1HB   PRO  20          2HB       PRO  20  15.023 -12.935  -2.953
  126   1HG   PRO  20          2HG       PRO  20  16.979 -11.696  -3.029
  127   1HD   PRO  20          2HD       PRO  20  17.241  -9.888  -4.461
  128    H    ALA  21           H        ALA  21  15.606  -9.894  -1.926
  129    HA   ALA  21           HA       ALA  21  14.479 -10.811   0.413
  130   1HB   ALA  21          1HB       ALA  21  15.369  -8.814   1.490
  131   2HB   ALA  21          2HB       ALA  21  16.524  -9.468   0.329
  132   3HB   ALA  21          3HB       ALA  21  15.571  -8.043  -0.083
  133    H    TYR  22           H        TYR  22  13.509  -7.991  -1.510
  134    HA   TYR  22           HA       TYR  22  11.242  -7.470   0.219
  135   1HB   TYR  22          2HB       TYR  22  12.110  -6.156  -2.364
  136    HD1  TYR  22           1HD      TYR  22  14.447  -5.986  -1.573
  137    HD2  TYR  22           2HD      TYR  22  11.211  -4.356   0.659
  138    HE1  TYR  22           1HE      TYR  22  16.034  -4.628  -0.276
  139    HE2  TYR  22           2HE      TYR  22  12.789  -2.992   1.962
  140    HH   TYR  22           HH       TYR  22  16.040  -2.577   1.058
  141    H    ARG  23           H        ARG  23  11.862  -8.780  -2.992
  142    HA   ARG  23           HA       ARG  23   9.134  -8.943  -3.784
  143   1HB   ARG  23          2HB       ARG  23  10.933  -8.939  -5.429
  144   1HG   ARG  23          2HG       ARG  23  10.372 -10.949  -6.770
  145   1HD   ARG  23          2HD       ARG  23   8.032  -9.506  -5.530
  146    HE   ARG  23           HE       ARG  23   7.793 -11.553  -7.269
  147   1HH1  ARG  23          2HH1      ARG  23   7.325  -8.117  -7.579
  148   2HH1  ARG  23          1HH1      ARG  23   6.094  -8.262  -8.788
  149   1HH2  ARG  23          2HH2      ARG  23   6.175 -11.757  -8.862
  150   2HH2  ARG  23          1HH2      ARG  23   5.441 -10.332  -9.519
  151    H    GLN  24           H        GLN  24  11.418 -11.548  -2.912
  152    HA   GLN  24           HA       GLN  24   9.542 -13.592  -2.741
  153   1HB   GLN  24          2HB       GLN  24  11.938 -14.017  -2.799
  154   1HG   GLN  24          2HG       GLN  24  12.192 -15.675  -1.040
  155   1HE2  GLN  24          1HE2      GLN  24  11.914 -16.869  -2.916
  156   2HE2  GLN  24          2HE2      GLN  24  10.378 -17.505  -3.386
  157    H    LYS  25           H        LYS  25  10.110 -10.974  -0.584
  158    HA   LYS  25           HA       LYS  25   9.143 -12.181   1.797
  159   1HB   LYS  25          2HB       LYS  25  10.486 -10.239   2.035
  160   1HG   LYS  25          2HG       LYS  25   7.656  -9.341   2.513
  161   1HD   LYS  25          2HD       LYS  25   9.320  -7.510   2.551
  162   1HE   LYS  25          2HE       LYS  25  11.282  -8.815   3.208
  163   1HZ   LYS  25          1HZ       LYS  25   9.949  -8.997   5.857
  164   2HZ   LYS  25          2HZ       LYS  25  11.548  -9.444   5.535
  165   3HZ   LYS  25          3HZ       LYS  25  10.273 -10.290   4.815
  166    H    LEU  26           H        LEU  26   7.641 -10.019  -0.597
  167    HA   LEU  26           HA       LEU  26   5.101  -9.917   0.573
  168   1HB   LEU  26          2HB       LEU  26   5.754  -9.754  -2.368
  169    HG   LEU  26           HG       LEU  26   7.129  -8.108  -1.234
  170   1HD1  LEU  26          1HD1      LEU  26   4.681  -6.840  -2.451
  171   2HD1  LEU  26          2HD1      LEU  26   6.266  -6.087  -2.273
  172   3HD1  LEU  26          3HD1      LEU  26   6.064  -7.475  -3.342
  173   1HD2  LEU  26          1HD2      LEU  26   5.906  -7.999   0.874
  174   2HD2  LEU  26          2HD2      LEU  26   6.139  -6.390   0.193
  175   3HD2  LEU  26          3HD2      LEU  26   4.569  -7.184   0.065
  176    H    LEU  27           H        LEU  27   6.526 -12.214  -1.684
  177    HA   LEU  27           HA       LEU  27   4.277 -13.604  -2.474
  178   1HB   LEU  27          2HB       LEU  27   7.024 -14.714  -1.906
  179    HG   LEU  27           HG       LEU  27   7.235 -12.984  -3.577
  180   1HD1  LEU  27          1HD1      LEU  27   7.160 -15.709  -4.866
  181   2HD1  LEU  27          2HD1      LEU  27   8.041 -14.302  -5.461
  182   3HD1  LEU  27          3HD1      LEU  27   8.499 -15.046  -3.928
  183   1HD2  LEU  27          1HD2      LEU  27   5.925 -13.037  -5.648
  184   2HD2  LEU  27          2HD2      LEU  27   4.977 -14.380  -5.011
  185   3HD2  LEU  27          3HD2      LEU  27   4.901 -12.799  -4.232
  186    H    SER  28           H        SER  28   5.874 -13.586   0.597
  187    HA   SER  28           HA       SER  28   5.147 -16.020   1.684
  188   1HB   SER  28          2HB       SER  28   5.224 -13.332   3.076
  189    HG   SER  28           HG       SER  28   7.307 -13.556   3.032
  190    H    LEU  29           H        LEU  29   3.251 -13.026   1.539
  191    HA   LEU  29           HA       LEU  29   0.923 -14.446   2.596
  192   1HB   LEU  29          2HB       LEU  29   1.411 -11.522   2.038
  193    HG   LEU  29           HG       LEU  29   1.164 -11.184   4.432
  194   1HD1  LEU  29          1HD1      LEU  29  -0.338 -13.027   4.925
  195   2HD1  LEU  29          2HD1      LEU  29   0.951 -14.186   4.597
  196   3HD1  LEU  29          3HD1      LEU  29   1.080 -13.086   5.970
  197   1HD2  LEU  29          1HD2      LEU  29   3.269 -12.025   5.139
  198   2HD2  LEU  29          2HD2      LEU  29   3.202 -13.354   3.982
  199   3HD2  LEU  29          3HD2      LEU  29   3.403 -11.697   3.411
  200    H    GLY  30           H        GLY  30   2.230 -13.236  -0.359
  201   1HA   GLY  30          1HA       GLY  30   1.386 -14.031  -2.457
  202   2HA   GLY  30          2HA       GLY  30  -0.218 -14.107  -1.741
  203    H    MET  31           H        MET  31   1.763 -11.339  -1.149
  204    HA   MET  31           HA       MET  31  -0.167  -9.649  -2.480
  205   1HB   MET  31          2HB       MET  31   2.334  -8.955  -0.934
  206   1HG   MET  31          2HG       MET  31  -0.524  -8.703  -0.044
  207   1HE   MET  31          1HE       MET  31   3.336  -8.251   2.441
  208   2HE   MET  31          2HE       MET  31   2.726  -9.795   1.847
  209   3HE   MET  31          3HE       MET  31   3.338  -8.591   0.711
  210    H    LEU  32           H        LEU  32   0.144 -10.065  -4.676
  211    HA   LEU  32           HA       LEU  32   2.777  -9.465  -5.807
  212   1HB   LEU  32          2HB       LEU  32   0.282 -10.622  -7.052
  213    HG   LEU  32           HG       LEU  32   2.943 -11.898  -6.420
  214   1HD1  LEU  32          1HD1      LEU  32   1.457 -13.543  -5.253
  215   2HD1  LEU  32          2HD1      LEU  32   1.516 -11.941  -4.519
  216   3HD1  LEU  32          3HD1      LEU  32   0.126 -12.413  -5.496
  217   1HD2  LEU  32          1HD2      LEU  32   2.236 -12.536  -8.656
  218   2HD2  LEU  32          2HD2      LEU  32   2.058 -13.888  -7.539
  219   3HD2  LEU  32          3HD2      LEU  32   0.640 -12.969  -8.044
  220    HA   PRO  33           HA       PRO  33   2.035  -5.433  -7.388
  221   1HB   PRO  33          2HB       PRO  33   2.267  -6.619 -10.124
  222   1HG   PRO  33          2HG       PRO  33   4.380  -7.494  -9.714
  223   1HD   PRO  33          2HD       PRO  33   3.186  -9.027  -8.499
  224    H    GLY  34           H        GLY  34  -0.041  -4.840  -7.068
  225   1HA   GLY  34          1HA       GLY  34  -1.999  -4.140  -8.410
  226   2HA   GLY  34          2HA       GLY  34  -2.033  -5.781  -9.037
  227    H    SER  35           H        SER  35  -1.368  -5.096  -5.679
  228    HA   SER  35           HA       SER  35  -3.819  -6.521  -4.955
  229   1HB   SER  35          2HB       SER  35  -1.729  -7.361  -3.985
  230    HG   SER  35           HG       SER  35  -2.773  -7.749  -2.215
  231    H    SER  36           H        SER  36  -4.750  -5.722  -2.744
  232    HA   SER  36           HA       SER  36  -4.998  -2.786  -2.868
  233   1HB   SER  36          2HB       SER  36  -7.350  -3.042  -2.164
  234    HG   SER  36           HG       SER  36  -8.222  -4.973  -1.814
  235    H    PHE  37           H        PHE  37  -5.077  -1.662  -0.941
  236    HA   PHE  37           HA       PHE  37  -5.163  -3.054   1.585
  237   1HB   PHE  37          2HB       PHE  37  -2.975  -2.470   2.359
  238    HD1  PHE  37           1HD      PHE  37  -1.781  -0.547   2.723
  239    HD2  PHE  37           2HD      PHE  37  -2.751  -1.642  -1.273
  240    HE1  PHE  37           1HE      PHE  37  -0.485   1.369   1.888
  241    HE2  PHE  37           2HE      PHE  37  -1.454   0.271  -2.116
  242    HZ   PHE  37           HZ       PHE  37  -0.319   1.780  -0.534
  243    H    HIS  38           H        HIS  38  -4.390  -1.258   3.350
  244    HA   HIS  38           HA       HIS  38  -5.497   1.344   2.583
  245   1HB   HIS  38          2HB       HIS  38  -7.377   0.086   3.516
  246    HD1  HIS  38           1HD      HIS  38  -6.174   1.609   6.701
  247    HD2  HIS  38           2HD      HIS  38  -8.413   2.694   3.373
  248    HE1  HIS  38           1HE      HIS  38  -7.282   3.781   7.316
  249    HE2  HIS  38           2HE      HIS  38  -8.585   4.449   5.265
  250    H    VAL  39           H        VAL  39  -4.479   3.040   3.500
  251    HA   VAL  39           HA       VAL  39  -2.038   2.646   4.859
  252    HB   VAL  39           HB       VAL  39  -3.665   5.185   4.652
  253   1HG1  VAL  39          1HG1      VAL  39  -1.997   5.335   6.400
  254   2HG1  VAL  39          2HG1      VAL  39  -0.753   4.746   5.297
  255   3HG1  VAL  39          3HG1      VAL  39  -1.509   6.315   5.019
  256   1HG2  VAL  39          1HG2      VAL  39  -1.460   4.122   2.889
  257   2HG2  VAL  39          2HG2      VAL  39  -3.165   4.264   2.457
  258   3HG2  VAL  39          3HG2      VAL  39  -2.206   5.714   2.750
  259    H    VAL  40           H        VAL  40  -1.495   2.693   6.976
  260    HA   VAL  40           HA       VAL  40  -3.691   2.647   8.900
  261    HB   VAL  40           HB       VAL  40  -0.781   1.902   9.241
  262   1HG1  VAL  40          1HG1      VAL  40  -1.482   0.926  11.379
  263   2HG1  VAL  40          2HG1      VAL  40  -1.744   2.670  11.341
  264   3HG1  VAL  40          3HG1      VAL  40  -3.106   1.569  11.136
  265   1HG2  VAL  40          1HG2      VAL  40  -2.136   0.426   7.750
  266   2HG2  VAL  40          2HG2      VAL  40  -1.517  -0.380   9.190
  267   3HG2  VAL  40          3HG2      VAL  40  -3.206   0.116   9.116
  268    H    ARG  41           H        ARG  41  -0.662   4.372   8.270
  269    HA   ARG  41           HA       ARG  41  -1.583   6.775   9.401
  270   1HB   ARG  41          2HB       ARG  41  -0.029   6.856  11.374
  271   1HG   ARG  41          2HG       ARG  41   0.062   3.872  10.985
  272   1HD   ARG  41          2HD       ARG  41   1.205   5.598  13.176
  273    HE   ARG  41           HE       ARG  41   1.824   2.931  12.439
  274   1HH1  ARG  41          2HH1      ARG  41   1.248   4.972  15.201
  275   2HH1  ARG  41          1HH1      ARG  41   2.208   4.012  16.275
  276   1HH2  ARG  41          2HH2      ARG  41   3.090   1.658  13.844
  277   2HH2  ARG  41          1HH2      ARG  41   3.256   2.125  15.502
  278    H    VAL  42           H        VAL  42  -0.505   8.317   8.396
  279    HA   VAL  42           HA       VAL  42   2.344   7.946   7.803
  280    HB   VAL  42           HB       VAL  42   0.391   9.036   5.777
  281   1HG1  VAL  42          1HG1      VAL  42   2.293   8.776   4.235
  282   2HG1  VAL  42          2HG1      VAL  42   2.637   9.906   5.545
  283   3HG1  VAL  42          3HG1      VAL  42   3.301   8.273   5.592
  284   1HG2  VAL  42          1HG2      VAL  42   0.183   6.542   6.346
  285   2HG2  VAL  42          2HG2      VAL  42   0.387   6.989   4.652
  286   3HG2  VAL  42          3HG2      VAL  42   1.761   6.379   5.573
  287    H    ALA  43           H        ALA  43   3.482   9.942   7.360
  288    HA   ALA  43           HA       ALA  43   2.142  12.286   8.545
  289   1HB   ALA  43          1HB       ALA  43   4.306  12.994   9.395
  290   2HB   ALA  43          2HB       ALA  43   3.919  11.373   9.969
  291   3HB   ALA  43          3HB       ALA  43   5.075  11.590   8.655
  292    HA   PRO  44           HA       PRO  44   3.013  14.496   4.825
  293   1HB   PRO  44          2HB       PRO  44   3.194  17.031   5.719
  294   1HG   PRO  44          2HG       PRO  44   3.549  16.637   7.981
  295   1HD   PRO  44          2HD       PRO  44   3.155  14.581   8.918
  296    H    LEU  45           H        LEU  45   5.256  14.614   7.465
  297    HA   LEU  45           HA       LEU  45   7.298  15.982   5.915
  298   1HB   LEU  45          2HB       LEU  45   7.377  14.783   8.685
  299    HG   LEU  45           HG       LEU  45   5.960  16.781   8.630
  300   1HD1  LEU  45          1HD1      LEU  45   8.668  17.262   9.865
  301   2HD1  LEU  45          2HD1      LEU  45   7.180  18.111  10.285
  302   3HD1  LEU  45          3HD1      LEU  45   7.327  16.382  10.599
  303   1HD2  LEU  45          1HD2      LEU  45   8.385  18.132   7.454
  304   2HD2  LEU  45          2HD2      LEU  45   6.855  17.832   6.631
  305   3HD2  LEU  45          3HD2      LEU  45   6.919  18.948   7.996
  306    H    GLY  46           H        GLY  46   7.329  12.935   7.779
  307   1HA   GLY  46          1HA       GLY  46   7.928  11.159   5.773
  308   2HA   GLY  46          2HA       GLY  46   9.476  11.869   6.209
  309    H    ASP  47           H        ASP  47   7.164   9.512   6.966
  310    HA   ASP  47           HA       ASP  47   8.784   8.608   9.205
  311   1HB   ASP  47          2HB       ASP  47   5.818   9.148   9.455
  312    HA   PRO  48           HA       PRO  48   7.589   4.630   7.718
  313   1HB   PRO  48          2HB       PRO  48   7.472   3.330  10.256
  314   1HG   PRO  48          2HG       PRO  48   8.715   4.619  11.655
  315   1HD   PRO  48          2HD       PRO  48   7.283   6.369  11.189
  316    H    VAL  49           H        VAL  49   5.679   4.087   6.959
  317    HA   VAL  49           HA       VAL  49   3.328   4.208   8.716
  318    HB   VAL  49           HB       VAL  49   2.990   5.642   6.881
  319   1HG1  VAL  49          1HG1      VAL  49   4.025   3.427   5.121
  320   2HG1  VAL  49          2HG1      VAL  49   3.316   4.930   4.529
  321   3HG1  VAL  49          3HG1      VAL  49   4.805   4.971   5.472
  322   1HG2  VAL  49          1HG2      VAL  49   1.628   3.012   6.301
  323   2HG2  VAL  49          2HG2      VAL  49   1.010   4.349   7.268
  324   3HG2  VAL  49          3HG2      VAL  49   1.198   4.535   5.525
  325    H    HIS  50           H        HIS  50   1.772   2.549   8.617
  326    HA   HIS  50           HA       HIS  50   2.874  -0.056   7.803
  327   1HB   HIS  50          2HB       HIS  50   0.810   0.584   9.923
  328    HD1  HIS  50           1HD      HIS  50   3.254  -1.887  10.867
  329    HD2  HIS  50           2HD      HIS  50   3.045   2.262  10.937
  330    HE1  HIS  50           1HE      HIS  50   5.030  -1.151  12.488
  331    HE2  HIS  50           2HE      HIS  50   4.946   1.365  12.445
  332    H    ILE  51           H        ILE  51   1.750  -1.335   6.429
  333    HA   ILE  51           HA       ILE  51  -0.628  -0.168   5.205
  334    HB   ILE  51           HB       ILE  51  -0.341  -1.875   3.454
  335   1HG1  ILE  51          2HG1      ILE  51   2.142  -2.653   5.000
  336   1HG2  ILE  51          1HG2      ILE  51   2.163  -0.310   4.066
  337   2HG2  ILE  51          2HG2      ILE  51   1.720  -0.975   2.494
  338   3HG2  ILE  51          3HG2      ILE  51   0.737   0.296   3.223
  339   1HD1  ILE  51          1HD1      ILE  51   2.385  -4.437   3.371
  340   2HD1  ILE  51          2HD1      ILE  51   1.009  -3.805   2.465
  341   3HD1  ILE  51          3HD1      ILE  51   2.487  -2.852   2.604
  342    H    GLU  52           H        GLU  52  -2.590  -1.218   5.028
  343    HA   GLU  52           HA       GLU  52  -2.978  -3.434   6.922
  344   1HB   GLU  52          2HB       GLU  52  -4.234  -1.364   7.403
  345   1HG   GLU  52          2HG       GLU  52  -6.062  -3.566   6.470
  346    H    THR  53           H        THR  53  -2.965  -5.332   5.922
  347    HA   THR  53           HA       THR  53  -4.346  -5.568   3.330
  348    HB   THR  53           HB       THR  53  -2.905  -7.436   2.790
  349    HG1  THR  53           1HG      THR  53  -1.638  -6.983   5.304
  350   1HG2  THR  53          1HG2      THR  53  -0.745  -6.300   2.653
  351   2HG2  THR  53          2HG2      THR  53  -1.283  -5.121   3.850
  352   3HG2  THR  53          3HG2      THR  53  -2.064  -5.194   2.271
  353    H    ARG  54           H        ARG  54  -4.612  -8.252   3.114
  354    HA   ARG  54           HA       ARG  54  -6.934  -8.861   4.427
  355   1HB   ARG  54          2HB       ARG  54  -6.001 -10.093   2.478
  356   1HG   ARG  54          2HG       ARG  54  -6.658 -12.373   3.147
  357   1HD   ARG  54          2HD       ARG  54  -8.957 -11.825   3.845
  358    HE   ARG  54           HE       ARG  54  -7.782 -10.860   1.521
  359   1HH1  ARG  54          2HH1      ARG  54 -10.546 -10.162   3.520
  360   2HH1  ARG  54          1HH1      ARG  54 -11.499  -9.547   2.212
  361   1HH2  ARG  54          2HH2      ARG  54  -9.027 -10.051  -0.208
  362   2HH2  ARG  54          1HH2      ARG  54 -10.634  -9.483   0.091
  363    H    ARG  55           H        ARG  55  -7.005  -8.491   6.596
  364    HA   ARG  55           HA       ARG  55  -6.618  -8.729   8.819
  365   1HB   ARG  55          2HB       ARG  55  -6.658 -11.031   9.604
  366   1HG   ARG  55          2HG       ARG  55  -6.239 -11.874   6.744
  367   1HD   ARG  55          2HD       ARG  55  -6.592 -13.422   9.305
  368    HE   ARG  55           HE       ARG  55  -5.097 -14.294   7.219
  369   1HH1  ARG  55          2HH1      ARG  55  -8.193 -15.219   8.517
  370   2HH1  ARG  55          1HH1      ARG  55  -8.035 -16.881   8.055
  371   1HH2  ARG  55          2HH2      ARG  55  -4.879 -16.480   6.607
  372   2HH2  ARG  55          1HH2      ARG  55  -6.150 -17.599   6.969
  373    H    VAL  56           H        VAL  56  -4.247  -8.017   7.311
  374    HA   VAL  56           HA       VAL  56  -2.277  -8.766   9.309
  375    HB   VAL  56           HB       VAL  56  -1.799  -9.320   6.375
  376   1HG1  VAL  56          1HG1      VAL  56   0.092  -9.552   8.716
  377   2HG1  VAL  56          2HG1      VAL  56   0.426 -10.083   7.067
  378   3HG1  VAL  56          3HG1      VAL  56   0.189  -8.370   7.411
  379   1HG2  VAL  56          1HG2      VAL  56  -1.480 -11.639   7.107
  380   2HG2  VAL  56          2HG2      VAL  56  -1.901 -11.173   8.755
  381   3HG2  VAL  56          3HG2      VAL  56  -3.105 -11.059   7.470
  382    H    SER  57           H        SER  57  -1.437  -6.901   9.946
  383    HA   SER  57           HA       SER  57  -1.234  -4.693   8.028
  384   1HB   SER  57          2HB       SER  57  -0.978  -3.273  10.064
  385    HG   SER  57           HG       SER  57  -0.614  -4.215  11.889
  386    H    LEU  58           H        LEU  58   0.687  -4.591   7.062
  387    HA   LEU  58           HA       LEU  58   3.089  -5.415   8.510
  388   1HB   LEU  58          2HB       LEU  58   2.658  -4.713   5.606
  389    HG   LEU  58           HG       LEU  58   1.705  -6.905   6.167
  390   1HD1  LEU  58          1HD1      LEU  58   4.293  -7.079   4.631
  391   2HD1  LEU  58          2HD1      LEU  58   2.954  -8.224   4.540
  392   3HD1  LEU  58          3HD1      LEU  58   2.736  -6.566   3.982
  393   1HD2  LEU  58          1HD2      LEU  58   3.036  -7.408   8.138
  394   2HD2  LEU  58          2HD2      LEU  58   3.170  -8.707   6.952
  395   3HD2  LEU  58          3HD2      LEU  58   4.486  -7.546   7.143
  396    H    VAL  59           H        VAL  59   5.101  -4.054   7.986
  397    HA   VAL  59           HA       VAL  59   4.414  -1.207   8.347
  398    HB   VAL  59           HB       VAL  59   5.429  -2.166  10.349
  399   1HG1  VAL  59          1HG1      VAL  59   7.761  -2.834   8.557
  400   2HG1  VAL  59          2HG1      VAL  59   7.741  -2.989  10.314
  401   3HG1  VAL  59          3HG1      VAL  59   6.671  -3.985   9.328
  402   1HG2  VAL  59          1HG2      VAL  59   7.282  -0.583  10.612
  403   2HG2  VAL  59          2HG2      VAL  59   7.300  -0.319   8.868
  404   3HG2  VAL  59          3HG2      VAL  59   5.897   0.165   9.819
  405    H    LEU  60           H        LEU  60   5.483   0.327   7.158
  406    HA   LEU  60           HA       LEU  60   7.562  -0.579   5.293
  407   1HB   LEU  60          2HB       LEU  60   5.151   1.081   4.562
  408    HG   LEU  60           HG       LEU  60   4.606  -1.305   4.556
  409   1HD1  LEU  60          1HD1      LEU  60   3.881  -1.484   2.240
  410   2HD1  LEU  60          2HD1      LEU  60   3.629   0.150   2.852
  411   3HD1  LEU  60          3HD1      LEU  60   4.988  -0.189   1.782
  412   1HD2  LEU  60          1HD2      LEU  60   6.922  -1.575   2.641
  413   2HD2  LEU  60          2HD2      LEU  60   6.883  -2.173   4.299
  414   3HD2  LEU  60          3HD2      LEU  60   5.789  -2.850   3.092
  415    H    ARG  61           H        ARG  61   9.311   0.644   5.489
  416    HA   ARG  61           HA       ARG  61   9.379   3.019   7.025
  417   1HB   ARG  61          2HB       ARG  61  11.441   2.064   5.030
  418   1HG   ARG  61          2HG       ARG  61  10.932   0.277   6.633
  419   1HD   ARG  61          2HD       ARG  61  11.701   2.350   8.682
  420    HE   ARG  61           HE       ARG  61  11.947  -0.464   8.863
  421   1HH1  ARG  61          2HH1      ARG  61  10.841   2.312  10.649
  422   2HH1  ARG  61          1HH1      ARG  61  11.136   1.595  12.198
  423   1HH2  ARG  61          2HH2      ARG  61  12.341  -1.418  10.897
  424   2HH2  ARG  61          1HH2      ARG  61  11.988  -0.526  12.338
  425    H    LYS  62           H        LYS  62  10.931   4.822   5.667
  426    HA   LYS  62           HA       LYS  62   8.968   6.079   3.969
  427   1HB   LYS  62          2HB       LYS  62  11.708   6.962   4.884
  428   1HG   LYS  62          2HG       LYS  62  10.366   8.718   6.082
  429   1HD   LYS  62          2HD       LYS  62   9.864   7.340   7.986
  430   1HE   LYS  62          2HE       LYS  62  12.164   6.049   6.535
  431   1HZ   LYS  62          1HZ       LYS  62  13.085   5.842   8.738
  432   2HZ   LYS  62          2HZ       LYS  62  11.571   5.088   8.690
  433   3HZ   LYS  62          3HZ       LYS  62  11.736   6.604   9.421
  434    H    LYS  63           H        LYS  63  12.106   4.552   3.577
  435    HA   LYS  63           HA       LYS  63  12.291   5.301   0.783
  436   1HB   LYS  63          2HB       LYS  63  14.432   4.140   0.811
  437   1HG   LYS  63          2HG       LYS  63  13.738   3.362   3.636
  438   1HD   LYS  63          2HD       LYS  63  16.063   4.077   3.465
  439   1HE   LYS  63          2HE       LYS  63  16.353   3.752   1.048
  440   1HZ   LYS  63          1HZ       LYS  63  16.440   0.862   1.726
  441   2HZ   LYS  63          2HZ       LYS  63  16.846   1.526   0.226
  442   3HZ   LYS  63          3HZ       LYS  63  15.256   1.626   0.790
  443    H    ASP  64           H        ASP  64  11.488   2.500   2.723
  444    HA   ASP  64           HA       ASP  64  11.679   0.451   0.902
  445   1HB   ASP  64          2HB       ASP  64  11.027   0.163   3.271
  446    H    LEU  65           H        LEU  65   9.464   3.109   0.916
  447    HA   LEU  65           HA       LEU  65   7.634   1.855  -0.956
  448   1HB   LEU  65          2HB       LEU  65   7.787   4.620   0.226
  449    HG   LEU  65           HG       LEU  65   5.635   2.520   0.512
  450   1HD1  LEU  65          1HD1      LEU  65   6.493   2.757   2.978
  451   2HD1  LEU  65          2HD1      LEU  65   7.275   1.650   1.847
  452   3HD1  LEU  65          3HD1      LEU  65   7.994   3.225   2.176
  453   1HD2  LEU  65          1HD2      LEU  65   5.997   5.241   1.758
  454   2HD2  LEU  65          2HD2      LEU  65   4.738   4.756   0.623
  455   3HD2  LEU  65          3HD2      LEU  65   4.777   4.064   2.244
  456    H    ALA  66           H        ALA  66  10.477   3.795  -1.086
  457    HA   ALA  66           HA       ALA  66  10.122   5.136  -3.511
  458   1HB   ALA  66          1HB       ALA  66  11.945   5.636  -1.977
  459   2HB   ALA  66          2HB       ALA  66  12.682   4.073  -2.327
  460   3HB   ALA  66          3HB       ALA  66  12.557   5.293  -3.595
  461    H    LEU  67           H        LEU  67  11.361   1.875  -2.863
  462    HA   LEU  67           HA       LEU  67  11.973   1.337  -5.604
  463   1HB   LEU  67          2HB       LEU  67  11.631  -0.526  -3.255
  464    HG   LEU  67           HG       LEU  67  13.570   0.908  -2.931
  465   1HD1  LEU  67          1HD1      LEU  67  13.742  -1.427  -2.258
  466   2HD1  LEU  67          2HD1      LEU  67  14.336  -1.854  -3.863
  467   3HD1  LEU  67          3HD1      LEU  67  15.298  -0.813  -2.815
  468   1HD2  LEU  67          1HD2      LEU  67  15.389   0.960  -4.553
  469   2HD2  LEU  67          2HD2      LEU  67  14.450  -0.047  -5.653
  470   3HD2  LEU  67          3HD2      LEU  67  13.899   1.581  -5.259
  471    H    ILE  68           H        ILE  68   9.470  -0.005  -3.436
  472    HA   ILE  68           HA       ILE  68   8.042  -1.291  -5.503
  473    HB   ILE  68           HB       ILE  68   6.216  -1.519  -3.879
  474   1HG1  ILE  68          2HG1      ILE  68   7.949   0.182  -2.072
  475   1HG2  ILE  68          1HG2      ILE  68   8.942  -2.031  -2.699
  476   2HG2  ILE  68          2HG2      ILE  68   7.440  -2.816  -2.214
  477   3HG2  ILE  68          3HG2      ILE  68   8.091  -3.080  -3.832
  478   1HD1  ILE  68          1HD1      ILE  68   6.680  -1.511  -0.843
  479   2HD1  ILE  68          2HD1      ILE  68   6.110   0.125  -0.512
  480   3HD1  ILE  68          3HD1      ILE  68   5.195  -0.926  -1.593
  481    H    GLU  69           H        GLU  69   6.244  -0.708  -6.658
  482    HA   GLU  69           HA       GLU  69   5.757   2.162  -6.855
  483   1HB   GLU  69          2HB       GLU  69   6.179   0.487  -8.824
  484   1HG   GLU  69          2HG       GLU  69   4.703   1.755 -10.340
  485    H    LEU  70           H        LEU  70   3.686   3.086  -6.737
  486    HA   LEU  70           HA       LEU  70   1.693   1.414  -5.352
  487   1HB   LEU  70          2HB       LEU  70   2.789   3.246  -4.006
  488    HG   LEU  70           HG       LEU  70  -0.193   3.556  -4.377
  489   1HD1  LEU  70          1HD1      LEU  70   1.390   1.859  -2.454
  490   2HD1  LEU  70          2HD1      LEU  70  -0.363   2.042  -2.468
  491   3HD1  LEU  70          3HD1      LEU  70   0.454   1.271  -3.828
  492   1HD2  LEU  70          1HD2      LEU  70  -0.158   4.482  -2.112
  493   2HD2  LEU  70          2HD2      LEU  70   1.602   4.380  -2.097
  494   3HD2  LEU  70          3HD2      LEU  70   0.791   5.465  -3.225
  495    H    GLU  71           H        GLU  71  -0.562   2.017  -5.676
  496    HA   GLU  71           HA       GLU  71  -1.093   3.501  -8.146
  497   1HB   GLU  71          2HB       GLU  71  -0.997   1.187  -8.841
  498   1HG   GLU  71          2HG       GLU  71  -3.247   0.773  -9.658
  499    H    ALA  72           H        ALA  72  -3.137   4.441  -8.278
  500    HA   ALA  72           HA       ALA  72  -4.435   4.831  -5.705
  501   1HB   ALA  72          1HB       ALA  72  -4.955   6.179  -8.354
  502   2HB   ALA  72          2HB       ALA  72  -5.614   6.659  -6.790
  503   3HB   ALA  72          3HB       ALA  72  -3.880   6.779  -7.090
  504    H    VAL  73           H        VAL  73  -6.871   4.959  -5.693
  505    HA   VAL  73           HA       VAL  73  -7.926   2.461  -6.628
  506    HB   VAL  73           HB       VAL  73  -9.987   3.098  -5.499
  507   1HG1  VAL  73          1HG1      VAL  73  -9.118   3.342  -3.227
  508   2HG1  VAL  73          2HG1      VAL  73  -8.170   2.179  -4.155
  509   3HG1  VAL  73          3HG1      VAL  73  -7.543   3.804  -3.875
  510   1HG2  VAL  73          1HG2      VAL  73 -10.192   5.263  -4.364
  511   2HG2  VAL  73          2HG2      VAL  73  -8.662   5.776  -5.076
  512   3HG2  VAL  73          3HG2      VAL  73 -10.052   5.451  -6.111
  513    H    ALA  74           H        ALA  74 -10.431   2.776  -7.397
  514    HA   ALA  74           HA       ALA  74 -10.313   4.526  -9.769
  515   1HB   ALA  74          1HB       ALA  74 -10.073   2.169 -10.386
  516   2HB   ALA  74          2HB       ALA  74 -11.594   1.800  -9.573
  517   3HB   ALA  74          3HB       ALA  74 -11.585   2.843 -10.995
  518    H    GLN  75           H        GLN  75 -12.627   4.795 -10.717
  519    HA   GLN  75           HA       GLN  75 -14.174   6.149  -8.770
  520   1HB   GLN  75          2HB       GLN  75 -14.972   5.320 -11.566
  521   1HG   GLN  75          2HG       GLN  75 -13.857   7.956 -10.667
  522   1HE2  GLN  75          1HE2      GLN  75 -12.502   8.004 -13.272
  523   2HE2  GLN  75          2HE2      GLN  75 -13.718   8.429 -14.423
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1   0.444  11.617  -5.299
    2   2H    MET   1          2H        MET   1   1.309  10.202  -4.963
    3   3H    MET   1          3H        MET   1   1.525  10.994  -6.440
    4    HA   MET   1           HA       MET   1   3.359  11.356  -4.863
    5   1HB   MET   1          2HB       MET   1   1.746  13.794  -5.638
    6   1HG   MET   1          2HG       MET   1   3.974  12.405  -7.109
    7   1HE   MET   1          1HE       MET   1   4.616  13.252  -9.564
    8   2HE   MET   1          2HE       MET   1   2.908  13.228 -10.001
    9   3HE   MET   1          3HE       MET   1   3.881  14.663 -10.323
   10    H    GLN   2           H        GLN   2   0.722  10.909  -3.264
   11    HA   GLN   2           HA       GLN   2   1.728  11.818  -0.784
   12   1HB   GLN   2          2HB       GLN   2   0.904  13.987  -1.605
   13   1HG   GLN   2          2HG       GLN   2  -0.725  12.816   0.625
   14   1HE2  GLN   2          1HE2      GLN   2  -0.176  15.287   2.076
   15   2HE2  GLN   2          2HE2      GLN   2  -1.302  16.453   1.478
   16    H    PHE   3           H        PHE   3   1.038  10.403   0.685
   17    HA   PHE   3           HA       PHE   3  -1.532   9.041   0.206
   18   1HB   PHE   3          2HB       PHE   3   0.962   7.862   1.445
   19    HD1  PHE   3           1HD      PHE   3  -0.987   5.870  -0.759
   20    HD2  PHE   3           2HD      PHE   3   2.161   8.732  -0.640
   21    HE1  PHE   3           1HE      PHE   3  -0.256   5.152  -2.996
   22    HE2  PHE   3           2HE      PHE   3   2.898   8.019  -2.877
   23    HZ   PHE   3           HZ       PHE   3   1.696   6.225  -4.054
   24    H    THR   4           H        THR   4  -2.912   9.926   1.615
   25    HA   THR   4           HA       THR   4  -2.011  10.389   4.374
   26    HB   THR   4           HB       THR   4  -4.098  11.740   4.608
   27    HG1  THR   4           1HG      THR   4  -4.944  12.355   2.386
   28   1HG2  THR   4          1HG2      THR   4  -1.981  12.831   4.101
   29   2HG2  THR   4          2HG2      THR   4  -3.308  13.645   3.268
   30   3HG2  THR   4          3HG2      THR   4  -2.238  12.562   2.376
   31    HA   PRO   5           HA       PRO   5  -4.521   7.096   5.891
   32   1HB   PRO   5          2HB       PRO   5  -5.177   7.969   8.352
   33   1HG   PRO   5          2HG       PRO   5  -4.767  10.244   8.079
   34   1HD   PRO   5          2HD       PRO   5  -3.500  11.041   6.333
   35    H    ASP   6           H        ASP   6  -6.281   7.277   4.416
   36    HA   ASP   6           HA       ASP   6  -8.792   7.566   5.559
   37   1HB   ASP   6          2HB       ASP   6  -9.607   9.629   4.421
   38    H    SER   7           H        SER   7  -6.890   7.877   2.615
   39    HA   SER   7           HA       SER   7  -9.056   6.644   1.069
   40   1HB   SER   7          2HB       SER   7  -6.488   7.950   0.137
   41    HG   SER   7           HG       SER   7  -7.729   9.621   0.612
   42    H    ALA   8           H        ALA   8  -8.633   4.842  -0.300
   43    HA   ALA   8           HA       ALA   8  -6.673   3.013   0.848
   44   1HB   ALA   8          1HB       ALA   8  -7.857   1.270  -0.372
   45   2HB   ALA   8          2HB       ALA   8  -8.983   2.242   0.578
   46   3HB   ALA   8          3HB       ALA   8  -8.858   2.488  -1.164
   47    H    TRP   9           H        TRP   9  -5.332   1.678  -0.550
   48    HA   TRP   9           HA       TRP   9  -4.754   2.822  -3.183
   49   1HB   TRP   9          2HB       TRP   9  -2.590   2.247  -1.151
   50    HD1  TRP   9           HD       TRP   9  -3.573   3.831   0.776
   51    HE1  TRP   9           1HE      TRP   9  -3.696   6.392   0.991
   52    HE3  TRP   9           3HE      TRP   9  -2.697   5.099  -4.101
   53    HZ2  TRP   9           2HZ      TRP   9  -3.459   8.649  -0.684
   54    HZ3  TRP   9           3HZ      TRP   9  -2.664   7.482  -4.710
   55    HH2  TRP   9           HH       TRP   9  -3.037   9.220  -3.036
   56    H    LYS  10           H        LYS  10  -2.877   1.378  -4.193
   57    HA   LYS  10           HA       LYS  10  -3.531  -1.431  -3.609
   58   1HB   LYS  10          2HB       LYS  10  -3.282  -0.070  -6.284
   59   1HG   LYS  10          2HG       LYS  10  -5.441  -1.754  -5.041
   60   1HD   LYS  10          2HD       LYS  10  -5.359  -0.546  -7.801
   61   1HE   LYS  10          2HE       LYS  10  -7.596  -0.664  -6.896
   62   1HZ   LYS  10          1HZ       LYS  10  -7.289  -2.334  -5.205
   63   2HZ   LYS  10          2HZ       LYS  10  -7.001  -3.525  -6.371
   64   3HZ   LYS  10          3HZ       LYS  10  -8.530  -2.814  -6.248
   65    H    ILE  11           H        ILE  11  -1.879  -2.866  -3.561
   66    HA   ILE  11           HA       ILE  11   0.785  -1.833  -3.359
   67    HB   ILE  11           HB       ILE  11  -0.163  -4.702  -3.326
   68   1HG1  ILE  11          2HG1      ILE  11   0.371  -2.760  -1.067
   69   1HG2  ILE  11          1HG2      ILE  11   1.975  -5.146  -2.183
   70   2HG2  ILE  11          2HG2      ILE  11   2.195  -4.556  -3.832
   71   3HG2  ILE  11          3HG2      ILE  11   2.449  -3.471  -2.466
   72   1HD1  ILE  11          1HD1      ILE  11  -0.374  -4.536   0.429
   73   2HD1  ILE  11          2HD1      ILE  11  -0.418  -5.659  -0.931
   74   3HD1  ILE  11          3HD1      ILE  11   1.118  -4.967  -0.407
   75    H    THR  12           H        THR  12   2.257  -1.679  -4.920
   76    HA   THR  12           HA       THR  12   2.101  -3.464  -7.238
   77    HB   THR  12           HB       THR  12   2.551  -0.497  -7.569
   78    HG1  THR  12           1HG      THR  12   0.168  -1.925  -8.189
   79   1HG2  THR  12          1HG2      THR  12   3.504  -1.847  -9.340
   80   2HG2  THR  12          2HG2      THR  12   2.068  -1.020  -9.943
   81   3HG2  THR  12          3HG2      THR  12   1.989  -2.731  -9.522
   82    H    GLY  13           H        GLY  13   3.850  -3.802  -5.185
   83   1HA   GLY  13          1HA       GLY  13   6.291  -2.468  -5.295
   84   2HA   GLY  13          2HA       GLY  13   6.083  -4.131  -4.770
   85    H    PHE  14           H        PHE  14   6.774  -2.042  -7.498
   86    HA   PHE  14           HA       PHE  14   8.197  -4.254  -8.770
   87   1HB   PHE  14          2HB       PHE  14   6.021  -4.274  -9.860
   88    HD1  PHE  14           1HD      PHE  14   7.613  -5.835 -10.999
   89    HD2  PHE  14           2HD      PHE  14   7.245  -1.737 -12.088
   90    HE1  PHE  14           1HE      PHE  14   8.686  -6.315 -13.161
   91    HE2  PHE  14           2HE      PHE  14   8.318  -2.211 -14.251
   92    HZ   PHE  14           HZ       PHE  14   9.038  -4.504 -14.789
   93    H    SER  15           H        SER  15  10.158  -3.302  -8.354
   94    HA   SER  15           HA       SER  15  10.599  -0.560  -9.276
   95   1HB   SER  15          2HB       SER  15  12.494  -2.367  -7.759
   96    HG   SER  15           HG       SER  15  10.944  -2.001  -6.305
   97    H    ARG  16           H        ARG  16  13.137  -0.445  -9.996
   98    HA   ARG  16           HA       ARG  16  13.165  -1.855 -12.527
   99   1HB   ARG  16          2HB       ARG  16  14.929   0.288 -11.347
  100   1HG   ARG  16          2HG       ARG  16  14.097   1.680 -13.140
  101   1HD   ARG  16          2HD       ARG  16  11.759   0.375 -11.761
  102    HE   ARG  16           HE       ARG  16  11.877   2.649 -13.379
  103   1HH1  ARG  16          2HH1      ARG  16  10.696   1.688 -10.247
  104   2HH1  ARG  16          1HH1      ARG  16   9.410   2.849 -10.233
  105   1HH2  ARG  16          2HH2      ARG  16  10.193   4.183 -13.370
  106   2HH2  ARG  16          1HH2      ARG  16   9.126   4.270 -12.008
  107    H    ASP  17           H        ASP  17  14.794  -1.946  -9.457
  108    HA   ASP  17           HA       ASP  17  16.225  -4.345 -10.327
  109   1HB   ASP  17          2HB       ASP  17  17.816  -2.468 -10.534
  110    H    ILE  18           H        ILE  18  13.866  -3.852  -8.667
  111    HA   ILE  18           HA       ILE  18  14.117  -3.874  -5.975
  112    HB   ILE  18           HB       ILE  18  11.959  -4.104  -7.040
  113   1HG1  ILE  18          2HG1      ILE  18  12.582  -6.439  -5.217
  114   1HG2  ILE  18          1HG2      ILE  18  11.214  -6.228  -8.006
  115   2HG2  ILE  18          2HG2      ILE  18  12.594  -5.560  -8.876
  116   3HG2  ILE  18          3HG2      ILE  18  12.823  -6.902  -7.754
  117   1HD1  ILE  18          1HD1      ILE  18  10.261  -6.432  -4.579
  118   2HD1  ILE  18          2HD1      ILE  18   9.917  -5.146  -5.739
  119   3HD1  ILE  18          3HD1      ILE  18  10.408  -6.741  -6.310
  120    H    SER  19           H        SER  19  14.477  -5.395  -4.335
  121    HA   SER  19           HA       SER  19  16.154  -7.670  -5.150
  122   1HB   SER  19          2HB       SER  19  16.047  -6.198  -2.506
  123    HG   SER  19           HG       SER  19  17.072  -5.132  -4.362
  124    HA   PRO  20           HA       PRO  20  13.296 -10.645  -3.611
  125   1HB   PRO  20          2HB       PRO  20  14.937 -12.401  -2.304
  126   1HG   PRO  20          2HG       PRO  20  16.887 -11.146  -2.310
  127   1HD   PRO  20          2HD       PRO  20  17.161  -9.307  -3.689
  128    H    ALA  21           H        ALA  21  15.580  -9.249  -1.340
  129    HA   ALA  21           HA       ALA  21  14.694 -10.158   1.083
  130   1HB   ALA  21          1HB       ALA  21  16.587  -8.622   0.797
  131   2HB   ALA  21          2HB       ALA  21  15.462  -7.308   0.457
  132   3HB   ALA  21          3HB       ALA  21  15.475  -8.067   2.049
  133    H    TYR  22           H        TYR  22  13.328  -7.482  -0.805
  134    HA   TYR  22           HA       TYR  22  11.123  -7.188   1.056
  135   1HB   TYR  22          2HB       TYR  22  11.648  -5.796  -1.578
  136    HD1  TYR  22           1HD      TYR  22  14.030  -5.414  -1.047
  137    HD2  TYR  22           2HD      TYR  22  10.926  -4.091   1.543
  138    HE1  TYR  22           1HE      TYR  22  15.621  -3.921   0.087
  139    HE2  TYR  22           2HE      TYR  22  12.507  -2.592   2.682
  140    HH   TYR  22           HH       TYR  22  15.580  -1.869   1.438
  141    H    ARG  23           H        ARG  23  11.623  -8.172  -2.309
  142    HA   ARG  23           HA       ARG  23   8.983  -8.671  -3.023
  143   1HB   ARG  23          2HB       ARG  23  10.866  -8.635  -4.611
  144   1HG   ARG  23          2HG       ARG  23  10.311 -10.610  -5.978
  145   1HD   ARG  23          2HD       ARG  23   7.913  -9.266  -4.737
  146    HE   ARG  23           HE       ARG  23   7.792 -11.233  -6.575
  147   1HH1  ARG  23          2HH1      ARG  23   7.242  -7.798  -6.753
  148   2HH1  ARG  23          1HH1      ARG  23   6.058  -7.921  -8.012
  149   1HH2  ARG  23          2HH2      ARG  23   6.234 -11.407  -8.233
  150   2HH2  ARG  23          1HH2      ARG  23   5.484  -9.974  -8.852
  151    H    GLN  24           H        GLN  24  11.394 -11.071  -1.918
  152    HA   GLN  24           HA       GLN  24   9.875 -13.322  -1.814
  153   1HB   GLN  24          2HB       GLN  24  11.911 -12.394   0.211
  154   1HG   GLN  24          2HG       GLN  24  12.763 -12.636  -2.089
  155   1HE2  GLN  24          1HE2      GLN  24  12.952 -15.958  -1.097
  156   2HE2  GLN  24          2HE2      GLN  24  12.219 -16.633  -2.508
  157    H    LYS  25           H        LYS  25   9.616 -10.567   0.301
  158    HA   LYS  25           HA       LYS  25   8.164 -11.788   2.393
  159   1HB   LYS  25          2HB       LYS  25   8.045  -8.912   1.471
  160   1HG   LYS  25          2HG       LYS  25  10.349  -9.560   1.965
  161   1HD   LYS  25          2HD       LYS  25   9.930 -11.422   3.480
  162   1HE   LYS  25          2HE       LYS  25   8.982  -9.286   5.384
  163   1HZ   LYS  25          1HZ       LYS  25   8.653 -11.132   6.922
  164   2HZ   LYS  25          2HZ       LYS  25  10.291 -10.931   6.546
  165   3HZ   LYS  25          3HZ       LYS  25   9.409 -12.189   5.838
  166    H    LEU  26           H        LEU  26   7.158 -10.211  -0.607
  167    HA   LEU  26           HA       LEU  26   4.367 -10.358  -0.039
  168   1HB   LEU  26          2HB       LEU  26   5.935  -9.849  -2.555
  169    HG   LEU  26           HG       LEU  26   4.965  -7.615  -2.476
  170   1HD1  LEU  26          1HD1      LEU  26   3.690  -6.866  -0.529
  171   2HD1  LEU  26          2HD1      LEU  26   2.856  -8.159  -1.390
  172   3HD1  LEU  26          3HD1      LEU  26   3.707  -8.507   0.115
  173   1HD2  LEU  26          1HD2      LEU  26   7.107  -8.014  -1.351
  174   2HD2  LEU  26          2HD2      LEU  26   6.172  -6.748  -0.553
  175   3HD2  LEU  26          3HD2      LEU  26   6.248  -8.363   0.150
  176    H    LEU  27           H        LEU  27   6.447 -12.170  -2.300
  177    HA   LEU  27           HA       LEU  27   4.589 -13.946  -3.267
  178   1HB   LEU  27          2HB       LEU  27   7.474 -14.547  -2.625
  179    HG   LEU  27           HG       LEU  27   7.432 -12.630  -4.093
  180   1HD1  LEU  27          1HD1      LEU  27   7.955 -15.165  -5.641
  181   2HD1  LEU  27          2HD1      LEU  27   8.564 -13.560  -6.046
  182   3HD1  LEU  27          3HD1      LEU  27   9.091 -14.354  -4.563
  183   1HD2  LEU  27          1HD2      LEU  27   5.561 -14.254  -5.814
  184   2HD2  LEU  27          2HD2      LEU  27   5.145 -12.808  -4.894
  185   3HD2  LEU  27          3HD2      LEU  27   6.267 -12.699  -6.251
  186    H    SER  28           H        SER  28   6.130 -13.905  -0.145
  187    HA   SER  28           HA       SER  28   5.391 -16.589   0.553
  188   1HB   SER  28          2HB       SER  28   6.313 -14.289   2.294
  189    HG   SER  28           HG       SER  28   8.259 -15.717   2.253
  190    H    LEU  29           H        LEU  29   3.942 -13.434   0.816
  191    HA   LEU  29           HA       LEU  29   1.864 -14.405   2.616
  192   1HB   LEU  29          2HB       LEU  29   2.280 -11.674   1.398
  193    HG   LEU  29           HG       LEU  29   4.040 -12.139   3.030
  194   1HD1  LEU  29          1HD1      LEU  29   1.900 -10.309   4.108
  195   2HD1  LEU  29          2HD1      LEU  29   3.606 -10.282   4.554
  196   3HD1  LEU  29          3HD1      LEU  29   3.120  -9.884   2.906
  197   1HD2  LEU  29          1HD2      LEU  29   2.934 -13.898   4.294
  198   2HD2  LEU  29          2HD2      LEU  29   3.473 -12.605   5.366
  199   3HD2  LEU  29          3HD2      LEU  29   1.769 -12.734   4.924
  200    H    GLY  30           H        GLY  30   2.378 -13.749  -0.749
  201   1HA   GLY  30          1HA       GLY  30   1.005 -14.649  -2.451
  202   2HA   GLY  30          2HA       GLY  30  -0.320 -14.738  -1.302
  203    H    MET  31           H        MET  31   1.517 -11.804  -1.523
  204    HA   MET  31           HA       MET  31  -0.788 -10.527  -2.829
  205   1HB   MET  31          2HB       MET  31   1.269  -9.412  -0.917
  206   1HG   MET  31          2HG       MET  31  -0.711  -8.785   0.416
  207   1HE   MET  31          1HE       MET  31  -1.669 -10.133   2.440
  208   2HE   MET  31          2HE       MET  31  -2.714 -11.073   1.374
  209   3HE   MET  31          3HE       MET  31  -1.684 -11.894   2.547
  210    H    LEU  32           H        LEU  32  -0.152 -10.842  -4.955
  211    HA   LEU  32           HA       LEU  32   2.464  -9.974  -5.836
  212   1HB   LEU  32          2HB       LEU  32   0.074 -11.111  -7.273
  213    HG   LEU  32           HG       LEU  32   2.865 -12.218  -6.944
  214   1HD1  LEU  32          1HD1      LEU  32   0.243 -13.073  -5.732
  215   2HD1  LEU  32          2HD1      LEU  32   1.749 -13.987  -5.642
  216   3HD1  LEU  32          3HD1      LEU  32   1.631 -12.404  -4.877
  217   1HD2  LEU  32          1HD2      LEU  32   1.989 -14.188  -8.075
  218   2HD2  LEU  32          2HD2      LEU  32   0.430 -13.391  -8.282
  219   3HD2  LEU  32          3HD2      LEU  32   1.858 -12.764  -9.106
  220    HA   PRO  33           HA       PRO  33   1.862  -5.822  -7.127
  221   1HB   PRO  33          2HB       PRO  33   2.103  -6.779  -9.953
  222   1HG   PRO  33          2HG       PRO  33   4.192  -7.729  -9.589
  223   1HD   PRO  33          2HD       PRO  33   2.957  -9.334  -8.518
  224    H    GLY  34           H        GLY  34  -0.089  -4.921  -7.008
  225   1HA   GLY  34          1HA       GLY  34  -1.999  -4.143  -8.333
  226   2HA   GLY  34          2HA       GLY  34  -2.146  -5.786  -8.944
  227    H    SER  35           H        SER  35  -1.397  -5.343  -5.601
  228    HA   SER  35           HA       SER  35  -4.012  -6.444  -4.901
  229   1HB   SER  35          2HB       SER  35  -1.992  -7.546  -3.991
  230    HG   SER  35           HG       SER  35  -3.724  -7.766  -2.658
  231    H    SER  36           H        SER  36  -4.829  -5.609  -2.649
  232    HA   SER  36           HA       SER  36  -4.785  -2.664  -2.747
  233   1HB   SER  36          2HB       SER  36  -6.957  -3.547  -3.437
  234    HG   SER  36           HG       SER  36  -7.287  -1.718  -2.320
  235    H    PHE  37           H        PHE  37  -5.158  -1.558  -0.704
  236    HA   PHE  37           HA       PHE  37  -5.016  -2.930   1.780
  237   1HB   PHE  37          2HB       PHE  37  -2.789  -2.366   2.479
  238    HD1  PHE  37           1HD      PHE  37  -1.870  -0.238   2.732
  239    HD2  PHE  37           2HD      PHE  37  -2.337  -1.879  -1.166
  240    HE1  PHE  37           1HE      PHE  37  -0.551   1.616   1.798
  241    HE2  PHE  37           2HE      PHE  37  -1.016  -0.029  -2.105
  242    HZ   PHE  37           HZ       PHE  37  -0.122   1.721  -0.624
  243    H    HIS  38           H        HIS  38  -4.611  -1.341   3.613
  244    HA   HIS  38           HA       HIS  38  -5.612   1.323   2.849
  245   1HB   HIS  38          2HB       HIS  38  -6.310  -0.355   5.263
  246    HD1  HIS  38           1HD      HIS  38  -7.836  -2.023   4.170
  247    HD2  HIS  38           2HD      HIS  38  -8.606   1.879   2.970
  248    HE1  HIS  38           1HE      HIS  38  -9.962  -2.138   2.831
  249    HE2  HIS  38           2HE      HIS  38 -10.463   0.251   2.207
  250    H    VAL  39           H        VAL  39  -4.929   3.102   4.123
  251    HA   VAL  39           HA       VAL  39  -2.239   2.768   5.167
  252    HB   VAL  39           HB       VAL  39  -3.858   5.301   4.858
  253   1HG1  VAL  39          1HG1      VAL  39  -2.033   5.496   6.463
  254   2HG1  VAL  39          2HG1      VAL  39  -0.900   4.873   5.265
  255   3HG1  VAL  39          3HG1      VAL  39  -1.692   6.426   5.004
  256   1HG2  VAL  39          1HG2      VAL  39  -3.562   4.240   2.701
  257   2HG2  VAL  39          2HG2      VAL  39  -2.519   5.658   2.817
  258   3HG2  VAL  39          3HG2      VAL  39  -1.835   4.043   3.004
  259    H    VAL  40           H        VAL  40  -1.638   2.964   7.264
  260    HA   VAL  40           HA       VAL  40  -3.800   3.193   9.232
  261    HB   VAL  40           HB       VAL  40  -0.978   2.178   9.600
  262   1HG1  VAL  40          1HG1      VAL  40  -3.343   2.144  11.470
  263   2HG1  VAL  40          2HG1      VAL  40  -1.797   1.350  11.763
  264   3HG1  VAL  40          3HG1      VAL  40  -1.879   3.109  11.655
  265   1HG2  VAL  40          1HG2      VAL  40  -3.585   0.680   9.367
  266   2HG2  VAL  40          2HG2      VAL  40  -2.296   0.715   8.167
  267   3HG2  VAL  40          3HG2      VAL  40  -2.018  -0.036   9.738
  268    H    ARG  41           H        ARG  41  -0.625   4.527   8.430
  269    HA   ARG  41           HA       ARG  41  -1.254   7.056   9.550
  270   1HB   ARG  41          2HB       ARG  41   0.451   7.068  11.348
  271   1HG   ARG  41          2HG       ARG  41   0.513   4.079  10.980
  272   1HD   ARG  41          2HD       ARG  41   2.183   4.136  12.757
  273    HE   ARG  41           HE       ARG  41  -0.490   4.481  13.246
  274   1HH1  ARG  41          2HH1      ARG  41   2.473   5.342  14.858
  275   2HH1  ARG  41          1HH1      ARG  41   1.786   5.262  16.446
  276   1HH2  ARG  41          2HH2      ARG  41  -1.406   4.371  15.334
  277   2HH2  ARG  41          1HH2      ARG  41  -0.419   4.704  16.717
  278    H    VAL  42           H        VAL  42  -0.151   8.508   8.407
  279    HA   VAL  42           HA       VAL  42   2.536   7.829   7.444
  280    HB   VAL  42           HB       VAL  42   0.370   9.001   5.692
  281   1HG1  VAL  42          1HG1      VAL  42   3.253   8.329   5.134
  282   2HG1  VAL  42          2HG1      VAL  42   2.064   8.733   3.897
  283   3HG1  VAL  42          3HG1      VAL  42   2.509   9.929   5.113
  284   1HG2  VAL  42          1HG2      VAL  42   1.749   6.345   5.396
  285   2HG2  VAL  42          2HG2      VAL  42   0.198   6.542   6.214
  286   3HG2  VAL  42          3HG2      VAL  42   0.351   6.947   4.504
  287    H    ALA  43           H        ALA  43   3.793   9.690   6.760
  288    HA   ALA  43           HA       ALA  43   2.814  12.296   7.631
  289   1HB   ALA  43          1HB       ALA  43   5.340  11.072   8.727
  290   2HB   ALA  43          2HB       ALA  43   4.768  12.712   9.029
  291   3HB   ALA  43          3HB       ALA  43   3.844  11.333   9.622
  292    HA   PRO  44           HA       PRO  44   4.703  13.105   3.585
  293   1HB   PRO  44          2HB       PRO  44   4.458  15.831   4.798
  294   1HG   PRO  44          2HG       PRO  44   2.141  15.672   4.943
  295   1HD   PRO  44          2HD       PRO  44   2.624  14.285   6.698
  296    H    LEU  45           H        LEU  45   5.752  14.459   6.669
  297    HA   LEU  45           HA       LEU  45   8.191  15.545   5.927
  298   1HB   LEU  45          2HB       LEU  45   7.432  14.149   8.491
  299    HG   LEU  45           HG       LEU  45   6.082  16.167   8.064
  300   1HD1  LEU  45          1HD1      LEU  45   8.159  16.478  10.225
  301   2HD1  LEU  45          2HD1      LEU  45   6.621  17.337  10.150
  302   3HD1  LEU  45          3HD1      LEU  45   6.642  15.585  10.350
  303   1HD2  LEU  45          1HD2      LEU  45   7.632  17.360   6.619
  304   2HD2  LEU  45          2HD2      LEU  45   7.179  18.360   7.999
  305   3HD2  LEU  45          3HD2      LEU  45   8.752  17.564   7.964
  306    H    GLY  46           H        GLY  46   7.259  12.219   6.258
  307   1HA   GLY  46          1HA       GLY  46   8.571  10.580   5.022
  308   2HA   GLY  46          2HA       GLY  46  10.017  11.435   5.546
  309    H    ASP  47           H        ASP  47   7.495   9.217   6.465
  310    HA   ASP  47           HA       ASP  47   9.172   8.272   8.658
  311   1HB   ASP  47          2HB       ASP  47   6.246   8.968   8.998
  312    HA   PRO  48           HA       PRO  48   7.631   4.323   7.417
  313   1HB   PRO  48          2HB       PRO  48   7.485   3.162  10.019
  314   1HG   PRO  48          2HG       PRO  48   8.855   4.422  11.323
  315   1HD   PRO  48          2HD       PRO  48   7.538   6.246  10.799
  316    H    VAL  49           H        VAL  49   5.673   3.835   6.744
  317    HA   VAL  49           HA       VAL  49   3.386   4.229   8.544
  318    HB   VAL  49           HB       VAL  49   3.046   5.560   6.645
  319   1HG1  VAL  49          1HG1      VAL  49   4.832   4.745   5.264
  320   2HG1  VAL  49          2HG1      VAL  49   3.970   3.231   4.974
  321   3HG1  VAL  49          3HG1      VAL  49   3.335   4.746   4.331
  322   1HG2  VAL  49          1HG2      VAL  49   1.599   2.960   6.135
  323   2HG2  VAL  49          2HG2      VAL  49   1.041   4.303   7.132
  324   3HG2  VAL  49          3HG2      VAL  49   1.190   4.499   5.386
  325    H    HIS  50           H        HIS  50   1.625   2.692   8.398
  326    HA   HIS  50           HA       HIS  50   2.586  -0.040   7.846
  327   1HB   HIS  50          2HB       HIS  50   0.602   0.908   9.925
  328    HD1  HIS  50           1HD      HIS  50   2.359  -1.572  11.500
  329    HD2  HIS  50           2HD      HIS  50   3.451   2.255  10.308
  330    HE1  HIS  50           1HE      HIS  50   4.331  -0.959  12.935
  331    HE2  HIS  50           2HE      HIS  50   4.908   1.401  12.267
  332    H    ILE  51           H        ILE  51   1.449  -1.262   6.460
  333    HA   ILE  51           HA       ILE  51  -1.017  -0.118   5.358
  334    HB   ILE  51           HB       ILE  51  -0.681  -1.610   3.445
  335   1HG1  ILE  51          2HG1      ILE  51   1.849  -2.430   4.890
  336   1HG2  ILE  51          1HG2      ILE  51   0.276   0.615   3.365
  337   2HG2  ILE  51          2HG2      ILE  51   1.745   0.035   4.151
  338   3HG2  ILE  51          3HG2      ILE  51   1.330  -0.528   2.533
  339   1HD1  ILE  51          1HD1      ILE  51   2.280  -2.271   2.511
  340   2HD1  ILE  51          2HD1      ILE  51   2.226  -3.956   3.028
  341   3HD1  ILE  51          3HD1      ILE  51   0.853  -3.251   2.175
  342    H    GLU  52           H        GLU  52  -2.918  -1.255   5.272
  343    HA   GLU  52           HA       GLU  52  -3.001  -3.689   6.917
  344   1HB   GLU  52          2HB       GLU  52  -4.314  -1.686   7.670
  345   1HG   GLU  52          2HG       GLU  52  -6.414  -2.835   8.119
  346    H    THR  53           H        THR  53  -2.958  -5.452   5.686
  347    HA   THR  53           HA       THR  53  -4.505  -5.467   3.181
  348    HB   THR  53           HB       THR  53  -3.109  -7.285   2.419
  349    HG1  THR  53           1HG      THR  53  -2.342  -8.521   3.960
  350   1HG2  THR  53          1HG2      THR  53  -2.236  -5.019   2.097
  351   2HG2  THR  53          2HG2      THR  53  -0.929  -6.178   2.336
  352   3HG2  THR  53          3HG2      THR  53  -1.414  -5.110   3.654
  353    H    ARG  54           H        ARG  54  -4.802  -8.143   2.760
  354    HA   ARG  54           HA       ARG  54  -7.084  -8.788   4.199
  355   1HB   ARG  54          2HB       ARG  54  -5.231 -10.744   2.837
  356   1HG   ARG  54          2HG       ARG  54  -5.791  -8.955   1.283
  357   1HD   ARG  54          2HD       ARG  54  -8.656  -9.662   1.908
  358    HE   ARG  54           HE       ARG  54  -7.639  -8.516  -0.421
  359   1HH1  ARG  54          2HH1      ARG  54 -10.022  -7.825   2.024
  360   2HH1  ARG  54          1HH1      ARG  54 -11.044  -6.921   0.956
  361   1HH2  ARG  54          2HH2      ARG  54  -8.978  -7.326  -1.835
  362   2HH2  ARG  54          1HH2      ARG  54 -10.451  -6.639  -1.237
  363    H    ARG  55           H        ARG  55  -6.909  -8.740   6.395
  364    HA   ARG  55           HA       ARG  55  -6.399  -9.394   8.502
  365   1HB   ARG  55          2HB       ARG  55  -5.962 -12.023   7.079
  366   1HG   ARG  55          2HG       ARG  55  -8.373 -10.964   8.538
  367   1HD   ARG  55          2HD       ARG  55  -7.918 -13.594   7.135
  368    HE   ARG  55           HE       ARG  55 -10.333 -12.334   7.587
  369   1HH1  ARG  55          2HH1      ARG  55  -8.811 -15.334   8.492
  370   2HH1  ARG  55          1HH1      ARG  55 -10.304 -16.206   8.600
  371   1HH2  ARG  55          2HH2      ARG  55 -12.301 -13.473   7.727
  372   2HH2  ARG  55          1HH2      ARG  55 -12.288 -15.148   8.167
  373    H    VAL  56           H        VAL  56  -4.191  -8.318   6.898
  374    HA   VAL  56           HA       VAL  56  -2.036  -9.211   8.626
  375    HB   VAL  56           HB       VAL  56  -1.729  -9.313   5.622
  376   1HG1  VAL  56          1HG1      VAL  56   0.257  -9.893   7.818
  377   2HG1  VAL  56          2HG1      VAL  56   0.529 -10.133   6.092
  378   3HG1  VAL  56          3HG1      VAL  56   0.287  -8.506   6.728
  379   1HG2  VAL  56          1HG2      VAL  56  -1.364 -11.715   5.958
  380   2HG2  VAL  56          2HG2      VAL  56  -1.716 -11.524   7.675
  381   3HG2  VAL  56          3HG2      VAL  56  -2.975 -11.222   6.478
  382    H    SER  57           H        SER  57  -1.346  -7.373   9.478
  383    HA   SER  57           HA       SER  57  -1.355  -4.931   7.867
  384   1HB   SER  57          2HB       SER  57  -2.420  -4.811  10.078
  385    HG   SER  57           HG       SER  57  -0.381  -3.297  10.836
  386    H    LEU  58           H        LEU  58   0.442  -4.598   6.738
  387    HA   LEU  58           HA       LEU  58   3.015  -5.471   7.833
  388   1HB   LEU  58          2HB       LEU  58   2.291  -4.537   5.055
  389    HG   LEU  58           HG       LEU  58   1.359  -6.790   5.615
  390   1HD1  LEU  58          1HD1      LEU  58   2.289  -7.903   3.635
  391   2HD1  LEU  58          2HD1      LEU  58   1.903  -6.210   3.324
  392   3HD1  LEU  58          3HD1      LEU  58   3.578  -6.701   3.576
  393   1HD2  LEU  58          1HD2      LEU  58   4.271  -7.519   5.909
  394   2HD2  LEU  58          2HD2      LEU  58   3.078  -7.475   7.208
  395   3HD2  LEU  58          3HD2      LEU  58   2.915  -8.647   5.899
  396    H    VAL  59           H        VAL  59   4.898  -4.035   7.472
  397    HA   VAL  59           HA       VAL  59   4.159  -1.195   7.762
  398    HB   VAL  59           HB       VAL  59   4.939  -2.136   9.898
  399   1HG1  VAL  59          1HG1      VAL  59   6.386  -3.895   9.028
  400   2HG1  VAL  59          2HG1      VAL  59   7.504  -2.682   8.406
  401   3HG1  VAL  59          3HG1      VAL  59   7.270  -2.852  10.145
  402   1HG2  VAL  59          1HG2      VAL  59   6.867  -0.200   8.619
  403   2HG2  VAL  59          2HG2      VAL  59   5.349   0.212   9.417
  404   3HG2  VAL  59          3HG2      VAL  59   6.682  -0.465  10.353
  405    H    LEU  60           H        LEU  60   5.294   0.278   6.595
  406    HA   LEU  60           HA       LEU  60   7.547  -0.716   4.984
  407   1HB   LEU  60          2HB       LEU  60   5.337   1.124   4.068
  408    HG   LEU  60           HG       LEU  60   4.586  -1.200   4.013
  409   1HD1  LEU  60          1HD1      LEU  60   4.120  -1.368   1.603
  410   2HD1  LEU  60          2HD1      LEU  60   3.852   0.259   2.227
  411   3HD1  LEU  60          3HD1      LEU  60   5.308  -0.100   1.300
  412   1HD2  LEU  60          1HD2      LEU  60   5.764  -2.840   2.602
  413   2HD2  LEU  60          2HD2      LEU  60   7.077  -1.682   2.383
  414   3HD2  LEU  60          3HD2      LEU  60   6.727  -2.325   3.987
  415    H    ARG  61           H        ARG  61   9.303   0.579   4.861
  416    HA   ARG  61           HA       ARG  61   9.351   2.912   6.574
  417   1HB   ARG  61          2HB       ARG  61  11.540   1.555   4.991
  418   1HG   ARG  61          2HG       ARG  61  10.966   1.524   7.947
  419   1HD   ARG  61          2HD       ARG  61  13.129   0.164   6.345
  420    HE   ARG  61           HE       ARG  61  12.122  -0.528   8.859
  421   1HH1  ARG  61          2HH1      ARG  61  15.171   0.169   7.328
  422   2HH1  ARG  61          1HH1      ARG  61  16.086  -0.839   8.397
  423   1HH2  ARG  61          2HH2      ARG  61  13.317  -1.857  10.273
  424   2HH2  ARG  61          1HH2      ARG  61  15.032  -1.990  10.073
  425    H    LYS  62           H        LYS  62  10.032   4.983   5.920
  426    HA   LYS  62           HA       LYS  62   8.827   6.105   3.750
  427   1HB   LYS  62          2HB       LYS  62  10.233   8.034   4.074
  428   1HG   LYS  62          2HG       LYS  62  12.175   6.062   5.073
  429   1HD   LYS  62          2HD       LYS  62  13.283   7.806   6.472
  430   1HE   LYS  62          2HE       LYS  62  10.561   6.897   7.400
  431   1HZ   LYS  62          1HZ       LYS  62  11.547   7.041   9.613
  432   2HZ   LYS  62          2HZ       LYS  62  11.478   8.560   8.871
  433   3HZ   LYS  62          3HZ       LYS  62  12.949   7.728   8.959
  434    H    LYS  63           H        LYS  63  11.893   4.449   3.827
  435    HA   LYS  63           HA       LYS  63  12.659   5.321   1.182
  436   1HB   LYS  63          2HB       LYS  63  14.572   3.777   1.487
  437   1HG   LYS  63          2HG       LYS  63  13.329   3.211   4.171
  438   1HD   LYS  63          2HD       LYS  63  15.830   3.597   4.130
  439   1HE   LYS  63          2HE       LYS  63  16.216   2.556   1.917
  440   1HZ   LYS  63          1HZ       LYS  63  16.336   0.134   1.817
  441   2HZ   LYS  63          2HZ       LYS  63  14.754   0.657   2.105
  442   3HZ   LYS  63          3HZ       LYS  63  15.676   0.023   3.372
  443    H    ASP  64           H        ASP  64  11.349   2.407   2.681
  444    HA   ASP  64           HA       ASP  64  11.560   0.672   0.508
  445   1HB   ASP  64          2HB       ASP  64  10.942  -0.098   2.743
  446    H    LEU  65           H        LEU  65   9.314   3.259   1.141
  447    HA   LEU  65           HA       LEU  65   7.405   2.457  -0.843
  448   1HB   LEU  65          2HB       LEU  65   7.813   4.987   0.731
  449    HG   LEU  65           HG       LEU  65   5.648   2.886   0.773
  450   1HD1  LEU  65          1HD1      LEU  65   6.253   2.671   3.113
  451   2HD1  LEU  65          2HD1      LEU  65   7.658   2.388   2.086
  452   3HD1  LEU  65          3HD1      LEU  65   7.478   3.925   2.931
  453   1HD2  LEU  65          1HD2      LEU  65   4.495   4.293   2.396
  454   2HD2  LEU  65          2HD2      LEU  65   5.704   5.557   2.171
  455   3HD2  LEU  65          3HD2      LEU  65   4.637   5.109   0.841
  456    H    ALA  66           H        ALA  66  10.391   4.152  -0.891
  457    HA   ALA  66           HA       ALA  66   9.924   5.716  -3.226
  458   1HB   ALA  66          1HB       ALA  66  11.671   6.251  -1.574
  459   2HB   ALA  66          2HB       ALA  66  12.556   4.807  -2.064
  460   3HB   ALA  66          3HB       ALA  66  12.310   6.125  -3.212
  461    H    LEU  67           H        LEU  67  10.681   2.395  -2.698
  462    HA   LEU  67           HA       LEU  67  11.595   2.048  -5.458
  463   1HB   LEU  67          2HB       LEU  67  11.502   0.111  -3.145
  464    HG   LEU  67           HG       LEU  67  13.324   1.829  -3.011
  465   1HD1  LEU  67          1HD1      LEU  67  15.119   0.202  -2.643
  466   2HD1  LEU  67          2HD1      LEU  67  13.585  -0.355  -1.976
  467   3HD1  LEU  67          3HD1      LEU  67  14.179  -1.022  -3.497
  468   1HD2  LEU  67          1HD2      LEU  67  15.152   1.710  -4.613
  469   2HD2  LEU  67          2HD2      LEU  67  14.276   0.492  -5.541
  470   3HD2  LEU  67          3HD2      LEU  67  13.644   2.134  -5.423
  471    H    ILE  68           H        ILE  68   9.217   0.582  -3.235
  472    HA   ILE  68           HA       ILE  68   7.871  -0.884  -5.239
  473    HB   ILE  68           HB       ILE  68   6.104  -1.227  -3.617
  474   1HG1  ILE  68          2HG1      ILE  68   7.520   0.843  -1.922
  475   1HG2  ILE  68          1HG2      ILE  68   8.833  -1.268  -2.334
  476   2HG2  ILE  68          2HG2      ILE  68   7.427  -2.177  -1.784
  477   3HG2  ILE  68          3HG2      ILE  68   8.142  -2.528  -3.357
  478   1HD1  ILE  68          1HD1      ILE  68   6.480  -0.833  -0.529
  479   2HD1  ILE  68          2HD1      ILE  68   5.575   0.678  -0.454
  480   3HD1  ILE  68          3HD1      ILE  68   4.968  -0.664  -1.422
  481    H    GLU  69           H        GLU  69   5.806  -0.523  -6.180
  482    HA   GLU  69           HA       GLU  69   5.213   2.334  -6.546
  483   1HB   GLU  69          2HB       GLU  69   5.821   0.832  -8.521
  484   1HG   GLU  69          2HG       GLU  69   4.164   1.758 -10.032
  485    H    LEU  70           H        LEU  70   3.069   3.084  -6.491
  486    HA   LEU  70           HA       LEU  70   1.097   1.245  -5.317
  487   1HB   LEU  70          2HB       LEU  70   1.695   4.066  -4.431
  488    HG   LEU  70           HG       LEU  70   3.184   2.432  -3.363
  489   1HD1  LEU  70          1HD1      LEU  70   2.605   2.938  -1.033
  490   2HD1  LEU  70          2HD1      LEU  70   2.447   4.353  -2.074
  491   3HD1  LEU  70          3HD1      LEU  70   1.008   3.475  -1.553
  492   1HD2  LEU  70          1HD2      LEU  70   2.247   0.683  -1.924
  493   2HD2  LEU  70          2HD2      LEU  70   0.625   1.101  -2.478
  494   3HD2  LEU  70          3HD2      LEU  70   1.803   0.445  -3.615
  495    H    GLU  71           H        GLU  71  -0.972   1.451  -6.034
  496    HA   GLU  71           HA       GLU  71  -1.457   3.524  -8.073
  497   1HB   GLU  71          2HB       GLU  71  -1.390   1.333  -9.094
  498   1HG   GLU  71          2HG       GLU  71  -4.261   2.182  -8.774
  499    H    ALA  72           H        ALA  72  -3.119   4.871  -7.763
  500    HA   ALA  72           HA       ALA  72  -4.537   4.901  -5.323
  501   1HB   ALA  72          1HB       ALA  72  -4.031   6.927  -6.615
  502   2HB   ALA  72          2HB       ALA  72  -5.159   6.402  -7.866
  503   3HB   ALA  72          3HB       ALA  72  -5.752   6.789  -6.248
  504    H    VAL  73           H        VAL  73  -6.910   4.898  -5.106
  505    HA   VAL  73           HA       VAL  73  -8.072   2.728  -6.715
  506    HB   VAL  73           HB       VAL  73  -9.631   2.373  -4.867
  507   1HG1  VAL  73          1HG1      VAL  73  -7.521   1.162  -4.850
  508   2HG1  VAL  73          2HG1      VAL  73  -6.752   2.487  -3.976
  509   3HG1  VAL  73          3HG1      VAL  73  -8.028   1.547  -3.204
  510   1HG2  VAL  73          1HG2      VAL  73  -9.788   4.676  -4.074
  511   2HG2  VAL  73          2HG2      VAL  73  -9.370   3.581  -2.755
  512   3HG2  VAL  73          3HG2      VAL  73  -8.127   4.595  -3.488
  513    H    ALA  74           H        ALA  74 -10.601   2.878  -6.671
  514    HA   ALA  74           HA       ALA  74 -11.299   5.558  -7.666
  515   1HB   ALA  74          1HB       ALA  74 -13.016   4.468  -9.003
  516   2HB   ALA  74          2HB       ALA  74 -11.436   3.752  -9.322
  517   3HB   ALA  74          3HB       ALA  74 -12.596   2.907  -8.297
  518    H    GLN  75           H        GLN  75 -13.912   5.694  -7.610
  519    HA   GLN  75           HA       GLN  75 -14.720   5.094  -4.840
  520   1HB   GLN  75          2HB       GLN  75 -15.392   7.593  -6.401
  521   1HG   GLN  75          2HG       GLN  75 -13.441   7.137  -4.174
  522   1HE2  GLN  75          1HE2      GLN  75 -12.601   8.932  -3.118
  523   2HE2  GLN  75          2HE2      GLN  75 -13.458  10.431  -3.027
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1   1.545   9.366  -5.662
    2   2H    MET   1          2H        MET   1   3.174   9.633  -5.294
    3   3H    MET   1          3H        MET   1   2.523  10.240  -6.733
    4    HA   MET   1           HA       MET   1   2.793  11.994  -5.119
    5   1HB   MET   1          2HB       MET   1  -0.066  11.209  -5.706
    6   1HG   MET   1          2HG       MET   1   1.768  13.145  -7.102
    7   1HE   MET   1          1HE       MET   1   0.951  14.374  -9.310
    8   2HE   MET   1          2HE       MET   1   0.553  12.789  -9.970
    9   3HE   MET   1          3HE       MET   1  -0.629  14.096 -10.042
   10    H    GLN   2           H        GLN   2   1.438  13.016  -3.238
   11    HA   GLN   2           HA       GLN   2   2.071  11.701  -0.897
   12   1HB   GLN   2          2HB       GLN   2  -0.078  13.772  -1.370
   13   1HG   GLN   2          2HG       GLN   2   2.196  14.522  -1.944
   14   1HE2  GLN   2          1HE2      GLN   2   4.295  15.016  -1.345
   15   2HE2  GLN   2          2HE2      GLN   2   5.070  14.274   0.010
   16    H    PHE   3           H        PHE   3   0.863  10.595   0.676
   17    HA   PHE   3           HA       PHE   3  -1.770   9.593  -0.107
   18   1HB   PHE   3          2HB       PHE   3  -1.003   7.274   0.650
   19    HD1  PHE   3           1HD      PHE   3   0.496   6.635   2.313
   20    HD2  PHE   3           2HD      PHE   3   1.907   8.794  -1.072
   21    HE1  PHE   3           1HE      PHE   3   2.815   6.228   3.027
   22    HE2  PHE   3           2HE      PHE   3   4.228   8.391  -0.365
   23    HZ   PHE   3           HZ       PHE   3   4.691   7.098   1.664
   24    H    THR   4           H        THR   4  -2.930  10.423   1.521
   25    HA   THR   4           HA       THR   4  -1.897  10.463   4.229
   26    HB   THR   4           HB       THR   4  -4.071  11.548   4.787
   27    HG1  THR   4           1HG      THR   4  -5.338  12.197   2.901
   28   1HG2  THR   4          1HG2      THR   4  -3.622  13.639   3.588
   29   2HG2  THR   4          2HG2      THR   4  -2.568  12.770   2.471
   30   3HG2  THR   4          3HG2      THR   4  -2.132  12.900   4.175
   31    HA   PRO   5           HA       PRO   5  -3.890   6.793   5.647
   32   1HB   PRO   5          2HB       PRO   5  -4.395   7.385   8.226
   33   1HG   PRO   5          2HG       PRO   5  -4.239   9.703   8.132
   34   1HD   PRO   5          2HD       PRO   5  -3.237  10.775   6.363
   35    H    ASP   6           H        ASP   6  -5.796   6.903   4.352
   36    HA   ASP   6           HA       ASP   6  -8.202   6.836   5.751
   37   1HB   ASP   6          2HB       ASP   6  -8.000   9.250   5.972
   38    H    SER   7           H        SER   7  -6.725   7.658   2.644
   39    HA   SER   7           HA       SER   7  -8.878   6.321   1.202
   40   1HB   SER   7          2HB       SER   7  -6.429   7.787   0.186
   41    HG   SER   7           HG       SER   7  -9.089   8.538   0.682
   42    H    ALA   8           H        ALA   8  -8.647   4.454   0.035
   43    HA   ALA   8           HA       ALA   8  -6.544   2.681   0.866
   44   1HB   ALA   8          1HB       ALA   8  -8.761   2.250  -1.133
   45   2HB   ALA   8          2HB       ALA   8  -7.720   0.999  -0.454
   46   3HB   ALA   8          3HB       ALA   8  -8.835   1.881   0.589
   47    H    TRP   9           H        TRP   9  -5.330   1.358  -0.739
   48    HA   TRP   9           HA       TRP   9  -4.798   2.657  -3.289
   49   1HB   TRP   9          2HB       TRP   9  -2.571   2.146  -1.306
   50    HD1  TRP   9           HD       TRP   9  -3.875   3.692   0.554
   51    HE1  TRP   9           1HE      TRP   9  -3.968   6.254   0.786
   52    HE3  TRP   9           3HE      TRP   9  -2.406   4.988  -4.167
   53    HZ2  TRP   9           2HZ      TRP   9  -3.483   8.524  -0.819
   54    HZ3  TRP   9           3HZ      TRP   9  -2.246   7.376  -4.738
   55    HH2  TRP   9           HH       TRP   9  -2.774   9.106  -3.098
   56    H    LYS  10           H        LYS  10  -3.129   1.338  -4.551
   57    HA   LYS  10           HA       LYS  10  -3.579  -1.511  -3.983
   58   1HB   LYS  10          2HB       LYS  10  -3.407  -0.027  -6.597
   59   1HG   LYS  10          2HG       LYS  10  -5.444  -1.980  -5.545
   60   1HD   LYS  10          2HD       LYS  10  -5.516  -0.255  -8.016
   61   1HE   LYS  10          2HE       LYS  10  -7.487  -1.536  -8.584
   62   1HZ   LYS  10          1HZ       LYS  10  -7.838   0.419  -7.203
   63   2HZ   LYS  10          2HZ       LYS  10  -7.692  -0.517  -5.802
   64   3HZ   LYS  10          3HZ       LYS  10  -8.986  -0.775  -6.860
   65    H    ILE  11           H        ILE  11  -1.880  -2.892  -3.957
   66    HA   ILE  11           HA       ILE  11   0.755  -1.753  -3.792
   67    HB   ILE  11           HB       ILE  11  -0.100  -4.649  -3.650
   68   1HG1  ILE  11          2HG1      ILE  11   0.413  -2.603  -1.482
   69   1HG2  ILE  11          1HG2      ILE  11   2.246  -4.430  -4.227
   70   2HG2  ILE  11          2HG2      ILE  11   2.496  -3.330  -2.872
   71   3HG2  ILE  11          3HG2      ILE  11   2.074  -5.015  -2.573
   72   1HD1  ILE  11          1HD1      ILE  11  -0.156  -4.343   0.118
   73   2HD1  ILE  11          2HD1      ILE  11  -0.220  -5.530  -1.186
   74   3HD1  ILE  11          3HD1      ILE  11   1.309  -4.750  -0.776
   75    H    THR  12           H        THR  12   2.133  -1.524  -5.406
   76    HA   THR  12           HA       THR  12   2.037  -3.391  -7.671
   77    HB   THR  12           HB       THR  12   2.322  -0.396  -7.993
   78    HG1  THR  12           1HG      THR  12   0.222  -0.346  -8.357
   79   1HG2  THR  12          1HG2      THR  12   2.379  -2.718  -9.889
   80   2HG2  THR  12          2HG2      THR  12   3.475  -1.340  -9.782
   81   3HG2  THR  12          3HG2      THR  12   1.851  -1.126 -10.436
   82    H    GLY  13           H        GLY  13   3.812  -3.775  -5.729
   83   1HA   GLY  13          1HA       GLY  13   6.198  -2.405  -5.661
   84   2HA   GLY  13          2HA       GLY  13   6.063  -4.140  -5.431
   85    H    PHE  14           H        PHE  14   6.947  -1.594  -7.585
   86    HA   PHE  14           HA       PHE  14   8.291  -3.526  -9.298
   87   1HB   PHE  14          2HB       PHE  14   6.098  -3.172 -10.372
   88    HD1  PHE  14           1HD      PHE  14   7.293  -4.682 -11.849
   89    HD2  PHE  14           2HD      PHE  14   7.931  -0.476 -11.998
   90    HE1  PHE  14           1HE      PHE  14   8.397  -4.930 -14.034
   91    HE2  PHE  14           2HE      PHE  14   9.034  -0.717 -14.184
   92    HZ   PHE  14           HZ       PHE  14   9.269  -2.946 -15.204
   93    H    SER  15           H        SER  15  10.271  -2.762  -8.636
   94    HA   SER  15           HA       SER  15  10.829   0.089  -9.077
   95   1HB   SER  15          2HB       SER  15  11.327  -0.817  -6.813
   96    HG   SER  15           HG       SER  15  12.609   0.884  -7.411
   97    H    ARG  16           H        ARG  16  13.484   0.146  -9.430
   98    HA   ARG  16           HA       ARG  16  13.763  -0.921 -12.109
   99   1HB   ARG  16          2HB       ARG  16  15.490   0.928 -10.461
  100   1HG   ARG  16          2HG       ARG  16  14.902   2.604 -12.136
  101   1HD   ARG  16          2HD       ARG  16  12.380   1.368 -11.058
  102    HE   ARG  16           HE       ARG  16  12.922   3.909 -12.186
  103   1HH1  ARG  16          2HH1      ARG  16  11.166   2.356  -9.607
  104   2HH1  ARG  16          1HH1      ARG  16   9.954   3.591  -9.516
  105   1HH2  ARG  16          2HH2      ARG  16  11.332   5.541 -12.069
  106   2HH2  ARG  16          1HH2      ARG  16  10.050   5.400 -10.915
  107    H    ASP  17           H        ASP  17  14.829  -1.679  -8.921
  108    HA   ASP  17           HA       ASP  17  16.194  -4.025  -9.898
  109   1HB   ASP  17          2HB       ASP  17  17.694  -1.867  -8.402
  110    H    ILE  18           H        ILE  18  13.864  -3.491  -8.277
  111    HA   ILE  18           HA       ILE  18  14.119  -3.656  -5.565
  112    HB   ILE  18           HB       ILE  18  11.942  -3.566  -6.631
  113   1HG1  ILE  18          2HG1      ILE  18  12.328  -6.025  -4.911
  114   1HG2  ILE  18          1HG2      ILE  18  12.438  -5.021  -8.536
  115   2HG2  ILE  18          2HG2      ILE  18  12.428  -6.421  -7.464
  116   3HG2  ILE  18          3HG2      ILE  18  10.949  -5.496  -7.722
  117   1HD1  ILE  18          1HD1      ILE  18   9.992  -5.772  -4.257
  118   2HD1  ILE  18          2HD1      ILE  18   9.790  -4.515  -5.479
  119   3HD1  ILE  18          3HD1      ILE  18  10.153  -6.171  -5.968
  120    H    SER  19           H        SER  19  15.132  -4.990  -4.216
  121    HA   SER  19           HA       SER  19  16.303  -7.436  -5.155
  122   1HB   SER  19          2HB       SER  19  17.174  -7.635  -2.844
  123    HG   SER  19           HG       SER  19  16.362  -6.492  -1.275
  124    HA   PRO  20           HA       PRO  20  13.230 -10.388  -4.064
  125   1HB   PRO  20          2HB       PRO  20  14.735 -12.365  -2.902
  126   1HG   PRO  20          2HG       PRO  20  16.755 -11.239  -2.748
  127   1HD   PRO  20          2HD       PRO  20  17.161  -9.279  -3.912
  128    H    ALA  21           H        ALA  21  15.503  -9.432  -1.550
  129    HA   ALA  21           HA       ALA  21  14.315 -10.545   0.685
  130   1HB   ALA  21          1HB       ALA  21  16.441  -9.347   0.757
  131   2HB   ALA  21          2HB       ALA  21  15.601  -7.824   0.470
  132   3HB   ALA  21          3HB       ALA  21  15.320  -8.717   1.965
  133    H    TYR  22           H        TYR  22  13.561  -7.482  -0.931
  134    HA   TYR  22           HA       TYR  22  11.304  -6.997   0.822
  135   1HB   TYR  22          2HB       TYR  22  12.376  -5.480  -1.563
  136    HD1  TYR  22           1HD      TYR  22  14.627  -5.680  -0.403
  137    HD2  TYR  22           2HD      TYR  22  11.280  -3.739   1.371
  138    HE1  TYR  22           1HE      TYR  22  16.134  -4.516   1.155
  139    HE2  TYR  22           2HE      TYR  22  12.778  -2.570   2.932
  140    HH   TYR  22           HH       TYR  22  16.156  -2.497   2.535
  141    H    ARG  23           H        ARG  23  11.923  -8.260  -2.363
  142    HA   ARG  23           HA       ARG  23   9.219  -8.058  -3.297
  143   1HB   ARG  23          2HB       ARG  23  11.433  -8.252  -4.658
  144   1HG   ARG  23          2HG       ARG  23   9.440  -8.099  -5.904
  145   1HD   ARG  23          2HD       ARG  23   8.878 -10.944  -5.079
  146    HE   ARG  23           HE       ARG  23   8.005  -9.793  -7.387
  147   1HH1  ARG  23          2HH1      ARG  23   6.466 -10.825  -4.438
  148   2HH1  ARG  23          1HH1      ARG  23   4.966 -11.225  -5.207
  149   1HH2  ARG  23          2HH2      ARG  23   6.035 -10.319  -8.411
  150   2HH2  ARG  23          1HH2      ARG  23   4.723 -10.939  -7.468
  151    H    GLN  24           H        GLN  24  11.240 -10.906  -2.529
  152    HA   GLN  24           HA       GLN  24   9.228 -12.803  -2.577
  153   1HB   GLN  24          2HB       GLN  24  11.641 -13.318  -2.437
  154   1HG   GLN  24          2HG       GLN  24  10.098 -14.556  -0.169
  155   1HE2  GLN  24          1HE2      GLN  24  11.930 -14.922   1.074
  156   2HE2  GLN  24          2HE2      GLN  24  13.152 -16.048   0.603
  157    H    LYS  25           H        LYS  25   9.980 -10.454  -0.129
  158    HA   LYS  25           HA       LYS  25   8.855 -11.518   2.137
  159   1HB   LYS  25          2HB       LYS  25  10.030  -9.299   1.881
  160   1HG   LYS  25          2HG       LYS  25   7.414  -9.148   3.359
  161   1HD   LYS  25          2HD       LYS  25   8.585  -7.588   4.808
  162   1HE   LYS  25          2HE       LYS  25   8.848  -5.699   3.275
  163   1HZ   LYS  25          1HZ       LYS  25   6.613  -7.471   2.447
  164   2HZ   LYS  25          2HZ       LYS  25   6.684  -5.794   2.243
  165   3HZ   LYS  25          3HZ       LYS  25   6.598  -6.451   3.798
  166    H    LEU  26           H        LEU  26   7.251 -10.227  -0.692
  167    HA   LEU  26           HA       LEU  26   4.643 -10.248   0.558
  168   1HB   LEU  26          2HB       LEU  26   5.544  -9.727  -2.271
  169    HG   LEU  26           HG       LEU  26   4.387  -7.852  -0.202
  170   1HD1  LEU  26          1HD1      LEU  26   6.570  -6.678  -0.519
  171   2HD1  LEU  26          2HD1      LEU  26   6.689  -8.246   0.278
  172   3HD1  LEU  26          3HD1      LEU  26   7.130  -8.086  -1.421
  173   1HD2  LEU  26          1HD2      LEU  26   4.688  -6.122  -1.904
  174   2HD2  LEU  26          2HD2      LEU  26   5.196  -7.350  -3.064
  175   3HD2  LEU  26          3HD2      LEU  26   3.548  -7.358  -2.437
  176    H    LEU  27           H        LEU  27   6.396 -12.167  -1.848
  177    HA   LEU  27           HA       LEU  27   4.424 -13.848  -2.730
  178   1HB   LEU  27          2HB       LEU  27   7.290 -14.545  -2.096
  179    HG   LEU  27           HG       LEU  27   7.210 -12.808  -3.789
  180   1HD1  LEU  27          1HD1      LEU  27   8.274 -14.012  -5.646
  181   2HD1  LEU  27          2HD1      LEU  27   8.868 -14.552  -4.074
  182   3HD1  LEU  27          3HD1      LEU  27   7.709 -15.538  -4.965
  183   1HD2  LEU  27          1HD2      LEU  27   5.301 -14.637  -5.242
  184   2HD2  LEU  27          2HD2      LEU  27   4.905 -13.082  -4.511
  185   3HD2  LEU  27          3HD2      LEU  27   5.997 -13.154  -5.893
  186    H    SER  28           H        SER  28   5.883 -13.740   0.407
  187    HA   SER  28           HA       SER  28   5.240 -16.348   1.277
  188   1HB   SER  28          2HB       SER  28   5.533 -15.421   3.561
  189    HG   SER  28           HG       SER  28   5.677 -13.309   3.899
  190    H    LEU  29           H        LEU  29   3.445 -13.314   1.285
  191    HA   LEU  29           HA       LEU  29   1.200 -14.561   2.660
  192   1HB   LEU  29          2HB       LEU  29   1.676 -11.751   1.679
  193    HG   LEU  29           HG       LEU  29   1.356 -12.804   4.493
  194   1HD1  LEU  29          1HD1      LEU  29   3.756 -11.806   2.978
  195   2HD1  LEU  29          2HD1      LEU  29   3.702 -11.964   4.734
  196   3HD1  LEU  29          3HD1      LEU  29   3.523 -13.392   3.716
  197   1HD2  LEU  29          1HD2      LEU  29   1.866 -10.013   3.473
  198   2HD2  LEU  29          2HD2      LEU  29   0.373 -10.594   4.210
  199   3HD2  LEU  29          3HD2      LEU  29   1.853 -10.505   5.167
  200    H    GLY  30           H        GLY  30   2.227 -13.757  -0.541
  201   1HA   GLY  30          1HA       GLY  30   1.251 -14.742  -2.464
  202   2HA   GLY  30          2HA       GLY  30  -0.260 -14.907  -1.581
  203    H    MET  31           H        MET  31   1.433 -11.899  -1.417
  204    HA   MET  31           HA       MET  31  -0.714 -10.652  -2.967
  205   1HB   MET  31          2HB       MET  31   1.354  -9.368  -1.173
  206   1HG   MET  31          2HG       MET  31  -1.545  -9.962  -0.622
  207   1HE   MET  31          1HE       MET  31   1.626  -9.426   1.629
  208   2HE   MET  31          2HE       MET  31   1.800  -8.168   0.405
  209   3HE   MET  31          3HE       MET  31   1.457  -7.728   2.078
  210    H    LEU  32           H        LEU  32  -0.159 -10.778  -5.077
  211    HA   LEU  32           HA       LEU  32   2.541 -10.019  -5.900
  212   1HB   LEU  32          2HB       LEU  32   0.219 -11.272  -7.352
  213    HG   LEU  32           HG       LEU  32   3.002 -12.267  -6.744
  214   1HD1  LEU  32          1HD1      LEU  32   0.265 -13.306  -6.025
  215   2HD1  LEU  32          2HD1      LEU  32   1.792 -14.113  -5.669
  216   3HD1  LEU  32          3HD1      LEU  32   1.422 -12.556  -4.928
  217   1HD2  LEU  32          1HD2      LEU  32   2.432 -14.245  -8.048
  218   2HD2  LEU  32          2HD2      LEU  32   0.892 -13.513  -8.503
  219   3HD2  LEU  32          3HD2      LEU  32   2.406 -12.798  -9.056
  220    HA   PRO  33           HA       PRO  33   1.941  -5.936  -7.411
  221   1HB   PRO  33          2HB       PRO  33   2.119  -7.103 -10.167
  222   1HG   PRO  33          2HG       PRO  33   4.248  -7.955  -9.764
  223   1HD   PRO  33          2HD       PRO  33   3.121  -9.506  -8.521
  224    H    GLY  34           H        GLY  34  -0.065  -5.174  -7.134
  225   1HA   GLY  34          1HA       GLY  34  -2.021  -4.404  -8.414
  226   2HA   GLY  34          2HA       GLY  34  -2.140  -6.037  -9.053
  227    H    SER  35           H        SER  35  -1.421  -5.277  -5.709
  228    HA   SER  35           HA       SER  35  -3.899  -6.645  -4.929
  229   1HB   SER  35          2HB       SER  35  -1.808  -7.573  -4.023
  230    HG   SER  35           HG       SER  35  -3.592  -7.738  -2.668
  231    H    SER  36           H        SER  36  -4.723  -5.813  -2.680
  232    HA   SER  36           HA       SER  36  -4.871  -2.872  -2.814
  233   1HB   SER  36          2HB       SER  36  -6.987  -3.893  -3.522
  234    HG   SER  36           HG       SER  36  -8.323  -2.916  -1.898
  235    H    PHE  37           H        PHE  37  -5.183  -1.758  -0.809
  236    HA   PHE  37           HA       PHE  37  -5.071  -3.099   1.699
  237   1HB   PHE  37          2HB       PHE  37  -2.842  -2.513   2.398
  238    HD1  PHE  37           1HD      PHE  37  -1.864  -0.417   2.602
  239    HD2  PHE  37           2HD      PHE  37  -2.454  -2.085  -1.267
  240    HE1  PHE  37           1HE      PHE  37  -0.549   1.415   1.619
  241    HE2  PHE  37           2HE      PHE  37  -1.139  -0.257  -2.259
  242    HZ   PHE  37           HZ       PHE  37  -0.186   1.496  -0.817
  243    H    HIS  38           H        HIS  38  -4.390  -1.376   3.468
  244    HA   HIS  38           HA       HIS  38  -5.482   1.241   2.674
  245   1HB   HIS  38          2HB       HIS  38  -7.236   0.014   3.839
  246    HD1  HIS  38           1HD      HIS  38  -8.069   2.497   3.575
  247    HD2  HIS  38           2HD      HIS  38  -5.924   1.717   7.048
  248    HE1  HIS  38           1HE      HIS  38  -8.512   4.453   5.094
  249    HE2  HIS  38           2HE      HIS  38  -7.188   3.969   7.181
  250    H    VAL  39           H        VAL  39  -4.828   3.031   3.991
  251    HA   VAL  39           HA       VAL  39  -2.122   2.688   5.031
  252    HB   VAL  39           HB       VAL  39  -3.693   5.218   4.515
  253   1HG1  VAL  39          1HG1      VAL  39  -1.511   6.343   4.725
  254   2HG1  VAL  39          2HG1      VAL  39  -2.020   5.568   6.225
  255   3HG1  VAL  39          3HG1      VAL  39  -0.788   4.810   5.215
  256   1HG2  VAL  39          1HG2      VAL  39  -1.505   3.912   2.900
  257   2HG2  VAL  39          2HG2      VAL  39  -3.211   3.994   2.461
  258   3HG2  VAL  39          3HG2      VAL  39  -2.252   5.470   2.553
  259    H    VAL  40           H        VAL  40  -1.562   2.924   7.131
  260    HA   VAL  40           HA       VAL  40  -3.746   3.319   9.044
  261    HB   VAL  40           HB       VAL  40  -0.962   2.242   9.511
  262   1HG1  VAL  40          1HG1      VAL  40  -3.355   2.379  11.342
  263   2HG1  VAL  40          2HG1      VAL  40  -1.844   1.542  11.698
  264   3HG1  VAL  40          3HG1      VAL  40  -1.857   3.295  11.506
  265   1HG2  VAL  40          1HG2      VAL  40  -2.063   0.068   9.733
  266   2HG2  VAL  40          2HG2      VAL  40  -3.609   0.809   9.320
  267   3HG2  VAL  40          3HG2      VAL  40  -2.310   0.754   8.127
  268    H    ARG  41           H        ARG  41  -0.361   4.357   8.557
  269    HA   ARG  41           HA       ARG  41  -1.026   7.004   9.510
  270   1HB   ARG  41          2HB       ARG  41   0.779   6.981  11.245
  271   1HG   ARG  41          2HG       ARG  41   0.607   3.991  10.920
  272   1HD   ARG  41          2HD       ARG  41   0.743   4.727  13.266
  273    HE   ARG  41           HE       ARG  41   2.661   6.582  12.327
  274   1HH1  ARG  41          2HH1      ARG  41   1.960   4.488  15.021
  275   2HH1  ARG  41          1HH1      ARG  41   2.834   5.452  16.163
  276   1HH2  ARG  41          2HH2      ARG  41   3.818   7.858  13.823
  277   2HH2  ARG  41          1HH2      ARG  41   3.889   7.370  15.483
  278    H    VAL  42           H        VAL  42   0.023   8.413   8.287
  279    HA   VAL  42           HA       VAL  42   2.715   7.751   7.314
  280    HB   VAL  42           HB       VAL  42   0.546   8.950   5.580
  281   1HG1  VAL  42          1HG1      VAL  42   2.220   8.598   3.773
  282   2HG1  VAL  42          2HG1      VAL  42   2.705   9.801   4.969
  283   3HG1  VAL  42          3HG1      VAL  42   3.404   8.181   5.013
  284   1HG2  VAL  42          1HG2      VAL  42   0.318   6.488   6.137
  285   2HG2  VAL  42          2HG2      VAL  42   0.419   6.894   4.424
  286   3HG2  VAL  42          3HG2      VAL  42   1.830   6.252   5.261
  287    H    ALA  43           H        ALA  43   3.952   9.634   6.618
  288    HA   ALA  43           HA       ALA  43   3.006  12.141   7.842
  289   1HB   ALA  43          1HB       ALA  43   5.838  11.106   7.880
  290   2HB   ALA  43          2HB       ALA  43   5.258  12.610   8.600
  291   3HB   ALA  43          3HB       ALA  43   4.716  11.057   9.241
  292    HA   PRO  44           HA       PRO  44   4.035  14.011   3.973
  293   1HB   PRO  44          2HB       PRO  44   4.237  16.585   4.676
  294   1HG   PRO  44          2HG       PRO  44   4.634  16.378   6.952
  295   1HD   PRO  44          2HD       PRO  44   4.304  14.389   8.031
  296    H    LEU  45           H        LEU  45   6.175  14.645   6.698
  297    HA   LEU  45           HA       LEU  45   8.288  15.704   5.050
  298   1HB   LEU  45          2HB       LEU  45   8.212  14.867   7.947
  299    HG   LEU  45           HG       LEU  45   6.939  16.920   7.531
  300   1HD1  LEU  45          1HD1      LEU  45   9.602  17.368   8.870
  301   2HD1  LEU  45          2HD1      LEU  45   8.183  18.400   9.053
  302   3HD1  LEU  45          3HD1      LEU  45   8.139  16.731   9.622
  303   1HD2  LEU  45          1HD2      LEU  45   8.015  17.625   5.471
  304   2HD2  LEU  45          2HD2      LEU  45   8.081  18.914   6.673
  305   3HD2  LEU  45          3HD2      LEU  45   9.515  17.942   6.342
  306    H    GLY  46           H        GLY  46   7.334  12.596   6.259
  307   1HA   GLY  46          1HA       GLY  46   8.280  10.744   4.849
  308   2HA   GLY  46          2HA       GLY  46   9.850  11.446   5.217
  309    H    ASP  47           H        ASP  47   7.434   9.278   6.214
  310    HA   ASP  47           HA       ASP  47   9.046   8.512   8.508
  311   1HB   ASP  47          2HB       ASP  47   6.160   9.364   8.704
  312    HA   PRO  48           HA       PRO  48   7.647   4.475   7.410
  313   1HB   PRO  48          2HB       PRO  48   7.547   3.404  10.046
  314   1HG   PRO  48          2HG       PRO  48   8.830   4.777  11.319
  315   1HD   PRO  48          2HD       PRO  48   7.471   6.536  10.707
  316    H    VAL  49           H        VAL  49   5.693   3.921   6.749
  317    HA   VAL  49           HA       VAL  49   3.406   4.282   8.558
  318    HB   VAL  49           HB       VAL  49   3.025   5.568   6.631
  319   1HG1  VAL  49          1HG1      VAL  49   3.296   4.697   4.334
  320   2HG1  VAL  49          2HG1      VAL  49   4.806   4.760   5.245
  321   3HG1  VAL  49          3HG1      VAL  49   3.980   3.218   5.011
  322   1HG2  VAL  49          1HG2      VAL  49   1.166   4.454   5.436
  323   2HG2  VAL  49          2HG2      VAL  49   1.626   2.928   6.185
  324   3HG2  VAL  49          3HG2      VAL  49   1.055   4.264   7.185
  325    H    HIS  50           H        HIS  50   1.690   2.701   8.456
  326    HA   HIS  50           HA       HIS  50   2.702  -0.016   7.931
  327   1HB   HIS  50          2HB       HIS  50   0.748   0.954  10.026
  328    HD1  HIS  50           1HD      HIS  50   2.962  -1.769  10.948
  329    HD2  HIS  50           2HD      HIS  50   3.131   2.382  10.978
  330    HE1  HIS  50           1HE      HIS  50   4.847  -1.185  12.506
  331    HE2  HIS  50           2HE      HIS  50   4.942   1.333  12.497
  332    H    ILE  51           H        ILE  51   1.492  -1.384   6.706
  333    HA   ILE  51           HA       ILE  51  -0.889  -0.223   5.447
  334    HB   ILE  51           HB       ILE  51  -0.578  -1.849   3.662
  335   1HG1  ILE  51          2HG1      ILE  51   1.819  -2.765   5.268
  336   1HG2  ILE  51          1HG2      ILE  51   1.537  -0.991   2.758
  337   2HG2  ILE  51          2HG2      ILE  51   0.560   0.287   3.483
  338   3HG2  ILE  51          3HG2      ILE  51   1.951  -0.362   4.353
  339   1HD1  ILE  51          1HD1      ILE  51   0.862  -3.715   2.579
  340   2HD1  ILE  51          2HD1      ILE  51   2.342  -2.810   2.895
  341   3HD1  ILE  51          3HD1      ILE  51   2.152  -4.442   3.539
  342    H    GLU  52           H        GLU  52  -2.839  -1.239   5.416
  343    HA   GLU  52           HA       GLU  52  -3.114  -3.571   7.185
  344   1HB   GLU  52          2HB       GLU  52  -4.339  -1.626   7.963
  345   1HG   GLU  52          2HG       GLU  52  -6.234  -3.615   6.737
  346    H    THR  53           H        THR  53  -3.141  -5.385   6.025
  347    HA   THR  53           HA       THR  53  -4.703  -5.427   3.528
  348    HB   THR  53           HB       THR  53  -3.313  -7.346   2.838
  349    HG1  THR  53           1HG      THR  53  -1.958  -6.788   5.282
  350   1HG2  THR  53          1HG2      THR  53  -2.666  -5.085   2.152
  351   2HG2  THR  53          2HG2      THR  53  -1.248  -6.102   2.405
  352   3HG2  THR  53          3HG2      THR  53  -1.707  -4.911   3.621
  353    H    ARG  54           H        ARG  54  -5.126  -7.990   3.067
  354    HA   ARG  54           HA       ARG  54  -7.291  -8.710   4.589
  355   1HB   ARG  54          2HB       ARG  54  -5.414 -10.516   3.059
  356   1HG   ARG  54          2HG       ARG  54  -6.480  -8.795   1.669
  357   1HD   ARG  54          2HD       ARG  54  -9.043 -10.051   2.639
  358    HE   ARG  54           HE       ARG  54  -8.593  -8.721   0.226
  359   1HH1  ARG  54          2HH1      ARG  54 -10.723  -8.568   2.975
  360   2HH1  ARG  54          1HH1      ARG  54 -12.045  -7.898   2.079
  361   1HH2  ARG  54          2HH2      ARG  54 -10.329  -7.837  -0.968
  362   2HH2  ARG  54          1HH2      ARG  54 -11.821  -7.483  -0.162
  363    H    ARG  55           H        ARG  55  -7.193  -8.805   6.757
  364    HA   ARG  55           HA       ARG  55  -6.559  -9.383   8.859
  365   1HB   ARG  55          2HB       ARG  55  -6.314 -11.842   9.181
  366   1HG   ARG  55          2HG       ARG  55  -6.611 -12.006   6.189
  367   1HD   ARG  55          2HD       ARG  55  -6.285 -14.137   8.296
  368    HE   ARG  55           HE       ARG  55  -5.547 -14.410   5.718
  369   1HH1  ARG  55          2HH1      ARG  55  -8.213 -15.677   7.565
  370   2HH1  ARG  55          1HH1      ARG  55  -8.324 -17.141   6.647
  371   1HH2  ARG  55          2HH2      ARG  55  -5.682 -16.337   4.501
  372   2HH2  ARG  55          1HH2      ARG  55  -6.884 -17.517   4.905
  373    H    VAL  56           H        VAL  56  -4.390  -8.254   7.390
  374    HA   VAL  56           HA       VAL  56  -2.205  -9.331   8.964
  375    HB   VAL  56           HB       VAL  56  -2.020  -9.181   5.949
  376   1HG1  VAL  56          1HG1      VAL  56   0.296  -9.921   6.221
  377   2HG1  VAL  56          2HG1      VAL  56   0.030  -8.357   6.992
  378   3HG1  VAL  56          3HG1      VAL  56   0.127  -9.820   7.973
  379   1HG2  VAL  56          1HG2      VAL  56  -1.728 -11.525   7.826
  380   2HG2  VAL  56          2HG2      VAL  56  -3.125 -11.200   6.803
  381   3HG2  VAL  56          3HG2      VAL  56  -1.566 -11.569   6.071
  382    H    SER  57           H        SER  57  -1.061  -7.719   9.791
  383    HA   SER  57           HA       SER  57  -1.263  -5.069   8.523
  384   1HB   SER  57          2HB       SER  57  -2.226  -5.136  10.767
  385    HG   SER  57           HG       SER  57  -1.368  -3.203  10.707
  386    H    LEU  58           H        LEU  58   0.486  -4.717   7.312
  387    HA   LEU  58           HA       LEU  58   3.105  -5.579   8.339
  388   1HB   LEU  58          2HB       LEU  58   2.333  -4.795   5.528
  389    HG   LEU  58           HG       LEU  58   1.314  -6.952   6.089
  390   1HD1  LEU  58          1HD1      LEU  58   2.179  -6.589   3.834
  391   2HD1  LEU  58          2HD1      LEU  58   3.747  -7.225   4.331
  392   3HD1  LEU  58          3HD1      LEU  58   2.332  -8.278   4.319
  393   1HD2  LEU  58          1HD2      LEU  58   2.793  -7.587   7.921
  394   2HD2  LEU  58          2HD2      LEU  58   2.715  -8.858   6.701
  395   3HD2  LEU  58          3HD2      LEU  58   4.124  -7.800   6.783
  396    H    VAL  59           H        VAL  59   4.927  -4.157   8.065
  397    HA   VAL  59           HA       VAL  59   4.155  -1.315   8.191
  398    HB   VAL  59           HB       VAL  59   5.071  -2.137  10.302
  399   1HG1  VAL  59          1HG1      VAL  59   7.414  -2.872  10.438
  400   2HG1  VAL  59          2HG1      VAL  59   6.430  -3.964   9.463
  401   3HG1  VAL  59          3HG1      VAL  59   7.521  -2.821   8.679
  402   1HG2  VAL  59          1HG2      VAL  59   5.497   0.179   9.666
  403   2HG2  VAL  59          2HG2      VAL  59   6.852  -0.477  10.584
  404   3HG2  VAL  59          3HG2      VAL  59   6.970  -0.310   8.831
  405    H    LEU  60           H        LEU  60   5.099   0.111   6.842
  406    HA   LEU  60           HA       LEU  60   7.294  -0.872   5.140
  407   1HB   LEU  60          2HB       LEU  60   5.084   1.019   4.333
  408    HG   LEU  60           HG       LEU  60   4.154  -1.225   4.442
  409   1HD1  LEU  60          1HD1      LEU  60   4.809  -0.368   1.627
  410   2HD1  LEU  60          2HD1      LEU  60   3.535  -1.501   2.082
  411   3HD1  LEU  60          3HD1      LEU  60   3.446   0.182   2.603
  412   1HD2  LEU  60          1HD2      LEU  60   6.507  -2.007   2.727
  413   2HD2  LEU  60          2HD2      LEU  60   6.195  -2.520   4.385
  414   3HD2  LEU  60          3HD2      LEU  60   5.121  -3.039   3.085
  415    H    ARG  61           H        ARG  61   9.050   0.399   4.949
  416    HA   ARG  61           HA       ARG  61   9.068   2.884   6.489
  417   1HB   ARG  61          2HB       ARG  61  11.370   1.294   5.339
  418   1HG   ARG  61          2HG       ARG  61  10.474   1.491   8.206
  419   1HD   ARG  61          2HD       ARG  61  12.142  -0.270   8.566
  420    HE   ARG  61           HE       ARG  61  12.877   2.387   7.920
  421   1HH1  ARG  61          2HH1      ARG  61  14.217  -0.770   8.529
  422   2HH1  ARG  61          1HH1      ARG  61  15.733  -0.158   9.099
  423   1HH2  ARG  61          2HH2      ARG  61  14.870   3.202   8.671
  424   2HH2  ARG  61          1HH2      ARG  61  16.104   2.098   9.179
  425    H    LYS  62           H        LYS  62  10.263   4.737   5.629
  426    HA   LYS  62           HA       LYS  62   9.289   5.662   3.222
  427   1HB   LYS  62          2HB       LYS  62  11.884   6.482   4.542
  428   1HG   LYS  62          2HG       LYS  62   9.491   8.141   4.897
  429   1HD   LYS  62          2HD       LYS  62  11.724   8.587   5.906
  430   1HE   LYS  62          2HE       LYS  62  11.052   6.148   7.549
  431   1HZ   LYS  62          1HZ       LYS  62  13.329   8.040   7.780
  432   2HZ   LYS  62          2HZ       LYS  62  13.149   6.607   8.660
  433   3HZ   LYS  62          3HZ       LYS  62  12.060   7.882   8.888
  434    H    LYS  63           H        LYS  63  11.967   3.556   3.792
  435    HA   LYS  63           HA       LYS  63  13.156   3.981   1.189
  436   1HB   LYS  63          2HB       LYS  63  14.755   2.273   1.857
  437   1HG   LYS  63          2HG       LYS  63  13.062   1.913   4.322
  438   1HD   LYS  63          2HD       LYS  63  15.470   1.851   4.797
  439   1HE   LYS  63          2HE       LYS  63  15.516  -0.368   2.757
  440   1HZ   LYS  63          1HZ       LYS  63  17.870  -0.472   3.259
  441   2HZ   LYS  63          2HZ       LYS  63  16.963  -0.809   4.647
  442   3HZ   LYS  63          3HZ       LYS  63  17.699   0.704   4.464
  443    H    ASP  64           H        ASP  64  10.898   1.815   2.699
  444    HA   ASP  64           HA       ASP  64  11.039  -0.218   0.686
  445   1HB   ASP  64          2HB       ASP  64  10.287  -0.791   2.924
  446    H    LEU  65           H        LEU  65   9.147   2.679   1.207
  447    HA   LEU  65           HA       LEU  65   7.265   2.092  -0.893
  448   1HB   LEU  65          2HB       LEU  65   7.817   4.551   0.753
  449    HG   LEU  65           HG       LEU  65   5.460   2.670   0.668
  450   1HD1  LEU  65          1HD1      LEU  65   5.969   2.373   3.047
  451   2HD1  LEU  65          2HD1      LEU  65   7.311   1.872   2.016
  452   3HD1  LEU  65          3HD1      LEU  65   7.380   3.417   2.865
  453   1HD2  LEU  65          1HD2      LEU  65   4.420   4.140   2.313
  454   2HD2  LEU  65          2HD2      LEU  65   5.763   5.274   2.158
  455   3HD2  LEU  65          3HD2      LEU  65   4.689   4.985   0.789
  456    H    ALA  66           H        ALA  66  10.383   3.532  -0.681
  457    HA   ALA  66           HA       ALA  66  10.233   5.179  -2.994
  458   1HB   ALA  66          1HB       ALA  66  11.903   5.518  -1.231
  459   2HB   ALA  66          2HB       ALA  66  12.663   3.988  -1.664
  460   3HB   ALA  66          3HB       ALA  66  12.652   5.323  -2.815
  461    H    LEU  67           H        LEU  67  10.535   1.793  -2.559
  462    HA   LEU  67           HA       LEU  67  11.666   1.422  -5.235
  463   1HB   LEU  67          2HB       LEU  67  11.128  -0.560  -3.024
  464    HG   LEU  67           HG       LEU  67  13.063   0.883  -2.525
  465   1HD1  LEU  67          1HD1      LEU  67  13.794  -1.927  -3.338
  466   2HD1  LEU  67          2HD1      LEU  67  14.712  -0.902  -2.236
  467   3HD1  LEU  67          3HD1      LEU  67  13.091  -1.436  -1.796
  468   1HD2  LEU  67          1HD2      LEU  67  15.029   0.830  -3.972
  469   2HD2  LEU  67          2HD2      LEU  67  14.146  -0.149  -5.144
  470   3HD2  LEU  67          3HD2      LEU  67  13.636   1.507  -4.815
  471    H    ILE  68           H        ILE  68   9.003   0.030  -3.298
  472    HA   ILE  68           HA       ILE  68   7.672  -1.104  -5.518
  473    HB   ILE  68           HB       ILE  68   5.775  -1.438  -4.032
  474   1HG1  ILE  68          2HG1      ILE  68   7.302   0.349  -2.126
  475   1HG2  ILE  68          1HG2      ILE  68   6.889  -2.748  -2.293
  476   2HG2  ILE  68          2HG2      ILE  68   7.665  -2.965  -3.861
  477   3HG2  ILE  68          3HG2      ILE  68   8.410  -1.926  -2.647
  478   1HD1  ILE  68          1HD1      ILE  68   4.715  -1.110  -1.662
  479   2HD1  ILE  68          2HD1      ILE  68   6.259  -1.477  -0.893
  480   3HD1  ILE  68          3HD1      ILE  68   5.461   0.064  -0.579
  481    H    GLU  69           H        GLU  69   5.562  -0.510  -6.356
  482    HA   GLU  69           HA       GLU  69   5.221   2.414  -6.479
  483   1HB   GLU  69          2HB       GLU  69   5.836   1.142  -8.595
  484   1HG   GLU  69          2HG       GLU  69   4.269   2.296 -10.048
  485    H    LEU  70           H        LEU  70   3.207   3.310  -6.168
  486    HA   LEU  70           HA       LEU  70   1.096   1.447  -5.297
  487   1HB   LEU  70          2HB       LEU  70   1.748   4.216  -4.294
  488    HG   LEU  70           HG       LEU  70   1.767   3.086  -2.051
  489   1HD1  LEU  70          1HD1      LEU  70   1.886   0.584  -3.726
  490   2HD1  LEU  70          2HD1      LEU  70   2.142   0.677  -1.983
  491   3HD1  LEU  70          3HD1      LEU  70   0.562   1.062  -2.665
  492   1HD2  LEU  70          1HD2      LEU  70   3.878   2.033  -3.920
  493   2HD2  LEU  70          2HD2      LEU  70   3.810   3.709  -3.373
  494   3HD2  LEU  70          3HD2      LEU  70   4.035   2.409  -2.204
  495    H    GLU  71           H        GLU  71  -0.984   1.771  -5.999
  496    HA   GLU  71           HA       GLU  71  -1.417   3.976  -7.901
  497   1HB   GLU  71          2HB       GLU  71  -1.058   1.851  -9.109
  498   1HG   GLU  71          2HG       GLU  71  -3.112   1.772 -10.429
  499    H    ALA  72           H        ALA  72  -3.080   5.217  -7.359
  500    HA   ALA  72           HA       ALA  72  -4.647   4.937  -5.122
  501   1HB   ALA  72          1HB       ALA  72  -6.098   6.640  -6.048
  502   2HB   ALA  72          2HB       ALA  72  -4.416   7.018  -6.416
  503   3HB   ALA  72          3HB       ALA  72  -5.461   6.340  -7.665
  504    H    VAL  73           H        VAL  73  -7.178   4.910  -5.266
  505    HA   VAL  73           HA       VAL  73  -7.900   2.391  -6.600
  506    HB   VAL  73           HB       VAL  73  -9.699   2.183  -4.960
  507   1HG1  VAL  73          1HG1      VAL  73  -8.325   1.789  -2.972
  508   2HG1  VAL  73          2HG1      VAL  73  -7.530   1.212  -4.436
  509   3HG1  VAL  73          3HG1      VAL  73  -7.017   2.726  -3.692
  510   1HG2  VAL  73          1HG2      VAL  73 -10.166   4.544  -4.597
  511   2HG2  VAL  73          2HG2      VAL  73  -9.847   3.733  -3.063
  512   3HG2  VAL  73          3HG2      VAL  73  -8.606   4.746  -3.802
  513    H    ALA  74           H        ALA  74 -10.525   2.388  -6.736
  514    HA   ALA  74           HA       ALA  74 -11.178   3.914  -8.952
  515   1HB   ALA  74          1HB       ALA  74 -13.099   2.790  -6.918
  516   2HB   ALA  74          2HB       ALA  74 -13.478   3.241  -8.580
  517   3HB   ALA  74          3HB       ALA  74 -12.389   1.891  -8.259
  518    H    GLN  75           H        GLN  75 -11.338   6.045  -9.128
  519    HA   GLN  75           HA       GLN  75 -12.199   7.617  -6.811
  520   1HB   GLN  75          2HB       GLN  75 -10.970   8.584  -9.399
  521   1HG   GLN  75          2HG       GLN  75  -9.350   7.209  -8.224
  522   1HE2  GLN  75          1HE2      GLN  75  -9.057  10.009  -6.191
  523   2HE2  GLN  75          2HE2      GLN  75  -9.180   9.177  -4.682
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1   1.642  16.495  -3.540
    2   2H    MET   1          2H        MET   1   0.521  16.735  -4.785
    3   3H    MET   1          3H        MET   1   1.681  15.513  -4.917
    4    HA   MET   1           HA       MET   1  -0.507  15.620  -2.926
    5   1HB   MET   1          2HB       MET   1  -0.116  13.774  -5.291
    6   1HG   MET   1          2HG       MET   1  -2.134  15.969  -4.887
    7   1HE   MET   1          1HE       MET   1  -4.221  14.339  -4.963
    8   2HE   MET   1          2HE       MET   1  -4.424  13.065  -6.165
    9   3HE   MET   1          3HE       MET   1  -3.130  12.955  -4.972
   10    H    GLN   2           H        GLN   2  -0.818  13.178  -2.198
   11    HA   GLN   2           HA       GLN   2   1.437  11.515  -1.978
   12   1HB   GLN   2          2HB       GLN   2   2.034  11.896   0.380
   13   1HG   GLN   2          2HG       GLN   2   0.434  14.425   0.223
   14   1HE2  GLN   2          1HE2      GLN   2   0.885  12.316   2.945
   15   2HE2  GLN   2          2HE2      GLN   2   1.906  13.374   3.854
   16    H    PHE   3           H        PHE   3   1.094  10.135   0.260
   17    HA   PHE   3           HA       PHE   3  -1.691   9.229   0.068
   18   1HB   PHE   3          2HB       PHE   3   0.694   7.777   1.232
   19    HD1  PHE   3           1HD      PHE   3  -1.380   6.072  -1.090
   20    HD2  PHE   3           2HD      PHE   3   2.001   8.642  -0.798
   21    HE1  PHE   3           1HE      PHE   3  -0.675   5.394  -3.347
   22    HE2  PHE   3           2HE      PHE   3   2.711   7.968  -3.056
   23    HZ   PHE   3           HZ       PHE   3   1.378   6.348  -4.332
   24    H    THR   4           H        THR   4  -3.029   9.815   1.633
   25    HA   THR   4           HA       THR   4  -1.925  10.360   4.311
   26    HB   THR   4           HB       THR   4  -4.000  11.728   4.667
   27    HG1  THR   4           1HG      THR   4  -5.142  12.329   2.756
   28   1HG2  THR   4          1HG2      THR   4  -3.214  13.646   3.337
   29   2HG2  THR   4          2HG2      THR   4  -2.186  12.561   2.402
   30   3HG2  THR   4          3HG2      THR   4  -1.884  12.797   4.124
   31    HA   PRO   5           HA       PRO   5  -4.350   7.080   5.979
   32   1HB   PRO   5          2HB       PRO   5  -4.861   7.988   8.475
   33   1HG   PRO   5          2HG       PRO   5  -4.358  10.237   8.179
   34   1HD   PRO   5          2HD       PRO   5  -3.152  10.980   6.364
   35    H    ASP   6           H        ASP   6  -6.175   7.321   4.589
   36    HA   ASP   6           HA       ASP   6  -8.623   7.594   5.862
   37   1HB   ASP   6          2HB       ASP   6  -8.192   9.982   5.998
   38    H    SER   7           H        SER   7  -6.854   7.962   2.842
   39    HA   SER   7           HA       SER   7  -9.099   6.777   1.368
   40   1HB   SER   7          2HB       SER   7  -6.569   8.081   0.331
   41    HG   SER   7           HG       SER   7  -7.646   9.861   0.514
   42    H    ALA   8           H        ALA   8  -8.887   4.889   0.195
   43    HA   ALA   8           HA       ALA   8  -6.913   3.035   1.163
   44   1HB   ALA   8          1HB       ALA   8  -8.089   1.394  -0.235
   45   2HB   ALA   8          2HB       ALA   8  -9.200   2.301   0.791
   46   3HB   ALA   8          3HB       ALA   8  -9.066   2.691  -0.923
   47    H    TRP   9           H        TRP   9  -5.737   1.590  -0.434
   48    HA   TRP   9           HA       TRP   9  -5.010   2.860  -2.938
   49   1HB   TRP   9          2HB       TRP   9  -2.890   2.321  -0.852
   50    HD1  TRP   9           HD       TRP   9  -3.443   3.960   1.077
   51    HE1  TRP   9           1HE      TRP   9  -3.797   6.505   1.236
   52    HE3  TRP   9           3HE      TRP   9  -3.651   5.068  -3.911
   53    HZ2  TRP   9           2HZ      TRP   9  -4.123   8.690  -0.517
   54    HZ3  TRP   9           3HZ      TRP   9  -3.987   7.411  -4.584
   55    HH2  TRP   9           HH       TRP   9  -4.219   9.184  -2.921
   56    H    LYS  10           H        LYS  10  -3.165   1.500  -3.996
   57    HA   LYS  10           HA       LYS  10  -3.634  -1.352  -3.427
   58   1HB   LYS  10          2HB       LYS  10  -3.547   0.012  -6.123
   59   1HG   LYS  10          2HG       LYS  10  -5.704  -1.672  -4.868
   60   1HD   LYS  10          2HD       LYS  10  -7.036  -1.001  -6.786
   61   1HE   LYS  10          2HE       LYS  10  -4.379  -2.148  -7.634
   62   1HZ   LYS  10          1HZ       LYS  10  -7.065  -2.417  -8.875
   63   2HZ   LYS  10          2HZ       LYS  10  -5.652  -3.190  -9.389
   64   3HZ   LYS  10          3HZ       LYS  10  -5.782  -1.508  -9.503
   65    H    ILE  11           H        ILE  11  -1.869  -2.640  -3.409
   66    HA   ILE  11           HA       ILE  11   0.714  -1.424  -3.390
   67    HB   ILE  11           HB       ILE  11  -0.035  -4.351  -3.289
   68   1HG1  ILE  11          2HG1      ILE  11   0.641  -2.396  -1.079
   69   1HG2  ILE  11          1HG2      ILE  11   2.264  -4.072  -4.009
   70   2HG2  ILE  11          2HG2      ILE  11   2.579  -2.987  -2.653
   71   3HG2  ILE  11          3HG2      ILE  11   2.214  -4.686  -2.356
   72   1HD1  ILE  11          1HD1      ILE  11   1.442  -4.633  -0.538
   73   2HD1  ILE  11          2HD1      ILE  11   0.069  -4.172   0.467
   74   3HD1  ILE  11          3HD1      ILE  11  -0.159  -5.288  -0.879
   75    H    THR  12           H        THR  12   2.231  -1.340  -4.927
   76    HA   THR  12           HA       THR  12   1.926  -2.977  -7.343
   77    HB   THR  12           HB       THR  12   2.593  -0.033  -7.481
   78    HG1  THR  12           1HG      THR  12   0.442   0.225  -8.218
   79   1HG2  THR  12          1HG2      THR  12   1.906  -2.101  -9.569
   80   2HG2  THR  12          2HG2      THR  12   3.456  -1.290  -9.348
   81   3HG2  THR  12          3HG2      THR  12   2.052  -0.373  -9.888
   82    H    GLY  13           H        GLY  13   3.656  -3.641  -5.394
   83   1HA   GLY  13          1HA       GLY  13   6.184  -2.480  -5.386
   84   2HA   GLY  13          2HA       GLY  13   5.856  -4.168  -5.030
   85    H    PHE  14           H        PHE  14   6.787  -1.873  -7.489
   86    HA   PHE  14           HA       PHE  14   8.035  -4.036  -8.987
   87   1HB   PHE  14          2HB       PHE  14   5.803  -3.769 -10.014
   88    HD1  PHE  14           1HD      PHE  14   6.773  -5.483 -11.380
   89    HD2  PHE  14           2HD      PHE  14   7.763  -1.389 -11.991
   90    HE1  PHE  14           1HE      PHE  14   7.781  -6.053 -13.551
   91    HE2  PHE  14           2HE      PHE  14   8.774  -1.953 -14.162
   92    HZ   PHE  14           HZ       PHE  14   8.782  -4.290 -14.945
   93    H    SER  15           H        SER  15  10.055  -3.241  -8.514
   94    HA   SER  15           HA       SER  15  10.644  -0.470  -9.281
   95   1HB   SER  15          2HB       SER  15  12.397  -2.393  -7.739
   96    HG   SER  15           HG       SER  15  10.546  -1.917  -6.530
   97    H    ARG  16           H        ARG  16  12.673  -0.050 -10.420
   98    HA   ARG  16           HA       ARG  16  12.882  -1.577 -12.770
   99   1HB   ARG  16          2HB       ARG  16  14.588  -0.086 -13.442
  100   1HG   ARG  16          2HG       ARG  16  16.103  -0.277 -11.528
  101   1HD   ARG  16          2HD       ARG  16  14.508  -0.080  -9.704
  102    HE   ARG  16           HE       ARG  16  13.512   2.152 -10.963
  103   1HH1  ARG  16          2HH1      ARG  16  14.670   1.357  -7.778
  104   2HH1  ARG  16          1HH1      ARG  16  13.648   2.502  -6.976
  105   1HH2  ARG  16          2HH2      ARG  16  12.161   3.667  -9.921
  106   2HH2  ARG  16          1HH2      ARG  16  12.219   3.817  -8.196
  107    H    ASP  17           H        ASP  17  14.293  -2.031  -9.683
  108    HA   ASP  17           HA       ASP  17  15.736  -4.341 -10.663
  109   1HB   ASP  17          2HB       ASP  17  17.867  -3.670  -9.585
  110    H    ILE  18           H        ILE  18  13.463  -3.924  -8.918
  111    HA   ILE  18           HA       ILE  18  13.900  -3.985  -6.222
  112    HB   ILE  18           HB       ILE  18  11.659  -4.100  -7.230
  113   1HG1  ILE  18          2HG1      ILE  18  12.268  -6.350  -5.300
  114   1HG2  ILE  18          1HG2      ILE  18  12.148  -5.725  -8.985
  115   2HG2  ILE  18          2HG2      ILE  18  12.324  -6.990  -7.768
  116   3HG2  ILE  18          3HG2      ILE  18  10.757  -6.220  -8.019
  117   1HD1  ILE  18          1HD1      ILE  18   9.671  -4.905  -5.769
  118   2HD1  ILE  18          2HD1      ILE  18  10.013  -6.587  -6.174
  119   3HD1  ILE  18          3HD1      ILE  18   9.995  -6.073  -4.488
  120    H    SER  19           H        SER  19  14.896  -5.287  -4.814
  121    HA   SER  19           HA       SER  19  16.170  -7.704  -5.806
  122   1HB   SER  19          2HB       SER  19  17.305  -7.711  -3.587
  123    HG   SER  19           HG       SER  19  15.582  -6.636  -2.447
  124    HA   PRO  20           HA       PRO  20  13.362 -10.633  -4.108
  125   1HB   PRO  20          2HB       PRO  20  15.040 -12.531  -3.093
  126   1HG   PRO  20          2HG       PRO  20  17.041 -11.369  -3.223
  127   1HD   PRO  20          2HD       PRO  20  17.258  -9.442  -4.477
  128    H    ALA  21           H        ALA  21  15.938  -9.477  -2.015
  129    HA   ALA  21           HA       ALA  21  15.250 -10.488   0.432
  130   1HB   ALA  21          1HB       ALA  21  16.120  -7.659  -0.162
  131   2HB   ALA  21          2HB       ALA  21  16.184  -8.442   1.418
  132   3HB   ALA  21          3HB       ALA  21  17.180  -9.046   0.094
  133    H    TYR  22           H        TYR  22  13.861  -7.619  -1.133
  134    HA   TYR  22           HA       TYR  22  11.850  -7.366   0.945
  135   1HB   TYR  22          2HB       TYR  22  12.864  -5.339  -0.027
  136    HD1  TYR  22           1HD      TYR  22   9.802  -5.683  -2.038
  137    HD2  TYR  22           2HD      TYR  22  11.457  -4.355   1.648
  138    HE1  TYR  22           1HE      TYR  22   7.711  -4.492  -1.536
  139    HE2  TYR  22           2HE      TYR  22   9.371  -3.160   2.162
  140    HH   TYR  22           HH       TYR  22   6.497  -3.662   0.466
  141    H    ARG  23           H        ARG  23  11.985  -8.092  -2.524
  142    HA   ARG  23           HA       ARG  23   9.267  -8.396  -3.011
  143   1HB   ARG  23          2HB       ARG  23  10.952  -8.343  -4.785
  144   1HG   ARG  23          2HG       ARG  23  10.215 -10.238  -6.186
  145   1HD   ARG  23          2HD       ARG  23   7.905  -9.035  -4.676
  146    HE   ARG  23           HE       ARG  23   7.791 -10.652  -6.832
  147   1HH1  ARG  23          2HH1      ARG  23   7.153  -7.260  -6.373
  148   2HH1  ARG  23          1HH1      ARG  23   5.968  -7.180  -7.632
  149   1HH2  ARG  23          2HH2      ARG  23   6.236 -10.559  -8.494
  150   2HH2  ARG  23          1HH2      ARG  23   5.447  -9.058  -8.840
  151    H    GLN  24           H        GLN  24  11.631 -10.966  -2.255
  152    HA   GLN  24           HA       GLN  24   9.995 -13.144  -2.147
  153   1HB   GLN  24          2HB       GLN  24  12.397 -13.294  -1.804
  154   1HG   GLN  24          2HG       GLN  24  10.894 -14.345   0.581
  155   1HE2  GLN  24          1HE2      GLN  24  12.590 -14.115   2.028
  156   2HE2  GLN  24          2HE2      GLN  24  14.037 -15.049   1.908
  157    H    LYS  25           H        LYS  25  10.257 -10.585   0.245
  158    HA   LYS  25           HA       LYS  25   8.820 -11.879   2.310
  159   1HB   LYS  25          2HB       LYS  25   9.255  -8.945   1.736
  160   1HG   LYS  25          2HG       LYS  25  10.532 -10.719   3.804
  161   1HD   LYS  25          2HD       LYS  25  11.161  -7.888   2.972
  162   1HE   LYS  25          2HE       LYS  25  13.096  -9.189   3.757
  163   1HZ   LYS  25          1HZ       LYS  25  11.547  -9.487   6.273
  164   2HZ   LYS  25          2HZ       LYS  25  13.160  -9.937   6.043
  165   3HZ   LYS  25          3HZ       LYS  25  11.930 -10.742   5.204
  166    H    LEU  26           H        LEU  26   7.848 -10.163  -0.550
  167    HA   LEU  26           HA       LEU  26   5.133  -9.740   0.291
  168   1HB   LEU  26          2HB       LEU  26   6.358  -9.634  -2.467
  169    HG   LEU  26           HG       LEU  26   7.332  -7.914  -0.983
  170   1HD1  LEU  26          1HD1      LEU  26   6.796  -5.990  -2.394
  171   2HD1  LEU  26          2HD1      LEU  26   7.038  -7.450  -3.353
  172   3HD1  LEU  26          3HD1      LEU  26   5.405  -6.856  -3.048
  173   1HD2  LEU  26          1HD2      LEU  26   5.877  -6.122  -0.129
  174   2HD2  LEU  26          2HD2      LEU  26   4.464  -7.039  -0.652
  175   3HD2  LEU  26          3HD2      LEU  26   5.518  -7.684   0.607
  176    H    LEU  27           H        LEU  27   6.649 -11.856  -2.140
  177    HA   LEU  27           HA       LEU  27   4.472 -13.283  -2.973
  178   1HB   LEU  27          2HB       LEU  27   7.208 -14.439  -2.444
  179    HG   LEU  27           HG       LEU  27   7.417 -12.442  -3.868
  180   1HD1  LEU  27          1HD1      LEU  27   7.728 -15.044  -5.359
  181   2HD1  LEU  27          2HD1      LEU  27   8.519 -13.520  -5.763
  182   3HD1  LEU  27          3HD1      LEU  27   8.899 -14.335  -4.245
  183   1HD2  LEU  27          1HD2      LEU  27   5.450 -13.873  -5.651
  184   2HD2  LEU  27          2HD2      LEU  27   5.168 -12.369  -4.773
  185   3HD2  LEU  27          3HD2      LEU  27   6.351 -12.418  -6.080
  186    H    SER  28           H        SER  28   6.171 -13.554   0.060
  187    HA   SER  28           HA       SER  28   4.993 -16.051   0.822
  188   1HB   SER  28          2HB       SER  28   5.975 -15.601   3.031
  189    HG   SER  28           HG       SER  28   6.409 -13.042   1.918
  190    H    LEU  29           H        LEU  29   4.182 -12.674   1.225
  191    HA   LEU  29           HA       LEU  29   2.035 -13.288   3.089
  192   1HB   LEU  29          2HB       LEU  29   2.868 -10.659   1.864
  193    HG   LEU  29           HG       LEU  29   4.623 -11.436   3.363
  194   1HD1  LEU  29          1HD1      LEU  29   4.073  -9.058   3.349
  195   2HD1  LEU  29          2HD1      LEU  29   2.895  -9.320   4.637
  196   3HD1  LEU  29          3HD1      LEU  29   4.613  -9.582   4.945
  197   1HD2  LEU  29          1HD2      LEU  29   3.305 -13.028   4.665
  198   2HD2  LEU  29          2HD2      LEU  29   4.159 -11.898   5.714
  199   3HD2  LEU  29          3HD2      LEU  29   2.432 -11.696   5.422
  200    H    GLY  30           H        GLY  30   2.510 -12.764  -0.288
  201   1HA   GLY  30          1HA       GLY  30   0.925 -13.344  -1.934
  202   2HA   GLY  30          2HA       GLY  30  -0.347 -13.188  -0.732
  203    H    MET  31           H        MET  31   2.105 -10.744  -1.189
  204    HA   MET  31           HA       MET  31   0.016  -8.937  -2.203
  205   1HB   MET  31          2HB       MET  31   2.564  -8.284  -0.709
  206   1HG   MET  31          2HG       MET  31  -0.295  -7.994   0.186
  207   1HE   MET  31          1HE       MET  31   0.557  -7.009   3.903
  208   2HE   MET  31          2HE       MET  31  -0.750  -7.297   2.754
  209   3HE   MET  31          3HE       MET  31   0.325  -8.616   3.216
  210    H    LEU  32           H        LEU  32   0.253  -9.344  -4.391
  211    HA   LEU  32           HA       LEU  32   2.885  -8.784  -5.570
  212   1HB   LEU  32          2HB       LEU  32   0.456 -10.193  -6.665
  213    HG   LEU  32           HG       LEU  32   3.269 -11.197  -6.209
  214   1HD1  LEU  32          1HD1      LEU  32   2.115 -12.799  -4.686
  215   2HD1  LEU  32          2HD1      LEU  32   2.091 -11.124  -4.133
  216   3HD1  LEU  32          3HD1      LEU  32   0.652 -11.832  -4.865
  217   1HD2  LEU  32          1HD2      LEU  32   2.301 -12.095  -8.260
  218   2HD2  LEU  32          2HD2      LEU  32   2.415 -13.339  -7.015
  219   3HD2  LEU  32          3HD2      LEU  32   0.860 -12.589  -7.373
  220    HA   PRO  33           HA       PRO  33   1.930  -4.923  -7.430
  221   1HB   PRO  33          2HB       PRO  33   2.162  -6.261 -10.093
  222   1HG   PRO  33          2HG       PRO  33   4.305  -7.051  -9.680
  223   1HD   PRO  33          2HD       PRO  33   3.194  -8.539  -8.339
  224    H    GLY  34           H        GLY  34  -0.125  -4.258  -7.254
  225   1HA   GLY  34          1HA       GLY  34  -2.150  -3.760  -8.497
  226   2HA   GLY  34          2HA       GLY  34  -2.107  -5.404  -9.116
  227    H    SER  35           H        SER  35  -1.346  -4.991  -5.790
  228    HA   SER  35           HA       SER  35  -3.834  -6.333  -5.070
  229   1HB   SER  35          2HB       SER  35  -1.731  -7.287  -4.238
  230    HG   SER  35           HG       SER  35  -2.288  -6.946  -1.869
  231    H    SER  36           H        SER  36  -4.716  -5.659  -2.821
  232    HA   SER  36           HA       SER  36  -4.924  -2.718  -2.787
  233   1HB   SER  36          2HB       SER  36  -7.030  -4.755  -2.022
  234    HG   SER  36           HG       SER  36  -6.615  -4.418  -4.321
  235    H    PHE  37           H        PHE  37  -5.201  -1.691  -0.751
  236    HA   PHE  37           HA       PHE  37  -4.999  -3.137   1.702
  237   1HB   PHE  37          2HB       PHE  37  -2.799  -2.508   2.389
  238    HD1  PHE  37           1HD      PHE  37  -1.980  -0.360   2.793
  239    HD2  PHE  37           2HD      PHE  37  -2.454  -1.714  -1.214
  240    HE1  PHE  37           1HE      PHE  37  -0.796   1.640   1.983
  241    HE2  PHE  37           2HE      PHE  37  -1.269   0.283  -2.032
  242    HZ   PHE  37           HZ       PHE  37  -0.423   1.959  -0.416
  243    H    HIS  38           H        HIS  38  -4.843  -1.643   3.585
  244    HA   HIS  38           HA       HIS  38  -5.965   0.992   2.889
  245   1HB   HIS  38          2HB       HIS  38  -7.630  -0.412   3.969
  246    HD1  HIS  38           1HD      HIS  38  -6.900   0.656   7.295
  247    HD2  HIS  38           2HD      HIS  38  -8.200   2.538   3.828
  248    HE1  HIS  38           1HE      HIS  38  -7.928   2.823   8.052
  249    HE2  HIS  38           2HE      HIS  38  -8.800   3.894   5.946
  250    H    VAL  39           H        VAL  39  -4.648   2.620   3.311
  251    HA   VAL  39           HA       VAL  39  -2.278   2.370   4.836
  252    HB   VAL  39           HB       VAL  39  -2.490   3.996   3.012
  253   1HG1  VAL  39          1HG1      VAL  39  -4.797   4.661   3.313
  254   2HG1  VAL  39          2HG1      VAL  39  -4.408   5.410   4.862
  255   3HG1  VAL  39          3HG1      VAL  39  -3.755   6.083   3.369
  256   1HG2  VAL  39          1HG2      VAL  39  -1.960   5.274   5.694
  257   2HG2  VAL  39          2HG2      VAL  39  -0.797   4.367   4.726
  258   3HG2  VAL  39          3HG2      VAL  39  -1.431   5.903   4.133
  259    H    VAL  40           H        VAL  40  -1.805   2.893   6.915
  260    HA   VAL  40           HA       VAL  40  -4.076   3.508   8.656
  261    HB   VAL  40           HB       VAL  40  -1.298   2.583   9.402
  262   1HG1  VAL  40          1HG1      VAL  40  -3.811   2.862  11.048
  263   2HG1  VAL  40          2HG1      VAL  40  -2.308   2.119  11.599
  264   3HG1  VAL  40          3HG1      VAL  40  -2.347   3.834  11.192
  265   1HG2  VAL  40          1HG2      VAL  40  -3.888   1.044   9.212
  266   2HG2  VAL  40          2HG2      VAL  40  -2.498   0.882   8.138
  267   3HG2  VAL  40          3HG2      VAL  40  -2.361   0.414   9.833
  268    H    ARG  41           H        ARG  41  -0.731   4.578   8.072
  269    HA   ARG  41           HA       ARG  41  -1.436   7.301   8.620
  270   1HB   ARG  41          2HB       ARG  41   0.157   7.591  10.505
  271   1HG   ARG  41          2HG       ARG  41   0.145   4.581  10.600
  272   1HD   ARG  41          2HD       ARG  41   1.376   6.608  12.463
  273    HE   ARG  41           HE       ARG  41   2.007   3.869  12.115
  274   1HH1  ARG  41          2HH1      ARG  41   1.446   6.270  14.576
  275   2HH1  ARG  41          1HH1      ARG  41   2.444   5.485  15.754
  276   1HH2  ARG  41          2HH2      ARG  41   3.324   2.827  13.658
  277   2HH2  ARG  41          1HH2      ARG  41   3.513   3.525  15.231
  278    H    VAL  42           H        VAL  42  -0.049   8.705   7.675
  279    HA   VAL  42           HA       VAL  42   2.615   7.804   6.895
  280    HB   VAL  42           HB       VAL  42   0.729   8.972   4.849
  281   1HG1  VAL  42          1HG1      VAL  42   3.481   7.761   4.651
  282   2HG1  VAL  42          2HG1      VAL  42   2.477   8.200   3.268
  283   3HG1  VAL  42          3HG1      VAL  42   3.037   9.447   4.381
  284   1HG2  VAL  42          1HG2      VAL  42  -0.038   6.740   5.507
  285   2HG2  VAL  42          2HG2      VAL  42   0.599   6.747   3.863
  286   3HG2  VAL  42          3HG2      VAL  42   1.570   6.095   5.180
  287    H    ALA  43           H        ALA  43   3.981   9.569   6.120
  288    HA   ALA  43           HA       ALA  43   3.061  12.202   7.077
  289   1HB   ALA  43          1HB       ALA  43   4.696  11.213   8.609
  290   2HB   ALA  43          2HB       ALA  43   5.850  11.074   7.282
  291   3HB   ALA  43          3HB       ALA  43   5.327  12.665   7.833
  292    HA   PRO  44           HA       PRO  44   4.217  13.803   3.131
  293   1HB   PRO  44          2HB       PRO  44   4.789  16.366   3.710
  294   1HG   PRO  44          2HG       PRO  44   5.154  16.203   5.996
  295   1HD   PRO  44          2HD       PRO  44   4.518  14.343   7.178
  296    H    LEU  45           H        LEU  45   6.504  14.152   5.764
  297    HA   LEU  45           HA       LEU  45   8.684  14.781   3.938
  298   1HB   LEU  45          2HB       LEU  45   8.529  15.935   6.109
  299    HG   LEU  45           HG       LEU  45  10.951  14.132   5.987
  300   1HD1  LEU  45          1HD1      LEU  45  10.515  16.915   4.915
  301   2HD1  LEU  45          2HD1      LEU  45  12.027  16.007   4.869
  302   3HD1  LEU  45          3HD1      LEU  45  10.630  15.443   3.951
  303   1HD2  LEU  45          1HD2      LEU  45  12.031  15.856   7.343
  304   2HD2  LEU  45          2HD2      LEU  45  10.502  16.728   7.456
  305   3HD2  LEU  45          3HD2      LEU  45  10.664  15.134   8.190
  306    H    GLY  46           H        GLY  46   7.919  12.263   6.348
  307   1HA   GLY  46          1HA       GLY  46   8.487  10.028   4.933
  308   2HA   GLY  46          2HA       GLY  46  10.082  10.587   5.416
  309    H    ASP  47           H        ASP  47   7.476   8.691   6.276
  310    HA   ASP  47           HA       ASP  47   8.601   8.243   8.919
  311   1HB   ASP  47          2HB       ASP  47   5.790   9.194   8.423
  312    HA   PRO  48           HA       PRO  48   7.302   4.093   8.145
  313   1HB   PRO  48          2HB       PRO  48   6.567   3.457  10.835
  314   1HG   PRO  48          2HG       PRO  48   7.698   4.951  12.126
  315   1HD   PRO  48          2HD       PRO  48   6.519   6.601  11.012
  316    H    VAL  49           H        VAL  49   5.511   3.577   7.096
  317    HA   VAL  49           HA       VAL  49   2.903   4.137   8.328
  318    HB   VAL  49           HB       VAL  49   3.070   5.241   6.237
  319   1HG1  VAL  49          1HG1      VAL  49   4.092   2.631   5.135
  320   2HG1  VAL  49          2HG1      VAL  49   3.650   4.021   4.144
  321   3HG1  VAL  49          3HG1      VAL  49   4.976   4.149   5.301
  322   1HG2  VAL  49          1HG2      VAL  49   1.532   2.679   5.797
  323   2HG2  VAL  49          2HG2      VAL  49   0.925   4.133   6.586
  324   3HG2  VAL  49          3HG2      VAL  49   1.338   4.167   4.871
  325    H    HIS  50           H        HIS  50   1.231   2.565   8.163
  326    HA   HIS  50           HA       HIS  50   2.220  -0.201   7.888
  327   1HB   HIS  50          2HB       HIS  50   0.119   0.847   9.799
  328    HD1  HIS  50           1HD      HIS  50   2.229  -1.617  11.278
  329    HD2  HIS  50           2HD      HIS  50   2.526   2.470  10.601
  330    HE1  HIS  50           1HE      HIS  50   4.003  -0.801  12.862
  331    HE2  HIS  50           2HE      HIS  50   4.229   1.659  12.371
  332    H    ILE  51           H        ILE  51   0.949  -1.669   6.809
  333    HA   ILE  51           HA       ILE  51  -1.418  -0.554   5.451
  334    HB   ILE  51           HB       ILE  51  -0.994  -2.143   3.630
  335   1HG1  ILE  51          2HG1      ILE  51   1.554  -2.784   5.130
  336   1HG2  ILE  51          1HG2      ILE  51  -0.090   0.111   3.472
  337   2HG2  ILE  51          2HG2      ILE  51   1.382  -0.409   4.291
  338   3HG2  ILE  51          3HG2      ILE  51   0.987  -1.050   2.697
  339   1HD1  ILE  51          1HD1      ILE  51   1.952  -4.456   3.438
  340   2HD1  ILE  51          2HD1      ILE  51   0.490  -3.969   2.580
  341   3HD1  ILE  51          3HD1      ILE  51   1.853  -2.858   2.701
  342    H    GLU  52           H        GLU  52  -3.310  -1.638   5.532
  343    HA   GLU  52           HA       GLU  52  -3.356  -4.132   7.095
  344   1HB   GLU  52          2HB       GLU  52  -4.578  -2.241   8.100
  345   1HG   GLU  52          2HG       GLU  52  -6.513  -4.294   7.054
  346    H    THR  53           H        THR  53  -3.635  -5.906   5.919
  347    HA   THR  53           HA       THR  53  -5.439  -5.777   3.597
  348    HB   THR  53           HB       THR  53  -3.989  -7.214   2.307
  349    HG1  THR  53           1HG      THR  53  -1.994  -7.076   4.303
  350   1HG2  THR  53          1HG2      THR  53  -3.541  -4.791   2.229
  351   2HG2  THR  53          2HG2      THR  53  -2.082  -5.745   1.965
  352   3HG2  THR  53          3HG2      THR  53  -2.364  -4.981   3.528
  353    H    ARG  54           H        ARG  54  -5.377  -8.413   2.844
  354    HA   ARG  54           HA       ARG  54  -7.291  -9.654   4.280
  355   1HB   ARG  54          2HB       ARG  54  -4.991 -10.996   2.854
  356   1HG   ARG  54          2HG       ARG  54  -6.315  -9.500   1.418
  357   1HD   ARG  54          2HD       ARG  54  -8.611 -11.329   2.098
  358    HE   ARG  54           HE       ARG  54  -8.282  -9.730  -0.136
  359   1HH1  ARG  54          2HH1      ARG  54 -10.557 -10.072   2.478
  360   2HH1  ARG  54          1HH1      ARG  54 -11.908  -9.509   1.550
  361   1HH2  ARG  54          2HH2      ARG  54 -10.054  -8.985  -1.368
  362   2HH2  ARG  54          1HH2      ARG  54 -11.621  -8.892  -0.637
  363    H    ARG  55           H        ARG  55  -7.143  -9.500   6.485
  364    HA   ARG  55           HA       ARG  55  -6.421  -9.888   8.611
  365   1HB   ARG  55          2HB       ARG  55  -5.940 -12.628   7.429
  366   1HG   ARG  55          2HG       ARG  55  -8.472 -11.498   8.612
  367   1HD   ARG  55          2HD       ARG  55  -8.179 -13.855   9.130
  368    HE   ARG  55           HE       ARG  55  -7.047 -14.101   6.583
  369   1HH1  ARG  55          2HH1      ARG  55  -9.300 -15.768   8.653
  370   2HH1  ARG  55          1HH1      ARG  55  -8.939 -17.332   8.002
  371   1HH2  ARG  55          2HH2      ARG  55  -6.564 -16.157   5.721
  372   2HH2  ARG  55          1HH2      ARG  55  -7.384 -17.554   6.338
  373    H    VAL  56           H        VAL  56  -4.390  -8.558   7.534
  374    HA   VAL  56           HA       VAL  56  -2.145  -9.493   8.982
  375    HB   VAL  56           HB       VAL  56  -1.940 -11.045   7.088
  376   1HG1  VAL  56          1HG1      VAL  56  -3.022  -9.519   5.424
  377   2HG1  VAL  56          2HG1      VAL  56  -1.504  -8.625   5.355
  378   3HG1  VAL  56          3HG1      VAL  56  -1.555 -10.314   4.855
  379   1HG2  VAL  56          1HG2      VAL  56   0.389 -10.522   6.491
  380   2HG2  VAL  56          2HG2      VAL  56   0.184  -8.906   7.167
  381   3HG2  VAL  56          3HG2      VAL  56   0.080 -10.321   8.217
  382    H    SER  57           H        SER  57  -1.370  -7.656   9.738
  383    HA   SER  57           HA       SER  57  -1.414  -5.266   8.029
  384   1HB   SER  57          2HB       SER  57  -2.596  -5.051  10.181
  385    HG   SER  57           HG       SER  57  -0.161  -3.596  10.067
  386    H    LEU  58           H        LEU  58   0.439  -5.031   6.961
  387    HA   LEU  58           HA       LEU  58   2.955  -5.766   8.272
  388   1HB   LEU  58          2HB       LEU  58   2.473  -6.715   6.045
  389    HG   LEU  58           HG       LEU  58   4.778  -4.765   5.955
  390   1HD1  LEU  58          1HD1      LEU  58   4.910  -6.282   7.854
  391   2HD1  LEU  58          2HD1      LEU  58   4.669  -7.662   6.782
  392   3HD1  LEU  58          3HD1      LEU  58   6.129  -6.681   6.644
  393   1HD2  LEU  58          1HD2      LEU  58   5.693  -6.287   4.257
  394   2HD2  LEU  58          2HD2      LEU  58   4.192  -7.213   4.293
  395   3HD2  LEU  58          3HD2      LEU  58   4.184  -5.539   3.732
  396    H    VAL  59           H        VAL  59   4.811  -4.335   8.051
  397    HA   VAL  59           HA       VAL  59   3.994  -1.512   8.179
  398    HB   VAL  59           HB       VAL  59   5.019  -2.409  10.232
  399   1HG1  VAL  59          1HG1      VAL  59   7.437  -2.840   8.482
  400   2HG1  VAL  59          2HG1      VAL  59   7.417  -2.969  10.240
  401   3HG1  VAL  59          3HG1      VAL  59   6.470  -4.090   9.262
  402   1HG2  VAL  59          1HG2      VAL  59   5.253  -0.045   9.730
  403   2HG2  VAL  59          2HG2      VAL  59   6.710  -0.647  10.522
  404   3HG2  VAL  59          3HG2      VAL  59   6.704  -0.371   8.780
  405    H    LEU  60           H        LEU  60   5.346   0.097   7.234
  406    HA   LEU  60           HA       LEU  60   7.377  -0.808   5.343
  407   1HB   LEU  60          2HB       LEU  60   4.960   0.816   4.549
  408    HG   LEU  60           HG       LEU  60   4.525  -1.618   4.535
  409   1HD1  LEU  60          1HD1      LEU  60   3.428  -0.172   2.906
  410   2HD1  LEU  60          2HD1      LEU  60   4.783  -0.377   1.798
  411   3HD1  LEU  60          3HD1      LEU  60   3.770  -1.758   2.217
  412   1HD2  LEU  60          1HD2      LEU  60   6.782  -1.727   2.535
  413   2HD2  LEU  60          2HD2      LEU  60   6.852  -2.343   4.187
  414   3HD2  LEU  60          3HD2      LEU  60   5.744  -3.067   3.020
  415    H    ARG  61           H        ARG  61   9.110   0.413   5.642
  416    HA   ARG  61           HA       ARG  61   8.967   2.903   7.059
  417   1HB   ARG  61          2HB       ARG  61  11.310   1.540   5.720
  418   1HG   ARG  61          2HG       ARG  61  10.350   0.220   7.569
  419   1HD   ARG  61          2HD       ARG  61   9.412   2.051   8.885
  420    HE   ARG  61           HE       ARG  61  11.803   3.329   8.679
  421   1HH1  ARG  61          2HH1      ARG  61   9.834   2.251  11.341
  422   2HH1  ARG  61          1HH1      ARG  61  10.360   3.508  12.410
  423   1HH2  ARG  61          2HH2      ARG  61  12.504   4.990  10.079
  424   2HH2  ARG  61          1HH2      ARG  61  11.878   5.065  11.692
  425    H    LYS  62           H        LYS  62  10.769   4.560   5.979
  426    HA   LYS  62           HA       LYS  62   9.329   5.712   3.789
  427   1HB   LYS  62          2HB       LYS  62  11.982   6.530   4.985
  428   1HG   LYS  62          2HG       LYS  62   9.556   8.089   5.565
  429   1HD   LYS  62          2HD       LYS  62  11.829   8.623   6.424
  430   1HE   LYS  62          2HE       LYS  62  11.418   6.095   8.019
  431   1HZ   LYS  62          1HZ       LYS  62  13.615   8.089   8.151
  432   2HZ   LYS  62          2HZ       LYS  62  13.540   6.638   9.016
  433   3HZ   LYS  62          3HZ       LYS  62  12.424   7.868   9.330
  434    H    LYS  63           H        LYS  63  12.185   3.752   4.122
  435    HA   LYS  63           HA       LYS  63  13.118   4.299   1.441
  436   1HB   LYS  63          2HB       LYS  63  14.824   2.563   1.943
  437   1HG   LYS  63          2HG       LYS  63  13.532   2.455   4.660
  438   1HD   LYS  63          2HD       LYS  63  15.288   0.924   5.246
  439   1HE   LYS  63          2HE       LYS  63  16.491   3.352   3.920
  440   1HZ   LYS  63          1HZ       LYS  63  17.453   1.759   6.235
  441   2HZ   LYS  63          2HZ       LYS  63  18.189   3.142   5.599
  442   3HZ   LYS  63          3HZ       LYS  63  18.125   1.723   4.683
  443    H    ASP  64           H        ASP  64  11.335   1.776   3.119
  444    HA   ASP  64           HA       ASP  64  11.403  -0.176   1.101
  445   1HB   ASP  64          2HB       ASP  64   9.320   0.387   3.220
  446    H    LEU  65           H        LEU  65   9.469   2.697   1.508
  447    HA   LEU  65           HA       LEU  65   7.535   2.029  -0.492
  448   1HB   LEU  65          2HB       LEU  65   8.232   4.491   1.063
  449    HG   LEU  65           HG       LEU  65   6.691   2.695   2.018
  450   1HD1  LEU  65          1HD1      LEU  65   6.765   4.888   2.984
  451   2HD1  LEU  65          2HD1      LEU  65   5.752   5.541   1.696
  452   3HD1  LEU  65          3HD1      LEU  65   5.077   4.395   2.855
  453   1HD2  LEU  65          1HD2      LEU  65   5.475   2.211  -0.051
  454   2HD2  LEU  65          2HD2      LEU  65   4.383   2.729   1.234
  455   3HD2  LEU  65          3HD2      LEU  65   4.826   3.850  -0.054
  456    H    ALA  66           H        ALA  66  10.671   3.483  -0.454
  457    HA   ALA  66           HA       ALA  66  10.555   4.990  -2.820
  458   1HB   ALA  66          1HB       ALA  66  12.365   5.193  -1.188
  459   2HB   ALA  66          2HB       ALA  66  12.931   3.577  -1.614
  460   3HB   ALA  66          3HB       ALA  66  12.990   4.874  -2.806
  461    H    LEU  67           H        LEU  67  10.987   1.563  -2.264
  462    HA   LEU  67           HA       LEU  67  11.719   1.071  -5.032
  463   1HB   LEU  67          2HB       LEU  67  11.260  -0.819  -2.727
  464    HG   LEU  67           HG       LEU  67  13.317   0.460  -2.411
  465   1HD1  LEU  67          1HD1      LEU  67  13.284  -1.896  -1.768
  466   2HD1  LEU  67          2HD1      LEU  67  13.845  -2.346  -3.379
  467   3HD1  LEU  67          3HD1      LEU  67  14.886  -1.400  -2.315
  468   1HD2  LEU  67          1HD2      LEU  67  13.691   1.133  -4.724
  469   2HD2  LEU  67          2HD2      LEU  67  15.122   0.344  -4.061
  470   3HD2  LEU  67          3HD2      LEU  67  14.059  -0.535  -5.162
  471    H    ILE  68           H        ILE  68   9.127  -0.084  -2.852
  472    HA   ILE  68           HA       ILE  68   7.577  -1.210  -4.927
  473    HB   ILE  68           HB       ILE  68   5.766  -1.355  -3.314
  474   1HG1  ILE  68          2HG1      ILE  68   7.520   0.357  -1.539
  475   1HG2  ILE  68          1HG2      ILE  68   7.554  -2.994  -3.184
  476   2HG2  ILE  68          2HG2      ILE  68   8.455  -1.947  -2.088
  477   3HG2  ILE  68          3HG2      ILE  68   6.918  -2.644  -1.577
  478   1HD1  ILE  68          1HD1      ILE  68   4.754  -0.659  -0.961
  479   2HD1  ILE  68          2HD1      ILE  68   6.227  -1.372  -0.305
  480   3HD1  ILE  68          3HD1      ILE  68   5.796   0.290   0.098
  481    H    GLU  69           H        GLU  69   5.656  -0.489  -5.892
  482    HA   GLU  69           HA       GLU  69   5.386   2.442  -5.950
  483   1HB   GLU  69          2HB       GLU  69   6.034   1.190  -8.074
  484   1HG   GLU  69          2HG       GLU  69   4.505   2.407  -9.548
  485    H    LEU  70           H        LEU  70   3.290   3.361  -6.014
  486    HA   LEU  70           HA       LEU  70   1.171   1.574  -5.012
  487   1HB   LEU  70          2HB       LEU  70   1.770   4.441  -4.293
  488    HG   LEU  70           HG       LEU  70   1.627   3.574  -1.942
  489   1HD1  LEU  70          1HD1      LEU  70   0.428   1.504  -2.419
  490   2HD1  LEU  70          2HD1      LEU  70   1.826   0.896  -3.308
  491   3HD1  LEU  70          3HD1      LEU  70   1.944   1.189  -1.572
  492   1HD2  LEU  70          1HD2      LEU  70   3.840   2.277  -3.512
  493   2HD2  LEU  70          2HD2      LEU  70   3.763   4.013  -3.211
  494   3HD2  LEU  70          3HD2      LEU  70   3.888   2.890  -1.860
  495    H    GLU  71           H        GLU  71  -0.942   1.930  -5.731
  496    HA   GLU  71           HA       GLU  71  -1.300   3.879  -7.892
  497   1HB   GLU  71          2HB       GLU  71  -0.773   1.755  -8.976
  498   1HG   GLU  71          2HG       GLU  71  -3.716   2.354  -9.166
  499    H    ALA  72           H        ALA  72  -3.378   4.674  -8.124
  500    HA   ALA  72           HA       ALA  72  -4.968   4.905  -5.878
  501   1HB   ALA  72          1HB       ALA  72  -5.103   6.435  -7.773
  502   2HB   ALA  72          2HB       ALA  72  -5.828   5.163  -8.759
  503   3HB   ALA  72          3HB       ALA  72  -6.697   5.800  -7.362
  504    H    VAL  73           H        VAL  73  -7.383   4.267  -5.854
  505    HA   VAL  73           HA       VAL  73  -7.485   1.358  -6.152
  506    HB   VAL  73           HB       VAL  73  -9.429   1.432  -4.671
  507   1HG1  VAL  73          1HG1      VAL  73  -7.203   1.269  -3.688
  508   2HG1  VAL  73          2HG1      VAL  73  -7.096   3.027  -3.617
  509   3HG1  VAL  73          3HG1      VAL  73  -8.293   2.177  -2.638
  510   1HG2  VAL  73          1HG2      VAL  73 -10.145   3.520  -3.630
  511   2HG2  VAL  73          2HG2      VAL  73  -8.985   4.417  -4.611
  512   3HG2  VAL  73          3HG2      VAL  73 -10.338   3.590  -5.382
  513    H    ALA  74           H        ALA  74  -9.660   0.429  -6.729
  514    HA   ALA  74           HA       ALA  74 -11.237   2.065  -8.552
  515   1HB   ALA  74          1HB       ALA  74 -11.027   0.529 -10.410
  516   2HB   ALA  74          2HB       ALA  74  -9.436   1.130  -9.945
  517   3HB   ALA  74          3HB       ALA  74  -9.937  -0.495  -9.476
  518    H    GLN  75           H        GLN  75 -13.031   1.809  -7.283
  519    HA   GLN  75           HA       GLN  75 -14.369  -0.744  -7.477
  520   1HB   GLN  75          2HB       GLN  75 -14.905  -0.625  -4.954
  521   1HG   GLN  75          2HG       GLN  75 -13.091   0.203  -3.555
  522   1HE2  GLN  75          1HE2      GLN  75 -12.374   2.970  -4.187
  523   2HE2  GLN  75          2HE2      GLN  75 -13.842   3.874  -4.075
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1   2.273  12.676  -5.735
    2   2H    MET   1          2H        MET   1   1.033  12.274  -6.813
    3   3H    MET   1          3H        MET   1   1.738  11.075  -5.850
    4    HA   MET   1           HA       MET   1   0.184  13.383  -4.838
    5   1HB   MET   1          2HB       MET   1  -0.587  10.463  -5.035
    6   1HG   MET   1          2HG       MET   1  -0.756  11.531  -7.209
    7   1HE   MET   1          1HE       MET   1  -2.947  14.500  -8.554
    8   2HE   MET   1          2HE       MET   1  -1.827  13.211  -8.998
    9   3HE   MET   1          3HE       MET   1  -3.418  12.813  -8.346
   10    H    GLN   2           H        GLN   2  -0.476  13.021  -2.555
   11    HA   GLN   2           HA       GLN   2   1.763  11.842  -1.062
   12   1HB   GLN   2          2HB       GLN   2  -0.260  13.919  -0.206
   13   1HG   GLN   2          2HG       GLN   2   1.368  14.824  -1.786
   14   1HE2  GLN   2          1HE2      GLN   2   2.902  13.408  -2.617
   15   2HE2  GLN   2          2HE2      GLN   2   4.478  13.250  -1.925
   16    H    PHE   3           H        PHE   3   1.458  10.231   0.367
   17    HA   PHE   3           HA       PHE   3  -1.150   8.969   0.442
   18   1HB   PHE   3          2HB       PHE   3   1.451   8.109   1.726
   19    HD1  PHE   3           1HD      PHE   3  -0.541   6.037  -0.477
   20    HD2  PHE   3           2HD      PHE   3   2.793   8.673  -0.257
   21    HE1  PHE   3           1HE      PHE   3   0.246   5.216  -2.658
   22    HE2  PHE   3           2HE      PHE   3   3.586   7.857  -2.439
   23    HZ   PHE   3           HZ       PHE   3   2.329   6.118  -3.633
   24    H    THR   4           H        THR   4  -2.583   9.776   1.843
   25    HA   THR   4           HA       THR   4  -1.648  10.469   4.551
   26    HB   THR   4           HB       THR   4  -3.725  11.867   4.709
   27    HG1  THR   4           1HG      THR   4  -3.842  11.646   1.883
   28   1HG2  THR   4          1HG2      THR   4  -1.566  12.891   4.222
   29   2HG2  THR   4          2HG2      THR   4  -2.856  13.712   3.342
   30   3HG2  THR   4          3HG2      THR   4  -1.794  12.583   2.500
   31    HA   PRO   5           HA       PRO   5  -4.209   7.286   6.212
   32   1HB   PRO   5          2HB       PRO   5  -4.867   8.305   8.625
   33   1HG   PRO   5          2HG       PRO   5  -4.371  10.547   8.225
   34   1HD   PRO   5          2HD       PRO   5  -3.010  11.200   6.479
   35    H    ASP   6           H        ASP   6  -5.953   7.465   4.698
   36    HA   ASP   6           HA       ASP   6  -8.466   7.859   5.823
   37   1HB   ASP   6          2HB       ASP   6  -9.239   9.882   4.632
   38    H    SER   7           H        SER   7  -6.536   7.947   2.882
   39    HA   SER   7           HA       SER   7  -8.723   6.625   1.427
   40   1HB   SER   7          2HB       SER   7  -6.248   8.003   0.359
   41    HG   SER   7           HG       SER   7  -8.480   9.113  -0.483
   42    H    ALA   8           H        ALA   8  -7.905   5.033  -0.280
   43    HA   ALA   8           HA       ALA   8  -5.907   3.277   0.987
   44   1HB   ALA   8          1HB       ALA   8  -7.048   1.408  -0.099
   45   2HB   ALA   8          2HB       ALA   8  -8.154   2.323   0.928
   46   3HB   ALA   8          3HB       ALA   8  -8.202   2.528  -0.823
   47    H    TRP   9           H        TRP   9  -4.828   1.767  -0.635
   48    HA   TRP   9           HA       TRP   9  -4.455   2.884  -3.288
   49   1HB   TRP   9          2HB       TRP   9  -2.085   2.581  -1.434
   50    HD1  TRP   9           HD       TRP   9  -2.776   4.249   0.489
   51    HE1  TRP   9           1HE      TRP   9  -3.134   6.797   0.558
   52    HE3  TRP   9           3HE      TRP   9  -2.962   5.183  -4.536
   53    HZ2  TRP   9           2HZ      TRP   9  -3.454   8.920  -1.272
   54    HZ3  TRP   9           3HZ      TRP   9  -3.298   7.500  -5.291
   55    HH2  TRP   9           HH       TRP   9  -3.540   9.329  -3.691
   56    H    LYS  10           H        LYS  10  -3.059   1.481  -4.643
   57    HA   LYS  10           HA       LYS  10  -3.318  -1.317  -3.774
   58   1HB   LYS  10          2HB       LYS  10  -3.475  -1.941  -6.083
   59   1HG   LYS  10          2HG       LYS  10  -3.214   0.925  -6.927
   60   1HD   LYS  10          2HD       LYS  10  -2.934  -0.015  -9.126
   61   1HE   LYS  10          2HE       LYS  10  -5.095  -1.178  -9.425
   62   1HZ   LYS  10          1HZ       LYS  10  -5.185   1.150  -7.584
   63   2HZ   LYS  10          2HZ       LYS  10  -6.489   0.587  -8.502
   64   3HZ   LYS  10          3HZ       LYS  10  -5.120   1.212  -9.274
   65    H    ILE  11           H        ILE  11  -1.596  -2.669  -3.775
   66    HA   ILE  11           HA       ILE  11   1.025  -1.471  -3.936
   67    HB   ILE  11           HB       ILE  11   0.203  -4.302  -3.275
   68   1HG1  ILE  11          2HG1      ILE  11   0.997  -1.975  -1.513
   69   1HG2  ILE  11          1HG2      ILE  11   2.470  -4.255  -4.123
   70   2HG2  ILE  11          2HG2      ILE  11   2.883  -2.946  -3.015
   71   3HG2  ILE  11          3HG2      ILE  11   2.484  -4.544  -2.383
   72   1HD1  ILE  11          1HD1      ILE  11   0.513  -3.431   0.377
   73   2HD1  ILE  11          2HD1      ILE  11   0.289  -4.790  -0.724
   74   3HD1  ILE  11          3HD1      ILE  11   1.874  -4.032  -0.571
   75    H    THR  12           H        THR  12   2.348  -1.544  -5.618
   76    HA   THR  12           HA       THR  12   2.052  -3.694  -7.594
   77    HB   THR  12           HB       THR  12   2.479  -0.806  -8.382
   78    HG1  THR  12           1HG      THR  12   0.306  -1.397  -7.545
   79   1HG2  THR  12          1HG2      THR  12   1.868  -3.267 -10.023
   80   2HG2  THR  12          2HG2      THR  12   3.434  -2.463  -9.922
   81   3HG2  THR  12          3HG2      THR  12   2.060  -1.628 -10.644
   82    H    GLY  13           H        GLY  13   3.893  -4.037  -5.811
   83   1HA   GLY  13          1HA       GLY  13   6.325  -2.788  -5.850
   84   2HA   GLY  13          2HA       GLY  13   6.135  -4.518  -5.624
   85    H    PHE  14           H        PHE  14   7.030  -1.994  -7.796
   86    HA   PHE  14           HA       PHE  14   8.254  -3.960  -9.560
   87   1HB   PHE  14          2HB       PHE  14   6.050  -3.532 -10.575
   88    HD1  PHE  14           1HD      PHE  14   6.962  -4.999 -12.212
   89    HD2  PHE  14           2HD      PHE  14   8.117  -0.904 -12.103
   90    HE1  PHE  14           1HE      PHE  14   8.007  -5.240 -14.426
   91    HE2  PHE  14           2HE      PHE  14   9.165  -1.139 -14.318
   92    HZ   PHE  14           HZ       PHE  14   9.111  -3.307 -15.481
   93    H    SER  15           H        SER  15  10.286  -3.295  -9.038
   94    HA   SER  15           HA       SER  15  10.935  -0.457  -9.462
   95   1HB   SER  15          2HB       SER  15  12.475  -2.558  -7.916
   96    HG   SER  15           HG       SER  15  10.651  -1.925  -6.777
   97    H    ARG  16           H        ARG  16  13.554  -0.459  -9.914
   98    HA   ARG  16           HA       ARG  16  13.745  -1.411 -12.604
   99   1HB   ARG  16          2HB       ARG  16  15.677   0.010 -10.776
  100   1HG   ARG  16          2HG       ARG  16  15.464   1.840 -12.382
  101   1HD   ARG  16          2HD       ARG  16  12.758   0.911 -11.432
  102    HE   ARG  16           HE       ARG  16  13.468   3.290 -12.689
  103   1HH1  ARG  16          2HH1      ARG  16  11.908   2.248  -9.754
  104   2HH1  ARG  16          1HH1      ARG  16  10.913   3.661  -9.627
  105   1HH2  ARG  16          2HH2      ARG  16  12.163   5.156 -12.531
  106   2HH2  ARG  16          1HH2      ARG  16  11.058   5.313 -11.207
  107    H    ASP  17           H        ASP  17  14.803  -2.537  -9.496
  108    HA   ASP  17           HA       ASP  17  15.517  -5.086 -10.557
  109   1HB   ASP  17          2HB       ASP  17  17.567  -3.834 -11.119
  110    H    ILE  18           H        ILE  18  13.660  -4.264  -8.662
  111    HA   ILE  18           HA       ILE  18  14.298  -4.219  -6.015
  112    HB   ILE  18           HB       ILE  18  12.004  -4.035  -6.747
  113   1HG1  ILE  18          2HG1      ILE  18  12.437  -6.403  -4.916
  114   1HG2  ILE  18          1HG2      ILE  18  10.716  -5.860  -7.600
  115   2HG2  ILE  18          2HG2      ILE  18  12.178  -5.711  -8.573
  116   3HG2  ILE  18          3HG2      ILE  18  12.053  -6.982  -7.357
  117   1HD1  ILE  18          1HD1      ILE  18   9.987  -4.687  -5.217
  118   2HD1  ILE  18          2HD1      ILE  18  10.124  -6.393  -5.645
  119   3HD1  ILE  18          3HD1      ILE  18  10.259  -5.893  -3.960
  120    H    SER  19           H        SER  19  15.733  -5.434  -4.974
  121    HA   SER  19           HA       SER  19  16.571  -7.995  -5.721
  122   1HB   SER  19          2HB       SER  19  17.657  -8.084  -3.510
  123    HG   SER  19           HG       SER  19  16.988  -5.646  -2.631
  124    HA   PRO  20           HA       PRO  20  13.562 -10.837  -4.228
  125   1HB   PRO  20          2HB       PRO  20  15.145 -12.732  -3.014
  126   1HG   PRO  20          2HG       PRO  20  17.174 -11.624  -3.124
  127   1HD   PRO  20          2HD       PRO  20  17.497  -9.773  -4.483
  128    H    ALA  21           H        ALA  21  16.024  -9.741  -1.962
  129    HA   ALA  21           HA       ALA  21  15.051 -10.652   0.439
  130   1HB   ALA  21          1HB       ALA  21  17.138  -9.381   0.190
  131   2HB   ALA  21          2HB       ALA  21  16.202  -7.911  -0.078
  132   3HB   ALA  21          3HB       ALA  21  16.124  -8.735   1.479
  133    H    TYR  22           H        TYR  22  14.049  -7.745  -1.331
  134    HA   TYR  22           HA       TYR  22  11.955  -7.181   0.596
  135   1HB   TYR  22          2HB       TYR  22  12.630  -5.821  -2.022
  136    HD1  TYR  22           1HD      TYR  22  14.877  -5.198  -1.884
  137    HD2  TYR  22           2HD      TYR  22  12.367  -4.700   1.516
  138    HE1  TYR  22           1HE      TYR  22  16.679  -3.976  -0.739
  139    HE2  TYR  22           2HE      TYR  22  14.161  -3.475   2.668
  140    HH   TYR  22           HH       TYR  22  16.917  -2.322   1.076
  141    H    ARG  23           H        ARG  23  12.282  -8.479  -2.648
  142    HA   ARG  23           HA       ARG  23   9.510  -8.461  -3.283
  143   1HB   ARG  23          2HB       ARG  23  11.227  -8.521  -5.016
  144   1HG   ARG  23          2HG       ARG  23  10.415 -10.327  -6.433
  145   1HD   ARG  23          2HD       ARG  23   8.188  -9.112  -4.803
  146    HE   ARG  23           HE       ARG  23   8.051 -10.739  -7.090
  147   1HH1  ARG  23          2HH1      ARG  23   6.816  -7.725  -5.859
  148   2HH1  ARG  23          1HH1      ARG  23   5.345  -7.807  -6.769
  149   1HH2  ARG  23          2HH2      ARG  23   6.118 -10.858  -8.293
  150   2HH2  ARG  23          1HH2      ARG  23   4.950  -9.588  -8.154
  151    H    GLN  24           H        GLN  24  11.677 -11.214  -2.563
  152    HA   GLN  24           HA       GLN  24   9.898 -13.256  -2.458
  153   1HB   GLN  24          2HB       GLN  24  12.183 -12.771  -0.545
  154   1HG   GLN  24          2HG       GLN  24  12.050 -14.360  -3.097
  155   1HE2  GLN  24          1HE2      GLN  24  13.907 -15.479  -3.658
  156   2HE2  GLN  24          2HE2      GLN  24  15.102 -15.930  -2.492
  157    H    LYS  25           H        LYS  25  10.315 -10.772  -0.005
  158    HA   LYS  25           HA       LYS  25   8.855 -11.952   2.069
  159   1HB   LYS  25          2HB       LYS  25   9.283  -9.059   1.329
  160   1HG   LYS  25          2HG       LYS  25  10.430 -10.708   3.574
  161   1HD   LYS  25          2HD       LYS  25  10.989  -7.888   2.658
  162   1HE   LYS  25          2HE       LYS  25  12.241  -9.528   4.857
  163   1HZ   LYS  25          1HZ       LYS  25  13.612  -7.572   5.220
  164   2HZ   LYS  25          2HZ       LYS  25  11.982  -7.216   5.499
  165   3HZ   LYS  25          3HZ       LYS  25  12.725  -6.705   4.068
  166    H    LEU  26           H        LEU  26   7.757  -9.761  -0.513
  167    HA   LEU  26           HA       LEU  26   5.082  -9.595   0.241
  168   1HB   LEU  26          2HB       LEU  26   6.231  -9.545  -2.550
  169    HG   LEU  26           HG       LEU  26   7.258  -7.790  -1.203
  170   1HD1  LEU  26          1HD1      LEU  26   6.568  -5.863  -2.523
  171   2HD1  LEU  26          2HD1      LEU  26   6.697  -7.306  -3.529
  172   3HD1  LEU  26          3HD1      LEU  26   5.111  -6.719  -3.028
  173   1HD2  LEU  26          1HD2      LEU  26   5.903  -6.072  -0.129
  174   2HD2  LEU  26          2HD2      LEU  26   4.433  -6.928  -0.592
  175   3HD2  LEU  26          3HD2      LEU  26   5.558  -7.661   0.552
  176    H    LEU  27           H        LEU  27   6.559 -11.801  -2.141
  177    HA   LEU  27           HA       LEU  27   4.352 -13.235  -2.886
  178   1HB   LEU  27          2HB       LEU  27   7.157 -14.242  -2.430
  179    HG   LEU  27           HG       LEU  27   7.091 -12.523  -4.164
  180   1HD1  LEU  27          1HD1      LEU  27   7.351 -15.325  -5.246
  181   2HD1  LEU  27          2HD1      LEU  27   7.960 -13.869  -6.032
  182   3HD1  LEU  27          3HD1      LEU  27   8.618 -14.372  -4.477
  183   1HD2  LEU  27          1HD2      LEU  27   4.755 -12.635  -4.777
  184   2HD2  LEU  27          2HD2      LEU  27   5.755 -12.895  -6.206
  185   3HD2  LEU  27          3HD2      LEU  27   4.971 -14.264  -5.417
  186    H    SER  28           H        SER  28   6.421 -13.831  -0.059
  187    HA   SER  28           HA       SER  28   5.208 -16.152   0.866
  188   1HB   SER  28          2HB       SER  28   7.297 -15.299   1.814
  189    HG   SER  28           HG       SER  28   5.664 -16.548   3.126
  190    H    LEU  29           H        LEU  29   4.437 -12.774   1.676
  191    HA   LEU  29           HA       LEU  29   2.236 -13.459   3.352
  192   1HB   LEU  29          2HB       LEU  29   2.835 -10.829   1.996
  193    HG   LEU  29           HG       LEU  29   4.729 -11.431   3.421
  194   1HD1  LEU  29          1HD1      LEU  29   4.680  -9.496   4.905
  195   2HD1  LEU  29          2HD1      LEU  29   4.032  -9.096   3.316
  196   3HD1  LEU  29          3HD1      LEU  29   2.938  -9.355   4.673
  197   1HD2  LEU  29          1HD2      LEU  29   3.572 -13.026   4.874
  198   2HD2  LEU  29          2HD2      LEU  29   4.430 -11.801   5.809
  199   3HD2  LEU  29          3HD2      LEU  29   2.680 -11.699   5.618
  200    H    GLY  30           H        GLY  30   2.638 -12.983  -0.054
  201   1HA   GLY  30          1HA       GLY  30   1.070 -13.789  -1.639
  202   2HA   GLY  30          2HA       GLY  30  -0.196 -13.623  -0.432
  203    H    MET  31           H        MET  31   1.974 -10.976  -0.769
  204    HA   MET  31           HA       MET  31  -0.186  -9.381  -1.914
  205   1HB   MET  31          2HB       MET  31   2.455  -8.456  -0.771
  206   1HG   MET  31          2HG       MET  31  -0.243  -8.521   0.562
  207   1HE   MET  31          1HE       MET  31   0.965  -7.163   4.053
  208   2HE   MET  31          2HE       MET  31  -0.379  -7.864   3.152
  209   3HE   MET  31          3HE       MET  31   1.044  -8.842   3.518
  210    H    LEU  32           H        LEU  32  -0.039 -10.070  -4.080
  211    HA   LEU  32           HA       LEU  32   2.460  -9.577  -5.497
  212   1HB   LEU  32          2HB       LEU  32  -0.163 -10.795  -6.346
  213    HG   LEU  32           HG       LEU  32   2.596 -12.010  -6.141
  214   1HD1  LEU  32          1HD1      LEU  32   0.052 -12.533  -4.610
  215   2HD1  LEU  32          2HD1      LEU  32   1.509 -13.521  -4.519
  216   3HD1  LEU  32          3HD1      LEU  32   1.547 -11.844  -3.977
  217   1HD2  LEU  32          1HD2      LEU  32   1.390 -12.805  -8.113
  218   2HD2  LEU  32          2HD2      LEU  32   1.542 -14.071  -6.895
  219   3HD2  LEU  32          3HD2      LEU  32   0.008 -13.224  -7.100
  220    HA   PRO  33           HA       PRO  33   1.656  -5.652  -7.294
  221   1HB   PRO  33          2HB       PRO  33   1.572  -6.999  -9.961
  222   1HG   PRO  33          2HG       PRO  33   3.675  -7.951  -9.719
  223   1HD   PRO  33          2HD       PRO  33   2.552  -9.352  -8.294
  224    H    GLY  34           H        GLY  34  -0.189  -4.543  -7.452
  225   1HA   GLY  34          1HA       GLY  34  -2.297  -4.010  -8.375
  226   2HA   GLY  34          2HA       GLY  34  -2.451  -5.674  -8.925
  227    H    SER  35           H        SER  35  -1.373  -5.273  -5.697
  228    HA   SER  35           HA       SER  35  -3.805  -6.465  -4.694
  229   1HB   SER  35          2HB       SER  35  -1.622  -7.233  -3.850
  230    HG   SER  35           HG       SER  35  -3.292  -7.420  -2.379
  231    H    SER  36           H        SER  36  -4.572  -5.548  -2.466
  232    HA   SER  36           HA       SER  36  -4.787  -2.618  -2.682
  233   1HB   SER  36          2HB       SER  36  -7.132  -2.805  -1.900
  234    HG   SER  36           HG       SER  36  -7.249  -4.747  -0.899
  235    H    PHE  37           H        PHE  37  -4.595  -1.470  -0.820
  236    HA   PHE  37           HA       PHE  37  -4.729  -2.818   1.748
  237   1HB   PHE  37          2HB       PHE  37  -2.506  -2.269   2.451
  238    HD1  PHE  37           1HD      PHE  37  -1.322  -0.319   2.740
  239    HD2  PHE  37           2HD      PHE  37  -2.307  -1.577  -1.203
  240    HE1  PHE  37           1HE      PHE  37  -0.002   1.543   1.820
  241    HE2  PHE  37           2HE      PHE  37  -0.991   0.283  -2.131
  242    HZ   PHE  37           HZ       PHE  37   0.168   1.850  -0.607
  243    H    HIS  38           H        HIS  38  -4.684  -1.338   3.558
  244    HA   HIS  38           HA       HIS  38  -5.595   1.350   2.781
  245   1HB   HIS  38          2HB       HIS  38  -6.189  -0.257   5.274
  246    HD1  HIS  38           1HD      HIS  38  -7.578  -2.133   4.372
  247    HD2  HIS  38           2HD      HIS  38  -8.633   1.548   2.756
  248    HE1  HIS  38           1HE      HIS  38  -9.665  -2.558   3.037
  249    HE2  HIS  38           2HE      HIS  38 -10.336  -0.301   2.144
  250    H    VAL  39           H        VAL  39  -4.836   3.165   3.877
  251    HA   VAL  39           HA       VAL  39  -2.175   2.873   4.979
  252    HB   VAL  39           HB       VAL  39  -3.798   5.376   4.505
  253   1HG1  VAL  39          1HG1      VAL  39  -1.641   6.537   4.678
  254   2HG1  VAL  39          2HG1      VAL  39  -2.075   5.719   6.179
  255   3HG1  VAL  39          3HG1      VAL  39  -0.866   5.013   5.108
  256   1HG2  VAL  39          1HG2      VAL  39  -3.365   4.194   2.427
  257   2HG2  VAL  39          2HG2      VAL  39  -2.384   5.658   2.513
  258   3HG2  VAL  39          3HG2      VAL  39  -1.651   4.084   2.824
  259    H    VAL  40           H        VAL  40  -1.658   2.897   7.071
  260    HA   VAL  40           HA       VAL  40  -3.775   3.259   9.038
  261    HB   VAL  40           HB       VAL  40  -0.906   2.386   9.426
  262   1HG1  VAL  40          1HG1      VAL  40  -3.255   2.322  11.318
  263   2HG1  VAL  40          2HG1      VAL  40  -1.668   1.620  11.630
  264   3HG1  VAL  40          3HG1      VAL  40  -1.838   3.365  11.447
  265   1HG2  VAL  40          1HG2      VAL  40  -2.173   0.804   8.070
  266   2HG2  VAL  40          2HG2      VAL  40  -1.839   0.135   9.666
  267   3HG2  VAL  40          3HG2      VAL  40  -3.444   0.760   9.291
  268    H    ARG  41           H        ARG  41  -0.540   4.570   8.349
  269    HA   ARG  41           HA       ARG  41  -1.272   7.188   9.189
  270   1HB   ARG  41          2HB       ARG  41   0.148   7.398  11.144
  271   1HG   ARG  41          2HG       ARG  41   0.679   4.447  10.866
  272   1HD   ARG  41          2HD       ARG  41   0.393   5.112  13.194
  273    HE   ARG  41           HE       ARG  41   1.478   7.520  12.582
  274   1HH1  ARG  41          2HH1      ARG  41   2.332   4.987  14.811
  275   2HH1  ARG  41          1HH1      ARG  41   3.044   6.064  15.966
  276   1HH2  ARG  41          2HH2      ARG  41   2.411   8.950  14.096
  277   2HH2  ARG  41          1HH2      ARG  41   3.085   8.319  15.560
  278    H    VAL  42           H        VAL  42  -0.020   8.602   8.126
  279    HA   VAL  42           HA       VAL  42   2.725   7.854   7.439
  280    HB   VAL  42           HB       VAL  42   0.783   8.904   5.375
  281   1HG1  VAL  42          1HG1      VAL  42   2.614   8.424   3.800
  282   2HG1  VAL  42          2HG1      VAL  42   3.061   9.645   4.990
  283   3HG1  VAL  42          3HG1      VAL  42   3.649   7.990   5.160
  284   1HG2  VAL  42          1HG2      VAL  42   2.020   6.167   5.491
  285   2HG2  VAL  42          2HG2      VAL  42   0.403   6.523   6.099
  286   3HG2  VAL  42          3HG2      VAL  42   0.773   6.744   4.388
  287    H    ALA  43           H        ALA  43   4.058   9.649   6.800
  288    HA   ALA  43           HA       ALA  43   2.986  12.279   7.586
  289   1HB   ALA  43          1HB       ALA  43   5.723  11.209   8.268
  290   2HB   ALA  43          2HB       ALA  43   5.087  12.800   8.687
  291   3HB   ALA  43          3HB       ALA  43   4.372  11.350   9.393
  292    HA   PRO  44           HA       PRO  44   4.581  13.598   3.671
  293   1HB   PRO  44          2HB       PRO  44   4.771  16.268   4.149
  294   1HG   PRO  44          2HG       PRO  44   4.500  16.264   6.454
  295   1HD   PRO  44          2HD       PRO  44   3.679  14.429   7.582
  296    H    LEU  45           H        LEU  45   6.247  14.236   6.657
  297    HA   LEU  45           HA       LEU  45   8.642  15.210   5.344
  298   1HB   LEU  45          2HB       LEU  45   8.149  14.496   8.237
  299    HG   LEU  45           HG       LEU  45   6.790  16.419   7.687
  300   1HD1  LEU  45          1HD1      LEU  45   9.332  17.223   9.092
  301   2HD1  LEU  45          2HD1      LEU  45   7.791  18.075   9.183
  302   3HD1  LEU  45          3HD1      LEU  45   7.936  16.441   9.833
  303   1HD2  LEU  45          1HD2      LEU  45   9.317  17.607   6.550
  304   2HD2  LEU  45          2HD2      LEU  45   7.898  17.098   5.634
  305   3HD2  LEU  45          3HD2      LEU  45   7.785  18.457   6.753
  306    H    GLY  46           H        GLY  46   7.689  12.348   7.232
  307   1HA   GLY  46          1HA       GLY  46   8.692  10.317   5.871
  308   2HA   GLY  46          2HA       GLY  46  10.182  11.017   6.486
  309    H    ASP  47           H        ASP  47   7.587   8.943   7.126
  310    HA   ASP  47           HA       ASP  47   8.683   8.327   9.747
  311   1HB   ASP  47          2HB       ASP  47   5.819   9.170   9.295
  312    HA   PRO  48           HA       PRO  48   7.471   4.232   8.623
  313   1HB   PRO  48          2HB       PRO  48   6.794   3.340  11.245
  314   1HG   PRO  48          2HG       PRO  48   7.853   4.765  12.664
  315   1HD   PRO  48          2HD       PRO  48   6.661   6.485  11.689
  316    H    VAL  49           H        VAL  49   5.681   3.720   7.576
  317    HA   VAL  49           HA       VAL  49   3.076   4.149   8.865
  318    HB   VAL  49           HB       VAL  49   3.155   5.374   6.853
  319   1HG1  VAL  49          1HG1      VAL  49   5.129   4.461   5.864
  320   2HG1  VAL  49          2HG1      VAL  49   4.330   2.914   5.575
  321   3HG1  VAL  49          3HG1      VAL  49   3.821   4.351   4.687
  322   1HG2  VAL  49          1HG2      VAL  49   1.780   2.770   6.182
  323   2HG2  VAL  49          2HG2      VAL  49   1.078   4.097   7.105
  324   3HG2  VAL  49          3HG2      VAL  49   1.488   4.323   5.405
  325    H    HIS  50           H        HIS  50   1.381   2.576   8.368
  326    HA   HIS  50           HA       HIS  50   2.425  -0.160   8.037
  327   1HB   HIS  50          2HB       HIS  50   0.287   0.780   9.964
  328    HD1  HIS  50           1HD      HIS  50   2.067   2.224  11.241
  329    HD2  HIS  50           2HD      HIS  50   2.950  -1.828  10.986
  330    HE1  HIS  50           1HE      HIS  50   3.898   1.829  12.918
  331    HE2  HIS  50           2HE      HIS  50   4.412  -0.632  12.753
  332    H    ILE  51           H        ILE  51   1.064  -1.641   6.978
  333    HA   ILE  51           HA       ILE  51  -1.162  -0.389   5.506
  334    HB   ILE  51           HB       ILE  51  -0.749  -1.953   3.686
  335   1HG1  ILE  51          2HG1      ILE  51   1.655  -2.868   5.281
  336   1HG2  ILE  51          1HG2      ILE  51   1.361  -1.034   2.883
  337   2HG2  ILE  51          2HG2      ILE  51   0.387   0.211   3.664
  338   3HG2  ILE  51          3HG2      ILE  51   1.759  -0.499   4.516
  339   1HD1  ILE  51          1HD1      ILE  51   2.009  -2.973   2.862
  340   2HD1  ILE  51          2HD1      ILE  51   1.916  -4.573   3.593
  341   3HD1  ILE  51          3HD1      ILE  51   0.540  -3.932   2.699
  342    H    GLU  52           H        GLU  52  -3.112  -1.388   5.446
  343    HA   GLU  52           HA       GLU  52  -3.393  -3.823   7.073
  344   1HB   GLU  52          2HB       GLU  52  -5.509  -1.795   6.323
  345   1HG   GLU  52          2HG       GLU  52  -3.971  -0.758   7.857
  346    H    THR  53           H        THR  53  -3.548  -5.617   5.901
  347    HA   THR  53           HA       THR  53  -5.153  -5.526   3.434
  348    HB   THR  53           HB       THR  53  -3.643  -7.283   2.492
  349    HG1  THR  53           1HG      THR  53  -1.770  -6.509   4.466
  350   1HG2  THR  53          1HG2      THR  53  -2.328  -4.658   3.196
  351   2HG2  THR  53          2HG2      THR  53  -3.405  -4.943   1.829
  352   3HG2  THR  53          3HG2      THR  53  -1.833  -5.741   1.895
  353    H    ARG  54           H        ARG  54  -5.384  -8.054   2.734
  354    HA   ARG  54           HA       ARG  54  -7.389  -9.146   4.164
  355   1HB   ARG  54          2HB       ARG  54  -6.707  -9.972   1.976
  356   1HG   ARG  54          2HG       ARG  54  -7.037 -12.323   2.235
  357   1HD   ARG  54          2HD       ARG  54  -8.970 -12.397   3.717
  358    HE   ARG  54           HE       ARG  54  -8.743 -10.516   1.681
  359   1HH1  ARG  54          2HH1      ARG  54 -10.672 -11.067   4.526
  360   2HH1  ARG  54          1HH1      ARG  54 -12.064 -10.249   3.900
  361   1HH2  ARG  54          2HH2      ARG  54 -10.570  -9.436   0.844
  362   2HH2  ARG  54          1HH2      ARG  54 -12.007  -9.323   1.805
  363    H    ARG  55           H        ARG  55  -7.227  -9.114   6.364
  364    HA   ARG  55           HA       ARG  55  -6.561  -9.668   8.464
  365   1HB   ARG  55          2HB       ARG  55  -6.323 -12.325   7.049
  366   1HG   ARG  55          2HG       ARG  55  -8.582 -11.239   8.714
  367   1HD   ARG  55          2HD       ARG  55  -9.798 -13.179   7.882
  368    HE   ARG  55           HE       ARG  55  -7.715 -13.417   9.715
  369   1HH1  ARG  55          2HH1      ARG  55  -9.596 -15.456   7.609
  370   2HH1  ARG  55          1HH1      ARG  55  -9.453 -16.854   8.620
  371   1HH2  ARG  55          2HH2      ARG  55  -7.520 -15.252  11.054
  372   2HH2  ARG  55          1HH2      ARG  55  -8.274 -16.738  10.581
  373    H    VAL  56           H        VAL  56  -4.469  -8.371   7.521
  374    HA   VAL  56           HA       VAL  56  -2.295  -9.438   8.950
  375    HB   VAL  56           HB       VAL  56  -2.176 -10.966   6.993
  376   1HG1  VAL  56          1HG1      VAL  56  -2.978  -9.174   5.376
  377   2HG1  VAL  56          2HG1      VAL  56  -1.318  -8.578   5.390
  378   3HG1  VAL  56          3HG1      VAL  56  -1.662 -10.212   4.825
  379   1HG2  VAL  56          1HG2      VAL  56  -0.185 -10.433   8.313
  380   2HG2  VAL  56          2HG2      VAL  56   0.219 -10.699   6.616
  381   3HG2  VAL  56          3HG2      VAL  56   0.144  -9.057   7.258
  382    H    SER  57           H        SER  57  -1.537  -7.619   9.763
  383    HA   SER  57           HA       SER  57  -1.455  -5.208   8.097
  384   1HB   SER  57          2HB       SER  57  -2.610  -4.924  10.209
  385    HG   SER  57           HG       SER  57  -1.033  -3.395  11.221
  386    H    LEU  58           H        LEU  58   0.406  -4.884   7.068
  387    HA   LEU  58           HA       LEU  58   2.905  -5.719   8.370
  388   1HB   LEU  58          2HB       LEU  58   2.409  -6.657   6.123
  389    HG   LEU  58           HG       LEU  58   4.790  -4.795   6.082
  390   1HD1  LEU  58          1HD1      LEU  58   4.834  -6.261   8.019
  391   2HD1  LEU  58          2HD1      LEU  58   4.544  -7.660   6.987
  392   3HD1  LEU  58          3HD1      LEU  58   6.050  -6.755   6.843
  393   1HD2  LEU  58          1HD2      LEU  58   4.235  -5.599   3.864
  394   2HD2  LEU  58          2HD2      LEU  58   5.695  -6.396   4.450
  395   3HD2  LEU  58          3HD2      LEU  58   4.157  -7.257   4.460
  396    H    VAL  59           H        VAL  59   4.675  -4.307   8.479
  397    HA   VAL  59           HA       VAL  59   3.917  -1.476   8.444
  398    HB   VAL  59           HB       VAL  59   4.802  -2.322  10.559
  399   1HG1  VAL  59          1HG1      VAL  59   7.260  -2.975   8.943
  400   2HG1  VAL  59          2HG1      VAL  59   7.200  -2.960  10.705
  401   3HG1  VAL  59          3HG1      VAL  59   6.213  -4.107   9.800
  402   1HG2  VAL  59          1HG2      VAL  59   6.691  -0.425   9.169
  403   2HG2  VAL  59          2HG2      VAL  59   5.187   0.011   9.981
  404   3HG2  VAL  59          3HG2      VAL  59   6.538  -0.632  10.914
  405    H    LEU  60           H        LEU  60   5.008   0.052   7.288
  406    HA   LEU  60           HA       LEU  60   7.322  -0.774   5.697
  407   1HB   LEU  60          2HB       LEU  60   4.826   0.496   4.575
  408    HG   LEU  60           HG       LEU  60   4.698  -1.973   4.717
  409   1HD1  LEU  60          1HD1      LEU  60   3.556  -0.794   2.919
  410   2HD1  LEU  60          2HD1      LEU  60   5.013  -0.874   1.926
  411   3HD1  LEU  60          3HD1      LEU  60   4.158  -2.355   2.363
  412   1HD2  LEU  60          1HD2      LEU  60   7.136  -1.880   2.946
  413   2HD2  LEU  60          2HD2      LEU  60   7.079  -2.466   4.607
  414   3HD2  LEU  60          3HD2      LEU  60   6.202  -3.324   3.340
  415    H    ARG  61           H        ARG  61   8.352   1.142   4.601
  416    HA   ARG  61           HA       ARG  61   7.953   3.610   6.151
  417   1HB   ARG  61          2HB       ARG  61  10.636   2.414   5.432
  418   1HG   ARG  61          2HG       ARG  61   9.294   2.655   8.117
  419   1HD   ARG  61          2HD       ARG  61  11.334   1.544   8.957
  420    HE   ARG  61           HE       ARG  61  11.161   4.228   8.369
  421   1HH1  ARG  61          2HH1      ARG  61  13.703   1.872   8.705
  422   2HH1  ARG  61          1HH1      ARG  61  14.872   3.022   9.264
  423   1HH2  ARG  61          2HH2      ARG  61  12.689   5.750   9.103
  424   2HH2  ARG  61          1HH2      ARG  61  14.295   5.228   9.491
  425    H    LYS  62           H        LYS  62   8.591   5.547   5.103
  426    HA   LYS  62           HA       LYS  62   7.814   5.814   2.483
  427   1HB   LYS  62          2HB       LYS  62   8.084   7.669   4.128
  428   1HG   LYS  62          2HG       LYS  62   9.359   9.255   2.449
  429   1HD   LYS  62          2HD       LYS  62   6.979   9.382   2.872
  430   1HE   LYS  62          2HE       LYS  62   6.789   7.023   1.006
  431   1HZ   LYS  62          1HZ       LYS  62   5.036   8.637   0.558
  432   2HZ   LYS  62          2HZ       LYS  62   4.600   8.645   2.193
  433   3HZ   LYS  62          3HZ       LYS  62   4.406   7.239   1.275
  434    H    LYS  63           H        LYS  63  10.885   4.770   3.689
  435    HA   LYS  63           HA       LYS  63  12.290   5.254   1.215
  436   1HB   LYS  63          2HB       LYS  63  14.177   4.168   2.281
  437   1HG   LYS  63          2HG       LYS  63  12.295   3.483   4.529
  438   1HD   LYS  63          2HD       LYS  63  14.481   4.213   5.348
  439   1HE   LYS  63          2HE       LYS  63  15.589   2.008   3.613
  440   1HZ   LYS  63          1HZ       LYS  63  16.970   3.945   5.391
  441   2HZ   LYS  63          2HZ       LYS  63  17.721   2.801   4.398
  442   3HZ   LYS  63          3HZ       LYS  63  16.775   2.295   5.705
  443    H    ASP  64           H        ASP  64  10.526   2.654   2.697
  444    HA   ASP  64           HA       ASP  64  11.505   0.646   0.870
  445   1HB   ASP  64          2HB       ASP  64   9.276   0.586   2.910
  446    H    LEU  65           H        LEU  65   8.713   2.746   1.155
  447    HA   LEU  65           HA       LEU  65   7.150   1.441  -0.835
  448   1HB   LEU  65          2HB       LEU  65   7.022   4.168   0.419
  449    HG   LEU  65           HG       LEU  65   5.286   1.718   0.630
  450   1HD1  LEU  65          1HD1      LEU  65   6.659   3.442   2.683
  451   2HD1  LEU  65          2HD1      LEU  65   5.650   2.036   3.023
  452   3HD1  LEU  65          3HD1      LEU  65   7.174   1.838   2.157
  453   1HD2  LEU  65          1HD2      LEU  65   3.854   3.670   0.234
  454   2HD2  LEU  65          2HD2      LEU  65   3.687   3.052   1.877
  455   3HD2  LEU  65          3HD2      LEU  65   4.637   4.507   1.575
  456    H    ALA  66           H        ALA  66   9.802   3.623  -0.959
  457    HA   ALA  66           HA       ALA  66   9.330   4.967  -3.354
  458   1HB   ALA  66          1HB       ALA  66  11.146   5.530  -1.805
  459   2HB   ALA  66          2HB       ALA  66  11.987   4.050  -2.263
  460   3HB   ALA  66          3HB       ALA  66  11.729   5.323  -3.456
  461    H    LEU  67           H        LEU  67  10.950   1.849  -2.799
  462    HA   LEU  67           HA       LEU  67  11.585   1.353  -5.499
  463   1HB   LEU  67          2HB       LEU  67  11.120  -0.612  -3.257
  464    HG   LEU  67           HG       LEU  67  12.952   0.861  -2.659
  465   1HD1  LEU  67          1HD1      LEU  67  13.925  -1.794  -3.702
  466   2HD1  LEU  67          2HD1      LEU  67  14.759  -0.786  -2.519
  467   3HD1  LEU  67          3HD1      LEU  67  13.194  -1.496  -2.125
  468   1HD2  LEU  67          1HD2      LEU  67  14.921   1.073  -4.108
  469   2HD2  LEU  67          2HD2      LEU  67  14.081   0.169  -5.367
  470   3HD2  LEU  67          3HD2      LEU  67  13.473   1.745  -4.860
  471    H    ILE  68           H        ILE  68   8.953  -0.016  -3.508
  472    HA   ILE  68           HA       ILE  68   7.675  -1.304  -5.680
  473    HB   ILE  68           HB       ILE  68   5.754  -1.570  -4.178
  474   1HG1  ILE  68          2HG1      ILE  68   7.334   0.215  -2.319
  475   1HG2  ILE  68          1HG2      ILE  68   8.412  -2.049  -2.838
  476   2HG2  ILE  68          2HG2      ILE  68   6.891  -2.831  -2.407
  477   3HG2  ILE  68          3HG2      ILE  68   7.614  -3.119  -3.990
  478   1HD1  ILE  68          1HD1      ILE  68   4.677  -1.117  -1.860
  479   2HD1  ILE  68          2HD1      ILE  68   6.193  -1.525  -1.056
  480   3HD1  ILE  68          3HD1      ILE  68   5.453   0.055  -0.793
  481    H    GLU  69           H        GLU  69   5.708  -0.773  -6.727
  482    HA   GLU  69           HA       GLU  69   5.304   2.118  -6.994
  483   1HB   GLU  69          2HB       GLU  69   5.827   0.688  -9.014
  484   1HG   GLU  69          2HG       GLU  69   3.144   2.046  -9.157
  485    H    LEU  70           H        LEU  70   3.500   3.074  -6.296
  486    HA   LEU  70           HA       LEU  70   1.240   1.349  -5.524
  487   1HB   LEU  70          2HB       LEU  70   2.582   3.590  -4.124
  488    HG   LEU  70           HG       LEU  70   0.913   1.400  -2.906
  489   1HD1  LEU  70          1HD1      LEU  70   3.037   0.165  -2.583
  490   2HD1  LEU  70          2HD1      LEU  70   2.533   0.268  -4.270
  491   3HD1  LEU  70          3HD1      LEU  70   3.826   1.308  -3.671
  492   1HD2  LEU  70          1HD2      LEU  70   3.178   3.101  -1.871
  493   2HD2  LEU  70          2HD2      LEU  70   1.471   3.265  -1.457
  494   3HD2  LEU  70          3HD2      LEU  70   2.363   1.823  -0.970
  495    H    GLU  71           H        GLU  71  -0.755   1.873  -6.214
  496    HA   GLU  71           HA       GLU  71  -1.105   4.422  -7.637
  497   1HB   GLU  71          2HB       GLU  71  -0.784   2.692  -9.316
  498   1HG   GLU  71          2HG       GLU  71  -3.704   3.388  -9.095
  499    H    ALA  72           H        ALA  72  -3.313   5.154  -7.786
  500    HA   ALA  72           HA       ALA  72  -4.729   4.874  -5.361
  501   1HB   ALA  72          1HB       ALA  72  -4.819   6.904  -6.712
  502   2HB   ALA  72          2HB       ALA  72  -5.670   6.027  -7.983
  503   3HB   ALA  72          3HB       ALA  72  -6.436   6.265  -6.413
  504    H    VAL  73           H        VAL  73  -6.357   3.579  -4.753
  505    HA   VAL  73           HA       VAL  73  -6.921   1.205  -6.124
  506    HB   VAL  73           HB       VAL  73  -8.753   0.889  -4.510
  507   1HG1  VAL  73          1HG1      VAL  73  -6.214   1.980  -3.303
  508   2HG1  VAL  73          2HG1      VAL  73  -7.387   0.959  -2.471
  509   3HG1  VAL  73          3HG1      VAL  73  -6.486   0.326  -3.848
  510   1HG2  VAL  73          1HG2      VAL  73  -8.096   3.702  -3.641
  511   2HG2  VAL  73          2HG2      VAL  73  -9.582   3.179  -4.432
  512   3HG2  VAL  73          3HG2      VAL  73  -9.196   2.601  -2.812
  513    H    ALA  74           H        ALA  74  -9.179   0.498  -6.728
  514    HA   ALA  74           HA       ALA  74 -10.616   2.653  -8.130
  515   1HB   ALA  74          1HB       ALA  74 -10.081  -0.118  -9.196
  516   2HB   ALA  74          2HB       ALA  74 -11.018   1.141 -10.001
  517   3HB   ALA  74          3HB       ALA  74  -9.289   1.365  -9.732
  518    H    GLN  75           H        GLN  75 -12.784   2.665  -7.906
  519    HA   GLN  75           HA       GLN  75 -13.960   0.839  -6.014
  520   1HB   GLN  75          2HB       GLN  75 -14.546   3.215  -5.966
  521   1HG   GLN  75          2HG       GLN  75 -16.960   3.106  -5.931
  522   1HE2  GLN  75          1HE2      GLN  75 -17.992   0.448  -5.255
  523   2HE2  GLN  75          2HE2      GLN  75 -17.247   0.022  -3.757