*HEADER    ANTIMICROBIAL PROTEIN                   06-FEB-17   5X3L              
*TITLE     SOLUTION STRUCTURE OF A NOVEL ANTIMICROBIAL PEPTIDE, P1, FROM JUMPER  
*TITLE    2 ANT MYRMECIA PILOSULA                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PILOSULIN-1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CRITICAL FOR CYTOTOXIC ACTIVITY DOMAIN, UNP RESIDUES 57-76;
*COMPND   5 SYNONYM: ALLERGEN MYR P I,MAJOR ALLERGEN MYR P 1;                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MYRMECIA PILOSULA;                              
*SOURCE   4 ORGANISM_COMMON: JACK JUMPER ANT;                                    
*SOURCE   5 ORGANISM_TAXID: 13618                                                
*KEYWDS    CNS, MOLMOL, ANTIMICROBIAL PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.-S.TSENG,C.CHEN                                                     
*REVDAT   1   15-FEB-17 5X3L    0                                                
# Restraints file 1: Plio_talos_3.tab
# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree.
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -61.7   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -39.7   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -65.9   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -41.5   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -61.6   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -45.8   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -62.6   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -39.7   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -66.7   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -39.5   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -62.7   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -38.9   22.3 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -63.4   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -42.0   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -68.3   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -38.4   21.3 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -69.6   24.6 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -39.0   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -70.9   38.1 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -33.7   32.7 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -77.2   45.5 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -33.1   24.5 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -71.7   27.1 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -24.4   48.6 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -72.8   36.5 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -41.2   21.3 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -116.7   33.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  142.2   49.8 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -67.4   23.3 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  154.4   22.7 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -59.9   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -28.6   34.4 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -15.212  -1.625   1.994
    2    H2   GLY   1           HT2      GLY   1 -15.629  -2.989   1.084
    3    H3   GLY   1           HT3      GLY   1 -16.020  -1.444   0.518
    4    HA2  GLY   1           HA1      GLY   1 -13.341  -1.270   0.871
    5    HA3  GLY   1           HA2      GLY   1 -13.559  -2.917   0.298
    6    H    LEU   2           HN       LEU   2 -12.368  -2.222  -1.596
    7    HA   LEU   2           HA       LEU   2 -12.259  -1.659  -3.797
    8    HB2  LEU   2           HB2      LEU   2 -15.259  -1.391  -3.557
    9    HB3  LEU   2           HB1      LEU   2 -14.360  -1.438  -5.060
   10    HG   LEU   2           HG       LEU   2 -15.334  -3.591  -4.723
   11   HD11  LEU   2          1HD1      LEU   2 -13.479  -4.928  -5.035
   12   HD12  LEU   2          2HD1      LEU   2 -12.516  -4.052  -3.846
   13   HD13  LEU   2          3HD1      LEU   2 -12.848  -3.327  -5.418
   14   HD21  LEU   2          1HD2      LEU   2 -15.502  -3.200  -2.182
   15   HD22  LEU   2          2HD2      LEU   2 -13.894  -3.922  -2.117
   16   HD23  LEU   2          3HD2      LEU   2 -15.249  -4.844  -2.766
   17    H    GLY   3           HN       GLY   3 -11.125   0.248  -3.112
   18    HA2  GLY   3           HA2      GLY   3 -10.928   2.504  -3.951
   19    HA3  GLY   3           HA1      GLY   3 -12.658   2.697  -3.698
   20    H    SER   4           HN       SER   4 -12.729   1.513  -1.095
   21    HA   SER   4           HA       SER   4 -11.826   3.792   0.451
   22    HB2  SER   4           HB2      SER   4 -13.042   1.394   1.752
   23    HB3  SER   4           HB1      SER   4 -13.307   3.106   2.082
   24    HG   SER   4           HG       SER   4 -14.390   3.121  -0.041
   25    H    VAL   5           HN       VAL   5 -11.094   0.433  -0.018
   26    HA   VAL   5           HA       VAL   5  -9.191   0.216   2.128
   27    HB   VAL   5           HB       VAL   5  -9.392  -1.555  -0.264
   28   HG11  VAL   5          1HG1      VAL   5  -7.537  -1.749   1.493
   29   HG12  VAL   5          2HG1      VAL   5  -8.410  -3.219   1.063
   30   HG13  VAL   5          3HG1      VAL   5  -8.794  -2.373   2.562
   31   HG21  VAL   5          1HG2      VAL   5 -11.510  -2.025   0.253
   32   HG22  VAL   5          2HG2      VAL   5 -11.423  -1.083   1.741
   33   HG23  VAL   5          3HG2      VAL   5 -10.903  -2.768   1.732
   34    H    PHE   6           HN       PHE   6  -9.182   0.973  -1.277
   35    HA   PHE   6           HA       PHE   6  -6.656   0.509  -2.127
   36    HB2  PHE   6           HB2      PHE   6  -7.226   1.831  -3.861
   37    HB3  PHE   6           HB1      PHE   6  -8.773   1.999  -3.042
   38    HD1  PHE   6           HD1      PHE   6  -6.356   3.773  -4.677
   39    HD2  PHE   6           HD2      PHE   6  -8.598   3.893  -1.062
   40    HE1  PHE   6           HE1      PHE   6  -6.010   6.206  -4.548
   41    HE2  PHE   6           HE2      PHE   6  -8.257   6.326  -0.927
   42    HZ   PHE   6           HZ       PHE   6  -6.962   7.485  -2.671
   43    H    GLY   7           HN       GLY   7  -7.623   2.722   0.332
   44    HA2  GLY   7           HA2      GLY   7  -5.324   4.392   0.362
   45    HA3  GLY   7           HA1      GLY   7  -6.435   4.144   1.703
   46    H    ARG   8           HN       ARG   8  -6.114   1.344   1.934
   47    HA   ARG   8           HA       ARG   8  -3.652   1.275   3.433
   48    HB2  ARG   8           HB2      ARG   8  -6.075  -0.412   3.192
   49    HB3  ARG   8           HB1      ARG   8  -4.589  -1.255   3.610
   50    HG2  ARG   8           HG2      ARG   8  -5.124  -0.735   5.712
   51    HG3  ARG   8           HG1      ARG   8  -4.507   0.869   5.310
   52    HD2  ARG   8           HD2      ARG   8  -7.320   0.329   4.592
   53    HD3  ARG   8           HD1      ARG   8  -6.962   0.427   6.315
   54    HE   ARG   8           HE       ARG   8  -5.771   2.615   5.049
   55   HH11  ARG   8          1HH1      ARG   8  -8.960   1.385   5.749
   56   HH12  ARG   8          2HH1      ARG   8  -9.690   2.954   5.805
   57   HH21  ARG   8          1HH2      ARG   8  -6.727   4.680   5.123
   58   HH22  ARG   8          2HH2      ARG   8  -8.422   4.825   5.449
   59    H    LEU   9           HN       LEU   9  -5.048  -0.602   0.731
   60    HA   LEU   9           HA       LEU   9  -2.905  -2.271   0.215
   61    HB2  LEU   9           HB2      LEU   9  -5.077  -1.112  -1.463
   62    HB3  LEU   9           HB1      LEU   9  -3.760  -1.936  -2.275
   63    HG   LEU   9           HG       LEU   9  -4.346  -3.820  -0.475
   64   HD11  LEU   9          1HD1      LEU   9  -6.687  -2.024  -0.556
   65   HD12  LEU   9          2HD1      LEU   9  -6.131  -3.115   0.714
   66   HD13  LEU   9          3HD1      LEU   9  -7.016  -3.753  -0.672
   67   HD21  LEU   9          1HD2      LEU   9  -4.467  -3.668  -3.116
   68   HD22  LEU   9          2HD2      LEU   9  -6.200  -3.688  -2.791
   69   HD23  LEU   9          3HD2      LEU   9  -5.182  -5.013  -2.228
   70    H    ALA  10           HN       ALA  10  -3.404   1.061  -0.786
   71    HA   ALA  10           HA       ALA  10  -1.423   1.421  -2.659
   72    HB1  ALA  10           HB1      ALA  10  -2.300   3.357  -0.525
   73    HB2  ALA  10           HB2      ALA  10  -3.040   3.137  -2.110
   74    HB3  ALA  10           HB3      ALA  10  -1.402   3.777  -1.983
   75    H    ARG  11           HN       ARG  11  -1.017   0.799   0.705
   76    HA   ARG  11           HA       ARG  11   1.677   1.821   0.773
   77    HB2  ARG  11           HB2      ARG  11   1.633   1.523   3.078
   78    HB3  ARG  11           HB1      ARG  11  -0.031   1.936   2.699
   79    HG2  ARG  11           HG2      ARG  11  -0.230  -0.719   2.565
   80    HG3  ARG  11           HG1      ARG  11   1.121  -0.600   3.690
   81    HD2  ARG  11           HD2      ARG  11  -1.632   0.582   3.983
   82    HD3  ARG  11           HD1      ARG  11  -0.892  -0.678   4.969
   83    HE   ARG  11           HE       ARG  11   0.544   1.815   4.988
   84   HH11  ARG  11          1HH1      ARG  11  -2.024  -0.027   6.469
   85   HH12  ARG  11          2HH1      ARG  11  -1.950   0.838   7.966
   86   HH21  ARG  11          1HH2      ARG  11   0.642   2.955   6.956
   87   HH22  ARG  11          2HH2      ARG  11  -0.437   2.532   8.244
   88    H    ILE  12           HN       ILE  12   0.048  -1.354   0.836
   89    HA   ILE  12           HA       ILE  12   2.290  -2.910   1.351
   90    HB   ILE  12           HB       ILE  12   1.208  -4.746   0.158
   91   HG12  ILE  12          2HG1      ILE  12  -1.244  -3.163  -0.365
   92   HG13  ILE  12          1HG1      ILE  12   0.096  -2.913  -1.475
   93   HG21  ILE  12          1HG2      ILE  12  -0.581  -5.023   1.673
   94   HG22  ILE  12          2HG2      ILE  12  -0.834  -3.283   1.807
   95   HG23  ILE  12          3HG2      ILE  12   0.609  -4.021   2.503
   96   HD11  ILE  12          1HD1      ILE  12  -1.799  -4.860  -1.684
   97   HD12  ILE  12          2HD1      ILE  12  -0.452  -5.721  -0.939
   98   HD13  ILE  12          3HD1      ILE  12  -0.220  -4.878  -2.470
   99    H    LEU  13           HN       LEU  13   1.239  -1.419  -1.632
  100    HA   LEU  13           HA       LEU  13   3.113  -2.736  -3.322
  101    HB2  LEU  13           HB2      LEU  13   2.783  -0.379  -4.600
  102    HB3  LEU  13           HB1      LEU  13   1.675  -1.727  -4.740
  103    HG   LEU  13           HG       LEU  13   1.093   0.118  -2.522
  104   HD11  LEU  13          1HD1      LEU  13  -0.105   1.539  -4.444
  105   HD12  LEU  13          2HD1      LEU  13   1.350   1.056  -5.315
  106   HD13  LEU  13          3HD1      LEU  13   1.485   1.946  -3.799
  107   HD21  LEU  13          1HD2      LEU  13  -1.166  -0.278  -3.227
  108   HD22  LEU  13          2HD2      LEU  13  -0.310  -1.817  -3.257
  109   HD23  LEU  13          3HD2      LEU  13  -0.623  -0.952  -4.761
  110    H    GLY  14           HN       GLY  14   3.201  -0.116  -1.082
  111    HA2  GLY  14           HA2      GLY  14   5.877   0.701  -1.962
  112    HA3  GLY  14           HA1      GLY  14   4.894   1.499  -0.740
  113    H    ARG  15           HN       ARG  15   4.370  -1.385   0.296
  114    HA   ARG  15           HA       ARG  15   6.742  -1.462   2.036
  115    HB2  ARG  15           HB2      ARG  15   3.907  -2.387   2.352
  116    HB3  ARG  15           HB1      ARG  15   5.177  -3.090   3.345
  117    HG2  ARG  15           HG2      ARG  15   4.366  -1.385   4.673
  118    HG3  ARG  15           HG1      ARG  15   5.775  -0.644   3.909
  119    HD2  ARG  15           HD2      ARG  15   4.360   0.443   2.277
  120    HD3  ARG  15           HD1      ARG  15   2.938  -0.371   2.928
  121    HE   ARG  15           HE       ARG  15   2.855   1.184   4.607
  122   HH11  ARG  15          1HH1      ARG  15   5.986   1.352   3.073
  123   HH12  ARG  15          2HH1      ARG  15   6.466   2.781   3.925
  124   HH21  ARG  15          1HH2      ARG  15   3.484   3.065   5.727
  125   HH22  ARG  15          2HH2      ARG  15   5.045   3.754   5.432
  126    H    VAL  16           HN       VAL  16   6.650  -2.530  -0.685
  127    HA   VAL  16           HA       VAL  16   7.085  -5.395  -0.126
  128    HB   VAL  16           HB       VAL  16   5.299  -5.102  -1.776
  129   HG11  VAL  16          1HG1      VAL  16   5.530  -3.937  -3.803
  130   HG12  VAL  16          2HG1      VAL  16   7.276  -3.777  -3.607
  131   HG13  VAL  16          3HG1      VAL  16   6.185  -2.862  -2.569
  132   HG21  VAL  16          1HG2      VAL  16   7.631  -5.984  -3.415
  133   HG22  VAL  16          2HG2      VAL  16   6.030  -6.705  -3.254
  134   HG23  VAL  16          3HG2      VAL  16   7.209  -6.878  -1.954
  135    H    ILE  17           HN       ILE  17   8.060  -2.626  -2.032
  136    HA   ILE  17           HA       ILE  17  10.814  -3.162  -1.428
  137    HB   ILE  17           HB       ILE  17   9.923  -2.935  -4.316
  138   HG12  ILE  17          2HG1      ILE  17   9.503  -5.179  -3.347
  139   HG13  ILE  17          1HG1      ILE  17  10.733  -5.208  -4.606
  140   HG21  ILE  17          1HG2      ILE  17  11.956  -1.959  -4.449
  141   HG22  ILE  17          2HG2      ILE  17  12.512  -3.632  -4.445
  142   HG23  ILE  17          3HG2      ILE  17  12.528  -2.694  -2.951
  143   HD11  ILE  17          1HD1      ILE  17  10.954  -6.356  -2.146
  144   HD12  ILE  17          2HD1      ILE  17  11.816  -4.833  -1.927
  145   HD13  ILE  17          3HD1      ILE  17  12.301  -5.945  -3.207
  146    HA   PRO  18           HA       PRO  18   9.678   1.193  -1.521
  147    HB2  PRO  18           HB2      PRO  18  10.404   1.432   1.214
  148    HB3  PRO  18           HB1      PRO  18   8.767   1.355   0.561
  149    HG2  PRO  18           HG2      PRO  18   9.947  -0.586   2.163
  150    HG3  PRO  18           HG1      PRO  18   8.542  -0.850   1.117
  151    HD2  PRO  18           HD2      PRO  18  11.399  -1.343   0.556
  152    HD3  PRO  18           HD1      PRO  18  10.042  -2.408   0.215
  153    H    LYS  19           HN       LYS  19  11.092   2.966  -0.475
  154    HA   LYS  19           HA       LYS  19  13.643   2.868  -1.657
  155    HB2  LYS  19           HB2      LYS  19  13.992   5.075  -0.768
  156    HB3  LYS  19           HB1      LYS  19  12.326   4.954  -1.313
  157    HG2  LYS  19           HG2      LYS  19  11.663   5.663   0.673
  158    HG3  LYS  19           HG1      LYS  19  12.322   4.191   1.390
  159    HD2  LYS  19           HD2      LYS  19  14.558   5.751   1.026
  160    HD3  LYS  19           HD1      LYS  19  13.326   6.932   1.472
  161    HE2  LYS  19           HE2      LYS  19  13.145   6.141   3.580
  162    HE3  LYS  19           HE1      LYS  19  13.374   4.466   3.082
  163    HZ1  LYS  19           HZ1      LYS  19  15.773   5.044   2.760
  164    HZ2  LYS  19           HZ2      LYS  19  15.244   5.069   4.366
  165    HZ3  LYS  19           HZ3      LYS  19  15.463   6.521   3.525
  166    H    VAL  20           HN       VAL  20  12.500   2.194   1.564
  167    HA   VAL  20           HA       VAL  20  13.513   1.303   3.397
  168    HB   VAL  20           HB       VAL  20  15.864   0.715   1.597
  169   HG11  VAL  20          1HG1      VAL  20  16.617   0.190   3.691
  170   HG12  VAL  20          2HG1      VAL  20  15.830  -1.329   3.263
  171   HG13  VAL  20          3HG1      VAL  20  15.002  -0.169   4.303
  172   HG21  VAL  20          1HG2      VAL  20  14.334  -0.435   0.398
  173   HG22  VAL  20          2HG2      VAL  20  13.169  -0.476   1.722
  174   HG23  VAL  20          3HG2      VAL  20  14.515  -1.615   1.697
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -15.458  -0.944   1.851
    2    H2   GLY   1           HT2      GLY   1 -15.213  -2.575   2.226
    3    H3   GLY   1           HT3      GLY   1 -16.077  -2.148   0.836
    4    HA2  GLY   1           HA1      GLY   1 -13.311  -1.210   1.145
    5    HA3  GLY   1           HA2      GLY   1 -13.598  -2.873   0.658
    6    H    LEU   2           HN       LEU   2 -12.533  -2.330  -1.345
    7    HA   LEU   2           HA       LEU   2 -12.539  -1.844  -3.568
    8    HB2  LEU   2           HB2      LEU   2 -15.463  -1.862  -2.938
    9    HB3  LEU   2           HB1      LEU   2 -14.931  -1.307  -4.513
   10    HG   LEU   2           HG       LEU   2 -15.607  -3.699  -4.462
   11   HD11  LEU   2          1HD1      LEU   2 -14.289  -3.385  -6.280
   12   HD12  LEU   2          2HD1      LEU   2 -13.227  -4.467  -5.380
   13   HD13  LEU   2          3HD1      LEU   2 -12.953  -2.726  -5.337
   14   HD21  LEU   2          1HD2      LEU   2 -14.338  -3.845  -2.096
   15   HD22  LEU   2          2HD2      LEU   2 -13.081  -4.482  -3.157
   16   HD23  LEU   2          3HD2      LEU   2 -14.670  -5.247  -3.113
   17    H    GLY   3           HN       GLY   3 -11.316   0.040  -3.197
   18    HA2  GLY   3           HA2      GLY   3 -11.091   2.260  -4.033
   19    HA3  GLY   3           HA1      GLY   3 -12.811   2.504  -3.760
   20    H    SER   4           HN       SER   4 -12.787   1.360  -1.103
   21    HA   SER   4           HA       SER   4 -11.882   3.699   0.351
   22    HB2  SER   4           HB2      SER   4 -12.973   1.345   1.805
   23    HB3  SER   4           HB1      SER   4 -13.335   3.059   2.006
   24    HG   SER   4           HG       SER   4 -14.429   2.821  -0.118
   25    H    VAL   5           HN       VAL   5 -11.161   0.312   0.018
   26    HA   VAL   5           HA       VAL   5  -9.164   0.190   2.072
   27    HB   VAL   5           HB       VAL   5  -9.392  -1.653  -0.260
   28   HG11  VAL   5          1HG1      VAL   5  -7.495  -1.869   1.347
   29   HG12  VAL   5          2HG1      VAL   5  -8.501  -3.312   1.226
   30   HG13  VAL   5          3HG1      VAL   5  -8.673  -2.231   2.609
   31   HG21  VAL   5          1HG2      VAL   5 -11.570  -1.881   0.316
   32   HG22  VAL   5          2HG2      VAL   5 -11.312  -1.275   1.952
   33   HG23  VAL   5          3HG2      VAL   5 -10.895  -2.942   1.552
   34    H    PHE   6           HN       PHE   6  -9.297   0.852  -1.346
   35    HA   PHE   6           HA       PHE   6  -6.805   0.406  -2.295
   36    HB2  PHE   6           HB2      PHE   6  -7.483   1.676  -4.025
   37    HB3  PHE   6           HB1      PHE   6  -8.981   1.879  -3.123
   38    HD1  PHE   6           HD1      PHE   6  -6.574   3.584  -4.892
   39    HD2  PHE   6           HD2      PHE   6  -8.746   3.820  -1.241
   40    HE1  PHE   6           HE1      PHE   6  -6.199   6.014  -4.831
   41    HE2  PHE   6           HE2      PHE   6  -8.379   6.252  -1.174
   42    HZ   PHE   6           HZ       PHE   6  -7.103   7.352  -2.971
   43    H    GLY   7           HN       GLY   7  -7.690   2.664   0.160
   44    HA2  GLY   7           HA2      GLY   7  -5.364   4.315   0.054
   45    HA3  GLY   7           HA1      GLY   7  -6.463   4.160   1.419
   46    H    ARG   8           HN       ARG   8  -6.239   1.423   1.882
   47    HA   ARG   8           HA       ARG   8  -3.826   1.330   3.394
   48    HB2  ARG   8           HB2      ARG   8  -6.184  -0.416   2.986
   49    HB3  ARG   8           HB1      ARG   8  -4.702  -1.227   3.473
   50    HG2  ARG   8           HG2      ARG   8  -5.222  -0.721   5.565
   51    HG3  ARG   8           HG1      ARG   8  -4.881   0.965   5.168
   52    HD2  ARG   8           HD2      ARG   8  -7.384   0.778   4.221
   53    HD3  ARG   8           HD1      ARG   8  -7.467  -0.426   5.506
   54    HE   ARG   8           HE       ARG   8  -6.328   2.081   6.334
   55   HH11  ARG   8          1HH1      ARG   8  -9.288   0.285   5.897
   56   HH12  ARG   8          2HH1      ARG   8 -10.174   1.221   7.054
   57   HH21  ARG   8          1HH2      ARG   8  -7.491   3.312   7.857
   58   HH22  ARG   8          2HH2      ARG   8  -9.154   2.939   8.166
   59    H    LEU   9           HN       LEU   9  -5.031  -0.598   0.629
   60    HA   LEU   9           HA       LEU   9  -2.797  -2.159   0.188
   61    HB2  LEU   9           HB2      LEU   9  -4.916  -1.054  -1.599
   62    HB3  LEU   9           HB1      LEU   9  -3.538  -1.853  -2.331
   63    HG   LEU   9           HG       LEU   9  -4.218  -3.718  -0.508
   64   HD11  LEU   9          1HD1      LEU   9  -6.606  -2.024  -0.951
   65   HD12  LEU   9          2HD1      LEU   9  -6.137  -2.984   0.453
   66   HD13  LEU   9          3HD1      LEU   9  -6.837  -3.772  -0.961
   67   HD21  LEU   9          1HD2      LEU   9  -4.082  -3.608  -3.173
   68   HD22  LEU   9          2HD2      LEU   9  -5.829  -3.763  -2.990
   69   HD23  LEU   9          3HD2      LEU   9  -4.759  -4.987  -2.307
   70    H    ALA  10           HN       ALA  10  -3.336   1.190  -0.642
   71    HA   ALA  10           HA       ALA  10  -1.372   1.723  -2.484
   72    HB1  ALA  10           HB1      ALA  10  -2.183   3.478  -0.174
   73    HB2  ALA  10           HB2      ALA  10  -3.015   3.360  -1.725
   74    HB3  ALA  10           HB3      ALA  10  -1.376   4.008  -1.650
   75    H    ARG  11           HN       ARG  11  -0.936   0.810   0.805
   76    HA   ARG  11           HA       ARG  11   1.757   1.825   0.951
   77    HB2  ARG  11           HB2      ARG  11   1.737   1.240   3.224
   78    HB3  ARG  11           HB1      ARG  11   0.105   1.798   2.896
   79    HG2  ARG  11           HG2      ARG  11  -0.330  -0.767   2.487
   80    HG3  ARG  11           HG1      ARG  11   1.089  -0.934   3.521
   81    HD2  ARG  11           HD2      ARG  11  -1.457   0.540   4.184
   82    HD3  ARG  11           HD1      ARG  11  -0.936  -1.006   4.852
   83    HE   ARG  11           HE       ARG  11   0.927   1.149   5.273
   84   HH11  ARG  11          1HH1      ARG  11  -1.873  -0.517   6.527
   85   HH12  ARG  11          2HH1      ARG  11  -1.591  -0.019   8.161
   86   HH21  ARG  11          1HH2      ARG  11   1.297   1.803   7.423
   87   HH22  ARG  11          2HH2      ARG  11   0.207   1.297   8.670
   88    H    ILE  12           HN       ILE  12   0.122  -1.345   0.770
   89    HA   ILE  12           HA       ILE  12   2.366  -2.942   1.103
   90    HB   ILE  12           HB       ILE  12   1.259  -4.664  -0.223
   91   HG12  ILE  12          2HG1      ILE  12  -1.194  -3.031  -0.565
   92   HG13  ILE  12          1HG1      ILE  12   0.127  -2.701  -1.677
   93   HG21  ILE  12          1HG2      ILE  12  -1.016  -4.453   1.166
   94   HG22  ILE  12          2HG2      ILE  12  -0.059  -3.225   1.994
   95   HG23  ILE  12          3HG2      ILE  12   0.525  -4.886   1.906
   96   HD11  ILE  12          1HD1      ILE  12  -0.403  -4.471  -2.884
   97   HD12  ILE  12          2HD1      ILE  12  -1.794  -4.732  -1.831
   98   HD13  ILE  12          3HD1      ILE  12  -0.257  -5.522  -1.475
   99    H    LEU  13           HN       LEU  13   1.291  -1.169  -1.711
  100    HA   LEU  13           HA       LEU  13   3.113  -2.363  -3.547
  101    HB2  LEU  13           HB2      LEU  13   2.800   0.128  -4.583
  102    HB3  LEU  13           HB1      LEU  13   1.706  -1.207  -4.873
  103    HG   LEU  13           HG       LEU  13   1.109   0.426  -2.488
  104   HD11  LEU  13          1HD1      LEU  13  -0.148   1.945  -4.306
  105   HD12  LEU  13          2HD1      LEU  13   1.329   1.578  -5.197
  106   HD13  LEU  13          3HD1      LEU  13   1.422   2.357  -3.618
  107   HD21  LEU  13          1HD2      LEU  13  -0.256  -1.485  -3.354
  108   HD22  LEU  13          2HD2      LEU  13  -0.619  -0.507  -4.775
  109   HD23  LEU  13          3HD2      LEU  13  -1.146   0.026  -3.180
  110    H    GLY  14           HN       GLY  14   3.265   0.097  -1.119
  111    HA2  GLY  14           HA2      GLY  14   5.966   0.889  -1.959
  112    HA3  GLY  14           HA1      GLY  14   5.004   1.652  -0.698
  113    H    ARG  15           HN       ARG  15   4.404  -1.286   0.157
  114    HA   ARG  15           HA       ARG  15   6.750  -1.517   1.914
  115    HB2  ARG  15           HB2      ARG  15   3.884  -2.354   2.148
  116    HB3  ARG  15           HB1      ARG  15   5.109  -3.178   3.102
  117    HG2  ARG  15           HG2      ARG  15   4.307  -1.512   4.514
  118    HG3  ARG  15           HG1      ARG  15   5.812  -0.844   3.877
  119    HD2  ARG  15           HD2      ARG  15   4.493   0.376   2.171
  120    HD3  ARG  15           HD1      ARG  15   3.017  -0.225   2.925
  121    HE   ARG  15           HE       ARG  15   4.249   0.976   4.985
  122   HH11  ARG  15          1HH1      ARG  15   3.586   2.058   1.731
  123   HH12  ARG  15          2HH1      ARG  15   3.470   3.727   2.178
  124   HH21  ARG  15          1HH2      ARG  15   4.092   3.171   5.571
  125   HH22  ARG  15          2HH2      ARG  15   3.756   4.358   4.355
  126    H    VAL  16           HN       VAL  16   6.670  -2.420  -0.867
  127    HA   VAL  16           HA       VAL  16   7.009  -5.326  -0.485
  128    HB   VAL  16           HB       VAL  16   5.263  -4.844  -2.145
  129   HG11  VAL  16          1HG1      VAL  16   5.607  -3.592  -4.109
  130   HG12  VAL  16          2HG1      VAL  16   7.349  -3.512  -3.846
  131   HG13  VAL  16          3HG1      VAL  16   6.257  -2.611  -2.796
  132   HG21  VAL  16          1HG2      VAL  16   7.578  -5.749  -3.789
  133   HG22  VAL  16          2HG2      VAL  16   5.944  -6.403  -3.685
  134   HG23  VAL  16          3HG2      VAL  16   7.096  -6.697  -2.382
  135    H    ILE  17           HN       ILE  17   8.110  -2.468  -2.184
  136    HA   ILE  17           HA       ILE  17  10.830  -3.128  -1.553
  137    HB   ILE  17           HB       ILE  17  10.026  -2.698  -4.444
  138   HG12  ILE  17          2HG1      ILE  17   9.525  -4.986  -3.632
  139   HG13  ILE  17          1HG1      ILE  17  10.797  -4.970  -4.849
  140   HG21  ILE  17          1HG2      ILE  17  12.086  -1.778  -4.476
  141   HG22  ILE  17          2HG2      ILE  17  12.606  -3.462  -4.530
  142   HG23  ILE  17          3HG2      ILE  17  12.591  -2.593  -2.995
  143   HD11  ILE  17          1HD1      ILE  17  10.889  -6.229  -2.409
  144   HD12  ILE  17          2HD1      ILE  17  11.847  -4.770  -2.155
  145   HD13  ILE  17          3HD1      ILE  17  12.264  -5.884  -3.458
  146    HA   PRO  18           HA       PRO  18   9.827   1.258  -1.392
  147    HB2  PRO  18           HB2      PRO  18  10.468   1.285   1.377
  148    HB3  PRO  18           HB1      PRO  18   8.853   1.313   0.667
  149    HG2  PRO  18           HG2      PRO  18   9.903  -0.773   2.169
  150    HG3  PRO  18           HG1      PRO  18   8.535  -0.919   1.052
  151    HD2  PRO  18           HD2      PRO  18  11.399  -1.460   0.567
  152    HD3  PRO  18           HD1      PRO  18  10.028  -2.462   0.110
  153    H    LYS  19           HN       LYS  19  11.255   2.912  -0.186
  154    HA   LYS  19           HA       LYS  19  13.837   2.827  -1.294
  155    HB2  LYS  19           HB2      LYS  19  14.229   4.941  -0.183
  156    HB3  LYS  19           HB1      LYS  19  12.604   4.925  -0.854
  157    HG2  LYS  19           HG2      LYS  19  11.700   5.294   1.135
  158    HG3  LYS  19           HG1      LYS  19  12.596   3.958   1.859
  159    HD2  LYS  19           HD2      LYS  19  14.272   6.276   1.303
  160    HD3  LYS  19           HD1      LYS  19  12.946   6.639   2.409
  161    HE2  LYS  19           HE2      LYS  19  14.336   5.854   3.986
  162    HE3  LYS  19           HE1      LYS  19  13.830   4.270   3.400
  163    HZ1  LYS  19           HZ1      LYS  19  16.218   5.751   2.437
  164    HZ2  LYS  19           HZ2      LYS  19  15.753   4.191   1.976
  165    HZ3  LYS  19           HZ3      LYS  19  16.251   4.489   3.564
  166    H    VAL  20           HN       VAL  20  12.586   1.865   1.799
  167    HA   VAL  20           HA       VAL  20  13.534   0.844   3.599
  168    HB   VAL  20           HB       VAL  20  15.916   0.318   1.823
  169   HG11  VAL  20          1HG1      VAL  20  16.548  -0.383   3.917
  170   HG12  VAL  20          2HG1      VAL  20  15.786  -1.847   3.295
  171   HG13  VAL  20          3HG1      VAL  20  14.901  -0.792   4.397
  172   HG21  VAL  20          1HG2      VAL  20  14.400  -0.673   0.477
  173   HG22  VAL  20          2HG2      VAL  20  13.178  -0.770   1.745
  174   HG23  VAL  20          3HG2      VAL  20  14.479  -1.960   1.681
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -15.586  -0.770   1.263
    2    H2   GLY   1           HT2      GLY   1 -15.361  -2.299   1.949
    3    H3   GLY   1           HT3      GLY   1 -16.166  -2.147   0.470
    4    HA2  GLY   1           HA1      GLY   1 -13.359  -1.287   0.828
    5    HA3  GLY   1           HA2      GLY   1 -13.776  -2.934   0.378
    6    H    LEU   2           HN       LEU   2 -12.384  -2.248  -1.505
    7    HA   LEU   2           HA       LEU   2 -12.243  -1.870  -3.747
    8    HB2  LEU   2           HB2      LEU   2 -15.154  -1.234  -3.946
    9    HB3  LEU   2           HB1      LEU   2 -14.124  -2.089  -5.077
   10    HG   LEU   2           HG       LEU   2 -15.282  -3.166  -2.508
   11   HD11  LEU   2          1HD1      LEU   2 -16.784  -4.274  -3.758
   12   HD12  LEU   2          2HD1      LEU   2 -15.650  -4.540  -5.081
   13   HD13  LEU   2          3HD1      LEU   2 -16.468  -2.986  -4.920
   14   HD21  LEU   2          1HD2      LEU   2 -13.321  -4.306  -2.458
   15   HD22  LEU   2          2HD2      LEU   2 -13.029  -4.101  -4.185
   16   HD23  LEU   2          3HD2      LEU   2 -14.176  -5.317  -3.623
   17    H    GLY   3           HN       GLY   3 -11.078   0.047  -3.109
   18    HA2  GLY   3           HA2      GLY   3 -10.784   2.240  -4.075
   19    HA3  GLY   3           HA1      GLY   3 -12.516   2.495  -3.905
   20    H    SER   4           HN       SER   4 -12.686   1.441  -1.233
   21    HA   SER   4           HA       SER   4 -11.814   3.796   0.213
   22    HB2  SER   4           HB2      SER   4 -13.026   1.556   1.719
   23    HB3  SER   4           HB1      SER   4 -13.432   3.272   1.730
   24    HG   SER   4           HG       SER   4 -14.336   2.805  -0.452
   25    H    VAL   5           HN       VAL   5 -11.090   0.412  -0.049
   26    HA   VAL   5           HA       VAL   5  -9.257   0.289   2.160
   27    HB   VAL   5           HB       VAL   5  -9.362  -1.570  -0.170
   28   HG11  VAL   5          1HG1      VAL   5  -7.637  -1.605   1.823
   29   HG12  VAL   5          2HG1      VAL   5  -8.284  -3.101   1.149
   30   HG13  VAL   5          3HG1      VAL   5  -8.953  -2.445   2.643
   31   HG21  VAL   5          1HG2      VAL   5 -11.434  -1.081   1.828
   32   HG22  VAL   5          2HG2      VAL   5 -10.947  -2.773   1.718
   33   HG23  VAL   5          3HG2      VAL   5 -11.529  -1.928   0.284
   34    H    PHE   6           HN       PHE   6  -9.136   0.902  -1.272
   35    HA   PHE   6           HA       PHE   6  -6.583   0.422  -2.023
   36    HB2  PHE   6           HB2      PHE   6  -7.117   1.659  -3.826
   37    HB3  PHE   6           HB1      PHE   6  -8.679   1.884  -3.050
   38    HD1  PHE   6           HD1      PHE   6  -8.554   3.863  -1.176
   39    HD2  PHE   6           HD2      PHE   6  -6.170   3.546  -4.686
   40    HE1  PHE   6           HE1      PHE   6  -8.181   6.296  -1.138
   41    HE2  PHE   6           HE2      PHE   6  -5.792   5.977  -4.654
   42    HZ   PHE   6           HZ       PHE   6  -6.798   7.355  -2.878
   43    H    GLY   7           HN       GLY   7  -7.627   2.730   0.320
   44    HA2  GLY   7           HA2      GLY   7  -5.356   4.425   0.358
   45    HA3  GLY   7           HA1      GLY   7  -6.475   4.178   1.694
   46    H    ARG   8           HN       ARG   8  -6.121   1.416   2.026
   47    HA   ARG   8           HA       ARG   8  -3.662   1.407   3.525
   48    HB2  ARG   8           HB2      ARG   8  -6.029  -0.382   3.266
   49    HB3  ARG   8           HB1      ARG   8  -4.527  -1.099   3.832
   50    HG2  ARG   8           HG2      ARG   8  -6.042  -0.351   5.646
   51    HG3  ARG   8           HG1      ARG   8  -4.441   0.388   5.701
   52    HD2  ARG   8           HD2      ARG   8  -6.046   2.101   6.128
   53    HD3  ARG   8           HD1      ARG   8  -5.398   2.361   4.508
   54    HE   ARG   8           HE       ARG   8  -7.604   0.904   4.022
   55   HH11  ARG   8          1HH1      ARG   8  -7.066   3.781   5.925
   56   HH12  ARG   8          2HH1      ARG   8  -8.664   4.398   5.671
   57   HH21  ARG   8          1HH2      ARG   8  -9.702   1.718   3.683
   58   HH22  ARG   8          2HH2      ARG   8 -10.161   3.227   4.397
   59    H    LEU   9           HN       LEU   9  -5.026  -0.527   0.848
   60    HA   LEU   9           HA       LEU   9  -2.872  -2.200   0.378
   61    HB2  LEU   9           HB2      LEU   9  -5.010  -1.047  -1.350
   62    HB3  LEU   9           HB1      LEU   9  -3.678  -1.880  -2.129
   63    HG   LEU   9           HG       LEU   9  -4.364  -3.702  -0.235
   64   HD11  LEU   9          1HD1      LEU   9  -6.734  -2.000  -0.771
   65   HD12  LEU   9          2HD1      LEU   9  -6.276  -2.882   0.686
   66   HD13  LEU   9          3HD1      LEU   9  -6.970  -3.746  -0.686
   67   HD21  LEU   9          1HD2      LEU   9  -4.189  -3.674  -2.894
   68   HD22  LEU   9          2HD2      LEU   9  -5.942  -3.777  -2.740
   69   HD23  LEU   9          3HD2      LEU   9  -4.918  -5.011  -2.005
   70    H    ALA  10           HN       ALA  10  -3.368   1.119  -0.640
   71    HA   ALA  10           HA       ALA  10  -1.377   1.523  -2.479
   72    HB1  ALA  10           HB1      ALA  10  -2.971   3.240  -1.908
   73    HB2  ALA  10           HB2      ALA  10  -1.332   3.863  -1.716
   74    HB3  ALA  10           HB3      ALA  10  -2.271   3.397  -0.297
   75    H    ARG  11           HN       ARG  11  -0.986   0.800   0.865
   76    HA   ARG  11           HA       ARG  11   1.713   1.804   0.970
   77    HB2  ARG  11           HB2      ARG  11   1.628   1.520   3.256
   78    HB3  ARG  11           HB1      ARG  11  -0.066   1.795   2.888
   79    HG2  ARG  11           HG2      ARG  11  -0.046  -0.865   2.727
   80    HG3  ARG  11           HG1      ARG  11   1.301  -0.649   3.842
   81    HD2  ARG  11           HD2      ARG  11  -1.587   0.025   4.182
   82    HD3  ARG  11           HD1      ARG  11  -0.498  -0.821   5.278
   83    HE   ARG  11           HE       ARG  11   0.458   1.759   5.109
   84   HH11  ARG  11          1HH1      ARG  11  -2.511   0.213   6.097
   85   HH12  ARG  11          2HH1      ARG  11  -2.918   1.443   7.246
   86   HH21  ARG  11          1HH2      ARG  11  -0.078   3.383   6.618
   87   HH22  ARG  11          2HH2      ARG  11  -1.538   3.242   7.541
   88    H    ILE  12           HN       ILE  12   0.069  -1.370   0.934
   89    HA   ILE  12           HA       ILE  12   2.333  -2.946   1.338
   90    HB   ILE  12           HB       ILE  12   1.211  -4.739   0.113
   91   HG12  ILE  12          2HG1      ILE  12  -1.229  -3.079  -0.272
   92   HG13  ILE  12          1HG1      ILE  12   0.069  -2.898  -1.445
   93   HG21  ILE  12          1HG2      ILE  12  -1.008  -4.557   1.524
   94   HG22  ILE  12          2HG2      ILE  12  -0.162  -3.184   2.239
   95   HG23  ILE  12          3HG2      ILE  12   0.558  -4.793   2.300
   96   HD11  ILE  12          1HD1      ILE  12  -0.695  -4.676  -2.501
   97   HD12  ILE  12          2HD1      ILE  12  -1.907  -4.938  -1.246
   98   HD13  ILE  12          3HD1      ILE  12  -0.304  -5.657  -1.089
   99    H    LEU  13           HN       LEU  13   1.187  -1.334  -1.534
  100    HA   LEU  13           HA       LEU  13   2.981  -2.588  -3.355
  101    HB2  LEU  13           HB2      LEU  13   2.603  -0.157  -4.505
  102    HB3  LEU  13           HB1      LEU  13   1.520  -1.520  -4.695
  103    HG   LEU  13           HG       LEU  13   0.951   0.195  -2.371
  104   HD11  LEU  13          1HD1      LEU  13  -0.329   1.669  -4.213
  105   HD12  LEU  13          2HD1      LEU  13   1.144   1.288  -5.104
  106   HD13  LEU  13          3HD1      LEU  13   1.245   2.101  -3.543
  107   HD21  LEU  13          1HD2      LEU  13  -0.422  -1.740  -3.194
  108   HD22  LEU  13          2HD2      LEU  13  -0.810  -0.775  -4.618
  109   HD23  LEU  13          3HD2      LEU  13  -1.310  -0.228  -3.020
  110    H    GLY  14           HN       GLY  14   3.178  -0.053  -1.025
  111    HA2  GLY  14           HA2      GLY  14   5.822   0.778  -1.987
  112    HA3  GLY  14           HA1      GLY  14   4.897   1.539  -0.697
  113    H    ARG  15           HN       ARG  15   4.383  -1.378   0.239
  114    HA   ARG  15           HA       ARG  15   6.817  -1.547   1.886
  115    HB2  ARG  15           HB2      ARG  15   3.987  -2.465   2.270
  116    HB3  ARG  15           HB1      ARG  15   5.287  -3.211   3.188
  117    HG2  ARG  15           HG2      ARG  15   4.456  -1.536   4.583
  118    HG3  ARG  15           HG1      ARG  15   5.925  -0.846   3.891
  119    HD2  ARG  15           HD2      ARG  15   4.510   0.270   2.173
  120    HD3  ARG  15           HD1      ARG  15   3.085  -0.314   3.030
  121    HE   ARG  15           HE       ARG  15   4.675   1.937   3.708
  122   HH11  ARG  15          1HH1      ARG  15   2.809  -0.648   5.132
  123   HH12  ARG  15          2HH1      ARG  15   2.459   0.238   6.578
  124   HH21  ARG  15          1HH2      ARG  15   4.207   3.100   5.604
  125   HH22  ARG  15          2HH2      ARG  15   3.250   2.363   6.845
  126    H    VAL  16           HN       VAL  16   6.628  -2.490  -0.873
  127    HA   VAL  16           HA       VAL  16   7.028  -5.386  -0.472
  128    HB   VAL  16           HB       VAL  16   5.208  -4.918  -2.076
  129   HG11  VAL  16          1HG1      VAL  16   5.530  -3.755  -4.114
  130   HG12  VAL  16          2HG1      VAL  16   7.269  -3.631  -3.848
  131   HG13  VAL  16          3HG1      VAL  16   6.154  -2.719  -2.832
  132   HG21  VAL  16          1HG2      VAL  16   7.737  -6.088  -3.211
  133   HG22  VAL  16          2HG2      VAL  16   6.173  -6.187  -4.021
  134   HG23  VAL  16          3HG2      VAL  16   6.397  -6.937  -2.440
  135    H    ILE  17           HN       ILE  17   8.015  -2.522  -2.223
  136    HA   ILE  17           HA       ILE  17  10.766  -3.139  -1.693
  137    HB   ILE  17           HB       ILE  17   9.846  -2.718  -4.551
  138   HG12  ILE  17          2HG1      ILE  17   9.401  -5.016  -3.722
  139   HG13  ILE  17          1HG1      ILE  17  10.619  -4.980  -4.994
  140   HG21  ILE  17          1HG2      ILE  17  11.891  -1.776  -4.662
  141   HG22  ILE  17          2HG2      ILE  17  12.428  -3.454  -4.738
  142   HG23  ILE  17          3HG2      ILE  17  12.462  -2.586  -3.203
  143   HD11  ILE  17          1HD1      ILE  17  10.830  -6.241  -2.558
  144   HD12  ILE  17          2HD1      ILE  17  11.787  -4.775  -2.352
  145   HD13  ILE  17          3HD1      ILE  17  12.151  -5.887  -3.671
  146    HA   PRO  18           HA       PRO  18   9.696   1.233  -1.508
  147    HB2  PRO  18           HB2      PRO  18  10.421   1.294   1.236
  148    HB3  PRO  18           HB1      PRO  18   8.784   1.280   0.579
  149    HG2  PRO  18           HG2      PRO  18   9.936  -0.771   2.061
  150    HG3  PRO  18           HG1      PRO  18   8.526  -0.952   1.004
  151    HD2  PRO  18           HD2      PRO  18  11.376  -1.452   0.409
  152    HD3  PRO  18           HD1      PRO  18  10.002  -2.474   0.007
  153    H    LYS  19           HN       LYS  19  11.143   2.915  -0.350
  154    HA   LYS  19           HA       LYS  19  13.718   2.779  -1.515
  155    HB2  LYS  19           HB2      LYS  19  14.112   4.964  -0.501
  156    HB3  LYS  19           HB1      LYS  19  12.530   4.907  -1.264
  157    HG2  LYS  19           HG2      LYS  19  11.537   5.465   0.631
  158    HG3  LYS  19           HG1      LYS  19  12.299   4.120   1.479
  159    HD2  LYS  19           HD2      LYS  19  14.208   6.227   0.999
  160    HD3  LYS  19           HD1      LYS  19  12.787   6.857   1.831
  161    HE2  LYS  19           HE2      LYS  19  13.506   5.985   3.740
  162    HE3  LYS  19           HE1      LYS  19  13.484   4.373   3.026
  163    HZ1  LYS  19           HZ1      LYS  19  15.719   4.690   2.247
  164    HZ2  LYS  19           HZ2      LYS  19  15.672   5.005   3.908
  165    HZ3  LYS  19           HZ3      LYS  19  15.745   6.287   2.806
  166    H    VAL  20           HN       VAL  20  12.473   2.147   1.681
  167    HA   VAL  20           HA       VAL  20  13.415   1.272   3.559
  168    HB   VAL  20           HB       VAL  20  15.755   0.487   1.824
  169   HG11  VAL  20          1HG1      VAL  20  16.348   0.015   4.010
  170   HG12  VAL  20          2HG1      VAL  20  15.623  -1.504   3.484
  171   HG13  VAL  20          3HG1      VAL  20  14.696  -0.383   4.482
  172   HG21  VAL  20          1HG2      VAL  20  14.197  -0.582   0.591
  173   HG22  VAL  20          2HG2      VAL  20  12.978  -0.493   1.862
  174   HG23  VAL  20          3HG2      VAL  20  14.225  -1.738   1.923
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -15.599  -0.861   1.360
    2    H2   GLY   1           HT2      GLY   1 -15.084  -2.249   2.177
    3    H3   GLY   1           HT3      GLY   1 -15.977  -2.392   0.748
    4    HA2  GLY   1           HA1      GLY   1 -13.282  -1.164   0.925
    5    HA3  GLY   1           HA2      GLY   1 -13.576  -2.827   0.443
    6    H    LEU   2           HN       LEU   2 -12.497  -2.264  -1.552
    7    HA   LEU   2           HA       LEU   2 -12.509  -1.806  -3.779
    8    HB2  LEU   2           HB2      LEU   2 -15.474  -1.527  -3.284
    9    HB3  LEU   2           HB1      LEU   2 -14.745  -1.435  -4.875
   10    HG   LEU   2           HG       LEU   2 -15.730  -3.642  -4.415
   11   HD11  LEU   2          1HD1      LEU   2 -13.568  -4.970  -4.850
   12   HD12  LEU   2          2HD1      LEU   2 -12.780  -3.393  -4.858
   13   HD13  LEU   2          3HD1      LEU   2 -14.057  -3.744  -6.021
   14   HD21  LEU   2          1HD2      LEU   2 -15.137  -3.500  -1.928
   15   HD22  LEU   2          2HD2      LEU   2 -13.547  -4.091  -2.408
   16   HD23  LEU   2          3HD2      LEU   2 -14.981  -5.068  -2.722
   17    H    GLY   3           HN       GLY   3 -11.283   0.089  -3.082
   18    HA2  GLY   3           HA2      GLY   3 -11.010   2.298  -4.049
   19    HA3  GLY   3           HA1      GLY   3 -12.725   2.571  -3.769
   20    H    SER   4           HN       SER   4 -12.732   1.421  -1.121
   21    HA   SER   4           HA       SER   4 -11.764   3.727   0.345
   22    HB2  SER   4           HB2      SER   4 -12.885   1.432   1.842
   23    HB3  SER   4           HB1      SER   4 -13.273   3.147   1.955
   24    HG   SER   4           HG       SER   4 -14.339   2.795  -0.165
   25    H    VAL   5           HN       VAL   5 -11.141   0.321   0.004
   26    HA   VAL   5           HA       VAL   5  -9.153   0.123   2.053
   27    HB   VAL   5           HB       VAL   5  -9.391  -1.661  -0.324
   28   HG11  VAL   5          1HG1      VAL   5  -7.514  -1.954   1.290
   29   HG12  VAL   5          2HG1      VAL   5  -8.550  -3.373   1.135
   30   HG13  VAL   5          3HG1      VAL   5  -8.706  -2.316   2.538
   31   HG21  VAL   5          1HG2      VAL   5 -11.408  -1.179   1.707
   32   HG22  VAL   5          2HG2      VAL   5 -10.915  -2.871   1.647
   33   HG23  VAL   5          3HG2      VAL   5 -11.525  -2.078   0.194
   34    H    PHE   6           HN       PHE   6  -9.242   0.867  -1.352
   35    HA   PHE   6           HA       PHE   6  -6.731   0.406  -2.265
   36    HB2  PHE   6           HB2      PHE   6  -7.642   1.497  -3.993
   37    HB3  PHE   6           HB1      PHE   6  -8.892   2.160  -2.949
   38    HD1  PHE   6           HD1      PHE   6  -5.834   2.817  -4.758
   39    HD2  PHE   6           HD2      PHE   6  -8.539   4.357  -1.857
   40    HE1  PHE   6           HE1      PHE   6  -4.893   5.066  -5.082
   41    HE2  PHE   6           HE2      PHE   6  -7.603   6.610  -2.175
   42    HZ   PHE   6           HZ       PHE   6  -5.778   6.967  -3.789
   43    H    GLY   7           HN       GLY   7  -7.669   2.634   0.194
   44    HA2  GLY   7           HA2      GLY   7  -5.331   4.276   0.163
   45    HA3  GLY   7           HA1      GLY   7  -6.474   4.123   1.491
   46    H    ARG   8           HN       ARG   8  -6.276   1.362   1.909
   47    HA   ARG   8           HA       ARG   8  -3.921   1.243   3.518
   48    HB2  ARG   8           HB2      ARG   8  -6.230  -0.560   2.952
   49    HB3  ARG   8           HB1      ARG   8  -4.779  -1.269   3.649
   50    HG2  ARG   8           HG2      ARG   8  -6.226  -0.734   5.442
   51    HG3  ARG   8           HG1      ARG   8  -4.922   0.456   5.461
   52    HD2  ARG   8           HD2      ARG   8  -6.499   1.917   4.064
   53    HD3  ARG   8           HD1      ARG   8  -7.766   0.798   4.565
   54    HE   ARG   8           HE       ARG   8  -6.477   2.800   6.176
   55   HH11  ARG   8          1HH1      ARG   8  -8.248  -0.207   6.218
   56   HH12  ARG   8          2HH1      ARG   8  -8.832   0.016   7.832
   57   HH21  ARG   8          1HH2      ARG   8  -7.248   3.094   8.300
   58   HH22  ARG   8          2HH2      ARG   8  -8.266   1.888   9.013
   59    H    LEU   9           HN       LEU   9  -5.043  -0.654   0.697
   60    HA   LEU   9           HA       LEU   9  -2.767  -2.209   0.355
   61    HB2  LEU   9           HB2      LEU   9  -4.756  -1.125  -1.623
   62    HB3  LEU   9           HB1      LEU   9  -3.445  -2.180  -2.116
   63    HG   LEU   9           HG       LEU   9  -4.611  -3.546  -0.004
   64   HD11  LEU   9          1HD1      LEU   9  -6.475  -1.726  -0.457
   65   HD12  LEU   9          2HD1      LEU   9  -6.881  -3.398  -0.072
   66   HD13  LEU   9          3HD1      LEU   9  -6.909  -2.848  -1.747
   67   HD21  LEU   9          1HD2      LEU   9  -4.523  -3.763  -2.948
   68   HD22  LEU   9          2HD2      LEU   9  -5.726  -4.752  -2.119
   69   HD23  LEU   9          3HD2      LEU   9  -4.018  -4.910  -1.707
   70    H    ALA  10           HN       ALA  10  -3.402   1.087  -0.617
   71    HA   ALA  10           HA       ALA  10  -1.439   1.633  -2.436
   72    HB1  ALA  10           HB1      ALA  10  -1.448   3.947  -1.522
   73    HB2  ALA  10           HB2      ALA  10  -2.443   3.362  -0.189
   74    HB3  ALA  10           HB3      ALA  10  -3.051   3.287  -1.843
   75    H    ARG  11           HN       ARG  11  -0.976   0.813   0.880
   76    HA   ARG  11           HA       ARG  11   1.694   1.894   0.982
   77    HB2  ARG  11           HB2      ARG  11   1.706   1.383   3.274
   78    HB3  ARG  11           HB1      ARG  11   0.063   1.910   2.942
   79    HG2  ARG  11           HG2      ARG  11  -0.269  -0.715   2.601
   80    HG3  ARG  11           HG1      ARG  11   1.087  -0.748   3.727
   81    HD2  ARG  11           HD2      ARG  11  -1.650   0.424   4.115
   82    HD3  ARG  11           HD1      ARG  11  -0.832  -0.805   5.078
   83    HE   ARG  11           HE       ARG  11   0.690   1.520   5.223
   84   HH11  ARG  11          1HH1      ARG  11  -2.467   0.397   6.190
   85   HH12  ARG  11          2HH1      ARG  11  -2.575   1.473   7.542
   86   HH21  ARG  11          1HH2      ARG  11   0.550   2.943   6.998
   87   HH22  ARG  11          2HH2      ARG  11  -0.863   2.921   8.001
   88    H    ILE  12           HN       ILE  12   0.122  -1.308   0.886
   89    HA   ILE  12           HA       ILE  12   2.400  -2.854   1.277
   90    HB   ILE  12           HB       ILE  12   1.320  -4.641   0.004
   91   HG12  ILE  12          2HG1      ILE  12  -1.144  -3.021  -0.383
   92   HG13  ILE  12          1HG1      ILE  12   0.166  -2.783  -1.532
   93   HG21  ILE  12          1HG2      ILE  12  -0.795  -4.721   1.412
   94   HG22  ILE  12          2HG2      ILE  12  -0.307  -3.144   2.032
   95   HG23  ILE  12          3HG2      ILE  12   0.734  -4.547   2.272
   96   HD11  ILE  12          1HD1      ILE  12  -0.450  -4.597  -2.624
   97   HD12  ILE  12          2HD1      ILE  12  -1.781  -4.817  -1.487
   98   HD13  ILE  12          3HD1      ILE  12  -0.218  -5.572  -1.173
   99    H    LEU  13           HN       LEU  13   1.277  -1.200  -1.591
  100    HA   LEU  13           HA       LEU  13   3.117  -2.402  -3.397
  101    HB2  LEU  13           HB2      LEU  13   2.770   0.050  -4.498
  102    HB3  LEU  13           HB1      LEU  13   1.673  -1.295  -4.731
  103    HG   LEU  13           HG       LEU  13   1.113   0.401  -2.382
  104   HD11  LEU  13          1HD1      LEU  13  -0.161   1.923  -4.136
  105   HD12  LEU  13          2HD1      LEU  13   1.200   1.463  -5.159
  106   HD13  LEU  13          3HD1      LEU  13   1.488   2.281  -3.623
  107   HD21  LEU  13          1HD2      LEU  13  -1.142  -0.050  -2.986
  108   HD22  LEU  13          2HD2      LEU  13  -0.251  -1.548  -3.235
  109   HD23  LEU  13          3HD2      LEU  13  -0.682  -0.539  -4.614
  110    H    GLY  14           HN       GLY  14   3.255   0.063  -0.988
  111    HA2  GLY  14           HA2      GLY  14   5.922   0.926  -1.852
  112    HA3  GLY  14           HA1      GLY  14   4.965   1.639  -0.560
  113    H    ARG  15           HN       ARG  15   4.414  -1.256   0.334
  114    HA   ARG  15           HA       ARG  15   6.842  -1.510   1.979
  115    HB2  ARG  15           HB2      ARG  15   3.995  -2.407   2.349
  116    HB3  ARG  15           HB1      ARG  15   5.295  -3.138   3.279
  117    HG2  ARG  15           HG2      ARG  15   4.524  -1.482   4.687
  118    HG3  ARG  15           HG1      ARG  15   5.903  -0.708   3.904
  119    HD2  ARG  15           HD2      ARG  15   4.451   0.453   2.380
  120    HD3  ARG  15           HD1      ARG  15   3.048  -0.425   2.987
  121    HE   ARG  15           HE       ARG  15   4.207   1.913   4.111
  122   HH11  ARG  15          1HH1      ARG  15   2.602  -1.066   4.979
  123   HH12  ARG  15          2HH1      ARG  15   1.974  -0.439   6.466
  124   HH21  ARG  15          1HH2      ARG  15   3.380   2.735   6.066
  125   HH22  ARG  15          2HH2      ARG  15   2.415   1.718   7.083
  126    H    VAL  16           HN       VAL  16   6.607  -2.428  -0.797
  127    HA   VAL  16           HA       VAL  16   6.962  -5.333  -0.403
  128    HB   VAL  16           HB       VAL  16   5.131  -4.909  -1.971
  129   HG11  VAL  16          1HG1      VAL  16   5.319  -3.641  -3.936
  130   HG12  VAL  16          2HG1      VAL  16   7.075  -3.543  -3.806
  131   HG13  VAL  16          3HG1      VAL  16   6.056  -2.652  -2.677
  132   HG21  VAL  16          1HG2      VAL  16   7.680  -6.027  -3.085
  133   HG22  VAL  16          2HG2      VAL  16   6.194  -6.019  -4.034
  134   HG23  VAL  16          3HG2      VAL  16   6.253  -6.882  -2.497
  135    H    ILE  17           HN       ILE  17   7.973  -2.490  -2.180
  136    HA   ILE  17           HA       ILE  17  10.720  -3.187  -1.724
  137    HB   ILE  17           HB       ILE  17   9.734  -2.705  -4.551
  138   HG12  ILE  17          2HG1      ILE  17   9.242  -4.996  -3.734
  139   HG13  ILE  17          1HG1      ILE  17  10.416  -4.982  -5.045
  140   HG21  ILE  17          1HG2      ILE  17  12.316  -3.552  -4.750
  141   HG22  ILE  17          2HG2      ILE  17  12.366  -2.584  -3.276
  142   HG23  ILE  17          3HG2      ILE  17  11.798  -1.866  -4.783
  143   HD11  ILE  17          1HD1      ILE  17  10.664  -6.279  -2.628
  144   HD12  ILE  17          2HD1      ILE  17  11.689  -4.855  -2.450
  145   HD13  ILE  17          3HD1      ILE  17  11.953  -5.969  -3.791
  146    HA   PRO  18           HA       PRO  18   9.781   1.211  -1.458
  147    HB2  PRO  18           HB2      PRO  18  10.576   1.208   1.269
  148    HB3  PRO  18           HB1      PRO  18   8.923   1.255   0.654
  149    HG2  PRO  18           HG2      PRO  18  10.045  -0.851   2.077
  150    HG3  PRO  18           HG1      PRO  18   8.606  -0.974   1.049
  151    HD2  PRO  18           HD2      PRO  18  11.428  -1.547   0.380
  152    HD3  PRO  18           HD1      PRO  18  10.018  -2.526  -0.001
  153    H    LYS  19           HN       LYS  19  11.305   2.830  -0.308
  154    HA   LYS  19           HA       LYS  19  13.869   2.604  -1.510
  155    HB2  LYS  19           HB2      LYS  19  14.320   4.802  -0.569
  156    HB3  LYS  19           HB1      LYS  19  12.718   4.768  -1.293
  157    HG2  LYS  19           HG2      LYS  19  11.792   5.406   0.612
  158    HG3  LYS  19           HG1      LYS  19  12.527   4.052   1.470
  159    HD2  LYS  19           HD2      LYS  19  14.529   6.027   0.936
  160    HD3  LYS  19           HD1      LYS  19  13.139   6.802   1.695
  161    HE2  LYS  19           HE2      LYS  19  13.711   5.971   3.673
  162    HE3  LYS  19           HE1      LYS  19  13.685   4.331   3.027
  163    HZ1  LYS  19           HZ1      LYS  19  15.959   4.589   2.313
  164    HZ2  LYS  19           HZ2      LYS  19  15.846   4.932   3.966
  165    HZ3  LYS  19           HZ3      LYS  19  15.991   6.194   2.848
  166    H    VAL  20           HN       VAL  20  12.606   2.092   1.702
  167    HA   VAL  20           HA       VAL  20  13.522   1.224   3.595
  168    HB   VAL  20           HB       VAL  20  15.843   0.358   1.874
  169   HG11  VAL  20          1HG1      VAL  20  16.503  -0.164   3.994
  170   HG12  VAL  20          2HG1      VAL  20  15.563  -1.609   3.623
  171   HG13  VAL  20          3HG1      VAL  20  14.851  -0.318   4.591
  172   HG21  VAL  20          1HG2      VAL  20  14.259  -0.712   0.676
  173   HG22  VAL  20          2HG2      VAL  20  13.050  -0.576   1.954
  174   HG23  VAL  20          3HG2      VAL  20  14.280  -1.838   2.033
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -15.773  -0.855   0.674
    2    H2   GLY   1           HT2      GLY   1 -14.195  -0.297   0.911
    3    H3   GLY   1           HT3      GLY   1 -15.082  -0.900   2.218
    4    HA2  GLY   1           HA1      GLY   1 -13.431  -2.506   1.450
    5    HA3  GLY   1           HA2      GLY   1 -15.076  -3.105   1.296
    6    H    LEU   2           HN       LEU   2 -12.978  -1.000  -0.677
    7    HA   LEU   2           HA       LEU   2 -12.504  -2.778  -2.753
    8    HB2  LEU   2           HB2      LEU   2 -15.188  -2.021  -2.731
    9    HB3  LEU   2           HB1      LEU   2 -14.467  -1.018  -3.974
   10    HG   LEU   2           HG       LEU   2 -15.340  -3.004  -5.000
   11   HD11  LEU   2          1HD1      LEU   2 -13.508  -3.606  -6.267
   12   HD12  LEU   2          2HD1      LEU   2 -12.409  -3.568  -4.888
   13   HD13  LEU   2          3HD1      LEU   2 -12.995  -2.060  -5.591
   14   HD21  LEU   2          1HD2      LEU   2 -13.705  -4.481  -2.948
   15   HD22  LEU   2          2HD2      LEU   2 -14.414  -5.243  -4.372
   16   HD23  LEU   2          3HD2      LEU   2 -15.456  -4.507  -3.155
   17    H    GLY   3           HN       GLY   3 -13.777   0.548  -2.858
   18    HA2  GLY   3           HA2      GLY   3 -11.262   1.397  -4.116
   19    HA3  GLY   3           HA1      GLY   3 -12.782   2.280  -4.158
   20    H    SER   4           HN       SER   4 -12.958   1.584  -1.152
   21    HA   SER   4           HA       SER   4 -11.683   4.021  -0.248
   22    HB2  SER   4           HB2      SER   4 -12.948   2.206   1.728
   23    HB3  SER   4           HB1      SER   4 -13.126   3.949   1.522
   24    HG   SER   4           HG       SER   4 -14.354   3.342  -0.447
   25    H    VAL   5           HN       VAL   5 -11.164   0.633  -0.211
   26    HA   VAL   5           HA       VAL   5  -9.304   0.487   1.948
   27    HB   VAL   5           HB       VAL   5  -9.448  -1.328  -0.415
   28   HG11  VAL   5          1HG1      VAL   5  -7.727  -1.360   1.663
   29   HG12  VAL   5          2HG1      VAL   5  -8.211  -2.800   0.768
   30   HG13  VAL   5          3HG1      VAL   5  -9.005  -2.400   2.290
   31   HG21  VAL   5          1HG2      VAL   5 -11.593  -0.752   1.292
   32   HG22  VAL   5          2HG2      VAL   5 -10.974  -2.317   1.816
   33   HG23  VAL   5          3HG2      VAL   5 -11.470  -2.082   0.141
   34    H    PHE   6           HN       PHE   6  -9.189   1.361  -1.385
   35    HA   PHE   6           HA       PHE   6  -6.693   0.840  -2.276
   36    HB2  PHE   6           HB2      PHE   6  -7.219   2.322  -3.892
   37    HB3  PHE   6           HB1      PHE   6  -8.744   2.510  -3.031
   38    HD1  PHE   6           HD1      PHE   6  -5.789   4.134  -4.183
   39    HD2  PHE   6           HD2      PHE   6  -8.890   4.355  -1.277
   40    HE1  PHE   6           HE1      PHE   6  -5.295   6.520  -3.843
   41    HE2  PHE   6           HE2      PHE   6  -8.403   6.741  -0.932
   42    HZ   PHE   6           HZ       PHE   6  -6.603   7.827  -2.216
   43    H    GLY   7           HN       GLY   7  -7.556   2.895   0.352
   44    HA2  GLY   7           HA2      GLY   7  -5.167   4.435   0.507
   45    HA3  GLY   7           HA1      GLY   7  -6.310   4.168   1.818
   46    H    ARG   8           HN       ARG   8  -6.177   1.374   1.946
   47    HA   ARG   8           HA       ARG   8  -3.795   1.048   3.492
   48    HB2  ARG   8           HB2      ARG   8  -6.240  -0.511   2.943
   49    HB3  ARG   8           HB1      ARG   8  -4.808  -1.473   3.277
   50    HG2  ARG   8           HG2      ARG   8  -5.464  -1.237   5.407
   51    HG3  ARG   8           HG1      ARG   8  -4.652   0.325   5.278
   52    HD2  ARG   8           HD2      ARG   8  -7.502   0.129   4.447
   53    HD3  ARG   8           HD1      ARG   8  -7.128   0.125   6.170
   54    HE   ARG   8           HE       ARG   8  -5.728   2.244   5.155
   55   HH11  ARG   8          1HH1      ARG   8  -9.080   1.279   5.173
   56   HH12  ARG   8          2HH1      ARG   8  -9.678   2.904   5.146
   57   HH21  ARG   8          1HH2      ARG   8  -6.514   4.384   5.123
   58   HH22  ARG   8          2HH2      ARG   8  -8.223   4.666   5.118
   59    H    LEU   9           HN       LEU   9  -5.052  -0.565   0.557
   60    HA   LEU   9           HA       LEU   9  -2.851  -2.149  -0.011
   61    HB2  LEU   9           HB2      LEU   9  -4.943  -0.858  -1.715
   62    HB3  LEU   9           HB1      LEU   9  -3.607  -1.694  -2.483
   63    HG   LEU   9           HG       LEU   9  -4.395  -3.599  -0.740
   64   HD11  LEU   9          1HD1      LEU   9  -6.809  -1.924  -1.361
   65   HD12  LEU   9          2HD1      LEU   9  -6.246  -2.504   0.207
   66   HD13  LEU   9          3HD1      LEU   9  -6.923  -3.638  -0.962
   67   HD21  LEU   9          1HD2      LEU   9  -4.219  -3.392  -3.393
   68   HD22  LEU   9          2HD2      LEU   9  -5.976  -3.444  -3.239
   69   HD23  LEU   9          3HD2      LEU   9  -4.995  -4.761  -2.595
   70    H    ALA  10           HN       ALA  10  -3.355   1.260  -0.617
   71    HA   ALA  10           HA       ALA  10  -1.379   1.878  -2.425
   72    HB1  ALA  10           HB1      ALA  10  -2.395   3.435  -0.064
   73    HB2  ALA  10           HB2      ALA  10  -2.889   3.568  -1.752
   74    HB3  ALA  10           HB3      ALA  10  -1.284   4.107  -1.258
   75    H    ARG  11           HN       ARG  11  -0.970   0.783   0.813
   76    HA   ARG  11           HA       ARG  11   1.732   1.763   1.023
   77    HB2  ARG  11           HB2      ARG  11   1.695   1.085   3.264
   78    HB3  ARG  11           HB1      ARG  11   0.062   1.651   2.956
   79    HG2  ARG  11           HG2      ARG  11  -0.294  -0.935   2.414
   80    HG3  ARG  11           HG1      ARG  11   1.051  -1.071   3.545
   81    HD2  ARG  11           HD2      ARG  11  -1.642   0.189   4.009
   82    HD3  ARG  11           HD1      ARG  11  -0.953  -1.219   4.815
   83    HE   ARG  11           HE       ARG  11   0.648   1.104   5.202
   84   HH11  ARG  11          1HH1      ARG  11  -2.256  -0.494   6.292
   85   HH12  ARG  11          2HH1      ARG  11  -2.224   0.243   7.859
   86   HH21  ARG  11          1HH2      ARG  11   0.694   2.074   7.264
   87   HH22  ARG  11          2HH2      ARG  11  -0.549   1.700   8.411
   88    H    ILE  12           HN       ILE  12   0.073  -1.384   0.677
   89    HA   ILE  12           HA       ILE  12   2.300  -3.016   0.935
   90    HB   ILE  12           HB       ILE  12   1.197  -4.642  -0.523
   91   HG12  ILE  12          2HG1      ILE  12  -1.227  -2.935  -0.759
   92   HG13  ILE  12          1HG1      ILE  12   0.097  -2.610  -1.868
   93   HG21  ILE  12          1HG2      ILE  12  -1.070  -4.551   0.864
   94   HG22  ILE  12          2HG2      ILE  12  -0.153  -3.346   1.770
   95   HG23  ILE  12          3HG2      ILE  12   0.473  -4.986   1.600
   96   HD11  ILE  12          1HD1      ILE  12  -0.398  -4.375  -3.109
   97   HD12  ILE  12          2HD1      ILE  12  -1.900  -4.477  -2.191
   98   HD13  ILE  12          3HD1      ILE  12  -0.501  -5.432  -1.701
   99    H    LEU  13           HN       LEU  13   1.246  -1.111  -1.806
  100    HA   LEU  13           HA       LEU  13   3.087  -2.191  -3.681
  101    HB2  LEU  13           HB2      LEU  13   2.793   0.347  -4.584
  102    HB3  LEU  13           HB1      LEU  13   1.680  -0.958  -4.936
  103    HG   LEU  13           HG       LEU  13   1.098   0.535  -2.464
  104   HD11  LEU  13          1HD1      LEU  13  -0.103   2.207  -4.192
  105   HD12  LEU  13          2HD1      LEU  13   1.390   1.880  -5.072
  106   HD13  LEU  13          3HD1      LEU  13   1.457   2.538  -3.437
  107   HD21  LEU  13          1HD2      LEU  13  -1.163   0.256  -3.229
  108   HD22  LEU  13          2HD2      LEU  13  -0.309  -1.268  -3.456
  109   HD23  LEU  13          3HD2      LEU  13  -0.610  -0.212  -4.835
  110    H    GLY  14           HN       GLY  14   3.238   0.120  -1.113
  111    HA2  GLY  14           HA2      GLY  14   5.945   0.950  -1.892
  112    HA3  GLY  14           HA1      GLY  14   4.980   1.639  -0.592
  113    H    ARG  15           HN       ARG  15   4.373  -1.342   0.094
  114    HA   ARG  15           HA       ARG  15   6.717  -1.675   1.838
  115    HB2  ARG  15           HB2      ARG  15   3.856  -2.553   2.019
  116    HB3  ARG  15           HB1      ARG  15   5.092  -3.403   2.935
  117    HG2  ARG  15           HG2      ARG  15   4.293  -1.837   4.439
  118    HG3  ARG  15           HG1      ARG  15   5.748  -1.070   3.801
  119    HD2  ARG  15           HD2      ARG  15   4.349   0.180   2.201
  120    HD3  ARG  15           HD1      ARG  15   2.912  -0.541   2.923
  121    HE   ARG  15           HE       ARG  15   4.385   1.677   3.912
  122   HH11  ARG  15          1HH1      ARG  15   2.548  -1.105   4.953
  123   HH12  ARG  15          2HH1      ARG  15   2.089  -0.390   6.462
  124   HH21  ARG  15          1HH2      ARG  15   3.775   2.617   5.890
  125   HH22  ARG  15          2HH2      ARG  15   2.783   1.723   6.993
  126    H    VAL  16           HN       VAL  16   6.645  -2.421  -0.991
  127    HA   VAL  16           HA       VAL  16   6.992  -5.343  -0.765
  128    HB   VAL  16           HB       VAL  16   5.248  -4.791  -2.403
  129   HG11  VAL  16          1HG1      VAL  16   6.234  -2.513  -2.925
  130   HG12  VAL  16          2HG1      VAL  16   5.570  -3.420  -4.282
  131   HG13  VAL  16          3HG1      VAL  16   7.315  -3.350  -4.036
  132   HG21  VAL  16          1HG2      VAL  16   7.655  -5.605  -3.994
  133   HG22  VAL  16          2HG2      VAL  16   5.992  -6.179  -4.121
  134   HG23  VAL  16          3HG2      VAL  16   6.985  -6.652  -2.742
  135    H    ILE  17           HN       ILE  17   8.082  -2.393  -2.303
  136    HA   ILE  17           HA       ILE  17  10.804  -3.078  -1.712
  137    HB   ILE  17           HB       ILE  17   9.987  -2.495  -4.573
  138   HG12  ILE  17          2HG1      ILE  17   9.512  -4.828  -3.885
  139   HG13  ILE  17          1HG1      ILE  17  10.777  -4.734  -5.105
  140   HG21  ILE  17          1HG2      ILE  17  12.037  -1.557  -4.574
  141   HG22  ILE  17          2HG2      ILE  17  12.576  -3.231  -4.707
  142   HG23  ILE  17          3HG2      ILE  17  12.556  -2.433  -3.134
  143   HD11  ILE  17          1HD1      ILE  17  10.886  -6.110  -2.719
  144   HD12  ILE  17          2HD1      ILE  17  11.857  -4.668  -2.422
  145   HD13  ILE  17          3HD1      ILE  17  12.245  -5.730  -3.776
  146    HA   PRO  18           HA       PRO  18   9.783   1.289  -1.303
  147    HB2  PRO  18           HB2      PRO  18  10.429   1.171   1.460
  148    HB3  PRO  18           HB1      PRO  18   8.812   1.222   0.757
  149    HG2  PRO  18           HG2      PRO  18   9.893  -0.932   2.142
  150    HG3  PRO  18           HG1      PRO  18   8.513  -1.027   1.035
  151    HD2  PRO  18           HD2      PRO  18  11.372  -1.533   0.494
  152    HD3  PRO  18           HD1      PRO  18   9.998  -2.507  -0.011
  153    H    LYS  19           HN       LYS  19  11.213   2.877  -0.006
  154    HA   LYS  19           HA       LYS  19  13.795   2.839  -1.121
  155    HB2  LYS  19           HB2      LYS  19  14.179   4.913   0.020
  156    HB3  LYS  19           HB1      LYS  19  12.519   4.907  -0.558
  157    HG2  LYS  19           HG2      LYS  19  11.798   5.334   1.486
  158    HG3  LYS  19           HG1      LYS  19  12.524   3.835   2.067
  159    HD2  LYS  19           HD2      LYS  19  14.657   5.615   1.784
  160    HD3  LYS  19           HD1      LYS  19  13.354   6.572   2.488
  161    HE2  LYS  19           HE2      LYS  19  13.574   5.571   4.467
  162    HE3  LYS  19           HE1      LYS  19  13.568   3.967   3.736
  163    HZ1  LYS  19           HZ1      LYS  19  15.933   4.293   3.197
  164    HZ2  LYS  19           HZ2      LYS  19  15.639   4.328   4.862
  165    HZ3  LYS  19           HZ3      LYS  19  15.910   5.770   4.022
  166    H    VAL  20           HN       VAL  20  12.534   1.819   1.960
  167    HA   VAL  20           HA       VAL  20  13.458   0.657   3.683
  168    HB   VAL  20           HB       VAL  20  15.882   0.276   1.925
  169   HG11  VAL  20          1HG1      VAL  20  16.491  -0.505   4.003
  170   HG12  VAL  20          2HG1      VAL  20  15.805  -1.958   3.276
  171   HG13  VAL  20          3HG1      VAL  20  14.852  -1.007   4.415
  172   HG21  VAL  20          1HG2      VAL  20  14.405  -0.677   0.509
  173   HG22  VAL  20          2HG2      VAL  20  13.169  -0.864   1.753
  174   HG23  VAL  20          3HG2      VAL  20  14.496  -2.022   1.647
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -16.130  -1.329   0.688
    2    H2   GLY   1           HT2      GLY   1 -15.333  -1.373   2.179
    3    H3   GLY   1           HT3      GLY   1 -15.684  -2.814   1.365
    4    HA2  GLY   1           HA1      GLY   1 -13.458  -1.036   1.059
    5    HA3  GLY   1           HA2      GLY   1 -13.619  -2.717   0.574
    6    H    LEU   2           HN       LEU   2 -12.479  -2.175  -1.371
    7    HA   LEU   2           HA       LEU   2 -12.392  -1.766  -3.606
    8    HB2  LEU   2           HB2      LEU   2 -15.378  -1.485  -3.258
    9    HB3  LEU   2           HB1      LEU   2 -14.575  -1.406  -4.813
   10    HG   LEU   2           HG       LEU   2 -15.591  -3.615  -4.339
   11   HD11  LEU   2          1HD1      LEU   2 -13.913  -4.797  -5.363
   12   HD12  LEU   2          2HD1      LEU   2 -12.643  -4.044  -4.398
   13   HD13  LEU   2          3HD1      LEU   2 -13.411  -3.141  -5.704
   14   HD21  LEU   2          1HD2      LEU   2 -15.079  -3.510  -1.867
   15   HD22  LEU   2          2HD2      LEU   2 -13.425  -3.962  -2.281
   16   HD23  LEU   2          3HD2      LEU   2 -14.758  -5.053  -2.658
   17    H    GLY   3           HN       GLY   3 -11.156   0.094  -3.270
   18    HA2  GLY   3           HA2      GLY   3 -10.865   2.294  -4.136
   19    HA3  GLY   3           HA1      GLY   3 -12.586   2.578  -3.908
   20    H    SER   4           HN       SER   4 -12.692   1.521  -1.238
   21    HA   SER   4           HA       SER   4 -11.727   3.851   0.191
   22    HB2  SER   4           HB2      SER   4 -12.963   1.621   1.702
   23    HB3  SER   4           HB1      SER   4 -13.300   3.350   1.768
   24    HG   SER   4           HG       SER   4 -14.491   3.137  -0.145
   25    H    VAL   5           HN       VAL   5 -11.133   0.433  -0.056
   26    HA   VAL   5           HA       VAL   5  -9.245   0.256   2.091
   27    HB   VAL   5           HB       VAL   5  -9.419  -1.583  -0.249
   28   HG11  VAL   5          1HG1      VAL   5  -7.729  -1.643   1.824
   29   HG12  VAL   5          2HG1      VAL   5  -8.305  -3.103   1.018
   30   HG13  VAL   5          3HG1      VAL   5  -9.062  -2.566   2.518
   31   HG21  VAL   5          1HG2      VAL   5 -11.666  -1.532   0.301
   32   HG22  VAL   5          2HG2      VAL   5 -11.346  -1.288   2.018
   33   HG23  VAL   5          3HG2      VAL   5 -11.077  -2.870   1.286
   34    H    PHE   6           HN       PHE   6  -9.176   0.943  -1.320
   35    HA   PHE   6           HA       PHE   6  -6.658   0.408  -2.152
   36    HB2  PHE   6           HB2      PHE   6  -7.234   1.708  -3.894
   37    HB3  PHE   6           HB1      PHE   6  -8.732   2.033  -3.027
   38    HD1  PHE   6           HD1      PHE   6  -5.953   3.485  -4.582
   39    HD2  PHE   6           HD2      PHE   6  -8.571   3.986  -1.266
   40    HE1  PHE   6           HE1      PHE   6  -5.365   5.873  -4.483
   41    HE2  PHE   6           HE2      PHE   6  -7.994   6.375  -1.163
   42    HZ   PHE   6           HZ       PHE   6  -6.387   7.321  -2.773
   43    H    GLY   7           HN       GLY   7  -7.582   2.671   0.286
   44    HA2  GLY   7           HA2      GLY   7  -5.242   4.274   0.331
   45    HA3  GLY   7           HA1      GLY   7  -6.363   4.053   1.670
   46    H    ARG   8           HN       ARG   8  -6.138   1.277   1.954
   47    HA   ARG   8           HA       ARG   8  -3.713   1.115   3.473
   48    HB2  ARG   8           HB2      ARG   8  -6.108  -0.597   3.047
   49    HB3  ARG   8           HB1      ARG   8  -4.637  -1.396   3.582
   50    HG2  ARG   8           HG2      ARG   8  -5.547  -0.924   5.603
   51    HG3  ARG   8           HG1      ARG   8  -4.649   0.574   5.350
   52    HD2  ARG   8           HD2      ARG   8  -7.217   0.792   4.112
   53    HD3  ARG   8           HD1      ARG   8  -7.420   0.250   5.778
   54    HE   ARG   8           HE       ARG   8  -6.549   2.834   4.892
   55   HH11  ARG   8          1HH1      ARG   8  -6.424   0.535   7.517
   56   HH12  ARG   8          2HH1      ARG   8  -6.079   1.736   8.715
   57   HH21  ARG   8          1HH2      ARG   8  -6.099   4.412   6.470
   58   HH22  ARG   8          2HH2      ARG   8  -5.894   3.934   8.122
   59    H    LEU   9           HN       LEU   9  -5.029  -0.672   0.668
   60    HA   LEU   9           HA       LEU   9  -2.850  -2.309   0.170
   61    HB2  LEU   9           HB2      LEU   9  -4.816  -1.026  -1.715
   62    HB3  LEU   9           HB1      LEU   9  -3.605  -2.173  -2.259
   63    HG   LEU   9           HG       LEU   9  -4.704  -3.629  -0.295
   64   HD11  LEU   9          1HD1      LEU   9  -6.746  -1.603  -1.094
   65   HD12  LEU   9          2HD1      LEU   9  -6.382  -2.268   0.499
   66   HD13  LEU   9          3HD1      LEU   9  -7.246  -3.245  -0.688
   67   HD21  LEU   9          1HD2      LEU   9  -4.970  -3.441  -3.169
   68   HD22  LEU   9          2HD2      LEU   9  -6.429  -4.096  -2.426
   69   HD23  LEU   9          3HD2      LEU   9  -4.870  -4.867  -2.137
   70    H    ALA  10           HN       ALA  10  -3.381   1.036  -0.743
   71    HA   ALA  10           HA       ALA  10  -1.368   1.512  -2.546
   72    HB1  ALA  10           HB1      ALA  10  -2.688   3.188  -0.472
   73    HB2  ALA  10           HB2      ALA  10  -2.728   3.324  -2.230
   74    HB3  ALA  10           HB3      ALA  10  -1.294   3.835  -1.339
   75    H    ARG  11           HN       ARG  11  -1.019   0.719   0.786
   76    HA   ARG  11           HA       ARG  11   1.657   1.770   0.966
   77    HB2  ARG  11           HB2      ARG  11   1.565   1.350   3.247
   78    HB3  ARG  11           HB1      ARG  11  -0.107   1.717   2.861
   79    HG2  ARG  11           HG2      ARG  11  -0.202  -0.929   2.573
   80    HG3  ARG  11           HG1      ARG  11   1.133  -0.828   3.719
   81    HD2  ARG  11           HD2      ARG  11  -1.725  -0.017   4.048
   82    HD3  ARG  11           HD1      ARG  11  -0.714  -0.999   5.104
   83    HE   ARG  11           HE       ARG  11   0.405   1.521   5.109
   84   HH11  ARG  11          1HH1      ARG  11  -2.666   0.104   5.965
   85   HH12  ARG  11          2HH1      ARG  11  -3.007   1.275   7.195
   86   HH21  ARG  11          1HH2      ARG  11  -0.045   3.069   6.725
   87   HH22  ARG  11          2HH2      ARG  11  -1.521   2.958   7.625
   88    H    ILE  12           HN       ILE  12   0.074  -1.428   0.817
   89    HA   ILE  12           HA       ILE  12   2.349  -2.975   1.241
   90    HB   ILE  12           HB       ILE  12   1.287  -4.750  -0.069
   91   HG12  ILE  12          2HG1      ILE  12  -1.187  -3.143  -0.434
   92   HG13  ILE  12          1HG1      ILE  12   0.124  -2.861  -1.571
   93   HG21  ILE  12          1HG2      ILE  12  -0.951  -4.650   1.323
   94   HG22  ILE  12          2HG2      ILE  12  -0.136  -3.285   2.088
   95   HG23  ILE  12          3HG2      ILE  12   0.612  -4.883   2.107
   96   HD11  ILE  12          1HD1      ILE  12  -0.604  -4.595  -2.728
   97   HD12  ILE  12          2HD1      ILE  12  -1.770  -5.004  -1.469
   98   HD13  ILE  12          3HD1      ILE  12  -0.125  -5.635  -1.387
   99    H    LEU  13           HN       LEU  13   1.259  -1.318  -1.631
  100    HA   LEU  13           HA       LEU  13   3.129  -2.517  -3.413
  101    HB2  LEU  13           HB2      LEU  13   2.748  -0.087  -4.548
  102    HB3  LEU  13           HB1      LEU  13   1.682  -1.458  -4.775
  103    HG   LEU  13           HG       LEU  13   1.041   0.243  -2.456
  104   HD11  LEU  13          1HD1      LEU  13  -0.215   1.699  -4.331
  105   HD12  LEU  13          2HD1      LEU  13   1.285   1.337  -5.185
  106   HD13  LEU  13          3HD1      LEU  13   1.335   2.153  -3.622
  107   HD21  LEU  13          1HD2      LEU  13  -1.192  -0.227  -3.126
  108   HD22  LEU  13          2HD2      LEU  13  -0.279  -1.719  -3.338
  109   HD23  LEU  13          3HD2      LEU  13  -0.676  -0.721  -4.736
  110    H    GLY  14           HN       GLY  14   3.207  -0.005  -1.045
  111    HA2  GLY  14           HA2      GLY  14   5.883   0.853  -1.898
  112    HA3  GLY  14           HA1      GLY  14   4.899   1.607  -0.649
  113    H    ARG  15           HN       ARG  15   4.356  -1.304   0.275
  114    HA   ARG  15           HA       ARG  15   6.721  -1.466   2.015
  115    HB2  ARG  15           HB2      ARG  15   3.867  -2.337   2.296
  116    HB3  ARG  15           HB1      ARG  15   5.115  -3.105   3.268
  117    HG2  ARG  15           HG2      ARG  15   4.309  -1.408   4.633
  118    HG3  ARG  15           HG1      ARG  15   5.781  -0.723   3.941
  119    HD2  ARG  15           HD2      ARG  15   4.408   0.409   2.230
  120    HD3  ARG  15           HD1      ARG  15   2.957  -0.220   3.008
  121    HE   ARG  15           HE       ARG  15   4.158   1.072   5.028
  122   HH11  ARG  15          1HH1      ARG  15   3.455   2.047   1.749
  123   HH12  ARG  15          2HH1      ARG  15   3.279   3.721   2.155
  124   HH21  ARG  15          1HH2      ARG  15   3.926   3.269   5.560
  125   HH22  ARG  15          2HH2      ARG  15   3.546   4.415   4.318
  126    H    VAL  16           HN       VAL  16   6.617  -2.458  -0.746
  127    HA   VAL  16           HA       VAL  16   7.005  -5.342  -0.261
  128    HB   VAL  16           HB       VAL  16   5.214  -4.943  -1.900
  129   HG11  VAL  16          1HG1      VAL  16   5.525  -3.803  -3.942
  130   HG12  VAL  16          2HG1      VAL  16   7.267  -3.678  -3.693
  131   HG13  VAL  16          3HG1      VAL  16   6.163  -2.743  -2.686
  132   HG21  VAL  16          1HG2      VAL  16   7.675  -5.982  -3.291
  133   HG22  VAL  16          2HG2      VAL  16   5.995  -6.420  -3.604
  134   HG23  VAL  16          3HG2      VAL  16   6.762  -6.892  -2.088
  135    H    ILE  17           HN       ILE  17   8.022  -2.541  -2.093
  136    HA   ILE  17           HA       ILE  17  10.764  -3.136  -1.503
  137    HB   ILE  17           HB       ILE  17   9.866  -2.857  -4.386
  138   HG12  ILE  17          2HG1      ILE  17   9.475  -5.118  -3.456
  139   HG13  ILE  17          1HG1      ILE  17  10.717  -5.119  -4.704
  140   HG21  ILE  17          1HG2      ILE  17  11.886  -1.871  -4.544
  141   HG22  ILE  17          2HG2      ILE  17  12.470  -3.535  -4.519
  142   HG23  ILE  17          3HG2      ILE  17  12.469  -2.578  -3.037
  143   HD11  ILE  17          1HD1      ILE  17  10.906  -6.229  -2.184
  144   HD12  ILE  17          2HD1      ILE  17  11.842  -4.738  -2.068
  145   HD13  ILE  17          3HD1      ILE  17  12.234  -5.932  -3.306
  146    HA   PRO  18           HA       PRO  18   9.699   1.237  -1.488
  147    HB2  PRO  18           HB2      PRO  18  10.430   1.396   1.251
  148    HB3  PRO  18           HB1      PRO  18   8.791   1.359   0.600
  149    HG2  PRO  18           HG2      PRO  18   9.952  -0.637   2.151
  150    HG3  PRO  18           HG1      PRO  18   8.535  -0.855   1.111
  151    HD2  PRO  18           HD2      PRO  18  11.379  -1.385   0.520
  152    HD3  PRO  18           HD1      PRO  18  10.000  -2.413   0.156
  153    H    LYS  19           HN       LYS  19  11.150   2.955  -0.404
  154    HA   LYS  19           HA       LYS  19  13.710   2.800  -1.578
  155    HB2  LYS  19           HB2      LYS  19  14.107   4.997  -0.629
  156    HB3  LYS  19           HB1      LYS  19  12.485   4.919  -1.301
  157    HG2  LYS  19           HG2      LYS  19  11.579   5.457   0.644
  158    HG3  LYS  19           HG1      LYS  19  12.448   4.164   1.469
  159    HD2  LYS  19           HD2      LYS  19  14.207   6.363   0.795
  160    HD3  LYS  19           HD1      LYS  19  12.840   6.905   1.769
  161    HE2  LYS  19           HE2      LYS  19  13.971   6.189   3.549
  162    HE3  LYS  19           HE1      LYS  19  13.645   4.550   2.989
  163    HZ1  LYS  19           HZ1      LYS  19  15.724   4.562   1.790
  164    HZ2  LYS  19           HZ2      LYS  19  16.006   4.933   3.416
  165    HZ3  LYS  19           HZ3      LYS  19  16.030   6.161   2.252
  166    H    VAL  20           HN       VAL  20  12.513   2.141   1.625
  167    HA   VAL  20           HA       VAL  20  13.490   1.279   3.492
  168    HB   VAL  20           HB       VAL  20  15.805   0.525   1.708
  169   HG11  VAL  20          1HG1      VAL  20  16.518  -0.008   3.814
  170   HG12  VAL  20          2HG1      VAL  20  15.641  -1.485   3.412
  171   HG13  VAL  20          3HG1      VAL  20  14.882  -0.257   4.425
  172   HG21  VAL  20          1HG2      VAL  20  14.225  -0.564   0.520
  173   HG22  VAL  20          2HG2      VAL  20  13.045  -0.499   1.829
  174   HG23  VAL  20          3HG2      VAL  20  14.316  -1.721   1.848
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -15.056  -1.738   2.264
    2    H2   GLY   1           HT2      GLY   1 -15.593  -3.009   1.286
    3    H3   GLY   1           HT3      GLY   1 -15.946  -1.411   0.862
    4    HA2  GLY   1           HA1      GLY   1 -13.263  -1.334   1.021
    5    HA3  GLY   1           HA2      GLY   1 -13.549  -2.958   0.414
    6    H    LEU   2           HN       LEU   2 -12.516  -2.298  -1.557
    7    HA   LEU   2           HA       LEU   2 -12.536  -1.651  -3.738
    8    HB2  LEU   2           HB2      LEU   2 -15.498  -1.384  -3.214
    9    HB3  LEU   2           HB1      LEU   2 -14.762  -1.257  -4.799
   10    HG   LEU   2           HG       LEU   2 -15.736  -3.457  -4.500
   11   HD11  LEU   2          1HD1      LEU   2 -13.925  -4.751  -5.241
   12   HD12  LEU   2          2HD1      LEU   2 -12.759  -3.801  -4.319
   13   HD13  LEU   2          3HD1      LEU   2 -13.543  -3.102  -5.737
   14   HD21  LEU   2          1HD2      LEU   2 -15.350  -3.349  -1.947
   15   HD22  LEU   2          2HD2      LEU   2 -13.775  -4.051  -2.318
   16   HD23  LEU   2          3HD2      LEU   2 -15.250  -4.912  -2.760
   17    H    GLY   3           HN       GLY   3 -11.294   0.196  -3.265
   18    HA2  GLY   3           HA2      GLY   3 -11.067   2.463  -3.956
   19    HA3  GLY   3           HA1      GLY   3 -12.780   2.700  -3.639
   20    H    SER   4           HN       SER   4 -12.715   1.405  -1.041
   21    HA   SER   4           HA       SER   4 -11.760   3.660   0.509
   22    HB2  SER   4           HB2      SER   4 -12.885   1.190   1.775
   23    HB3  SER   4           HB1      SER   4 -13.095   2.878   2.238
   24    HG   SER   4           HG       SER   4 -14.318   3.037   0.182
   25    H    VAL   5           HN       VAL   5 -11.097   0.274   0.036
   26    HA   VAL   5           HA       VAL   5  -9.045   0.036   2.014
   27    HB   VAL   5           HB       VAL   5  -9.330  -1.670  -0.413
   28   HG11  VAL   5          1HG1      VAL   5  -7.450  -1.897   1.331
   29   HG12  VAL   5          2HG1      VAL   5  -8.304  -3.357   0.830
   30   HG13  VAL   5          3HG1      VAL   5  -8.697  -2.589   2.368
   31   HG21  VAL   5          1HG2      VAL   5 -11.460  -2.084   0.138
   32   HG22  VAL   5          2HG2      VAL   5 -11.295  -1.282   1.699
   33   HG23  VAL   5          3HG2      VAL   5 -10.810  -2.968   1.518
   34    H    PHE   6           HN       PHE   6  -9.236   0.823  -1.387
   35    HA   PHE   6           HA       PHE   6  -6.739   0.441  -2.367
   36    HB2  PHE   6           HB2      PHE   6  -7.684   1.567  -4.057
   37    HB3  PHE   6           HB1      PHE   6  -8.956   2.135  -2.982
   38    HD1  PHE   6           HD1      PHE   6  -6.057   3.030  -4.889
   39    HD2  PHE   6           HD2      PHE   6  -8.579   4.269  -1.692
   40    HE1  PHE   6           HE1      PHE   6  -5.206   5.328  -5.113
   41    HE2  PHE   6           HE2      PHE   6  -7.733   6.570  -1.912
   42    HZ   PHE   6           HZ       PHE   6  -6.044   7.101  -3.623
   43    H    GLY   7           HN       GLY   7  -7.666   2.638   0.131
   44    HA2  GLY   7           HA2      GLY   7  -5.343   4.308   0.043
   45    HA3  GLY   7           HA1      GLY   7  -6.479   4.175   1.380
   46    H    ARG   8           HN       ARG   8  -6.269   1.443   1.885
   47    HA   ARG   8           HA       ARG   8  -3.902   1.382   3.470
   48    HB2  ARG   8           HB2      ARG   8  -6.213  -0.433   2.993
   49    HB3  ARG   8           HB1      ARG   8  -4.747  -1.145   3.650
   50    HG2  ARG   8           HG2      ARG   8  -6.134  -0.583   5.481
   51    HG3  ARG   8           HG1      ARG   8  -4.819   0.592   5.452
   52    HD2  ARG   8           HD2      ARG   8  -6.900   1.626   3.844
   53    HD3  ARG   8           HD1      ARG   8  -7.637   1.040   5.334
   54    HE   ARG   8           HE       ARG   8  -5.487   2.469   6.185
   55   HH11  ARG   8          1HH1      ARG   8  -8.203   3.172   4.110
   56   HH12  ARG   8          2HH1      ARG   8  -8.243   4.853   4.523
   57   HH21  ARG   8          1HH2      ARG   8  -5.535   4.683   6.722
   58   HH22  ARG   8          2HH2      ARG   8  -6.729   5.711   6.003
   59    H    LEU   9           HN       LEU   9  -5.017  -0.547   0.671
   60    HA   LEU   9           HA       LEU   9  -2.746  -2.123   0.381
   61    HB2  LEU   9           HB2      LEU   9  -4.874  -1.181  -1.474
   62    HB3  LEU   9           HB1      LEU   9  -3.457  -1.950  -2.165
   63    HG   LEU   9           HG       LEU   9  -4.024  -3.788  -0.321
   64   HD11  LEU   9          1HD1      LEU   9  -6.464  -2.152  -0.597
   65   HD12  LEU   9          2HD1      LEU   9  -5.909  -3.153   0.745
   66   HD13  LEU   9          3HD1      LEU   9  -6.680  -3.902  -0.654
   67   HD21  LEU   9          1HD2      LEU   9  -3.829  -4.477  -2.531
   68   HD22  LEU   9          2HD2      LEU   9  -5.119  -3.408  -3.082
   69   HD23  LEU   9          3HD2      LEU   9  -5.509  -4.849  -2.143
   70    H    ALA  10           HN       ALA  10  -3.323   1.170  -0.634
   71    HA   ALA  10           HA       ALA  10  -1.359   1.645  -2.482
   72    HB1  ALA  10           HB1      ALA  10  -2.327   3.424  -0.258
   73    HB2  ALA  10           HB2      ALA  10  -2.914   3.357  -1.920
   74    HB3  ALA  10           HB3      ALA  10  -1.296   3.972  -1.580
   75    H    ARG  11           HN       ARG  11  -0.908   0.860   0.837
   76    HA   ARG  11           HA       ARG  11   1.787   1.878   0.938
   77    HB2  ARG  11           HB2      ARG  11   1.741   1.461   3.225
   78    HB3  ARG  11           HB1      ARG  11   0.066   1.855   2.874
   79    HG2  ARG  11           HG2      ARG  11  -0.344  -0.638   2.705
   80    HG3  ARG  11           HG1      ARG  11   1.263  -0.850   3.392
   81    HD2  ARG  11           HD2      ARG  11  -1.090  -0.579   4.798
   82    HD3  ARG  11           HD1      ARG  11   0.534  -0.414   5.453
   83    HE   ARG  11           HE       ARG  11   0.220   2.050   4.826
   84   HH11  ARG  11          1HH1      ARG  11  -2.370  -0.046   5.899
   85   HH12  ARG  11          2HH1      ARG  11  -3.313   1.255   6.539
   86   HH21  ARG  11          1HH2      ARG  11  -1.027   3.747   5.671
   87   HH22  ARG  11          2HH2      ARG  11  -2.556   3.402   6.410
   88    H    ILE  12           HN       ILE  12   0.139  -1.289   0.950
   89    HA   ILE  12           HA       ILE  12   2.395  -2.878   1.266
   90    HB   ILE  12           HB       ILE  12   1.224  -4.673   0.144
   91   HG12  ILE  12          2HG1      ILE  12  -1.249  -3.130  -0.304
   92   HG13  ILE  12          1HG1      ILE  12   0.061  -2.769  -1.419
   93   HG21  ILE  12          1HG2      ILE  12  -1.041  -4.278   1.538
   94   HG22  ILE  12          2HG2      ILE  12  -0.015  -3.036   2.257
   95   HG23  ILE  12          3HG2      ILE  12   0.496  -4.724   2.278
   96   HD11  ILE  12          1HD1      ILE  12  -0.576  -4.525  -2.599
   97   HD12  ILE  12          2HD1      ILE  12  -1.706  -5.027  -1.341
   98   HD13  ILE  12          3HD1      ILE  12  -0.022  -5.547  -1.273
   99    H    LEU  13           HN       LEU  13   1.231  -1.208  -1.561
  100    HA   LEU  13           HA       LEU  13   2.927  -2.549  -3.422
  101    HB2  LEU  13           HB2      LEU  13   2.607  -0.107  -4.578
  102    HB3  LEU  13           HB1      LEU  13   1.495  -1.446  -4.757
  103    HG   LEU  13           HG       LEU  13   0.984   0.307  -2.442
  104   HD11  LEU  13          1HD1      LEU  13  -0.302   1.753  -4.308
  105   HD12  LEU  13          2HD1      LEU  13   1.164   1.341  -5.196
  106   HD13  LEU  13          3HD1      LEU  13   1.277   2.186  -3.653
  107   HD21  LEU  13          1HD2      LEU  13  -1.302  -0.075  -3.086
  108   HD22  LEU  13          2HD2      LEU  13  -0.439  -1.609  -3.158
  109   HD23  LEU  13          3HD2      LEU  13  -0.800  -0.730  -4.643
  110    H    GLY  14           HN       GLY  14   3.246   0.043  -1.152
  111    HA2  GLY  14           HA2      GLY  14   5.933   0.690  -2.161
  112    HA3  GLY  14           HA1      GLY  14   5.045   1.583  -0.931
  113    H    ARG  15           HN       ARG  15   4.401  -1.305   0.121
  114    HA   ARG  15           HA       ARG  15   6.769  -1.441   1.856
  115    HB2  ARG  15           HB2      ARG  15   3.900  -2.213   2.173
  116    HB3  ARG  15           HB1      ARG  15   5.115  -3.038   3.140
  117    HG2  ARG  15           HG2      ARG  15   4.266  -1.240   4.436
  118    HG3  ARG  15           HG1      ARG  15   5.894  -0.793   3.919
  119    HD2  ARG  15           HD2      ARG  15   4.652   0.338   1.928
  120    HD3  ARG  15           HD1      ARG  15   3.251   0.260   2.991
  121    HE   ARG  15           HE       ARG  15   5.465   2.049   3.188
  122   HH11  ARG  15          1HH1      ARG  15   3.088   0.333   5.082
  123   HH12  ARG  15          2HH1      ARG  15   3.127   1.470   6.388
  124   HH21  ARG  15          1HH2      ARG  15   5.516   3.544   4.900
  125   HH22  ARG  15          2HH2      ARG  15   4.505   3.294   6.285
  126    H    VAL  16           HN       VAL  16   6.669  -2.508  -0.857
  127    HA   VAL  16           HA       VAL  16   7.018  -5.385  -0.307
  128    HB   VAL  16           HB       VAL  16   5.271  -5.032  -1.990
  129   HG11  VAL  16          1HG1      VAL  16   5.583  -3.869  -4.014
  130   HG12  VAL  16          2HG1      VAL  16   7.323  -3.736  -3.761
  131   HG13  VAL  16          3HG1      VAL  16   6.213  -2.809  -2.753
  132   HG21  VAL  16          1HG2      VAL  16   7.648  -5.970  -3.544
  133   HG22  VAL  16          2HG2      VAL  16   6.006  -6.615  -3.511
  134   HG23  VAL  16          3HG2      VAL  16   7.085  -6.877  -2.140
  135    H    ILE  17           HN       ILE  17   8.099  -2.608  -2.140
  136    HA   ILE  17           HA       ILE  17  10.820  -3.224  -1.483
  137    HB   ILE  17           HB       ILE  17  10.021  -2.899  -4.390
  138   HG12  ILE  17          2HG1      ILE  17   9.522  -5.162  -3.496
  139   HG13  ILE  17          1HG1      ILE  17  10.787  -5.182  -4.720
  140   HG21  ILE  17          1HG2      ILE  17  12.080  -1.980  -4.447
  141   HG22  ILE  17          2HG2      ILE  17  12.605  -3.663  -4.431
  142   HG23  ILE  17          3HG2      ILE  17  12.575  -2.735  -2.932
  143   HD11  ILE  17          1HD1      ILE  17  10.890  -6.348  -2.225
  144   HD12  ILE  17          2HD1      ILE  17  11.868  -4.890  -2.053
  145   HD13  ILE  17          3HD1      ILE  17  12.251  -6.066  -3.311
  146    HA   PRO  18           HA       PRO  18   9.782   1.161  -1.484
  147    HB2  PRO  18           HB2      PRO  18  10.445   1.302   1.276
  148    HB3  PRO  18           HB1      PRO  18   8.824   1.290   0.581
  149    HG2  PRO  18           HG2      PRO  18   9.906  -0.727   2.154
  150    HG3  PRO  18           HG1      PRO  18   8.526  -0.925   1.060
  151    HD2  PRO  18           HD2      PRO  18  11.387  -1.473   0.565
  152    HD3  PRO  18           HD1      PRO  18  10.016  -2.495   0.158
  153    H    LYS  19           HN       LYS  19  11.213   2.871  -0.352
  154    HA   LYS  19           HA       LYS  19  13.818   2.677  -1.441
  155    HB2  LYS  19           HB2      LYS  19  14.201   4.893  -0.516
  156    HB3  LYS  19           HB1      LYS  19  12.619   4.820  -1.279
  157    HG2  LYS  19           HG2      LYS  19  11.606   5.406   0.603
  158    HG3  LYS  19           HG1      LYS  19  12.431   4.139   1.512
  159    HD2  LYS  19           HD2      LYS  19  14.167   6.383   0.824
  160    HD3  LYS  19           HD1      LYS  19  12.795   6.847   1.830
  161    HE2  LYS  19           HE2      LYS  19  14.072   6.185   3.546
  162    HE3  LYS  19           HE1      LYS  19  13.640   4.551   3.044
  163    HZ1  LYS  19           HZ1      LYS  19  15.649   4.401   1.773
  164    HZ2  LYS  19           HZ2      LYS  19  16.048   4.877   3.346
  165    HZ3  LYS  19           HZ3      LYS  19  16.041   6.016   2.095
  166    H    VAL  20           HN       VAL  20  12.475   2.139   1.726
  167    HA   VAL  20           HA       VAL  20  13.357   1.297   3.647
  168    HB   VAL  20           HB       VAL  20  15.748   0.513   1.982
  169   HG11  VAL  20          1HG1      VAL  20  16.305   0.127   4.202
  170   HG12  VAL  20          2HG1      VAL  20  15.661  -1.430   3.680
  171   HG13  VAL  20          3HG1      VAL  20  14.660  -0.338   4.639
  172   HG21  VAL  20          1HG2      VAL  20  14.218  -0.606   0.757
  173   HG22  VAL  20          2HG2      VAL  20  12.987  -0.517   2.016
  174   HG23  VAL  20          3HG2      VAL  20  14.259  -1.735   2.112
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -15.522  -1.522   1.305
    2    H2   GLY   1           HT2      GLY   1 -14.796  -2.873   2.018
    3    H3   GLY   1           HT3      GLY   1 -15.613  -3.033   0.546
    4    HA2  GLY   1           HA1      GLY   1 -13.145  -1.439   0.974
    5    HA3  GLY   1           HA2      GLY   1 -13.198  -3.036   0.245
    6    H    LEU   2           HN       LEU   2 -12.255  -2.205  -1.665
    7    HA   LEU   2           HA       LEU   2 -12.306  -1.457  -3.811
    8    HB2  LEU   2           HB2      LEU   2 -15.275  -1.443  -3.272
    9    HB3  LEU   2           HB1      LEU   2 -14.583  -1.059  -4.835
   10    HG   LEU   2           HG       LEU   2 -15.393  -3.379  -4.713
   11   HD11  LEU   2          1HD1      LEU   2 -13.531  -4.379  -5.765
   12   HD12  LEU   2          2HD1      LEU   2 -12.392  -3.358  -4.888
   13   HD13  LEU   2          3HD1      LEU   2 -13.430  -2.657  -6.129
   14   HD21  LEU   2          1HD2      LEU   2 -14.697  -3.515  -2.213
   15   HD22  LEU   2          2HD2      LEU   2 -13.143  -4.037  -2.861
   16   HD23  LEU   2          3HD2      LEU   2 -14.603  -4.956  -3.224
   17    H    GLY   3           HN       GLY   3 -11.156   0.404  -3.179
   18    HA2  GLY   3           HA2      GLY   3 -11.023   2.716  -3.759
   19    HA3  GLY   3           HA1      GLY   3 -12.745   2.863  -3.434
   20    H    SER   4           HN       SER   4 -12.693   1.462  -0.930
   21    HA   SER   4           HA       SER   4 -11.783   3.631   0.763
   22    HB2  SER   4           HB2      SER   4 -12.917   1.075   1.848
   23    HB3  SER   4           HB1      SER   4 -13.128   2.726   2.432
   24    HG   SER   4           HG       SER   4 -14.335   1.492   0.190
   25    H    VAL   5           HN       VAL   5 -10.974   0.355  -0.029
   26    HA   VAL   5           HA       VAL   5  -8.966   0.022   2.011
   27    HB   VAL   5           HB       VAL   5  -9.257  -1.571  -0.493
   28   HG11  VAL   5          1HG1      VAL   5  -7.878  -1.902   2.094
   29   HG12  VAL   5          2HG1      VAL   5  -7.429  -2.472   0.487
   30   HG13  VAL   5          3HG1      VAL   5  -8.634  -3.350   1.428
   31   HG21  VAL   5          1HG2      VAL   5 -11.229  -1.260   1.556
   32   HG22  VAL   5          2HG2      VAL   5 -10.618  -2.914   1.580
   33   HG23  VAL   5          3HG2      VAL   5 -11.292  -2.246   0.095
   34    H    PHE   6           HN       PHE   6  -9.165   1.084  -1.297
   35    HA   PHE   6           HA       PHE   6  -6.707   0.723  -2.363
   36    HB2  PHE   6           HB2      PHE   6  -7.347   2.268  -3.886
   37    HB3  PHE   6           HB1      PHE   6  -8.860   2.284  -2.987
   38    HD1  PHE   6           HD1      PHE   6  -6.569   4.332  -4.471
   39    HD2  PHE   6           HD2      PHE   6  -8.626   3.891  -0.773
   40    HE1  PHE   6           HE1      PHE   6  -6.268   6.732  -4.022
   41    HE2  PHE   6           HE2      PHE   6  -8.330   6.290  -0.316
   42    HZ   PHE   6           HZ       PHE   6  -7.149   7.714  -1.942
   43    H    GLY   7           HN       GLY   7  -7.487   2.660   0.380
   44    HA2  GLY   7           HA2      GLY   7  -5.143   4.284   0.424
   45    HA3  GLY   7           HA1      GLY   7  -6.209   3.969   1.785
   46    H    ARG   8           HN       ARG   8  -5.993   1.175   1.865
   47    HA   ARG   8           HA       ARG   8  -3.518   0.902   3.277
   48    HB2  ARG   8           HB2      ARG   8  -5.860  -0.880   2.717
   49    HB3  ARG   8           HB1      ARG   8  -4.365  -1.588   3.313
   50    HG2  ARG   8           HG2      ARG   8  -5.379  -1.217   5.298
   51    HG3  ARG   8           HG1      ARG   8  -4.612   0.360   5.103
   52    HD2  ARG   8           HD2      ARG   8  -6.850   0.921   3.841
   53    HD3  ARG   8           HD1      ARG   8  -7.474  -0.419   4.803
   54    HE   ARG   8           HE       ARG   8  -6.027   1.533   6.337
   55   HH11  ARG   8          1HH1      ARG   8  -9.136   0.677   5.000
   56   HH12  ARG   8          2HH1      ARG   8 -10.028   1.612   6.152
   57   HH21  ARG   8          1HH2      ARG   8  -7.200   2.751   7.861
   58   HH22  ARG   8          2HH2      ARG   8  -8.929   2.789   7.778
   59    H    LEU   9           HN       LEU   9  -4.895  -0.492   0.306
   60    HA   LEU   9           HA       LEU   9  -2.826  -2.180  -0.413
   61    HB2  LEU   9           HB2      LEU   9  -4.757  -0.561  -2.043
   62    HB3  LEU   9           HB1      LEU   9  -3.551  -1.569  -2.819
   63    HG   LEU   9           HG       LEU   9  -5.049  -3.018  -0.781
   64   HD11  LEU   9          1HD1      LEU   9  -6.604  -2.100  -3.186
   65   HD12  LEU   9          2HD1      LEU   9  -6.771  -1.373  -1.588
   66   HD13  LEU   9          3HD1      LEU   9  -7.173  -3.073  -1.830
   67   HD21  LEU   9          1HD2      LEU   9  -4.106  -3.368  -3.569
   68   HD22  LEU   9          2HD2      LEU   9  -5.462  -4.362  -3.036
   69   HD23  LEU   9          3HD2      LEU   9  -3.927  -4.426  -2.169
   70    H    ALA  10           HN       ALA  10  -3.261   1.153  -1.593
   71    HA   ALA  10           HA       ALA  10  -0.971   1.530  -3.015
   72    HB1  ALA  10           HB1      ALA  10  -2.301   3.517  -1.184
   73    HB2  ALA  10           HB2      ALA  10  -2.692   3.214  -2.877
   74    HB3  ALA  10           HB3      ALA  10  -1.135   3.919  -2.444
   75    H    ARG  11           HN       ARG  11  -1.213   1.172   0.410
   76    HA   ARG  11           HA       ARG  11   1.437   2.207   0.909
   77    HB2  ARG  11           HB2      ARG  11  -0.107   2.750   2.604
   78    HB3  ARG  11           HB1      ARG  11  -0.774   1.127   2.639
   79    HG2  ARG  11           HG2      ARG  11   2.000   1.009   3.315
   80    HG3  ARG  11           HG1      ARG  11   1.209   2.240   4.300
   81    HD2  ARG  11           HD2      ARG  11   0.604   0.528   5.613
   82    HD3  ARG  11           HD1      ARG  11  -0.609   0.204   4.375
   83    HE   ARG  11           HE       ARG  11   1.496  -1.174   3.461
   84   HH11  ARG  11          1HH1      ARG  11   0.007  -1.047   6.615
   85   HH12  ARG  11          2HH1      ARG  11   0.448  -2.671   7.024
   86   HH21  ARG  11          1HH2      ARG  11   2.074  -3.308   3.998
   87   HH22  ARG  11          2HH2      ARG  11   1.622  -3.954   5.540
   88    H    ILE  12           HN       ILE  12  -0.269  -0.938   1.139
   89    HA   ILE  12           HA       ILE  12   1.959  -2.399   1.999
   90    HB   ILE  12           HB       ILE  12   0.886  -4.405   1.287
   91   HG12  ILE  12          2HG1      ILE  12  -1.572  -3.539   0.177
   92   HG13  ILE  12          1HG1      ILE  12  -0.294  -2.739  -0.724
   93   HG21  ILE  12          1HG2      ILE  12  -1.513  -2.911   2.121
   94   HG22  ILE  12          2HG2      ILE  12  -0.086  -2.718   3.136
   95   HG23  ILE  12          3HG2      ILE  12  -0.747  -4.326   2.842
   96   HD11  ILE  12          1HD1      ILE  12   0.125  -4.592  -1.845
   97   HD12  ILE  12          2HD1      ILE  12  -1.240  -5.352  -1.027
   98   HD13  ILE  12          3HD1      ILE  12   0.382  -5.487  -0.347
   99    H    LEU  13           HN       LEU  13   0.963  -1.487  -1.252
  100    HA   LEU  13           HA       LEU  13   2.819  -3.128  -2.615
  101    HB2  LEU  13           HB2      LEU  13   2.681  -1.086  -4.332
  102    HB3  LEU  13           HB1      LEU  13   1.432  -2.305  -4.204
  103    HG   LEU  13           HG       LEU  13   0.922  -0.122  -2.377
  104   HD11  LEU  13          1HD1      LEU  13   0.608   0.802  -5.166
  105   HD12  LEU  13          2HD1      LEU  13   2.237   0.859  -4.492
  106   HD13  LEU  13          3HD1      LEU  13   0.921   1.719  -3.693
  107   HD21  LEU  13          1HD2      LEU  13  -1.245  -0.163  -3.518
  108   HD22  LEU  13          2HD2      LEU  13  -0.717  -1.794  -3.116
  109   HD23  LEU  13          3HD2      LEU  13  -0.573  -1.203  -4.771
  110    H    GLY  14           HN       GLY  14   2.997  -0.006  -1.053
  111    HA2  GLY  14           HA2      GLY  14   5.639   0.617  -1.990
  112    HA3  GLY  14           HA1      GLY  14   4.806   1.377  -0.636
  113    H    ARG  15           HN       ARG  15   4.402  -1.609   0.226
  114    HA   ARG  15           HA       ARG  15   6.874  -1.747   1.804
  115    HB2  ARG  15           HB2      ARG  15   4.086  -2.765   2.201
  116    HB3  ARG  15           HB1      ARG  15   5.420  -3.549   3.036
  117    HG2  ARG  15           HG2      ARG  15   4.523  -1.952   4.526
  118    HG3  ARG  15           HG1      ARG  15   6.049  -1.290   3.936
  119    HD2  ARG  15           HD2      ARG  15   4.627  -0.097   2.171
  120    HD3  ARG  15           HD1      ARG  15   3.249  -0.508   3.186
  121    HE   ARG  15           HE       ARG  15   5.139   1.564   3.638
  122   HH11  ARG  15          1HH1      ARG  15   3.161  -0.779   5.301
  123   HH12  ARG  15          2HH1      ARG  15   3.043   0.162   6.749
  124   HH21  ARG  15          1HH2      ARG  15   4.989   2.803   5.541
  125   HH22  ARG  15          2HH2      ARG  15   4.081   2.196   6.886
  126    H    VAL  16           HN       VAL  16   6.680  -2.572  -0.988
  127    HA   VAL  16           HA       VAL  16   7.209  -5.460  -0.720
  128    HB   VAL  16           HB       VAL  16   5.322  -4.630  -2.344
  129   HG11  VAL  16          1HG1      VAL  16   6.097  -4.179  -4.624
  130   HG12  VAL  16          2HG1      VAL  16   7.762  -4.134  -4.047
  131   HG13  VAL  16          3HG1      VAL  16   6.608  -2.919  -3.504
  132   HG21  VAL  16          1HG2      VAL  16   7.398  -6.517  -3.431
  133   HG22  VAL  16          2HG2      VAL  16   5.661  -6.529  -3.734
  134   HG23  VAL  16          3HG2      VAL  16   6.280  -6.933  -2.133
  135    H    ILE  17           HN       ILE  17   8.057  -2.474  -2.325
  136    HA   ILE  17           HA       ILE  17  10.835  -3.008  -1.856
  137    HB   ILE  17           HB       ILE  17   9.851  -2.516  -4.682
  138   HG12  ILE  17          2HG1      ILE  17   9.610  -4.866  -3.948
  139   HG13  ILE  17          1HG1      ILE  17  10.819  -4.690  -5.216
  140   HG21  ILE  17          1HG2      ILE  17  11.811  -1.390  -4.770
  141   HG22  ILE  17          2HG2      ILE  17  12.474  -3.013  -4.960
  142   HG23  ILE  17          3HG2      ILE  17  12.485  -2.236  -3.377
  143   HD11  ILE  17          1HD1      ILE  17  11.127  -5.996  -2.804
  144   HD12  ILE  17          2HD1      ILE  17  11.991  -4.474  -2.585
  145   HD13  ILE  17          3HD1      ILE  17  12.408  -5.539  -3.927
  146    HA   PRO  18           HA       PRO  18   9.598   1.298  -1.409
  147    HB2  PRO  18           HB2      PRO  18  10.335   1.216   1.333
  148    HB3  PRO  18           HB1      PRO  18   8.696   1.181   0.682
  149    HG2  PRO  18           HG2      PRO  18   9.930  -0.913   2.029
  150    HG3  PRO  18           HG1      PRO  18   8.524  -1.079   0.962
  151    HD2  PRO  18           HD2      PRO  18  11.390  -1.433   0.332
  152    HD3  PRO  18           HD1      PRO  18  10.055  -2.480  -0.128
  153    H    LYS  19           HN       LYS  19  10.995   2.958  -0.158
  154    HA   LYS  19           HA       LYS  19  13.564   2.980  -1.340
  155    HB2  LYS  19           HB2      LYS  19  13.870   5.127  -0.300
  156    HB3  LYS  19           HB1      LYS  19  12.221   5.025  -0.896
  157    HG2  LYS  19           HG2      LYS  19  11.428   5.486   1.115
  158    HG3  LYS  19           HG1      LYS  19  12.276   4.099   1.800
  159    HD2  LYS  19           HD2      LYS  19  14.188   6.148   1.327
  160    HD3  LYS  19           HD1      LYS  19  12.812   6.874   2.157
  161    HE2  LYS  19           HE2      LYS  19  13.481   5.988   4.079
  162    HE3  LYS  19           HE1      LYS  19  13.394   4.370   3.386
  163    HZ1  LYS  19           HZ1      LYS  19  15.726   6.200   3.202
  164    HZ2  LYS  19           HZ2      LYS  19  15.644   4.639   2.556
  165    HZ3  LYS  19           HZ3      LYS  19  15.604   4.863   4.232
  166    H    VAL  20           HN       VAL  20  12.358   2.067   1.793
  167    HA   VAL  20           HA       VAL  20  13.340   1.092   3.599
  168    HB   VAL  20           HB       VAL  20  15.697   0.569   1.787
  169   HG11  VAL  20          1HG1      VAL  20  16.426  -0.066   3.862
  170   HG12  VAL  20          2HG1      VAL  20  15.639  -1.555   3.340
  171   HG13  VAL  20          3HG1      VAL  20  14.804  -0.454   4.436
  172   HG21  VAL  20          1HG2      VAL  20  14.175  -0.512   0.522
  173   HG22  VAL  20          2HG2      VAL  20  12.984  -0.574   1.822
  174   HG23  VAL  20          3HG2      VAL  20  14.301  -1.746   1.777
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -15.419  -1.923   2.196
    2    H2   GLY   1           HT2      GLY   1 -14.638  -3.328   2.722
    3    H3   GLY   1           HT3      GLY   1 -15.646  -3.379   1.364
    4    HA2  GLY   1           HA1      GLY   1 -13.427  -1.497   1.261
    5    HA3  GLY   1           HA2      GLY   1 -13.010  -3.203   1.191
    6    H    LEU   2           HN       LEU   2 -13.212  -0.764  -0.751
    7    HA   LEU   2           HA       LEU   2 -13.359  -2.060  -3.141
    8    HB2  LEU   2           HB2      LEU   2 -15.955  -1.994  -2.025
    9    HB3  LEU   2           HB1      LEU   2 -15.950  -0.801  -3.306
   10    HG   LEU   2           HG       LEU   2 -16.730  -2.973  -4.109
   11   HD11  LEU   2          1HD1      LEU   2 -14.052  -2.652  -5.370
   12   HD12  LEU   2          2HD1      LEU   2 -15.199  -1.314  -5.442
   13   HD13  LEU   2          3HD1      LEU   2 -15.633  -2.884  -6.116
   14   HD21  LEU   2          1HD2      LEU   2 -14.089  -3.891  -3.036
   15   HD22  LEU   2          2HD2      LEU   2 -14.876  -4.751  -4.360
   16   HD23  LEU   2          3HD2      LEU   2 -15.692  -4.589  -2.805
   17    H    GLY   3           HN       GLY   3 -11.717  -0.367  -3.070
   18    HA2  GLY   3           HA2      GLY   3 -11.105   1.542  -4.343
   19    HA3  GLY   3           HA1      GLY   3 -12.762   2.121  -4.220
   20    H    SER   4           HN       SER   4 -12.844   1.524  -1.327
   21    HA   SER   4           HA       SER   4 -11.696   4.015  -0.400
   22    HB2  SER   4           HB2      SER   4 -12.945   2.131   1.530
   23    HB3  SER   4           HB1      SER   4 -13.163   3.872   1.355
   24    HG   SER   4           HG       SER   4 -14.328   3.280  -0.653
   25    H    VAL   5           HN       VAL   5 -11.141   0.614  -0.226
   26    HA   VAL   5           HA       VAL   5  -9.245   0.608   1.909
   27    HB   VAL   5           HB       VAL   5  -9.393  -1.354  -0.333
   28   HG11  VAL   5          1HG1      VAL   5  -7.553  -1.408   1.434
   29   HG12  VAL   5          2HG1      VAL   5  -8.435  -2.908   1.148
   30   HG13  VAL   5          3HG1      VAL   5  -8.813  -1.918   2.558
   31   HG21  VAL   5          1HG2      VAL   5 -11.384  -0.814   1.755
   32   HG22  VAL   5          2HG2      VAL   5 -10.932  -2.510   1.580
   33   HG23  VAL   5          3HG2      VAL   5 -11.566  -1.618   0.196
   34    H    PHE   6           HN       PHE   6  -9.212   1.309  -1.456
   35    HA   PHE   6           HA       PHE   6  -6.735   0.749  -2.386
   36    HB2  PHE   6           HB2      PHE   6  -7.261   2.193  -4.045
   37    HB3  PHE   6           HB1      PHE   6  -8.796   2.350  -3.195
   38    HD1  PHE   6           HD1      PHE   6  -5.916   4.052  -4.404
   39    HD2  PHE   6           HD2      PHE   6  -8.989   4.231  -1.466
   40    HE1  PHE   6           HE1      PHE   6  -5.503   6.461  -4.124
   41    HE2  PHE   6           HE2      PHE   6  -8.585   6.641  -1.183
   42    HZ   PHE   6           HZ       PHE   6  -6.839   7.759  -2.512
   43    H    GLY   7           HN       GLY   7  -7.537   2.922   0.166
   44    HA2  GLY   7           HA2      GLY   7  -5.092   4.415   0.187
   45    HA3  GLY   7           HA1      GLY   7  -6.264   4.320   1.496
   46    H    ARG   8           HN       ARG   8  -6.261   1.554   1.892
   47    HA   ARG   8           HA       ARG   8  -3.982   1.256   3.560
   48    HB2  ARG   8           HB2      ARG   8  -5.513  -1.169   2.792
   49    HB3  ARG   8           HB1      ARG   8  -4.994  -0.627   4.379
   50    HG2  ARG   8           HG2      ARG   8  -7.375   0.331   2.808
   51    HG3  ARG   8           HG1      ARG   8  -7.372  -0.586   4.314
   52    HD2  ARG   8           HD2      ARG   8  -6.019   2.074   4.213
   53    HD3  ARG   8           HD1      ARG   8  -7.776   1.997   4.335
   54    HE   ARG   8           HE       ARG   8  -6.352   0.377   6.250
   55   HH11  ARG   8          1HH1      ARG   8  -7.768   3.496   5.588
   56   HH12  ARG   8          2HH1      ARG   8  -7.978   3.894   7.260
   57   HH21  ARG   8          1HH2      ARG   8  -6.627   0.899   8.449
   58   HH22  ARG   8          2HH2      ARG   8  -7.330   2.421   8.884
   59    H    LEU   9           HN       LEU   9  -5.026  -0.458   0.609
   60    HA   LEU   9           HA       LEU   9  -2.765  -2.053   0.291
   61    HB2  LEU   9           HB2      LEU   9  -4.740  -0.917  -1.665
   62    HB3  LEU   9           HB1      LEU   9  -3.403  -1.913  -2.207
   63    HG   LEU   9           HG       LEU   9  -4.359  -3.569  -0.362
   64   HD11  LEU   9          1HD1      LEU   9  -6.512  -1.605  -0.835
   65   HD12  LEU   9          2HD1      LEU   9  -6.185  -2.620   0.570
   66   HD13  LEU   9          3HD1      LEU   9  -6.979  -3.306  -0.848
   67   HD21  LEU   9          1HD2      LEU   9  -4.242  -3.570  -3.040
   68   HD22  LEU   9          2HD2      LEU   9  -5.992  -3.551  -2.822
   69   HD23  LEU   9          3HD2      LEU   9  -5.029  -4.842  -2.105
   70    H    ALA  10           HN       ALA  10  -3.294   1.301  -0.495
   71    HA   ALA  10           HA       ALA  10  -1.333   1.901  -2.303
   72    HB1  ALA  10           HB1      ALA  10  -2.070   3.561   0.100
   73    HB2  ALA  10           HB2      ALA  10  -2.951   3.517  -1.427
   74    HB3  ALA  10           HB3      ALA  10  -1.303   4.142  -1.378
   75    H    ARG  11           HN       ARG  11  -0.868   0.821   0.933
   76    HA   ARG  11           HA       ARG  11   1.846   1.781   1.089
   77    HB2  ARG  11           HB2      ARG  11   1.855   1.032   3.330
   78    HB3  ARG  11           HB1      ARG  11   0.258   1.714   3.064
   79    HG2  ARG  11           HG2      ARG  11  -0.329  -0.799   2.496
   80    HG3  ARG  11           HG1      ARG  11   1.071  -1.102   3.524
   81    HD2  ARG  11           HD2      ARG  11  -1.393   0.475   4.255
   82    HD3  ARG  11           HD1      ARG  11  -0.962  -1.130   4.843
   83    HE   ARG  11           HE       ARG  11   1.025   0.875   5.385
   84   HH11  ARG  11          1HH1      ARG  11  -1.908  -0.632   6.530
   85   HH12  ARG  11          2HH1      ARG  11  -1.626  -0.210   8.185
   86   HH21  ARG  11          1HH2      ARG  11   1.397   1.429   7.562
   87   HH22  ARG  11          2HH2      ARG  11   0.250   0.960   8.771
   88    H    ILE  12           HN       ILE  12   0.145  -1.345   0.787
   89    HA   ILE  12           HA       ILE  12   2.367  -3.000   0.992
   90    HB   ILE  12           HB       ILE  12   1.189  -4.636  -0.386
   91   HG12  ILE  12          2HG1      ILE  12  -1.229  -2.920  -0.571
   92   HG13  ILE  12          1HG1      ILE  12   0.064  -2.600  -1.720
   93   HG21  ILE  12          1HG2      ILE  12  -1.043  -4.436   1.085
   94   HG22  ILE  12          2HG2      ILE  12  -0.016  -3.290   1.946
   95   HG23  ILE  12          3HG2      ILE  12   0.506  -4.962   1.743
   96   HD11  ILE  12          1HD1      ILE  12  -0.668  -4.257  -2.976
   97   HD12  ILE  12          2HD1      ILE  12  -1.923  -4.620  -1.790
   98   HD13  ILE  12          3HD1      ILE  12  -0.342  -5.392  -1.666
   99    H    LEU  13           HN       LEU  13   1.251  -1.075  -1.691
  100    HA   LEU  13           HA       LEU  13   2.986  -2.212  -3.643
  101    HB2  LEU  13           HB2      LEU  13   2.681   0.334  -4.546
  102    HB3  LEU  13           HB1      LEU  13   1.559  -0.972  -4.865
  103    HG   LEU  13           HG       LEU  13   1.063   0.549  -2.384
  104   HD11  LEU  13          1HD1      LEU  13   0.257   1.811  -4.976
  105   HD12  LEU  13          2HD1      LEU  13   1.796   2.214  -4.215
  106   HD13  LEU  13          3HD1      LEU  13   0.284   2.507  -3.356
  107   HD21  LEU  13          1HD2      LEU  13  -1.218   0.203  -3.009
  108   HD22  LEU  13          2HD2      LEU  13  -0.354  -1.303  -3.310
  109   HD23  LEU  13          3HD2      LEU  13  -0.760  -0.236  -4.653
  110    H    GLY  14           HN       GLY  14   3.272   0.115  -1.102
  111    HA2  GLY  14           HA2      GLY  14   5.962   0.888  -1.993
  112    HA3  GLY  14           HA1      GLY  14   5.054   1.623  -0.677
  113    H    ARG  15           HN       ARG  15   4.431  -1.370   0.038
  114    HA   ARG  15           HA       ARG  15   6.793  -1.687   1.761
  115    HB2  ARG  15           HB2      ARG  15   3.933  -2.543   1.967
  116    HB3  ARG  15           HB1      ARG  15   5.162  -3.450   2.837
  117    HG2  ARG  15           HG2      ARG  15   4.364  -1.893   4.379
  118    HG3  ARG  15           HG1      ARG  15   5.890  -1.211   3.810
  119    HD2  ARG  15           HD2      ARG  15   4.599   0.167   2.192
  120    HD3  ARG  15           HD1      ARG  15   3.114  -0.442   2.922
  121    HE   ARG  15           HE       ARG  15   4.433   0.569   5.040
  122   HH11  ARG  15          1HH1      ARG  15   3.658   1.888   1.902
  123   HH12  ARG  15          2HH1      ARG  15   3.588   3.523   2.469
  124   HH21  ARG  15          1HH2      ARG  15   4.341   2.719   5.786
  125   HH22  ARG  15          2HH2      ARG  15   3.977   3.995   4.673
  126    H    VAL  16           HN       VAL  16   6.710  -2.436  -1.064
  127    HA   VAL  16           HA       VAL  16   7.079  -5.355  -0.846
  128    HB   VAL  16           HB       VAL  16   5.330  -4.826  -2.477
  129   HG11  VAL  16          1HG1      VAL  16   5.618  -3.425  -4.342
  130   HG12  VAL  16          2HG1      VAL  16   7.362  -3.326  -4.101
  131   HG13  VAL  16          3HG1      VAL  16   6.270  -2.521  -2.977
  132   HG21  VAL  16          1HG2      VAL  16   7.942  -5.857  -3.525
  133   HG22  VAL  16          2HG2      VAL  16   6.508  -5.791  -4.549
  134   HG23  VAL  16          3HG2      VAL  16   6.494  -6.755  -3.072
  135    H    ILE  17           HN       ILE  17   8.142  -2.385  -2.358
  136    HA   ILE  17           HA       ILE  17  10.873  -3.076  -1.802
  137    HB   ILE  17           HB       ILE  17  10.021  -2.421  -4.637
  138   HG12  ILE  17          2HG1      ILE  17   9.540  -4.768  -4.000
  139   HG13  ILE  17          1HG1      ILE  17  10.783  -4.648  -5.241
  140   HG21  ILE  17          1HG2      ILE  17  12.075  -1.495  -4.643
  141   HG22  ILE  17          2HG2      ILE  17  12.603  -3.167  -4.824
  142   HG23  ILE  17          3HG2      ILE  17  12.609  -2.408  -3.232
  143   HD11  ILE  17          1HD1      ILE  17  10.943  -6.128  -2.950
  144   HD12  ILE  17          2HD1      ILE  17  11.862  -4.680  -2.538
  145   HD13  ILE  17          3HD1      ILE  17  12.306  -5.634  -3.953
  146    HA   PRO  18           HA       PRO  18   9.841   1.279  -1.287
  147    HB2  PRO  18           HB2      PRO  18  10.478   1.091   1.475
  148    HB3  PRO  18           HB1      PRO  18   8.864   1.166   0.769
  149    HG2  PRO  18           HG2      PRO  18   9.925  -1.026   2.103
  150    HG3  PRO  18           HG1      PRO  18   8.555  -1.089   0.981
  151    HD2  PRO  18           HD2      PRO  18  11.421  -1.584   0.449
  152    HD3  PRO  18           HD1      PRO  18  10.050  -2.547  -0.086
  153    H    LYS  19           HN       LYS  19  11.273   2.830   0.056
  154    HA   LYS  19           HA       LYS  19  13.881   2.763  -1.034
  155    HB2  LYS  19           HB2      LYS  19  14.262   4.844   0.147
  156    HB3  LYS  19           HB1      LYS  19  12.664   4.865  -0.586
  157    HG2  LYS  19           HG2      LYS  19  11.682   5.186   1.374
  158    HG3  LYS  19           HG1      LYS  19  12.549   3.833   2.103
  159    HD2  LYS  19           HD2      LYS  19  14.279   6.121   1.668
  160    HD3  LYS  19           HD1      LYS  19  12.890   6.529   2.678
  161    HE2  LYS  19           HE2      LYS  19  14.148   5.723   4.352
  162    HE3  LYS  19           HE1      LYS  19  13.643   4.147   3.745
  163    HZ1  LYS  19           HZ1      LYS  19  15.657   4.016   2.447
  164    HZ2  LYS  19           HZ2      LYS  19  16.048   4.292   4.070
  165    HZ3  LYS  19           HZ3      LYS  19  16.133   5.559   2.953
  166    H    VAL  20           HN       VAL  20  12.523   1.753   1.999
  167    HA   VAL  20           HA       VAL  20  13.398   0.681   3.805
  168    HB   VAL  20           HB       VAL  20  15.843   0.161   2.115
  169   HG11  VAL  20          1HG1      VAL  20  16.452  -1.364   3.656
  170   HG12  VAL  20          2HG1      VAL  20  14.791  -1.867   3.969
  171   HG13  VAL  20          3HG1      VAL  20  15.428  -0.407   4.726
  172   HG21  VAL  20          1HG2      VAL  20  14.389  -0.784   0.674
  173   HG22  VAL  20          2HG2      VAL  20  13.096  -0.872   1.871
  174   HG23  VAL  20          3HG2      VAL  20  14.370  -2.091   1.859
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -15.184  -1.912   2.665
    2    H2   GLY   1           HT2      GLY   1 -15.287  -3.492   2.070
    3    H3   GLY   1           HT3      GLY   1 -16.066  -2.230   1.257
    4    HA2  GLY   1           HA1      GLY   1 -13.605  -1.279   1.206
    5    HA3  GLY   1           HA2      GLY   1 -13.254  -3.001   1.247
    6    H    LEU   2           HN       LEU   2 -13.224  -0.672  -0.832
    7    HA   LEU   2           HA       LEU   2 -13.288  -2.079  -3.158
    8    HB2  LEU   2           HB2      LEU   2 -15.944  -1.873  -2.205
    9    HB3  LEU   2           HB1      LEU   2 -15.822  -0.756  -3.546
   10    HG   LEU   2           HG       LEU   2 -16.630  -2.949  -4.268
   11   HD11  LEU   2          1HD1      LEU   2 -13.912  -2.864  -5.433
   12   HD12  LEU   2          2HD1      LEU   2 -14.889  -1.401  -5.556
   13   HD13  LEU   2          3HD1      LEU   2 -15.487  -2.920  -6.224
   14   HD21  LEU   2          1HD2      LEU   2 -14.096  -3.874  -2.977
   15   HD22  LEU   2          2HD2      LEU   2 -14.791  -4.777  -4.323
   16   HD23  LEU   2          3HD2      LEU   2 -15.726  -4.534  -2.847
   17    H    GLY   3           HN       GLY   3 -11.601  -0.404  -3.011
   18    HA2  GLY   3           HA2      GLY   3 -10.856   1.418  -4.354
   19    HA3  GLY   3           HA1      GLY   3 -12.503   2.039  -4.368
   20    H    SER   4           HN       SER   4 -12.786   1.574  -1.466
   21    HA   SER   4           HA       SER   4 -11.642   4.080  -0.571
   22    HB2  SER   4           HB2      SER   4 -13.086   2.287   1.321
   23    HB3  SER   4           HB1      SER   4 -13.205   4.034   1.114
   24    HG   SER   4           HG       SER   4 -14.259   3.467  -0.966
   25    H    VAL   5           HN       VAL   5 -11.162   0.685  -0.253
   26    HA   VAL   5           HA       VAL   5  -9.428   0.711   2.020
   27    HB   VAL   5           HB       VAL   5  -9.444  -1.326  -0.158
   28   HG11  VAL   5          1HG1      VAL   5  -7.907  -1.183   2.047
   29   HG12  VAL   5          2HG1      VAL   5  -8.375  -2.703   1.285
   30   HG13  VAL   5          3HG1      VAL   5  -9.270  -2.105   2.682
   31   HG21  VAL   5          1HG2      VAL   5 -11.604  -0.655   1.703
   32   HG22  VAL   5          2HG2      VAL   5 -11.168  -2.363   1.684
   33   HG23  VAL   5          3HG2      VAL   5 -11.653  -1.560   0.191
   34    H    PHE   6           HN       PHE   6  -9.148   1.344  -1.335
   35    HA   PHE   6           HA       PHE   6  -6.645   0.687  -2.109
   36    HB2  PHE   6           HB2      PHE   6  -6.967   2.179  -3.789
   37    HB3  PHE   6           HB1      PHE   6  -8.575   2.317  -3.085
   38    HD1  PHE   6           HD1      PHE   6  -5.613   4.056  -4.003
   39    HD2  PHE   6           HD2      PHE   6  -8.932   4.165  -1.343
   40    HE1  PHE   6           HE1      PHE   6  -5.243   6.462  -3.647
   41    HE2  PHE   6           HE2      PHE   6  -8.571   6.571  -0.984
   42    HZ   PHE   6           HZ       PHE   6  -6.724   7.723  -2.135
   43    H    GLY   7           HN       GLY   7  -7.502   2.910   0.385
   44    HA2  GLY   7           HA2      GLY   7  -5.107   4.405   0.556
   45    HA3  GLY   7           HA1      GLY   7  -6.242   4.136   1.874
   46    H    ARG   8           HN       ARG   8  -6.099   1.335   1.978
   47    HA   ARG   8           HA       ARG   8  -3.705   1.005   3.510
   48    HB2  ARG   8           HB2      ARG   8  -6.167  -0.529   2.996
   49    HB3  ARG   8           HB1      ARG   8  -4.739  -1.512   3.286
   50    HG2  ARG   8           HG2      ARG   8  -5.334  -1.293   5.435
   51    HG3  ARG   8           HG1      ARG   8  -4.520   0.267   5.301
   52    HD2  ARG   8           HD2      ARG   8  -7.100   0.721   4.354
   53    HD3  ARG   8           HD1      ARG   8  -7.314  -0.327   5.755
   54    HE   ARG   8           HE       ARG   8  -5.528   1.726   6.429
   55   HH11  ARG   8          1HH1      ARG   8  -8.900   1.288   5.648
   56   HH12  ARG   8          2HH1      ARG   8  -9.425   2.639   6.597
   57   HH21  ARG   8          1HH2      ARG   8  -6.215   3.504   7.677
   58   HH22  ARG   8          2HH2      ARG   8  -7.900   3.898   7.748
   59    H    LEU   9           HN       LEU   9  -4.999  -0.604   0.591
   60    HA   LEU   9           HA       LEU   9  -2.814  -2.196  -0.006
   61    HB2  LEU   9           HB2      LEU   9  -4.815  -0.820  -1.780
   62    HB3  LEU   9           HB1      LEU   9  -3.567  -1.861  -2.437
   63    HG   LEU   9           HG       LEU   9  -4.643  -3.484  -0.531
   64   HD11  LEU   9          1HD1      LEU   9  -6.425  -1.447  -0.522
   65   HD12  LEU   9          2HD1      LEU   9  -6.820  -3.119  -0.124
   66   HD13  LEU   9          3HD1      LEU   9  -7.128  -2.502  -1.747
   67   HD21  LEU   9          1HD2      LEU   9  -4.970  -3.137  -3.450
   68   HD22  LEU   9          2HD2      LEU   9  -6.113  -4.211  -2.643
   69   HD23  LEU   9          3HD2      LEU   9  -4.381  -4.521  -2.528
   70    H    ALA  10           HN       ALA  10  -3.324   1.211  -0.655
   71    HA   ALA  10           HA       ALA  10  -1.341   1.806  -2.457
   72    HB1  ALA  10           HB1      ALA  10  -2.473   3.363  -0.163
   73    HB2  ALA  10           HB2      ALA  10  -2.782   3.543  -1.890
   74    HB3  ALA  10           HB3      ALA  10  -1.232   4.044  -1.215
   75    H    ARG  11           HN       ARG  11  -0.938   0.768   0.801
   76    HA   ARG  11           HA       ARG  11   1.758   1.766   1.001
   77    HB2  ARG  11           HB2      ARG  11   1.703   1.185   3.249
   78    HB3  ARG  11           HB1      ARG  11   0.039   1.637   2.921
   79    HG2  ARG  11           HG2      ARG  11  -0.270  -0.920   2.496
   80    HG3  ARG  11           HG1      ARG  11   1.203  -1.053   3.456
   81    HD2  ARG  11           HD2      ARG  11  -1.322   0.358   4.312
   82    HD3  ARG  11           HD1      ARG  11  -0.830  -1.255   4.825
   83    HE   ARG  11           HE       ARG  11   1.098   0.830   5.352
   84   HH11  ARG  11          1HH1      ARG  11  -1.626  -0.975   6.584
   85   HH12  ARG  11          2HH1      ARG  11  -1.254  -0.643   8.241
   86   HH21  ARG  11          1HH2      ARG  11   1.585   1.267   7.530
   87   HH22  ARG  11          2HH2      ARG  11   0.568   0.630   8.779
   88    H    ILE  12           HN       ILE  12   0.113  -1.388   0.699
   89    HA   ILE  12           HA       ILE  12   2.356  -3.000   0.991
   90    HB   ILE  12           HB       ILE  12   1.244  -4.684  -0.366
   91   HG12  ILE  12          2HG1      ILE  12  -1.214  -3.088  -0.727
   92   HG13  ILE  12          1HG1      ILE  12   0.129  -2.641  -1.769
   93   HG21  ILE  12          1HG2      ILE  12  -0.950  -3.543   1.284
   94   HG22  ILE  12          2HG2      ILE  12   0.581  -3.933   2.070
   95   HG23  ILE  12          3HG2      ILE  12  -0.321  -5.190   1.223
   96   HD11  ILE  12          1HD1      ILE  12  -0.469  -4.278  -3.123
   97   HD12  ILE  12          2HD1      ILE  12  -1.670  -4.855  -1.968
   98   HD13  ILE  12          3HD1      ILE  12  -0.005  -5.428  -1.869
   99    H    LEU  13           HN       LEU  13   1.291  -1.123  -1.752
  100    HA   LEU  13           HA       LEU  13   3.101  -2.259  -3.636
  101    HB2  LEU  13           HB2      LEU  13   2.807   0.278  -4.569
  102    HB3  LEU  13           HB1      LEU  13   1.712  -1.041  -4.922
  103    HG   LEU  13           HG       LEU  13   1.100   0.489  -2.475
  104   HD11  LEU  13          1HD1      LEU  13  -0.131   2.089  -4.254
  105   HD12  LEU  13          2HD1      LEU  13   1.371   1.764  -5.119
  106   HD13  LEU  13          3HD1      LEU  13   1.419   2.471  -3.504
  107   HD21  LEU  13          1HD2      LEU  13  -1.159   0.156  -3.238
  108   HD22  LEU  13          2HD2      LEU  13  -0.280  -1.362  -3.402
  109   HD23  LEU  13          3HD2      LEU  13  -0.590  -0.366  -4.823
  110    H    GLY  14           HN       GLY  14   3.270   0.109  -1.121
  111    HA2  GLY  14           HA2      GLY  14   5.985   0.890  -1.923
  112    HA3  GLY  14           HA1      GLY  14   5.025   1.634  -0.651
  113    H    ARG  15           HN       ARG  15   4.382  -1.322   0.133
  114    HA   ARG  15           HA       ARG  15   6.721  -1.611   1.894
  115    HB2  ARG  15           HB2      ARG  15   3.853  -2.453   2.094
  116    HB3  ARG  15           HB1      ARG  15   5.075  -3.311   3.021
  117    HG2  ARG  15           HG2      ARG  15   4.292  -1.703   4.497
  118    HG3  ARG  15           HG1      ARG  15   5.778  -0.992   3.863
  119    HD2  ARG  15           HD2      ARG  15   4.454   0.307   2.254
  120    HD3  ARG  15           HD1      ARG  15   2.978  -0.391   2.916
  121    HE   ARG  15           HE       ARG  15   3.093   1.115   4.625
  122   HH11  ARG  15          1HH1      ARG  15   6.257   0.862   3.175
  123   HH12  ARG  15          2HH1      ARG  15   6.933   2.139   4.129
  124   HH21  ARG  15          1HH2      ARG  15   3.980   2.793   5.881
  125   HH22  ARG  15          2HH2      ARG  15   5.641   3.234   5.667
  126    H    VAL  16           HN       VAL  16   6.653  -2.439  -0.910
  127    HA   VAL  16           HA       VAL  16   6.997  -5.352  -0.596
  128    HB   VAL  16           HB       VAL  16   5.259  -4.868  -2.251
  129   HG11  VAL  16          1HG1      VAL  16   5.559  -3.533  -4.157
  130   HG12  VAL  16          2HG1      VAL  16   7.304  -3.440  -3.919
  131   HG13  VAL  16          3HG1      VAL  16   6.219  -2.588  -2.823
  132   HG21  VAL  16          1HG2      VAL  16   7.113  -6.676  -2.550
  133   HG22  VAL  16          2HG2      VAL  16   7.618  -5.661  -3.901
  134   HG23  VAL  16          3HG2      VAL  16   5.990  -6.339  -3.867
  135    H    ILE  17           HN       ILE  17   8.087  -2.451  -2.224
  136    HA   ILE  17           HA       ILE  17  10.810  -3.111  -1.609
  137    HB   ILE  17           HB       ILE  17   9.995  -2.610  -4.485
  138   HG12  ILE  17          2HG1      ILE  17   9.511  -4.923  -3.734
  139   HG13  ILE  17          1HG1      ILE  17  10.777  -4.866  -4.955
  140   HG21  ILE  17          1HG2      ILE  17  12.047  -1.687  -4.523
  141   HG22  ILE  17          2HG2      ILE  17  12.587  -3.366  -4.580
  142   HG23  ILE  17          3HG2      ILE  17  12.556  -2.501  -3.043
  143   HD11  ILE  17          1HD1      ILE  17  10.885  -6.192  -2.550
  144   HD12  ILE  17          2HD1      ILE  17  11.840  -4.738  -2.261
  145   HD13  ILE  17          3HD1      ILE  17  12.254  -5.814  -3.596
  146    HA   PRO  18           HA       PRO  18   9.788   1.268  -1.346
  147    HB2  PRO  18           HB2      PRO  18  10.446   1.255   1.415
  148    HB3  PRO  18           HB1      PRO  18   8.825   1.270   0.721
  149    HG2  PRO  18           HG2      PRO  18   9.935  -0.825   2.178
  150    HG3  PRO  18           HG1      PRO  18   8.540  -0.965   1.096
  151    HD2  PRO  18           HD2      PRO  18  11.391  -1.493   0.537
  152    HD3  PRO  18           HD1      PRO  18  10.008  -2.478   0.079
  153    H    LYS  19           HN       LYS  19  11.233   2.903  -0.120
  154    HA   LYS  19           HA       LYS  19  13.814   2.803  -1.243
  155    HB2  LYS  19           HB2      LYS  19  14.230   4.909  -0.086
  156    HB3  LYS  19           HB1      LYS  19  12.642   4.921  -0.841
  157    HG2  LYS  19           HG2      LYS  19  11.635   5.290   1.099
  158    HG3  LYS  19           HG1      LYS  19  12.489   3.952   1.871
  159    HD2  LYS  19           HD2      LYS  19  14.191   6.272   1.383
  160    HD3  LYS  19           HD1      LYS  19  12.822   6.628   2.438
  161    HE2  LYS  19           HE2      LYS  19  14.133   5.832   4.072
  162    HE3  LYS  19           HE1      LYS  19  13.687   4.247   3.442
  163    HZ1  LYS  19           HZ1      LYS  19  15.678   4.203   2.131
  164    HZ2  LYS  19           HZ2      LYS  19  16.099   4.535   3.735
  165    HZ3  LYS  19           HZ3      LYS  19  16.084   5.780   2.590
  166    H    VAL  20           HN       VAL  20  12.548   1.914   1.873
  167    HA   VAL  20           HA       VAL  20  13.474   0.858   3.663
  168    HB   VAL  20           HB       VAL  20  15.875   0.331   1.913
  169   HG11  VAL  20          1HG1      VAL  20  16.471  -0.363   4.026
  170   HG12  VAL  20          2HG1      VAL  20  15.743  -1.831   3.374
  171   HG13  VAL  20          3HG1      VAL  20  14.820  -0.799   4.466
  172   HG21  VAL  20          1HG2      VAL  20  14.373  -0.657   0.548
  173   HG22  VAL  20          2HG2      VAL  20  13.135  -0.748   1.801
  174   HG23  VAL  20          3HG2      VAL  20  14.431  -1.943   1.754
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -15.363  -0.983   0.493
    2    H2   GLY   1           HT2      GLY   1 -15.859  -2.099   1.664
    3    H3   GLY   1           HT3      GLY   1 -16.127  -2.419   0.025
    4    HA2  GLY   1           HA1      GLY   1 -13.419  -2.095   1.180
    5    HA3  GLY   1           HA2      GLY   1 -14.222  -3.653   1.070
    6    H    LEU   2           HN       LEU   2 -13.281  -0.864  -0.919
    7    HA   LEU   2           HA       LEU   2 -12.102  -2.567  -2.899
    8    HB2  LEU   2           HB2      LEU   2 -14.712  -1.177  -3.437
    9    HB3  LEU   2           HB1      LEU   2 -13.577  -1.487  -4.736
   10    HG   LEU   2           HG       LEU   2 -14.993  -3.531  -3.030
   11   HD11  LEU   2          1HD1      LEU   2 -15.634  -4.255  -5.443
   12   HD12  LEU   2          2HD1      LEU   2 -15.214  -2.592  -5.852
   13   HD13  LEU   2          3HD1      LEU   2 -16.484  -2.915  -4.671
   14   HD21  LEU   2          1HD2      LEU   2 -12.739  -4.316  -3.375
   15   HD22  LEU   2          2HD2      LEU   2 -12.828  -3.924  -5.092
   16   HD23  LEU   2          3HD2      LEU   2 -13.832  -5.213  -4.427
   17    H    GLY   3           HN       GLY   3 -13.651   0.614  -3.216
   18    HA2  GLY   3           HA2      GLY   3 -11.112   1.750  -4.073
   19    HA3  GLY   3           HA1      GLY   3 -12.679   2.547  -4.113
   20    H    SER   4           HN       SER   4 -12.906   1.508  -1.181
   21    HA   SER   4           HA       SER   4 -11.877   3.940   0.004
   22    HB2  SER   4           HB2      SER   4 -13.080   1.773   1.669
   23    HB3  SER   4           HB1      SER   4 -13.293   3.521   1.775
   24    HG   SER   4           HG       SER   4 -14.457   3.258  -0.306
   25    H    VAL   5           HN       VAL   5 -11.204   0.544  -0.079
   26    HA   VAL   5           HA       VAL   5  -9.288   0.464   2.036
   27    HB   VAL   5           HB       VAL   5  -9.413  -1.371  -0.315
   28   HG11  VAL   5          1HG1      VAL   5  -7.653  -1.365   1.695
   29   HG12  VAL   5          2HG1      VAL   5  -8.194  -2.848   0.909
   30   HG13  VAL   5          3HG1      VAL   5  -8.918  -2.345   2.437
   31   HG21  VAL   5          1HG2      VAL   5 -11.445  -0.931   1.717
   32   HG22  VAL   5          2HG2      VAL   5 -10.901  -2.609   1.657
   33   HG23  VAL   5          3HG2      VAL   5 -11.538  -1.835   0.205
   34    H    PHE   6           HN       PHE   6  -9.272   1.192  -1.358
   35    HA   PHE   6           HA       PHE   6  -6.743   0.784  -2.227
   36    HB2  PHE   6           HB2      PHE   6  -7.413   2.065  -3.948
   37    HB3  PHE   6           HB1      PHE   6  -8.911   2.302  -3.057
   38    HD1  PHE   6           HD1      PHE   6  -6.131   3.887  -4.557
   39    HD2  PHE   6           HD2      PHE   6  -8.948   4.290  -1.392
   40    HE1  PHE   6           HE1      PHE   6  -5.687   6.306  -4.475
   41    HE2  PHE   6           HE2      PHE   6  -8.511   6.709  -1.306
   42    HZ   PHE   6           HZ       PHE   6  -6.879   7.721  -2.849
   43    H    GLY   7           HN       GLY   7  -7.739   2.960   0.258
   44    HA2  GLY   7           HA2      GLY   7  -5.444   4.651   0.285
   45    HA3  GLY   7           HA1      GLY   7  -6.572   4.421   1.615
   46    H    ARG   8           HN       ARG   8  -6.279   1.657   1.960
   47    HA   ARG   8           HA       ARG   8  -3.862   1.595   3.496
   48    HB2  ARG   8           HB2      ARG   8  -6.190  -0.211   3.083
   49    HB3  ARG   8           HB1      ARG   8  -4.696  -0.940   3.655
   50    HG2  ARG   8           HG2      ARG   8  -5.420  -0.412   5.692
   51    HG3  ARG   8           HG1      ARG   8  -4.940   1.238   5.294
   52    HD2  ARG   8           HD2      ARG   8  -7.574   0.570   4.265
   53    HD3  ARG   8           HD1      ARG   8  -7.472   0.386   6.016
   54    HE   ARG   8           HE       ARG   8  -6.345   2.801   5.598
   55   HH11  ARG   8          1HH1      ARG   8  -9.366   1.387   4.573
   56   HH12  ARG   8          2HH1      ARG   8 -10.206   2.901   4.533
   57   HH21  ARG   8          1HH2      ARG   8  -7.450   4.795   5.545
   58   HH22  ARG   8          2HH2      ARG   8  -9.118   4.833   5.083
   59    H    LEU   9           HN       LEU   9  -5.083  -0.493   0.845
   60    HA   LEU   9           HA       LEU   9  -2.880  -2.018   0.350
   61    HB2  LEU   9           HB2      LEU   9  -5.020  -0.904  -1.374
   62    HB3  LEU   9           HB1      LEU   9  -3.618  -1.568  -2.193
   63    HG   LEU   9           HG       LEU   9  -4.157  -3.582  -0.465
   64   HD11  LEU   9          1HD1      LEU   9  -6.690  -2.075  -0.919
   65   HD12  LEU   9          2HD1      LEU   9  -6.115  -2.906   0.527
   66   HD13  LEU   9          3HD1      LEU   9  -6.730  -3.836  -0.839
   67   HD21  LEU   9          1HD2      LEU   9  -4.019  -3.311  -3.118
   68   HD22  LEU   9          2HD2      LEU   9  -5.754  -3.585  -2.957
   69   HD23  LEU   9          3HD2      LEU   9  -4.612  -4.777  -2.337
   70    H    ALA  10           HN       ALA  10  -3.292   1.352  -0.373
   71    HA   ALA  10           HA       ALA  10  -1.342   1.890  -2.225
   72    HB1  ALA  10           HB1      ALA  10  -2.855   3.586  -1.461
   73    HB2  ALA  10           HB2      ALA  10  -1.201   4.134  -1.186
   74    HB3  ALA  10           HB3      ALA  10  -2.166   3.529   0.161
   75    H    ARG  11           HN       ARG  11  -0.879   0.816   1.021
   76    HA   ARG  11           HA       ARG  11   1.845   1.744   1.144
   77    HB2  ARG  11           HB2      ARG  11   1.740   1.430   3.378
   78    HB3  ARG  11           HB1      ARG  11   0.012   1.445   3.084
   79    HG2  ARG  11           HG2      ARG  11   1.361  -1.192   2.951
   80    HG3  ARG  11           HG1      ARG  11   1.234  -0.428   4.530
   81    HD2  ARG  11           HD2      ARG  11  -1.004  -1.123   2.646
   82    HD3  ARG  11           HD1      ARG  11  -0.677  -1.823   4.228
   83    HE   ARG  11           HE       ARG  11  -1.784   0.836   3.694
   84   HH11  ARG  11          1HH1      ARG  11  -0.826  -1.601   6.014
   85   HH12  ARG  11          2HH1      ARG  11  -1.691  -0.872   7.323
   86   HH21  ARG  11          1HH2      ARG  11  -2.921   1.790   5.423
   87   HH22  ARG  11          2HH2      ARG  11  -2.879   1.049   6.989
   88    H    ILE  12           HN       ILE  12   0.116  -1.364   0.909
   89    HA   ILE  12           HA       ILE  12   2.330  -3.036   1.090
   90    HB   ILE  12           HB       ILE  12   1.116  -4.677  -0.250
   91   HG12  ILE  12          2HG1      ILE  12  -1.267  -2.899  -0.419
   92   HG13  ILE  12          1HG1      ILE  12   0.004  -2.679  -1.614
   93   HG21  ILE  12          1HG2      ILE  12  -1.090  -4.452   1.251
   94   HG22  ILE  12          2HG2      ILE  12  -0.051  -3.296   2.085
   95   HG23  ILE  12          3HG2      ILE  12   0.466  -4.972   1.897
   96   HD11  ILE  12          1HD1      ILE  12  -2.078  -4.533  -1.660
   97   HD12  ILE  12          2HD1      ILE  12  -0.613  -5.463  -1.339
   98   HD13  ILE  12          3HD1      ILE  12  -0.706  -4.426  -2.762
   99    H    LEU  13           HN       LEU  13   1.201  -1.125  -1.607
  100    HA   LEU  13           HA       LEU  13   2.901  -2.335  -3.554
  101    HB2  LEU  13           HB2      LEU  13   2.627   0.167  -4.543
  102    HB3  LEU  13           HB1      LEU  13   1.460  -1.117  -4.785
  103    HG   LEU  13           HG       LEU  13   1.031   0.481  -2.352
  104   HD11  LEU  13          1HD1      LEU  13  -0.165   2.152  -4.081
  105   HD12  LEU  13          2HD1      LEU  13   1.273   1.734  -5.012
  106   HD13  LEU  13          3HD1      LEU  13   1.438   2.438  -3.404
  107   HD21  LEU  13          1HD2      LEU  13  -1.259   0.251  -3.003
  108   HD22  LEU  13          2HD2      LEU  13  -0.473  -1.301  -3.279
  109   HD23  LEU  13          3HD2      LEU  13  -0.805  -0.227  -4.637
  110    H    GLY  14           HN       GLY  14   3.227   0.055  -1.077
  111    HA2  GLY  14           HA2      GLY  14   5.911   0.789  -2.018
  112    HA3  GLY  14           HA1      GLY  14   5.027   1.551  -0.702
  113    H    ARG  15           HN       ARG  15   4.411  -1.439   0.071
  114    HA   ARG  15           HA       ARG  15   6.800  -1.709   1.766
  115    HB2  ARG  15           HB2      ARG  15   3.948  -2.555   2.038
  116    HB3  ARG  15           HB1      ARG  15   5.186  -3.475   2.880
  117    HG2  ARG  15           HG2      ARG  15   4.454  -1.914   4.442
  118    HG3  ARG  15           HG1      ARG  15   5.963  -1.237   3.824
  119    HD2  ARG  15           HD2      ARG  15   4.699   0.210   2.313
  120    HD3  ARG  15           HD1      ARG  15   3.192  -0.483   2.906
  121    HE   ARG  15           HE       ARG  15   3.320   0.903   4.712
  122   HH11  ARG  15          1HH1      ARG  15   6.497   0.668   3.290
  123   HH12  ARG  15          2HH1      ARG  15   7.196   1.842   4.355
  124   HH21  ARG  15          1HH2      ARG  15   4.236   2.446   6.112
  125   HH22  ARG  15          2HH2      ARG  15   5.912   2.853   5.956
  126    H    VAL  16           HN       VAL  16   6.682  -2.513  -1.041
  127    HA   VAL  16           HA       VAL  16   7.079  -5.426  -0.767
  128    HB   VAL  16           HB       VAL  16   5.301  -4.938  -2.389
  129   HG11  VAL  16          1HG1      VAL  16   5.561  -3.586  -4.287
  130   HG12  VAL  16          2HG1      VAL  16   7.311  -3.503  -4.095
  131   HG13  VAL  16          3HG1      VAL  16   6.261  -2.648  -2.968
  132   HG21  VAL  16          1HG2      VAL  16   7.713  -5.739  -3.982
  133   HG22  VAL  16          2HG2      VAL  16   6.057  -6.332  -4.105
  134   HG23  VAL  16          3HG2      VAL  16   7.052  -6.777  -2.718
  135    H    ILE  17           HN       ILE  17   8.098  -2.481  -2.353
  136    HA   ILE  17           HA       ILE  17  10.837  -3.130  -1.806
  137    HB   ILE  17           HB       ILE  17   9.968  -2.562  -4.655
  138   HG12  ILE  17          2HG1      ILE  17   9.535  -4.902  -3.955
  139   HG13  ILE  17          1HG1      ILE  17  10.775  -4.791  -5.198
  140   HG21  ILE  17          1HG2      ILE  17  12.005  -1.598  -4.685
  141   HG22  ILE  17          2HG2      ILE  17  12.559  -3.265  -4.833
  142   HG23  ILE  17          3HG2      ILE  17  12.561  -2.473  -3.258
  143   HD11  ILE  17          1HD1      ILE  17  10.947  -6.165  -2.815
  144   HD12  ILE  17          2HD1      ILE  17  11.905  -4.710  -2.537
  145   HD13  ILE  17          3HD1      ILE  17  12.282  -5.766  -3.898
  146    HA   PRO  18           HA       PRO  18   9.765   1.221  -1.383
  147    HB2  PRO  18           HB2      PRO  18  10.445   1.108   1.372
  148    HB3  PRO  18           HB1      PRO  18   8.819   1.139   0.690
  149    HG2  PRO  18           HG2      PRO  18   9.942  -1.004   2.059
  150    HG3  PRO  18           HG1      PRO  18   8.552  -1.114   0.965
  151    HD2  PRO  18           HD2      PRO  18  11.413  -1.578   0.393
  152    HD3  PRO  18           HD1      PRO  18  10.048  -2.574  -0.096
  153    H    LYS  19           HN       LYS  19  11.189   2.825  -0.110
  154    HA   LYS  19           HA       LYS  19  13.775   2.790  -1.237
  155    HB2  LYS  19           HB2      LYS  19  14.144   4.885  -0.054
  156    HB3  LYS  19           HB1      LYS  19  12.553   4.877  -0.802
  157    HG2  LYS  19           HG2      LYS  19  11.528   5.152   1.146
  158    HG3  LYS  19           HG1      LYS  19  12.469   3.870   1.910
  159    HD2  LYS  19           HD2      LYS  19  14.121   6.181   1.443
  160    HD3  LYS  19           HD1      LYS  19  12.673   6.635   2.342
  161    HE2  LYS  19           HE2      LYS  19  13.823   5.960   4.143
  162    HE3  LYS  19           HE1      LYS  19  13.413   4.333   3.604
  163    HZ1  LYS  19           HZ1      LYS  19  15.522   4.288   2.373
  164    HZ2  LYS  19           HZ2      LYS  19  15.758   4.482   4.037
  165    HZ3  LYS  19           HZ3      LYS  19  15.919   5.809   3.001
  166    H    VAL  20           HN       VAL  20  12.510   1.820   1.859
  167    HA   VAL  20           HA       VAL  20  13.455   0.780   3.651
  168    HB   VAL  20           HB       VAL  20  15.834   0.256   1.870
  169   HG11  VAL  20          1HG1      VAL  20  16.364  -0.346   4.079
  170   HG12  VAL  20          2HG1      VAL  20  15.883  -1.853   3.298
  171   HG13  VAL  20          3HG1      VAL  20  14.759  -1.017   4.370
  172   HG21  VAL  20          1HG2      VAL  20  14.305  -0.725   0.528
  173   HG22  VAL  20          2HG2      VAL  20  13.096  -0.838   1.807
  174   HG23  VAL  20          3HG2      VAL  20  14.402  -2.020   1.722
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -15.149  -1.105   1.877
    2    H2   GLY   1           HT2      GLY   1 -15.159  -2.795   1.812
    3    H3   GLY   1           HT3      GLY   1 -15.977  -1.900   0.633
    4    HA2  GLY   1           HA1      GLY   1 -13.126  -1.374   0.941
    5    HA3  GLY   1           HA2      GLY   1 -13.575  -2.918   0.231
    6    H    LEU   2           HN       LEU   2 -12.507  -2.121  -1.704
    7    HA   LEU   2           HA       LEU   2 -12.542  -1.292  -3.823
    8    HB2  LEU   2           HB2      LEU   2 -15.475  -1.101  -3.157
    9    HB3  LEU   2           HB1      LEU   2 -14.840  -0.625  -4.719
   10    HG   LEU   2           HG       LEU   2 -15.808  -2.917  -4.672
   11   HD11  LEU   2          1HD1      LEU   2 -13.507  -3.965  -5.534
   12   HD12  LEU   2          2HD1      LEU   2 -13.055  -2.260  -5.516
   13   HD13  LEU   2          3HD1      LEU   2 -14.441  -2.795  -6.467
   14   HD21  LEU   2          1HD2      LEU   2 -14.761  -3.268  -2.291
   15   HD22  LEU   2          2HD2      LEU   2 -13.387  -3.867  -3.221
   16   HD23  LEU   2          3HD2      LEU   2 -14.970  -4.626  -3.397
   17    H    GLY   3           HN       GLY   3 -11.223   0.463  -3.214
   18    HA2  GLY   3           HA2      GLY   3 -10.925   2.773  -3.719
   19    HA3  GLY   3           HA1      GLY   3 -12.622   3.042  -3.344
   20    H    SER   4           HN       SER   4 -12.577   1.538  -0.877
   21    HA   SER   4           HA       SER   4 -11.498   3.602   0.848
   22    HB2  SER   4           HB2      SER   4 -12.773   1.056   1.825
   23    HB3  SER   4           HB1      SER   4 -12.785   2.656   2.568
   24    HG   SER   4           HG       SER   4 -14.193   1.812   0.257
   25    H    VAL   5           HN       VAL   5 -10.963   0.258   0.031
   26    HA   VAL   5           HA       VAL   5  -8.911  -0.243   1.963
   27    HB   VAL   5           HB       VAL   5  -9.300  -1.687  -0.621
   28   HG11  VAL   5          1HG1      VAL   5  -8.539  -2.862   2.035
   29   HG12  VAL   5          2HG1      VAL   5  -7.342  -2.136   0.963
   30   HG13  VAL   5          3HG1      VAL   5  -8.282  -3.526   0.421
   31   HG21  VAL   5          1HG2      VAL   5 -11.434  -2.027   0.013
   32   HG22  VAL   5          2HG2      VAL   5 -11.117  -1.549   1.680
   33   HG23  VAL   5          3HG2      VAL   5 -10.731  -3.184   1.142
   34    H    PHE   6           HN       PHE   6  -9.094   0.846  -1.359
   35    HA   PHE   6           HA       PHE   6  -6.587   0.506  -2.347
   36    HB2  PHE   6           HB2      PHE   6  -7.483   1.770  -3.966
   37    HB3  PHE   6           HB1      PHE   6  -8.790   2.232  -2.883
   38    HD1  PHE   6           HD1      PHE   6  -8.313   4.201  -1.281
   39    HD2  PHE   6           HD2      PHE   6  -6.022   3.374  -4.769
   40    HE1  PHE   6           HE1      PHE   6  -7.502   6.523  -1.292
   41    HE2  PHE   6           HE2      PHE   6  -5.206   5.696  -4.788
   42    HZ   PHE   6           HZ       PHE   6  -5.945   7.273  -3.048
   43    H    GLY   7           HN       GLY   7  -7.531   2.510   0.302
   44    HA2  GLY   7           HA2      GLY   7  -5.259   4.221   0.378
   45    HA3  GLY   7           HA1      GLY   7  -6.339   3.878   1.725
   46    H    ARG   8           HN       ARG   8  -5.974   1.066   1.755
   47    HA   ARG   8           HA       ARG   8  -3.455   0.943   3.170
   48    HB2  ARG   8           HB2      ARG   8  -5.641  -1.102   2.750
   49    HB3  ARG   8           HB1      ARG   8  -4.198  -1.389   3.711
   50    HG2  ARG   8           HG2      ARG   8  -5.637  -0.786   5.361
   51    HG3  ARG   8           HG1      ARG   8  -5.005   0.806   4.937
   52    HD2  ARG   8           HD2      ARG   8  -7.149   0.327   3.190
   53    HD3  ARG   8           HD1      ARG   8  -7.697  -0.188   4.783
   54    HE   ARG   8           HE       ARG   8  -7.070   2.506   3.934
   55   HH11  ARG   8          1HH1      ARG   8  -7.621   0.360   6.634
   56   HH12  ARG   8          2HH1      ARG   8  -8.029   1.639   7.727
   57   HH21  ARG   8          1HH2      ARG   8  -7.609   4.187   5.373
   58   HH22  ARG   8          2HH2      ARG   8  -8.022   3.811   7.012
   59    H    LEU   9           HN       LEU   9  -4.965  -0.559   0.325
   60    HA   LEU   9           HA       LEU   9  -2.939  -2.342  -0.348
   61    HB2  LEU   9           HB2      LEU   9  -5.138  -0.995  -1.774
   62    HB3  LEU   9           HB1      LEU   9  -3.826  -1.549  -2.796
   63    HG   LEU   9           HG       LEU   9  -4.220  -3.784  -1.352
   64   HD11  LEU   9          1HD1      LEU   9  -6.775  -2.239  -1.261
   65   HD12  LEU   9          2HD1      LEU   9  -6.010  -3.220  -0.011
   66   HD13  LEU   9          3HD1      LEU   9  -6.804  -3.999  -1.379
   67   HD21  LEU   9          1HD2      LEU   9  -4.429  -3.119  -3.927
   68   HD22  LEU   9          2HD2      LEU   9  -6.135  -3.397  -3.577
   69   HD23  LEU   9          3HD2      LEU   9  -4.958  -4.681  -3.301
   70    H    ALA  10           HN       ALA  10  -3.399   0.945  -1.669
   71    HA   ALA  10           HA       ALA  10  -1.126   1.171  -3.191
   72    HB1  ALA  10           HB1      ALA  10  -1.988   3.504  -1.545
   73    HB2  ALA  10           HB2      ALA  10  -3.082   2.833  -2.755
   74    HB3  ALA  10           HB3      ALA  10  -1.499   3.442  -3.238
   75    H    ARG  11           HN       ARG  11  -1.331   1.035   0.240
   76    HA   ARG  11           HA       ARG  11   1.292   2.160   0.668
   77    HB2  ARG  11           HB2      ARG  11  -0.155   2.797   2.360
   78    HB3  ARG  11           HB1      ARG  11  -0.958   1.238   2.407
   79    HG2  ARG  11           HG2      ARG  11   1.692   0.757   3.195
   80    HG3  ARG  11           HG1      ARG  11   1.192   2.234   4.018
   81    HD2  ARG  11           HD2      ARG  11   0.306   0.813   5.518
   82    HD3  ARG  11           HD1      ARG  11  -1.011   0.706   4.350
   83    HE   ARG  11           HE       ARG  11   0.732  -1.219   3.548
   84   HH11  ARG  11          1HH1      ARG  11  -0.859  -0.494   6.568
   85   HH12  ARG  11          2HH1      ARG  11  -0.920  -2.147   7.077
   86   HH21  ARG  11          1HH2      ARG  11   0.654  -3.395   4.217
   87   HH22  ARG  11          2HH2      ARG  11  -0.061  -3.794   5.743
   88    H    ILE  12           HN       ILE  12  -0.319  -1.023   0.982
   89    HA   ILE  12           HA       ILE  12   1.853  -2.405   2.031
   90    HB   ILE  12           HB       ILE  12   0.915  -4.439   1.305
   91   HG12  ILE  12          2HG1      ILE  12  -1.302  -4.031  -0.236
   92   HG13  ILE  12          1HG1      ILE  12  -0.208  -2.821  -0.883
   93   HG21  ILE  12          1HG2      ILE  12  -1.713  -3.513   1.637
   94   HG22  ILE  12          2HG2      ILE  12  -0.680  -2.395   2.528
   95   HG23  ILE  12          3HG2      ILE  12  -0.617  -4.123   2.877
   96   HD11  ILE  12          1HD1      ILE  12  -0.304  -5.538  -1.498
   97   HD12  ILE  12          2HD1      ILE  12   1.171  -5.307  -0.558
   98   HD13  ILE  12          3HD1      ILE  12   0.898  -4.358  -2.019
   99    H    LEU  13           HN       LEU  13   1.083  -1.709  -1.356
  100    HA   LEU  13           HA       LEU  13   3.180  -3.185  -2.500
  101    HB2  LEU  13           HB2      LEU  13   3.073  -1.136  -4.221
  102    HB3  LEU  13           HB1      LEU  13   1.897  -2.433  -4.213
  103    HG   LEU  13           HG       LEU  13   1.141  -0.269  -2.423
  104   HD11  LEU  13          1HD1      LEU  13   1.181   0.415  -5.352
  105   HD12  LEU  13          2HD1      LEU  13   2.432   0.955  -4.233
  106   HD13  LEU  13          3HD1      LEU  13   0.757   1.450  -3.988
  107   HD21  LEU  13          1HD2      LEU  13  -0.979  -0.592  -3.436
  108   HD22  LEU  13          2HD2      LEU  13  -0.246  -2.189  -3.323
  109   HD23  LEU  13          3HD2      LEU  13  -0.265  -1.334  -4.865
  110    H    GLY  14           HN       GLY  14   3.000  -0.052  -0.951
  111    HA2  GLY  14           HA2      GLY  14   5.596   0.870  -1.629
  112    HA3  GLY  14           HA1      GLY  14   4.662   1.370  -0.221
  113    H    ARG  15           HN       ARG  15   4.450  -1.573   0.483
  114    HA   ARG  15           HA       ARG  15   7.005  -1.765   1.924
  115    HB2  ARG  15           HB2      ARG  15   4.280  -2.958   2.400
  116    HB3  ARG  15           HB1      ARG  15   5.709  -3.554   3.232
  117    HG2  ARG  15           HG2      ARG  15   4.857  -2.051   4.747
  118    HG3  ARG  15           HG1      ARG  15   6.047  -1.068   3.890
  119    HD2  ARG  15           HD2      ARG  15   4.462   0.178   2.831
  120    HD3  ARG  15           HD1      ARG  15   3.287  -1.136   2.809
  121    HE   ARG  15           HE       ARG  15   2.512  -0.451   4.865
  122   HH11  ARG  15          1HH1      ARG  15   5.499   1.206   4.148
  123   HH12  ARG  15          2HH1      ARG  15   5.335   2.326   5.459
  124   HH21  ARG  15          1HH2      ARG  15   2.297   1.024   6.587
  125   HH22  ARG  15          2HH2      ARG  15   3.521   2.223   6.843
  126    H    VAL  16           HN       VAL  16   6.637  -2.445  -0.886
  127    HA   VAL  16           HA       VAL  16   7.174  -5.342  -0.814
  128    HB   VAL  16           HB       VAL  16   5.213  -4.260  -2.298
  129   HG11  VAL  16          1HG1      VAL  16   5.914  -4.016  -4.631
  130   HG12  VAL  16          2HG1      VAL  16   7.600  -4.170  -4.141
  131   HG13  VAL  16          3HG1      VAL  16   6.649  -2.788  -3.603
  132   HG21  VAL  16          1HG2      VAL  16   6.978  -6.467  -3.336
  133   HG22  VAL  16          2HG2      VAL  16   5.258  -6.238  -3.647
  134   HG23  VAL  16          3HG2      VAL  16   5.813  -6.652  -2.025
  135    H    ILE  17           HN       ILE  17   7.939  -2.279  -2.325
  136    HA   ILE  17           HA       ILE  17  10.737  -2.854  -2.057
  137    HB   ILE  17           HB       ILE  17   9.542  -2.288  -4.786
  138   HG12  ILE  17          2HG1      ILE  17   9.507  -4.668  -4.083
  139   HG13  ILE  17          1HG1      ILE  17  10.566  -4.386  -5.461
  140   HG21  ILE  17          1HG2      ILE  17  11.419  -1.049  -5.005
  141   HG22  ILE  17          2HG2      ILE  17  12.158  -2.625  -5.283
  142   HG23  ILE  17          3HG2      ILE  17  12.251  -1.877  -3.689
  143   HD11  ILE  17          1HD1      ILE  17  11.504  -4.608  -2.612
  144   HD12  ILE  17          2HD1      ILE  17  12.507  -4.509  -4.060
  145   HD13  ILE  17          3HD1      ILE  17  11.503  -5.931  -3.778
  146    HA   PRO  18           HA       PRO  18   9.576   1.433  -1.311
  147    HB2  PRO  18           HB2      PRO  18  10.443   1.189   1.380
  148    HB3  PRO  18           HB1      PRO  18   8.774   1.203   0.809
  149    HG2  PRO  18           HG2      PRO  18  10.052  -0.972   1.975
  150    HG3  PRO  18           HG1      PRO  18   8.593  -1.069   0.975
  151    HD2  PRO  18           HD2      PRO  18  11.421  -1.406   0.181
  152    HD3  PRO  18           HD1      PRO  18  10.055  -2.418  -0.268
  153    H    LYS  19           HN       LYS  19  11.045   3.003  -0.029
  154    HA   LYS  19           HA       LYS  19  13.570   3.064  -1.321
  155    HB2  LYS  19           HB2      LYS  19  13.928   5.166  -0.176
  156    HB3  LYS  19           HB1      LYS  19  12.280   5.104  -0.785
  157    HG2  LYS  19           HG2      LYS  19  11.450   5.421   1.242
  158    HG3  LYS  19           HG1      LYS  19  12.386   4.077   1.896
  159    HD2  LYS  19           HD2      LYS  19  14.016   6.430   1.361
  160    HD3  LYS  19           HD1      LYS  19  12.716   6.748   2.511
  161    HE2  LYS  19           HE2      LYS  19  14.093   5.906   4.054
  162    HE3  LYS  19           HE1      LYS  19  13.700   4.332   3.365
  163    HZ1  LYS  19           HZ1      LYS  19  15.637   4.413   2.009
  164    HZ2  LYS  19           HZ2      LYS  19  16.116   4.784   3.588
  165    HZ3  LYS  19           HZ3      LYS  19  15.961   6.017   2.441
  166    H    VAL  20           HN       VAL  20  12.468   2.037   1.814
  167    HA   VAL  20           HA       VAL  20  13.509   1.047   3.577
  168    HB   VAL  20           HB       VAL  20  15.769   0.465   1.664
  169   HG11  VAL  20          1HG1      VAL  20  16.525  -0.225   3.719
  170   HG12  VAL  20          2HG1      VAL  20  15.697  -1.682   3.169
  171   HG13  VAL  20          3HG1      VAL  20  14.906  -0.597   4.311
  172   HG21  VAL  20          1HG2      VAL  20  14.169  -0.527   0.427
  173   HG22  VAL  20          2HG2      VAL  20  13.015  -0.566   1.760
  174   HG23  VAL  20          3HG2      VAL  20  14.280  -1.790   1.652
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -13.359  -0.602   1.188
    2    H2   GLY   1           HT2      GLY   1 -14.227  -1.231   2.496
    3    H3   GLY   1           HT3      GLY   1 -15.046  -0.700   1.115
    4    HA2  GLY   1           HA1      GLY   1 -13.110  -2.945   1.106
    5    HA3  GLY   1           HA2      GLY   1 -14.840  -3.165   1.315
    6    H    LEU   2           HN       LEU   2 -13.269  -0.804  -0.786
    7    HA   LEU   2           HA       LEU   2 -13.126  -2.039  -3.195
    8    HB2  LEU   2           HB2      LEU   2 -15.853  -2.015  -2.404
    9    HB3  LEU   2           HB1      LEU   2 -15.691  -0.838  -3.688
   10    HG   LEU   2           HG       LEU   2 -16.342  -3.061  -4.522
   11   HD11  LEU   2          1HD1      LEU   2 -15.371  -2.041  -6.276
   12   HD12  LEU   2          2HD1      LEU   2 -14.111  -3.248  -6.020
   13   HD13  LEU   2          3HD1      LEU   2 -13.919  -1.621  -5.367
   14   HD21  LEU   2          1HD2      LEU   2 -13.807  -3.857  -3.154
   15   HD22  LEU   2          2HD2      LEU   2 -14.354  -4.737  -4.581
   16   HD23  LEU   2          3HD2      LEU   2 -15.382  -4.650  -3.150
   17    H    GLY   3           HN       GLY   3 -11.541  -0.343  -3.019
   18    HA2  GLY   3           HA2      GLY   3 -10.866   1.610  -4.188
   19    HA3  GLY   3           HA1      GLY   3 -12.534   2.168  -4.164
   20    H    SER   4           HN       SER   4 -12.789   1.484  -1.290
   21    HA   SER   4           HA       SER   4 -11.746   3.971  -0.233
   22    HB2  SER   4           HB2      SER   4 -12.908   2.575   1.881
   23    HB3  SER   4           HB1      SER   4 -13.698   3.796   0.885
   24    HG   SER   4           HG       SER   4 -14.495   2.170  -0.429
   25    H    VAL   5           HN       VAL   5 -11.155   0.575  -0.102
   26    HA   VAL   5           HA       VAL   5  -9.350   0.584   2.127
   27    HB   VAL   5           HB       VAL   5  -9.434  -1.434  -0.066
   28   HG11  VAL   5          1HG1      VAL   5  -8.479  -1.359   2.745
   29   HG12  VAL   5          2HG1      VAL   5  -7.744  -2.096   1.321
   30   HG13  VAL   5          3HG1      VAL   5  -9.098  -2.889   2.126
   31   HG21  VAL   5          1HG2      VAL   5 -11.533  -0.796   1.881
   32   HG22  VAL   5          2HG2      VAL   5 -11.100  -2.503   1.799
   33   HG23  VAL   5          3HG2      VAL   5 -11.636  -1.659   0.347
   34    H    PHE   6           HN       PHE   6  -9.211   1.251  -1.233
   35    HA   PHE   6           HA       PHE   6  -6.738   0.616  -2.116
   36    HB2  PHE   6           HB2      PHE   6  -7.098   2.161  -3.755
   37    HB3  PHE   6           HB1      PHE   6  -8.703   2.214  -3.029
   38    HD1  PHE   6           HD1      PHE   6  -6.015   4.153  -4.129
   39    HD2  PHE   6           HD2      PHE   6  -8.924   3.939  -1.031
   40    HE1  PHE   6           HE1      PHE   6  -5.739   6.562  -3.709
   41    HE2  PHE   6           HE2      PHE   6  -8.656   6.347  -0.606
   42    HZ   PHE   6           HZ       PHE   6  -7.061   7.662  -1.945
   43    H    GLY   7           HN       GLY   7  -7.505   2.813   0.429
   44    HA2  GLY   7           HA2      GLY   7  -5.108   4.316   0.512
   45    HA3  GLY   7           HA1      GLY   7  -6.196   4.046   1.869
   46    H    ARG   8           HN       ARG   8  -6.052   1.250   1.979
   47    HA   ARG   8           HA       ARG   8  -3.609   0.924   3.432
   48    HB2  ARG   8           HB2      ARG   8  -5.988  -0.788   2.840
   49    HB3  ARG   8           HB1      ARG   8  -4.519  -1.555   3.427
   50    HG2  ARG   8           HG2      ARG   8  -5.394  -1.155   5.446
   51    HG3  ARG   8           HG1      ARG   8  -4.773   0.478   5.196
   52    HD2  ARG   8           HD2      ARG   8  -7.106   0.776   3.976
   53    HD3  ARG   8           HD1      ARG   8  -7.560  -0.546   5.051
   54    HE   ARG   8           HE       ARG   8  -6.222   1.612   6.391
   55   HH11  ARG   8          1HH1      ARG   8  -9.302   0.439   5.244
   56   HH12  ARG   8          2HH1      ARG   8 -10.221   1.370   6.378
   57   HH21  ARG   8          1HH2      ARG   8  -7.428   2.836   7.885
   58   HH22  ARG   8          2HH2      ARG   8  -9.157   2.732   7.878
   59    H    LEU   9           HN       LEU   9  -4.981  -0.687   0.551
   60    HA   LEU   9           HA       LEU   9  -2.814  -2.272  -0.108
   61    HB2  LEU   9           HB2      LEU   9  -4.973  -0.975  -1.715
   62    HB3  LEU   9           HB1      LEU   9  -3.669  -1.800  -2.547
   63    HG   LEU   9           HG       LEU   9  -4.334  -3.748  -0.849
   64   HD11  LEU   9          1HD1      LEU   9  -6.868  -2.160  -1.223
   65   HD12  LEU   9          2HD1      LEU   9  -6.060  -2.527   0.301
   66   HD13  LEU   9          3HD1      LEU   9  -6.796  -3.823  -0.641
   67   HD21  LEU   9          1HD2      LEU   9  -4.465  -3.405  -3.499
   68   HD22  LEU   9          2HD2      LEU   9  -6.189  -3.501  -3.138
   69   HD23  LEU   9          3HD2      LEU   9  -5.116  -4.825  -2.680
   70    H    ALA  10           HN       ALA  10  -3.411   1.107  -0.942
   71    HA   ALA  10           HA       ALA  10  -1.410   1.634  -2.736
   72    HB1  ALA  10           HB1      ALA  10  -2.498   3.363  -0.532
   73    HB2  ALA  10           HB2      ALA  10  -2.995   3.319  -2.223
   74    HB3  ALA  10           HB3      ALA  10  -1.408   3.954  -1.786
   75    H    ARG  11           HN       ARG  11  -1.020   0.833   0.595
   76    HA   ARG  11           HA       ARG  11   1.649   1.910   0.734
   77    HB2  ARG  11           HB2      ARG  11   1.600   1.515   3.020
   78    HB3  ARG  11           HB1      ARG  11  -0.074   1.896   2.655
   79    HG2  ARG  11           HG2      ARG  11  -0.170  -0.770   2.407
   80    HG3  ARG  11           HG1      ARG  11   1.144  -0.629   3.572
   81    HD2  ARG  11           HD2      ARG  11  -1.666   0.422   3.826
   82    HD3  ARG  11           HD1      ARG  11  -0.889  -0.825   4.801
   83    HE   ARG  11           HE       ARG  11   0.442   1.718   4.918
   84   HH11  ARG  11          1HH1      ARG  11  -2.124  -0.226   6.265
   85   HH12  ARG  11          2HH1      ARG  11  -2.148   0.626   7.772
   86   HH21  ARG  11          1HH2      ARG  11   0.412   2.841   6.901
   87   HH22  ARG  11          2HH2      ARG  11  -0.709   2.367   8.134
   88    H    ILE  12           HN       ILE  12   0.077  -1.287   0.613
   89    HA   ILE  12           HA       ILE  12   2.342  -2.836   1.050
   90    HB   ILE  12           HB       ILE  12   1.295  -4.624  -0.211
   91   HG12  ILE  12          2HG1      ILE  12  -1.186  -3.133  -0.765
   92   HG13  ILE  12          1HG1      ILE  12   0.180  -2.692  -1.779
   93   HG21  ILE  12          1HG2      ILE  12  -1.058  -4.355   1.041
   94   HG22  ILE  12          2HG2      ILE  12  -0.141  -3.089   1.859
   95   HG23  ILE  12          3HG2      ILE  12   0.443  -4.753   1.877
   96   HD11  ILE  12          1HD1      ILE  12  -0.398  -4.398  -3.067
   97   HD12  ILE  12          2HD1      ILE  12  -1.494  -5.044  -1.846
   98   HD13  ILE  12          3HD1      ILE  12   0.221  -5.449  -1.792
   99    H    LEU  13           HN       LEU  13   1.292  -1.160  -1.827
  100    HA   LEU  13           HA       LEU  13   3.163  -2.367  -3.599
  101    HB2  LEU  13           HB2      LEU  13   2.828   0.106  -4.689
  102    HB3  LEU  13           HB1      LEU  13   1.778  -1.264  -4.985
  103    HG   LEU  13           HG       LEU  13   1.083   0.403  -2.647
  104   HD11  LEU  13          1HD1      LEU  13   0.333   1.434  -5.351
  105   HD12  LEU  13          2HD1      LEU  13   1.844   1.939  -4.595
  106   HD13  LEU  13          3HD1      LEU  13   0.307   2.256  -3.790
  107   HD21  LEU  13          1HD2      LEU  13  -1.142  -0.098  -3.351
  108   HD22  LEU  13          2HD2      LEU  13  -0.201  -1.580  -3.504
  109   HD23  LEU  13          3HD2      LEU  13  -0.585  -0.627  -4.937
  110    H    GLY  14           HN       GLY  14   3.244   0.135  -1.216
  111    HA2  GLY  14           HA2      GLY  14   5.955   0.935  -2.023
  112    HA3  GLY  14           HA1      GLY  14   4.960   1.724  -0.804
  113    H    ARG  15           HN       ARG  15   4.338  -1.157   0.151
  114    HA   ARG  15           HA       ARG  15   6.669  -1.356   1.933
  115    HB2  ARG  15           HB2      ARG  15   3.793  -2.171   2.179
  116    HB3  ARG  15           HB1      ARG  15   5.014  -2.937   3.186
  117    HG2  ARG  15           HG2      ARG  15   4.222  -1.216   4.516
  118    HG3  ARG  15           HG1      ARG  15   5.694  -0.538   3.816
  119    HD2  ARG  15           HD2      ARG  15   4.360   0.610   2.119
  120    HD3  ARG  15           HD1      ARG  15   2.890  -0.078   2.806
  121    HE   ARG  15           HE       ARG  15   2.973   1.482   4.487
  122   HH11  ARG  15          1HH1      ARG  15   6.019   1.475   2.782
  123   HH12  ARG  15          2HH1      ARG  15   6.611   2.892   3.581
  124   HH21  ARG  15          1HH2      ARG  15   3.752   3.345   5.539
  125   HH22  ARG  15          2HH2      ARG  15   5.326   3.954   5.146
  126    H    VAL  16           HN       VAL  16   6.589  -2.363  -0.812
  127    HA   VAL  16           HA       VAL  16   6.873  -5.257  -0.318
  128    HB   VAL  16           HB       VAL  16   5.143  -4.803  -2.004
  129   HG11  VAL  16          1HG1      VAL  16   5.530  -3.643  -4.019
  130   HG12  VAL  16          2HG1      VAL  16   7.270  -3.580  -3.738
  131   HG13  VAL  16          3HG1      VAL  16   6.180  -2.620  -2.739
  132   HG21  VAL  16          1HG2      VAL  16   6.865  -6.728  -2.153
  133   HG22  VAL  16          2HG2      VAL  16   7.493  -5.835  -3.539
  134   HG23  VAL  16          3HG2      VAL  16   5.822  -6.400  -3.536
  135    H    ILE  17           HN       ILE  17   8.042  -2.484  -2.111
  136    HA   ILE  17           HA       ILE  17  10.745  -3.195  -1.452
  137    HB   ILE  17           HB       ILE  17   9.944  -2.828  -4.353
  138   HG12  ILE  17          2HG1      ILE  17   9.392  -5.079  -3.470
  139   HG13  ILE  17          1HG1      ILE  17  10.654  -5.129  -4.697
  140   HG21  ILE  17          1HG2      ILE  17  12.023  -1.956  -4.419
  141   HG22  ILE  17          2HG2      ILE  17  12.502  -3.654  -4.434
  142   HG23  ILE  17          3HG2      ILE  17  12.520  -2.745  -2.922
  143   HD11  ILE  17          1HD1      ILE  17  10.735  -6.324  -2.226
  144   HD12  ILE  17          2HD1      ILE  17  11.727  -4.882  -2.015
  145   HD13  ILE  17          3HD1      ILE  17  12.111  -6.037  -3.290
  146    HA   PRO  18           HA       PRO  18   9.843   1.218  -1.403
  147    HB2  PRO  18           HB2      PRO  18  10.438   1.287   1.376
  148    HB3  PRO  18           HB1      PRO  18   8.838   1.344   0.635
  149    HG2  PRO  18           HG2      PRO  18   9.795  -0.739   2.199
  150    HG3  PRO  18           HG1      PRO  18   8.453  -0.873   1.049
  151    HD2  PRO  18           HD2      PRO  18  11.318  -1.484   0.644
  152    HD3  PRO  18           HD1      PRO  18   9.937  -2.472   0.182
  153    H    LYS  19           HN       LYS  19  11.285   2.865  -0.202
  154    HA   LYS  19           HA       LYS  19  13.888   2.690  -1.259
  155    HB2  LYS  19           HB2      LYS  19  14.306   4.817  -0.086
  156    HB3  LYS  19           HB1      LYS  19  12.795   4.840  -0.985
  157    HG2  LYS  19           HG2      LYS  19  11.643   5.324   0.842
  158    HG3  LYS  19           HG1      LYS  19  12.325   3.942   1.699
  159    HD2  LYS  19           HD2      LYS  19  14.258   6.081   1.432
  160    HD3  LYS  19           HD1      LYS  19  12.785   6.640   2.226
  161    HE2  LYS  19           HE2      LYS  19  13.454   5.684   4.114
  162    HE3  LYS  19           HE1      LYS  19  13.427   4.110   3.320
  163    HZ1  LYS  19           HZ1      LYS  19  15.696   4.437   2.620
  164    HZ2  LYS  19           HZ2      LYS  19  15.593   4.630   4.297
  165    HZ3  LYS  19           HZ3      LYS  19  15.728   5.988   3.297
  166    H    VAL  20           HN       VAL  20  12.545   1.913   1.856
  167    HA   VAL  20           HA       VAL  20  13.423   0.922   3.708
  168    HB   VAL  20           HB       VAL  20  15.852   0.290   2.035
  169   HG11  VAL  20          1HG1      VAL  20  16.468  -1.144   3.656
  170   HG12  VAL  20          2HG1      VAL  20  14.808  -1.623   4.009
  171   HG13  VAL  20          3HG1      VAL  20  15.454  -0.124   4.678
  172   HG21  VAL  20          1HG2      VAL  20  14.304  -0.659   0.666
  173   HG22  VAL  20          2HG2      VAL  20  13.101  -0.812   1.946
  174   HG23  VAL  20          3HG2      VAL  20  14.437  -1.959   1.849
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -15.280  -2.191   2.402
    2    H2   GLY   1           HT2      GLY   1 -15.647  -3.477   1.366
    3    H3   GLY   1           HT3      GLY   1 -16.126  -1.905   0.964
    4    HA2  GLY   1           HA1      GLY   1 -13.703  -1.287   0.942
    5    HA3  GLY   1           HA2      GLY   1 -13.379  -3.013   1.014
    6    H    LEU   2           HN       LEU   2 -13.221  -0.646  -1.055
    7    HA   LEU   2           HA       LEU   2 -13.066  -2.050  -3.380
    8    HB2  LEU   2           HB2      LEU   2 -15.795  -1.899  -2.639
    9    HB3  LEU   2           HB1      LEU   2 -15.587  -0.781  -3.970
   10    HG   LEU   2           HG       LEU   2 -16.290  -2.992  -4.749
   11   HD11  LEU   2          1HD1      LEU   2 -15.024  -2.895  -6.612
   12   HD12  LEU   2          2HD1      LEU   2 -13.505  -2.899  -5.715
   13   HD13  LEU   2          3HD1      LEU   2 -14.435  -1.408  -5.869
   14   HD21  LEU   2          1HD2      LEU   2 -13.845  -3.864  -3.261
   15   HD22  LEU   2          2HD2      LEU   2 -14.420  -4.785  -4.651
   16   HD23  LEU   2          3HD2      LEU   2 -15.468  -4.554  -3.251
   17    H    GLY   3           HN       GLY   3 -11.429  -0.363  -3.146
   18    HA2  GLY   3           HA2      GLY   3 -10.632   1.477  -4.432
   19    HA3  GLY   3           HA1      GLY   3 -12.280   2.086  -4.526
   20    H    SER   4           HN       SER   4 -12.729   1.599  -1.656
   21    HA   SER   4           HA       SER   4 -11.633   4.093  -0.669
   22    HB2  SER   4           HB2      SER   4 -13.175   2.309   1.141
   23    HB3  SER   4           HB1      SER   4 -13.312   4.050   0.891
   24    HG   SER   4           HG       SER   4 -15.068   3.394  -0.120
   25    H    VAL   5           HN       VAL   5 -11.182   0.695  -0.370
   26    HA   VAL   5           HA       VAL   5  -9.571   0.688   1.994
   27    HB   VAL   5           HB       VAL   5  -9.486  -1.333  -0.197
   28   HG11  VAL   5          1HG1      VAL   5  -8.033  -1.243   2.030
   29   HG12  VAL   5          2HG1      VAL   5  -8.570  -2.765   1.320
   30   HG13  VAL   5          3HG1      VAL   5  -9.453  -2.064   2.676
   31   HG21  VAL   5          1HG2      VAL   5 -11.745  -0.657   1.539
   32   HG22  VAL   5          2HG2      VAL   5 -11.318  -2.369   1.541
   33   HG23  VAL   5          3HG2      VAL   5 -11.710  -1.559   0.024
   34    H    PHE   6           HN       PHE   6  -9.118   1.346  -1.337
   35    HA   PHE   6           HA       PHE   6  -6.592   0.667  -1.998
   36    HB2  PHE   6           HB2      PHE   6  -6.794   2.204  -3.666
   37    HB3  PHE   6           HB1      PHE   6  -8.447   2.308  -3.065
   38    HD1  PHE   6           HD1      PHE   6  -5.509   4.119  -3.829
   39    HD2  PHE   6           HD2      PHE   6  -8.889   4.097  -1.243
   40    HE1  PHE   6           HE1      PHE   6  -5.198   6.523  -3.407
   41    HE2  PHE   6           HE2      PHE   6  -8.585   6.502  -0.819
   42    HZ   PHE   6           HZ       PHE   6  -6.737   7.718  -1.901
   43    H    GLY   7           HN       GLY   7  -7.534   2.875   0.479
   44    HA2  GLY   7           HA2      GLY   7  -5.161   4.366   0.783
   45    HA3  GLY   7           HA1      GLY   7  -6.329   4.042   2.058
   46    H    ARG   8           HN       ARG   8  -6.130   1.216   2.026
   47    HA   ARG   8           HA       ARG   8  -3.742   0.897   3.602
   48    HB2  ARG   8           HB2      ARG   8  -6.181  -0.699   3.042
   49    HB3  ARG   8           HB1      ARG   8  -4.733  -1.606   3.458
   50    HG2  ARG   8           HG2      ARG   8  -5.585  -1.315   5.538
   51    HG3  ARG   8           HG1      ARG   8  -4.633   0.167   5.423
   52    HD2  ARG   8           HD2      ARG   8  -7.284   0.495   4.298
   53    HD3  ARG   8           HD1      ARG   8  -7.347  -0.032   5.979
   54    HE   ARG   8           HE       ARG   8  -5.550   1.978   6.049
   55   HH11  ARG   8          1HH1      ARG   8  -8.777   1.734   4.741
   56   HH12  ARG   8          2HH1      ARG   8  -9.142   3.407   4.998
   57   HH21  ARG   8          1HH2      ARG   8  -6.031   4.179   6.389
   58   HH22  ARG   8          2HH2      ARG   8  -7.584   4.795   5.934
   59    H    LEU   9           HN       LEU   9  -5.062  -0.673   0.667
   60    HA   LEU   9           HA       LEU   9  -2.827  -2.220   0.052
   61    HB2  LEU   9           HB2      LEU   9  -4.910  -0.953  -1.716
   62    HB3  LEU   9           HB1      LEU   9  -3.651  -1.996  -2.351
   63    HG   LEU   9           HG       LEU   9  -4.632  -3.612  -0.434
   64   HD11  LEU   9          1HD1      LEU   9  -6.783  -1.666  -1.118
   65   HD12  LEU   9          2HD1      LEU   9  -6.401  -2.430   0.425
   66   HD13  LEU   9          3HD1      LEU   9  -7.202  -3.357  -0.844
   67   HD21  LEU   9          1HD2      LEU   9  -4.439  -3.715  -3.089
   68   HD22  LEU   9          2HD2      LEU   9  -6.191  -3.565  -2.954
   69   HD23  LEU   9          3HD2      LEU   9  -5.356  -4.900  -2.160
   70    H    ALA  10           HN       ALA  10  -3.313   1.177  -0.186
   71    HA   ALA  10           HA       ALA  10  -1.450   1.835  -2.177
   72    HB1  ALA  10           HB1      ALA  10  -2.626   3.342   0.127
   73    HB2  ALA  10           HB2      ALA  10  -2.923   3.539  -1.600
   74    HB3  ALA  10           HB3      ALA  10  -1.392   4.068  -0.903
   75    H    ARG  11           HN       ARG  11  -1.021   0.754   1.052
   76    HA   ARG  11           HA       ARG  11   1.661   1.791   1.277
   77    HB2  ARG  11           HB2      ARG  11   1.627   1.129   3.517
   78    HB3  ARG  11           HB1      ARG  11  -0.011   1.670   3.196
   79    HG2  ARG  11           HG2      ARG  11  -0.282  -0.953   2.668
   80    HG3  ARG  11           HG1      ARG  11   1.005  -1.011   3.872
   81    HD2  ARG  11           HD2      ARG  11  -1.835  -0.300   4.158
   82    HD3  ARG  11           HD1      ARG  11  -0.729  -1.025   5.318
   83    HE   ARG  11           HE       ARG  11  -1.138   1.832   4.838
   84   HH11  ARG  11          1HH1      ARG  11   0.525  -0.683   6.608
   85   HH12  ARG  11          2HH1      ARG  11   1.034   0.380   7.875
   86   HH21  ARG  11          1HH2      ARG  11  -0.468   3.222   6.506
   87   HH22  ARG  11          2HH2      ARG  11   0.472   2.594   7.818
   88    H    ILE  12           HN       ILE  12   0.048  -1.358   0.892
   89    HA   ILE  12           HA       ILE  12   2.263  -2.993   1.204
   90    HB   ILE  12           HB       ILE  12   1.179  -4.630  -0.232
   91   HG12  ILE  12          2HG1      ILE  12  -1.284  -3.101  -0.650
   92   HG13  ILE  12          1HG1      ILE  12   0.083  -2.479  -1.561
   93   HG21  ILE  12          1HG2      ILE  12  -1.162  -4.433   1.038
   94   HG22  ILE  12          2HG2      ILE  12  -0.239  -3.248   1.962
   95   HG23  ILE  12          3HG2      ILE  12   0.328  -4.914   1.848
   96   HD11  ILE  12          1HD1      ILE  12  -1.505  -4.854  -1.990
   97   HD12  ILE  12          2HD1      ILE  12   0.226  -5.195  -1.971
   98   HD13  ILE  12          3HD1      ILE  12  -0.425  -3.998  -3.090
   99    H    LEU  13           HN       LEU  13   1.271  -1.097  -1.581
  100    HA   LEU  13           HA       LEU  13   3.177  -2.183  -3.389
  101    HB2  LEU  13           HB2      LEU  13   2.827  -0.044  -4.654
  102    HB3  LEU  13           HB1      LEU  13   1.367  -0.960  -4.334
  103    HG   LEU  13           HG       LEU  13   1.421   0.725  -2.190
  104   HD11  LEU  13          1HD1      LEU  13   1.724   2.970  -3.624
  105   HD12  LEU  13          2HD1      LEU  13   2.957   1.964  -4.385
  106   HD13  LEU  13          3HD1      LEU  13   3.012   2.263  -2.648
  107   HD21  LEU  13          1HD2      LEU  13  -0.194   2.105  -3.678
  108   HD22  LEU  13          2HD2      LEU  13  -0.589   0.429  -3.296
  109   HD23  LEU  13          3HD2      LEU  13   0.098   0.836  -4.868
  110    H    GLY  14           HN       GLY  14   3.240   0.040  -0.769
  111    HA2  GLY  14           HA2      GLY  14   5.886   1.062  -1.495
  112    HA3  GLY  14           HA1      GLY  14   4.905   1.579  -0.128
  113    H    ARG  15           HN       ARG  15   4.445  -1.422   0.417
  114    HA   ARG  15           HA       ARG  15   6.896  -1.781   2.003
  115    HB2  ARG  15           HB2      ARG  15   4.090  -2.825   2.286
  116    HB3  ARG  15           HB1      ARG  15   5.432  -3.562   3.153
  117    HG2  ARG  15           HG2      ARG  15   4.637  -2.071   4.705
  118    HG3  ARG  15           HG1      ARG  15   5.911  -1.127   3.930
  119    HD2  ARG  15           HD2      ARG  15   4.365   0.106   2.654
  120    HD3  ARG  15           HD1      ARG  15   3.059  -1.026   3.001
  121    HE   ARG  15           HE       ARG  15   2.626   0.143   4.910
  122   HH11  ARG  15          1HH1      ARG  15   5.890   0.852   3.907
  123   HH12  ARG  15          2HH1      ARG  15   6.141   2.052   5.129
  124   HH21  ARG  15          1HH2      ARG  15   2.949   1.720   6.523
  125   HH22  ARG  15          2HH2      ARG  15   4.468   2.548   6.617
  126    H    VAL  16           HN       VAL  16   6.638  -2.406  -0.859
  127    HA   VAL  16           HA       VAL  16   7.094  -5.320  -0.766
  128    HB   VAL  16           HB       VAL  16   5.214  -4.808  -2.237
  129   HG11  VAL  16          1HG1      VAL  16   7.052  -3.192  -3.976
  130   HG12  VAL  16          2HG1      VAL  16   6.048  -2.458  -2.727
  131   HG13  VAL  16          3HG1      VAL  16   5.296  -3.335  -4.058
  132   HG21  VAL  16          1HG2      VAL  16   7.770  -5.790  -3.419
  133   HG22  VAL  16          2HG2      VAL  16   6.359  -5.600  -4.459
  134   HG23  VAL  16          3HG2      VAL  16   6.283  -6.666  -3.057
  135    H    ILE  17           HN       ILE  17   7.971  -2.299  -2.298
  136    HA   ILE  17           HA       ILE  17  10.754  -2.942  -1.983
  137    HB   ILE  17           HB       ILE  17   9.669  -2.239  -4.727
  138   HG12  ILE  17          2HG1      ILE  17   9.212  -4.600  -4.075
  139   HG13  ILE  17          1HG1      ILE  17  10.316  -4.460  -5.437
  140   HG21  ILE  17          1HG2      ILE  17  11.932  -2.413  -5.495
  141   HG22  ILE  17          2HG2      ILE  17  12.480  -2.948  -3.906
  142   HG23  ILE  17          3HG2      ILE  17  11.891  -1.300  -4.128
  143   HD11  ILE  17          1HD1      ILE  17  11.981  -5.454  -4.336
  144   HD12  ILE  17          2HD1      ILE  17  10.711  -6.021  -3.251
  145   HD13  ILE  17          3HD1      ILE  17  11.645  -4.582  -2.840
  146    HA   PRO  18           HA       PRO  18   9.692   1.378  -1.300
  147    HB2  PRO  18           HB2      PRO  18  10.601   1.149   1.386
  148    HB3  PRO  18           HB1      PRO  18   8.925   1.222   0.838
  149    HG2  PRO  18           HG2      PRO  18  10.116  -0.985   2.023
  150    HG3  PRO  18           HG1      PRO  18   8.664  -1.047   1.010
  151    HD2  PRO  18           HD2      PRO  18  11.486  -1.464   0.240
  152    HD3  PRO  18           HD1      PRO  18  10.103  -2.460  -0.191
  153    H    LYS  19           HN       LYS  19  11.212   2.946  -0.070
  154    HA   LYS  19           HA       LYS  19  13.664   3.041  -1.432
  155    HB2  LYS  19           HB2      LYS  19  14.173   4.980   0.035
  156    HB3  LYS  19           HB1      LYS  19  12.599   5.086  -0.741
  157    HG2  LYS  19           HG2      LYS  19  11.456   4.654   1.247
  158    HG3  LYS  19           HG1      LYS  19  12.895   4.011   2.041
  159    HD2  LYS  19           HD2      LYS  19  13.730   6.514   1.457
  160    HD3  LYS  19           HD1      LYS  19  12.004   6.799   1.689
  161    HE2  LYS  19           HE2      LYS  19  12.393   6.847   3.877
  162    HE3  LYS  19           HE1      LYS  19  12.740   5.121   3.788
  163    HZ1  LYS  19           HZ1      LYS  19  15.001   5.491   3.737
  164    HZ2  LYS  19           HZ2      LYS  19  14.484   6.708   4.792
  165    HZ3  LYS  19           HZ3      LYS  19  14.853   7.084   3.184
  166    H    VAL  20           HN       VAL  20  12.748   1.606   1.567
  167    HA   VAL  20           HA       VAL  20  13.890   0.314   3.055
  168    HB   VAL  20           HB       VAL  20  16.371   0.470   1.374
  169   HG11  VAL  20          1HG1      VAL  20  16.743  -0.765   3.312
  170   HG12  VAL  20          2HG1      VAL  20  16.385  -1.997   2.102
  171   HG13  VAL  20          3HG1      VAL  20  15.146  -1.511   3.259
  172   HG21  VAL  20          1HG2      VAL  20  15.118  -0.143  -0.402
  173   HG22  VAL  20          2HG2      VAL  20  13.766  -0.674   0.600
  174   HG23  VAL  20          3HG2      VAL  20  15.163  -1.728   0.371
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -15.349  -0.833   0.350
    2    H2   GLY   1           HT2      GLY   1 -15.705  -1.755   1.723
    3    H3   GLY   1           HT3      GLY   1 -16.148  -2.316   0.190
    4    HA2  GLY   1           HA1      GLY   1 -13.363  -1.933   1.143
    5    HA3  GLY   1           HA2      GLY   1 -14.189  -3.480   1.032
    6    H    LEU   2           HN       LEU   2 -13.135  -0.699  -0.893
    7    HA   LEU   2           HA       LEU   2 -12.112  -2.397  -2.957
    8    HB2  LEU   2           HB2      LEU   2 -14.658  -0.862  -3.386
    9    HB3  LEU   2           HB1      LEU   2 -13.569  -1.174  -4.723
   10    HG   LEU   2           HG       LEU   2 -15.046  -3.212  -3.063
   11   HD11  LEU   2          1HD1      LEU   2 -16.454  -3.451  -4.796
   12   HD12  LEU   2          2HD1      LEU   2 -15.191  -3.191  -5.998
   13   HD13  LEU   2          3HD1      LEU   2 -15.935  -1.812  -5.188
   14   HD21  LEU   2          1HD2      LEU   2 -12.902  -4.160  -3.445
   15   HD22  LEU   2          2HD2      LEU   2 -12.871  -3.582  -5.111
   16   HD23  LEU   2          3HD2      LEU   2 -13.990  -4.861  -4.642
   17    H    GLY   3           HN       GLY   3 -13.500   0.871  -3.095
   18    HA2  GLY   3           HA2      GLY   3 -10.922   1.910  -3.971
   19    HA3  GLY   3           HA1      GLY   3 -12.450   2.779  -3.969
   20    H    SER   4           HN       SER   4 -12.747   1.690  -1.086
   21    HA   SER   4           HA       SER   4 -11.554   4.005   0.180
   22    HB2  SER   4           HB2      SER   4 -12.656   2.468   2.205
   23    HB3  SER   4           HB1      SER   4 -13.477   3.767   1.341
   24    HG   SER   4           HG       SER   4 -14.355   2.247  -0.051
   25    H    VAL   5           HN       VAL   5 -11.035   0.615  -0.134
   26    HA   VAL   5           HA       VAL   5  -9.175   0.289   2.018
   27    HB   VAL   5           HB       VAL   5  -9.357  -1.363  -0.461
   28   HG11  VAL   5          1HG1      VAL   5  -7.611  -1.562   1.565
   29   HG12  VAL   5          2HG1      VAL   5  -8.169  -2.952   0.635
   30   HG13  VAL   5          3HG1      VAL   5  -8.907  -2.580   2.192
   31   HG21  VAL   5          1HG2      VAL   5 -11.459  -0.892   1.377
   32   HG22  VAL   5          2HG2      VAL   5 -10.887  -2.540   1.636
   33   HG23  VAL   5          3HG2      VAL   5 -11.419  -2.033   0.034
   34    H    PHE   6           HN       PHE   6  -9.089   1.336  -1.273
   35    HA   PHE   6           HA       PHE   6  -6.598   0.858  -2.204
   36    HB2  PHE   6           HB2      PHE   6  -7.041   2.499  -3.713
   37    HB3  PHE   6           HB1      PHE   6  -8.626   2.496  -2.945
   38    HD1  PHE   6           HD1      PHE   6  -6.020   4.530  -4.010
   39    HD2  PHE   6           HD2      PHE   6  -8.741   4.047  -0.774
   40    HE1  PHE   6           HE1      PHE   6  -5.728   6.901  -3.415
   41    HE2  PHE   6           HE2      PHE   6  -8.456   6.416  -0.175
   42    HZ   PHE   6           HZ       PHE   6  -6.948   7.846  -1.496
   43    H    GLY   7           HN       GLY   7  -7.439   2.796   0.522
   44    HA2  GLY   7           HA2      GLY   7  -5.067   4.341   0.738
   45    HA3  GLY   7           HA1      GLY   7  -6.176   3.967   2.053
   46    H    ARG   8           HN       ARG   8  -5.992   1.171   1.976
   47    HA   ARG   8           HA       ARG   8  -3.528   0.796   3.407
   48    HB2  ARG   8           HB2      ARG   8  -5.945  -0.875   2.838
   49    HB3  ARG   8           HB1      ARG   8  -4.476  -1.661   3.398
   50    HG2  ARG   8           HG2      ARG   8  -5.242  -1.250   5.447
   51    HG3  ARG   8           HG1      ARG   8  -4.734   0.416   5.161
   52    HD2  ARG   8           HD2      ARG   8  -7.134   0.508   3.999
   53    HD3  ARG   8           HD1      ARG   8  -7.448  -0.776   5.166
   54    HE   ARG   8           HE       ARG   8  -6.196   1.544   6.308
   55   HH11  ARG   8          1HH1      ARG   8  -9.236   0.080   5.420
   56   HH12  ARG   8          2HH1      ARG   8 -10.157   1.001   6.560
   57   HH21  ARG   8          1HH2      ARG   8  -7.403   2.757   7.809
   58   HH22  ARG   8          2HH2      ARG   8  -9.116   2.523   7.918
   59    H    LEU   9           HN       LEU   9  -4.968  -0.470   0.407
   60    HA   LEU   9           HA       LEU   9  -2.919  -2.208  -0.323
   61    HB2  LEU   9           HB2      LEU   9  -5.012  -0.701  -1.815
   62    HB3  LEU   9           HB1      LEU   9  -3.730  -1.465  -2.736
   63    HG   LEU   9           HG       LEU   9  -4.479  -3.531  -1.150
   64   HD11  LEU   9          1HD1      LEU   9  -6.881  -1.771  -1.531
   65   HD12  LEU   9          2HD1      LEU   9  -6.294  -2.530  -0.052
   66   HD13  LEU   9          3HD1      LEU   9  -7.018  -3.517  -1.321
   67   HD21  LEU   9          1HD2      LEU   9  -4.288  -3.201  -3.726
   68   HD22  LEU   9          2HD2      LEU   9  -6.037  -2.996  -3.641
   69   HD23  LEU   9          3HD2      LEU   9  -5.297  -4.495  -3.080
   70    H    ALA  10           HN       ALA  10  -3.404   1.109  -1.540
   71    HA   ALA  10           HA       ALA  10  -1.148   1.479  -3.016
   72    HB1  ALA  10           HB1      ALA  10  -2.075   3.644  -1.169
   73    HB2  ALA  10           HB2      ALA  10  -3.073   3.099  -2.517
   74    HB3  ALA  10           HB3      ALA  10  -1.472   3.772  -2.821
   75    H    ARG  11           HN       ARG  11  -1.286   1.104   0.405
   76    HA   ARG  11           HA       ARG  11   1.348   2.194   0.848
   77    HB2  ARG  11           HB2      ARG  11  -0.142   2.686   2.594
   78    HB3  ARG  11           HB1      ARG  11  -0.808   1.062   2.609
   79    HG2  ARG  11           HG2      ARG  11   1.976   0.928   3.229
   80    HG3  ARG  11           HG1      ARG  11   1.207   2.143   4.249
   81    HD2  ARG  11           HD2      ARG  11   0.701   0.363   5.535
   82    HD3  ARG  11           HD1      ARG  11  -0.630   0.187   4.392
   83    HE   ARG  11           HE       ARG  11   1.337  -1.256   3.246
   84   HH11  ARG  11          1HH1      ARG  11  -0.018  -1.245   6.462
   85   HH12  ARG  11          2HH1      ARG  11   0.284  -2.928   6.730
   86   HH21  ARG  11          1HH2      ARG  11   1.735  -3.471   3.597
   87   HH22  ARG  11          2HH2      ARG  11   1.279  -4.192   5.104
   88    H    ILE  12           HN       ILE  12  -0.282  -0.989   1.007
   89    HA   ILE  12           HA       ILE  12   1.955  -2.445   1.836
   90    HB   ILE  12           HB       ILE  12   0.929  -4.435   1.039
   91   HG12  ILE  12          2HG1      ILE  12  -1.496  -3.546  -0.152
   92   HG13  ILE  12          1HG1      ILE  12  -0.173  -2.753  -0.992
   93   HG21  ILE  12          1HG2      ILE  12  -1.582  -3.738   1.828
   94   HG22  ILE  12          2HG2      ILE  12  -0.616  -2.416   2.486
   95   HG23  ILE  12          3HG2      ILE  12  -0.238  -4.084   2.916
   96   HD11  ILE  12          1HD1      ILE  12   0.155  -4.594  -2.158
   97   HD12  ILE  12          2HD1      ILE  12  -1.107  -5.420  -1.244
   98   HD13  ILE  12          3HD1      ILE  12   0.560  -5.450  -0.670
   99    H    LEU  13           HN       LEU  13   1.009  -1.389  -1.376
  100    HA   LEU  13           HA       LEU  13   2.919  -2.911  -2.802
  101    HB2  LEU  13           HB2      LEU  13   2.755  -0.692  -4.344
  102    HB3  LEU  13           HB1      LEU  13   1.613  -2.018  -4.406
  103    HG   LEU  13           HG       LEU  13   0.932   0.035  -2.425
  104   HD11  LEU  13          1HD1      LEU  13   0.304   0.903  -5.167
  105   HD12  LEU  13          2HD1      LEU  13   1.983   1.105  -4.669
  106   HD13  LEU  13          3HD1      LEU  13   0.689   1.853  -3.733
  107   HD21  LEU  13          1HD2      LEU  13  -1.279  -0.259  -3.465
  108   HD22  LEU  13          2HD2      LEU  13  -0.556  -1.805  -3.026
  109   HD23  LEU  13          3HD2      LEU  13  -0.553  -1.276  -4.707
  110    H    GLY  14           HN       GLY  14   2.993   0.125  -1.065
  111    HA2  GLY  14           HA2      GLY  14   5.641   0.861  -1.891
  112    HA3  GLY  14           HA1      GLY  14   4.763   1.509  -0.509
  113    H    ARG  15           HN       ARG  15   4.361  -1.459   0.237
  114    HA   ARG  15           HA       ARG  15   6.847  -1.712   1.779
  115    HB2  ARG  15           HB2      ARG  15   4.045  -2.709   2.178
  116    HB3  ARG  15           HB1      ARG  15   5.388  -3.487   3.005
  117    HG2  ARG  15           HG2      ARG  15   4.550  -1.917   4.526
  118    HG3  ARG  15           HG1      ARG  15   6.007  -1.179   3.857
  119    HD2  ARG  15           HD2      ARG  15   4.511  -0.003   2.204
  120    HD3  ARG  15           HD1      ARG  15   3.143  -0.577   3.153
  121    HE   ARG  15           HE       ARG  15   4.852   1.612   3.770
  122   HH11  ARG  15          1HH1      ARG  15   2.992  -0.948   5.240
  123   HH12  ARG  15          2HH1      ARG  15   2.757  -0.094   6.727
  124   HH21  ARG  15          1HH2      ARG  15   4.544   2.738   5.723
  125   HH22  ARG  15          2HH2      ARG  15   3.638   2.001   7.001
  126    H    VAL  16           HN       VAL  16   6.589  -2.444  -1.033
  127    HA   VAL  16           HA       VAL  16   7.031  -5.353  -0.864
  128    HB   VAL  16           HB       VAL  16   5.156  -4.351  -2.438
  129   HG11  VAL  16          1HG1      VAL  16   5.920  -3.951  -4.718
  130   HG12  VAL  16          2HG1      VAL  16   7.596  -4.076  -4.188
  131   HG13  VAL  16          3HG1      VAL  16   6.585  -2.754  -3.610
  132   HG21  VAL  16          1HG2      VAL  16   7.095  -6.439  -3.417
  133   HG22  VAL  16          2HG2      VAL  16   5.413  -6.253  -3.915
  134   HG23  VAL  16          3HG2      VAL  16   5.796  -6.710  -2.255
  135    H    ILE  17           HN       ILE  17   7.957  -2.345  -2.387
  136    HA   ILE  17           HA       ILE  17  10.720  -2.994  -1.975
  137    HB   ILE  17           HB       ILE  17   9.709  -2.396  -4.770
  138   HG12  ILE  17          2HG1      ILE  17   9.435  -4.759  -4.089
  139   HG13  ILE  17          1HG1      ILE  17  10.628  -4.576  -5.370
  140   HG21  ILE  17          1HG2      ILE  17  11.689  -1.312  -4.874
  141   HG22  ILE  17          2HG2      ILE  17  12.321  -2.944  -5.093
  142   HG23  ILE  17          3HG2      ILE  17  12.364  -2.188  -3.500
  143   HD11  ILE  17          1HD1      ILE  17  10.943  -5.929  -2.976
  144   HD12  ILE  17          2HD1      ILE  17  11.858  -4.436  -2.767
  145   HD13  ILE  17          3HD1      ILE  17  12.208  -5.502  -4.128
  146    HA   PRO  18           HA       PRO  18   9.650   1.338  -1.371
  147    HB2  PRO  18           HB2      PRO  18  10.400   1.127   1.361
  148    HB3  PRO  18           HB1      PRO  18   8.757   1.186   0.721
  149    HG2  PRO  18           HG2      PRO  18   9.902  -1.005   1.984
  150    HG3  PRO  18           HG1      PRO  18   8.493  -1.077   0.913
  151    HD2  PRO  18           HD2      PRO  18  11.344  -1.512   0.269
  152    HD3  PRO  18           HD1      PRO  18   9.974  -2.499  -0.223
  153    H    LYS  19           HN       LYS  19  11.110   2.899  -0.063
  154    HA   LYS  19           HA       LYS  19  13.681   2.867  -1.249
  155    HB2  LYS  19           HB2      LYS  19  14.060   4.971  -0.142
  156    HB3  LYS  19           HB1      LYS  19  12.412   4.947  -0.752
  157    HG2  LYS  19           HG2      LYS  19  11.651   5.424   1.266
  158    HG3  LYS  19           HG1      LYS  19  12.364   3.938   1.896
  159    HD2  LYS  19           HD2      LYS  19  14.482   5.768   1.587
  160    HD3  LYS  19           HD1      LYS  19  13.158   6.663   2.332
  161    HE2  LYS  19           HE2      LYS  19  13.436   5.620   4.284
  162    HE3  LYS  19           HE1      LYS  19  13.489   4.036   3.513
  163    HZ1  LYS  19           HZ1      LYS  19  15.826   4.440   2.975
  164    HZ2  LYS  19           HZ2      LYS  19  15.554   4.489   4.644
  165    HZ3  LYS  19           HZ3      LYS  19  15.763   5.928   3.779
  166    H    VAL  20           HN       VAL  20  12.435   1.906   1.857
  167    HA   VAL  20           HA       VAL  20  13.380   0.886   3.659
  168    HB   VAL  20           HB       VAL  20  15.693   0.222   1.841
  169   HG11  VAL  20          1HG1      VAL  20  16.235  -0.399   4.033
  170   HG12  VAL  20          2HG1      VAL  20  15.629  -1.881   3.293
  171   HG13  VAL  20          3HG1      VAL  20  14.595  -0.949   4.377
  172   HG21  VAL  20          1HG2      VAL  20  14.118  -0.712   0.526
  173   HG22  VAL  20          2HG2      VAL  20  12.900  -0.705   1.802
  174   HG23  VAL  20          3HG2      VAL  20  14.120  -1.977   1.755
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -14.262  -3.521   1.824
    2    H2   GLY   1           HT2      GLY   1 -12.891  -3.411   0.841
    3    H3   GLY   1           HT3      GLY   1 -14.394  -3.775   0.157
    4    HA2  GLY   1           HA1      GLY   1 -15.087  -1.505   1.203
    5    HA3  GLY   1           HA2      GLY   1 -13.359  -1.204   1.122
    6    H    LEU   2           HN       LEU   2 -12.455  -2.057  -1.154
    7    HA   LEU   2           HA       LEU   2 -12.394  -1.799  -3.421
    8    HB2  LEU   2           HB2      LEU   2 -15.144  -2.339  -2.894
    9    HB3  LEU   2           HB1      LEU   2 -15.067  -1.056  -4.085
   10    HG   LEU   2           HG       LEU   2 -15.207  -3.134  -5.252
   11   HD11  LEU   2          1HD1      LEU   2 -13.416  -2.921  -6.711
   12   HD12  LEU   2          2HD1      LEU   2 -12.292  -2.482  -5.425
   13   HD13  LEU   2          3HD1      LEU   2 -13.512  -1.327  -5.962
   14   HD21  LEU   2          1HD2      LEU   2 -14.035  -4.276  -3.116
   15   HD22  LEU   2          2HD2      LEU   2 -12.670  -4.234  -4.232
   16   HD23  LEU   2          3HD2      LEU   2 -14.162  -5.053  -4.695
   17    H    GLY   3           HN       GLY   3 -11.174   0.088  -3.039
   18    HA2  GLY   3           HA2      GLY   3 -10.880   2.262  -3.986
   19    HA3  GLY   3           HA1      GLY   3 -12.605   2.543  -3.791
   20    H    SER   4           HN       SER   4 -12.718   1.534  -1.088
   21    HA   SER   4           HA       SER   4 -11.817   3.920   0.288
   22    HB2  SER   4           HB2      SER   4 -13.218   1.508   1.468
   23    HB3  SER   4           HB1      SER   4 -13.107   3.125   2.163
   24    HG   SER   4           HG       SER   4 -14.361   2.583  -0.320
   25    H    VAL   5           HN       VAL   5 -11.092   0.535   0.072
   26    HA   VAL   5           HA       VAL   5  -9.182   0.484   2.227
   27    HB   VAL   5           HB       VAL   5  -9.406  -1.481  -0.004
   28   HG11  VAL   5          1HG1      VAL   5  -8.114  -1.397   2.627
   29   HG12  VAL   5          2HG1      VAL   5  -7.696  -2.327   1.188
   30   HG13  VAL   5          3HG1      VAL   5  -8.960  -2.903   2.274
   31   HG21  VAL   5          1HG2      VAL   5 -11.510  -0.779   1.740
   32   HG22  VAL   5          2HG2      VAL   5 -10.910  -2.349   2.272
   33   HG23  VAL   5          3HG2      VAL   5 -11.446  -2.128   0.606
   34    H    PHE   6           HN       PHE   6  -9.215   1.124  -1.174
   35    HA   PHE   6           HA       PHE   6  -6.754   0.527  -2.117
   36    HB2  PHE   6           HB2      PHE   6  -7.253   1.947  -3.809
   37    HB3  PHE   6           HB1      PHE   6  -8.798   2.105  -2.982
   38    HD1  PHE   6           HD1      PHE   6  -8.659   3.922  -0.968
   39    HD2  PHE   6           HD2      PHE   6  -6.292   3.904  -4.504
   40    HE1  PHE   6           HE1      PHE   6  -8.280   6.339  -0.720
   41    HE2  PHE   6           HE2      PHE   6  -5.908   6.322  -4.264
   42    HZ   PHE   6           HZ       PHE   6  -6.902   7.543  -2.369
   43    H    GLY   7           HN       GLY   7  -7.505   2.782   0.380
   44    HA2  GLY   7           HA2      GLY   7  -5.140   4.341   0.341
   45    HA3  GLY   7           HA1      GLY   7  -6.186   4.097   1.735
   46    H    ARG   8           HN       ARG   8  -5.987   1.323   1.960
   47    HA   ARG   8           HA       ARG   8  -3.461   1.098   3.304
   48    HB2  ARG   8           HB2      ARG   8  -5.870  -0.652   2.980
   49    HB3  ARG   8           HB1      ARG   8  -4.369  -1.356   3.567
   50    HG2  ARG   8           HG2      ARG   8  -5.048  -0.749   5.593
   51    HG3  ARG   8           HG1      ARG   8  -4.636   0.899   5.116
   52    HD2  ARG   8           HD2      ARG   8  -7.259   0.097   4.163
   53    HD3  ARG   8           HD1      ARG   8  -7.124  -0.016   5.917
   54    HE   ARG   8           HE       ARG   8  -7.119   2.383   4.318
   55   HH11  ARG   8          1HH1      ARG   8  -6.246   0.966   7.386
   56   HH12  ARG   8          2HH1      ARG   8  -6.284   2.475   8.234
   57   HH21  ARG   8          1HH2      ARG   8  -7.171   4.368   5.435
   58   HH22  ARG   8          2HH2      ARG   8  -6.810   4.404   7.129
   59    H    LEU   9           HN       LEU   9  -4.998  -0.414   0.478
   60    HA   LEU   9           HA       LEU   9  -2.986  -2.214  -0.186
   61    HB2  LEU   9           HB2      LEU   9  -5.191  -0.881  -1.619
   62    HB3  LEU   9           HB1      LEU   9  -3.892  -1.477  -2.636
   63    HG   LEU   9           HG       LEU   9  -4.311  -3.662  -1.108
   64   HD11  LEU   9          1HD1      LEU   9  -7.126  -2.934  -1.581
   65   HD12  LEU   9          2HD1      LEU   9  -6.338  -2.134  -0.221
   66   HD13  LEU   9          3HD1      LEU   9  -6.398  -3.895  -0.294
   67   HD21  LEU   9          1HD2      LEU   9  -4.492  -3.066  -3.712
   68   HD22  LEU   9          2HD2      LEU   9  -6.196  -3.358  -3.363
   69   HD23  LEU   9          3HD2      LEU   9  -5.002  -4.615  -3.041
   70    H    ALA  10           HN       ALA  10  -3.438   1.089  -1.443
   71    HA   ALA  10           HA       ALA  10  -1.255   1.331  -3.077
   72    HB1  ALA  10           HB1      ALA  10  -2.563   3.369  -1.300
   73    HB2  ALA  10           HB2      ALA  10  -2.823   3.089  -3.022
   74    HB3  ALA  10           HB3      ALA  10  -1.300   3.778  -2.461
   75    H    ARG  11           HN       ARG  11  -1.231   1.059   0.355
   76    HA   ARG  11           HA       ARG  11   1.438   2.120   0.643
   77    HB2  ARG  11           HB2      ARG  11   0.020   2.679   2.438
   78    HB3  ARG  11           HB1      ARG  11  -0.628   1.052   2.548
   79    HG2  ARG  11           HG2      ARG  11   2.145   0.861   3.026
   80    HG3  ARG  11           HG1      ARG  11   1.547   2.226   3.966
   81    HD2  ARG  11           HD2      ARG  11   0.853   0.750   5.480
   82    HD3  ARG  11           HD1      ARG  11  -0.374   0.252   4.317
   83    HE   ARG  11           HE       ARG  11   1.713  -1.235   3.564
   84   HH11  ARG  11          1HH1      ARG  11   0.324  -0.654   6.714
   85   HH12  ARG  11          2HH1      ARG  11   0.792  -2.198   7.341
   86   HH21  ARG  11          1HH2      ARG  11   2.325  -3.267   4.389
   87   HH22  ARG  11          2HH2      ARG  11   1.926  -3.681   6.023
   88    H    ILE  12           HN       ILE  12  -0.220  -1.039   0.942
   89    HA   ILE  12           HA       ILE  12   1.975  -2.528   1.764
   90    HB   ILE  12           HB       ILE  12   0.955  -4.503   0.850
   91   HG12  ILE  12          2HG1      ILE  12  -1.471  -3.371  -0.239
   92   HG13  ILE  12          1HG1      ILE  12  -0.069  -2.790  -1.124
   93   HG21  ILE  12          1HG2      ILE  12  -1.508  -3.909   1.759
   94   HG22  ILE  12          2HG2      ILE  12  -0.600  -2.538   2.396
   95   HG23  ILE  12          3HG2      ILE  12  -0.116  -4.183   2.806
   96   HD11  ILE  12          1HD1      ILE  12   0.216  -4.740  -2.135
   97   HD12  ILE  12          2HD1      ILE  12  -1.382  -5.168  -1.525
   98   HD13  ILE  12          3HD1      ILE  12   0.061  -5.636  -0.625
   99    H    LEU  13           HN       LEU  13   1.126  -1.412  -1.447
  100    HA   LEU  13           HA       LEU  13   3.060  -2.939  -2.850
  101    HB2  LEU  13           HB2      LEU  13   2.930  -0.685  -4.358
  102    HB3  LEU  13           HB1      LEU  13   1.808  -2.023  -4.485
  103    HG   LEU  13           HG       LEU  13   1.062   0.008  -2.494
  104   HD11  LEU  13          1HD1      LEU  13   0.096   1.277  -4.653
  105   HD12  LEU  13          2HD1      LEU  13   1.644   0.728  -5.295
  106   HD13  LEU  13          3HD1      LEU  13   1.596   1.734  -3.847
  107   HD21  LEU  13          1HD2      LEU  13  -1.124  -0.415  -3.372
  108   HD22  LEU  13          2HD2      LEU  13  -0.300  -1.965  -3.233
  109   HD23  LEU  13          3HD2      LEU  13  -0.457  -1.189  -4.808
  110    H    GLY  14           HN       GLY  14   3.070   0.084  -1.089
  111    HA2  GLY  14           HA2      GLY  14   5.730   0.847  -1.831
  112    HA3  GLY  14           HA1      GLY  14   4.816   1.460  -0.455
  113    H    ARG  15           HN       ARG  15   4.418  -1.525   0.230
  114    HA   ARG  15           HA       ARG  15   6.880  -1.792   1.812
  115    HB2  ARG  15           HB2      ARG  15   4.082  -2.837   2.130
  116    HB3  ARG  15           HB1      ARG  15   5.420  -3.610   2.968
  117    HG2  ARG  15           HG2      ARG  15   4.401  -2.054   4.457
  118    HG3  ARG  15           HG1      ARG  15   5.976  -1.411   3.986
  119    HD2  ARG  15           HD2      ARG  15   4.913   0.056   2.366
  120    HD3  ARG  15           HD1      ARG  15   3.336  -0.620   2.766
  121    HE   ARG  15           HE       ARG  15   4.084   0.276   5.143
  122   HH11  ARG  15          1HH1      ARG  15   4.305   1.822   2.017
  123   HH12  ARG  15          2HH1      ARG  15   4.190   3.423   2.665
  124   HH21  ARG  15          1HH2      ARG  15   3.925   2.383   5.988
  125   HH22  ARG  15          2HH2      ARG  15   3.974   3.742   4.915
  126    H    VAL  16           HN       VAL  16   6.672  -2.471  -1.029
  127    HA   VAL  16           HA       VAL  16   7.152  -5.377  -0.901
  128    HB   VAL  16           HB       VAL  16   5.285  -4.358  -2.492
  129   HG11  VAL  16          1HG1      VAL  16   6.095  -3.972  -4.766
  130   HG12  VAL  16          2HG1      VAL  16   7.759  -4.082  -4.196
  131   HG13  VAL  16          3HG1      VAL  16   6.725  -2.765  -3.647
  132   HG21  VAL  16          1HG2      VAL  16   7.244  -6.472  -3.372
  133   HG22  VAL  16          2HG2      VAL  16   5.614  -6.253  -4.008
  134   HG23  VAL  16          3HG2      VAL  16   5.848  -6.712  -2.321
  135    H    ILE  17           HN       ILE  17   8.045  -2.334  -2.371
  136    HA   ILE  17           HA       ILE  17  10.813  -2.938  -1.934
  137    HB   ILE  17           HB       ILE  17   9.819  -2.325  -4.734
  138   HG12  ILE  17          2HG1      ILE  17   9.595  -4.704  -4.096
  139   HG13  ILE  17          1HG1      ILE  17  10.800  -4.470  -5.358
  140   HG21  ILE  17          1HG2      ILE  17  11.772  -1.196  -4.807
  141   HG22  ILE  17          2HG2      ILE  17  12.445  -2.810  -5.038
  142   HG23  ILE  17          3HG2      ILE  17  12.455  -2.072  -3.437
  143   HD11  ILE  17          1HD1      ILE  17  11.115  -5.867  -2.995
  144   HD12  ILE  17          2HD1      ILE  17  11.984  -4.355  -2.729
  145   HD13  ILE  17          3HD1      ILE  17  12.389  -5.374  -4.111
  146    HA   PRO  18           HA       PRO  18   9.658   1.368  -1.290
  147    HB2  PRO  18           HB2      PRO  18  10.403   1.153   1.441
  148    HB3  PRO  18           HB1      PRO  18   8.761   1.172   0.798
  149    HG2  PRO  18           HG2      PRO  18   9.974  -0.997   2.046
  150    HG3  PRO  18           HG1      PRO  18   8.553  -1.095   0.992
  151    HD2  PRO  18           HD2      PRO  18  11.405  -1.473   0.317
  152    HD3  PRO  18           HD1      PRO  18  10.045  -2.472  -0.178
  153    H    LYS  19           HN       LYS  19  11.094   2.946   0.022
  154    HA   LYS  19           HA       LYS  19  13.656   2.982  -1.167
  155    HB2  LYS  19           HB2      LYS  19  14.035   5.038   0.057
  156    HB3  LYS  19           HB1      LYS  19  12.407   5.038  -0.604
  157    HG2  LYS  19           HG2      LYS  19  11.499   5.263   1.407
  158    HG3  LYS  19           HG1      LYS  19  12.456   3.937   2.066
  159    HD2  LYS  19           HD2      LYS  19  14.072   6.297   1.598
  160    HD3  LYS  19           HD1      LYS  19  12.712   6.639   2.669
  161    HE2  LYS  19           HE2      LYS  19  14.070   5.862   4.279
  162    HE3  LYS  19           HE1      LYS  19  13.596   4.275   3.674
  163    HZ1  LYS  19           HZ1      LYS  19  15.996   5.785   2.787
  164    HZ2  LYS  19           HZ2      LYS  19  15.557   4.227   2.295
  165    HZ3  LYS  19           HZ3      LYS  19  16.008   4.512   3.901
  166    H    VAL  20           HN       VAL  20  12.460   1.921   1.928
  167    HA   VAL  20           HA       VAL  20  13.430   0.755   3.623
  168    HB   VAL  20           HB       VAL  20  15.803   0.437   1.781
  169   HG11  VAL  20          1HG1      VAL  20  16.525  -0.255   3.873
  170   HG12  VAL  20          2HG1      VAL  20  15.935  -1.754   3.154
  171   HG13  VAL  20          3HG1      VAL  20  14.940  -0.885   4.323
  172   HG21  VAL  20          1HG2      VAL  20  14.743  -1.181   0.631
  173   HG22  VAL  20          2HG2      VAL  20  13.282  -0.363   1.184
  174   HG23  VAL  20          3HG2      VAL  20  13.885  -1.773   2.054
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -15.853  -1.731   1.613
    2    H2   GLY   1           HT2      GLY   1 -14.864  -2.474   2.767
    3    H3   GLY   1           HT3      GLY   1 -15.566  -3.397   1.536
    4    HA2  GLY   1           HA1      GLY   1 -13.569  -1.243   1.112
    5    HA3  GLY   1           HA2      GLY   1 -13.191  -2.959   1.144
    6    H    LEU   2           HN       LEU   2 -13.146  -0.717  -0.956
    7    HA   LEU   2           HA       LEU   2 -13.326  -2.126  -3.262
    8    HB2  LEU   2           HB2      LEU   2 -15.961  -1.815  -2.247
    9    HB3  LEU   2           HB1      LEU   2 -15.826  -0.751  -3.628
   10    HG   LEU   2           HG       LEU   2 -16.719  -2.956  -4.238
   11   HD11  LEU   2          1HD1      LEU   2 -14.679  -3.464  -5.895
   12   HD12  LEU   2          2HD1      LEU   2 -14.227  -1.844  -5.363
   13   HD13  LEU   2          3HD1      LEU   2 -15.796  -2.117  -6.121
   14   HD21  LEU   2          1HD2      LEU   2 -14.192  -3.870  -2.951
   15   HD22  LEU   2          2HD2      LEU   2 -14.837  -4.784  -4.314
   16   HD23  LEU   2          3HD2      LEU   2 -15.815  -4.555  -2.865
   17    H    GLY   3           HN       GLY   3 -11.597  -0.465  -3.096
   18    HA2  GLY   3           HA2      GLY   3 -10.817   1.329  -4.456
   19    HA3  GLY   3           HA1      GLY   3 -12.456   1.969  -4.499
   20    H    SER   4           HN       SER   4 -12.771   1.521  -1.593
   21    HA   SER   4           HA       SER   4 -11.624   4.024  -0.695
   22    HB2  SER   4           HB2      SER   4 -13.096   2.250   1.191
   23    HB3  SER   4           HB1      SER   4 -13.213   3.995   0.966
   24    HG   SER   4           HG       SER   4 -14.420   1.929  -0.523
   25    H    VAL   5           HN       VAL   5 -11.126   0.639  -0.419
   26    HA   VAL   5           HA       VAL   5  -9.454   0.620   1.899
   27    HB   VAL   5           HB       VAL   5  -9.388  -1.352  -0.337
   28   HG11  VAL   5          1HG1      VAL   5  -7.744  -1.466   1.569
   29   HG12  VAL   5          2HG1      VAL   5  -8.695  -2.927   1.305
   30   HG13  VAL   5          3HG1      VAL   5  -9.110  -1.829   2.622
   31   HG21  VAL   5          1HG2      VAL   5 -11.631  -0.719   1.400
   32   HG22  VAL   5          2HG2      VAL   5 -11.155  -2.414   1.497
   33   HG23  VAL   5          3HG2      VAL   5 -11.578  -1.704  -0.061
   34    H    PHE   6           HN       PHE   6  -9.087   1.344  -1.429
   35    HA   PHE   6           HA       PHE   6  -6.557   0.730  -2.144
   36    HB2  PHE   6           HB2      PHE   6  -6.852   2.244  -3.806
   37    HB3  PHE   6           HB1      PHE   6  -8.480   2.349  -3.144
   38    HD1  PHE   6           HD1      PHE   6  -9.018   4.213  -1.546
   39    HD2  PHE   6           HD2      PHE   6  -5.414   4.099  -3.806
   40    HE1  PHE   6           HE1      PHE   6  -8.710   6.622  -1.165
   41    HE2  PHE   6           HE2      PHE   6  -5.098   6.510  -3.428
   42    HZ   PHE   6           HZ       PHE   6  -6.747   7.774  -2.106
   43    H    GLY   7           HN       GLY   7  -7.503   2.881   0.377
   44    HA2  GLY   7           HA2      GLY   7  -5.100   4.372   0.637
   45    HA3  GLY   7           HA1      GLY   7  -6.299   4.123   1.900
   46    H    ARG   8           HN       ARG   8  -6.209   1.328   2.034
   47    HA   ARG   8           HA       ARG   8  -3.914   0.962   3.694
   48    HB2  ARG   8           HB2      ARG   8  -6.313  -0.614   2.953
   49    HB3  ARG   8           HB1      ARG   8  -4.904  -1.541   3.449
   50    HG2  ARG   8           HG2      ARG   8  -5.832  -1.273   5.485
   51    HG3  ARG   8           HG1      ARG   8  -4.946   0.252   5.428
   52    HD2  ARG   8           HD2      ARG   8  -7.581   0.390   4.177
   53    HD3  ARG   8           HD1      ARG   8  -7.640  -0.027   5.889
   54    HE   ARG   8           HE       ARG   8  -6.951   2.505   4.755
   55   HH11  ARG   8          1HH1      ARG   8  -6.453   0.404   7.497
   56   HH12  ARG   8          2HH1      ARG   8  -6.025   1.696   8.567
   57   HH21  ARG   8          1HH2      ARG   8  -6.380   4.204   6.162
   58   HH22  ARG   8          2HH2      ARG   8  -5.983   3.850   7.811
   59    H    LEU   9           HN       LEU   9  -5.013  -0.599   0.673
   60    HA   LEU   9           HA       LEU   9  -2.747  -2.164   0.238
   61    HB2  LEU   9           HB2      LEU   9  -4.628  -0.896  -1.751
   62    HB3  LEU   9           HB1      LEU   9  -3.419  -2.093  -2.175
   63    HG   LEU   9           HG       LEU   9  -4.801  -3.333  -0.138
   64   HD11  LEU   9          1HD1      LEU   9  -6.697  -1.672  -1.777
   65   HD12  LEU   9          2HD1      LEU   9  -6.548  -1.740  -0.021
   66   HD13  LEU   9          3HD1      LEU   9  -7.189  -3.124  -0.906
   67   HD21  LEU   9          1HD2      LEU   9  -4.051  -3.954  -2.615
   68   HD22  LEU   9          2HD2      LEU   9  -5.774  -3.723  -2.910
   69   HD23  LEU   9          3HD2      LEU   9  -5.234  -4.907  -1.719
   70    H    ALA  10           HN       ALA  10  -3.347   1.209  -0.426
   71    HA   ALA  10           HA       ALA  10  -1.398   1.891  -2.226
   72    HB1  ALA  10           HB1      ALA  10  -2.484   3.374   0.144
   73    HB2  ALA  10           HB2      ALA  10  -2.887   3.570  -1.562
   74    HB3  ALA  10           HB3      ALA  10  -1.316   4.099  -0.961
   75    H    ARG  11           HN       ARG  11  -0.926   0.768   0.994
   76    HA   ARG  11           HA       ARG  11   1.758   1.796   1.181
   77    HB2  ARG  11           HB2      ARG  11   1.759   1.092   3.414
   78    HB3  ARG  11           HB1      ARG  11   0.109   1.621   3.133
   79    HG2  ARG  11           HG2      ARG  11  -0.292  -0.910   2.599
   80    HG3  ARG  11           HG1      ARG  11   1.176  -1.126   3.551
   81    HD2  ARG  11           HD2      ARG  11  -1.341   0.278   4.442
   82    HD3  ARG  11           HD1      ARG  11  -0.806  -1.322   4.953
   83    HE   ARG  11           HE       ARG  11   1.096   0.775   5.474
   84   HH11  ARG  11          1HH1      ARG  11  -1.675  -0.956   6.700
   85   HH12  ARG  11          2HH1      ARG  11  -1.329  -0.588   8.356
   86   HH21  ARG  11          1HH2      ARG  11   1.550   1.263   7.653
   87   HH22  ARG  11          2HH2      ARG  11   0.500   0.672   8.897
   88    H    ILE  12           HN       ILE  12   0.142  -1.369   0.833
   89    HA   ILE  12           HA       ILE  12   2.405  -2.966   1.029
   90    HB   ILE  12           HB       ILE  12   1.274  -4.625  -0.349
   91   HG12  ILE  12          2HG1      ILE  12  -1.188  -2.989  -0.584
   92   HG13  ILE  12          1HG1      ILE  12   0.118  -2.598  -1.695
   93   HG21  ILE  12          1HG2      ILE  12  -0.939  -3.657   1.343
   94   HG22  ILE  12          2HG2      ILE  12   0.627  -3.836   2.133
   95   HG23  ILE  12          3HG2      ILE  12  -0.118  -5.217   1.329
   96   HD11  ILE  12          1HD1      ILE  12  -0.456  -4.292  -2.985
   97   HD12  ILE  12          2HD1      ILE  12  -1.787  -4.661  -1.889
   98   HD13  ILE  12          3HD1      ILE  12  -0.212  -5.418  -1.650
   99    H    LEU  13           HN       LEU  13   1.263  -1.034  -1.643
  100    HA   LEU  13           HA       LEU  13   3.034  -2.111  -3.595
  101    HB2  LEU  13           HB2      LEU  13   2.705   0.450  -4.452
  102    HB3  LEU  13           HB1      LEU  13   1.612  -0.867  -4.815
  103    HG   LEU  13           HG       LEU  13   1.050   0.596  -2.314
  104   HD11  LEU  13          1HD1      LEU  13   0.228   1.900  -4.873
  105   HD12  LEU  13          2HD1      LEU  13   1.788   2.285  -4.147
  106   HD13  LEU  13          3HD1      LEU  13   0.300   2.571  -3.244
  107   HD21  LEU  13          1HD2      LEU  13  -1.221   0.244  -3.008
  108   HD22  LEU  13          2HD2      LEU  13  -0.331  -1.254  -3.268
  109   HD23  LEU  13          3HD2      LEU  13  -0.706  -0.204  -4.633
  110    H    GLY  14           HN       GLY  14   3.267   0.174  -1.009
  111    HA2  GLY  14           HA2      GLY  14   5.960   0.992  -1.863
  112    HA3  GLY  14           HA1      GLY  14   5.030   1.699  -0.546
  113    H    ARG  15           HN       ARG  15   4.397  -1.257   0.182
  114    HA   ARG  15           HA       ARG  15   6.782  -1.619   1.866
  115    HB2  ARG  15           HB2      ARG  15   3.912  -2.452   2.126
  116    HB3  ARG  15           HB1      ARG  15   5.160  -3.310   3.017
  117    HG2  ARG  15           HG2      ARG  15   4.371  -1.710   4.513
  118    HG3  ARG  15           HG1      ARG  15   5.869  -1.016   3.887
  119    HD2  ARG  15           HD2      ARG  15   4.540   0.290   2.264
  120    HD3  ARG  15           HD1      ARG  15   3.068  -0.356   2.987
  121    HE   ARG  15           HE       ARG  15   4.318   0.740   5.101
  122   HH11  ARG  15          1HH1      ARG  15   3.572   1.977   1.923
  123   HH12  ARG  15          2HH1      ARG  15   3.427   3.616   2.460
  124   HH21  ARG  15          1HH2      ARG  15   4.135   2.899   5.803
  125   HH22  ARG  15          2HH2      ARG  15   3.749   4.140   4.659
  126    H    VAL  16           HN       VAL  16   6.618  -2.375  -0.957
  127    HA   VAL  16           HA       VAL  16   6.922  -5.301  -0.731
  128    HB   VAL  16           HB       VAL  16   5.141  -4.709  -2.324
  129   HG11  VAL  16          1HG1      VAL  16   5.493  -3.404  -4.269
  130   HG12  VAL  16          2HG1      VAL  16   7.231  -3.320  -3.981
  131   HG13  VAL  16          3HG1      VAL  16   6.118  -2.469  -2.911
  132   HG21  VAL  16          1HG2      VAL  16   7.672  -5.838  -3.489
  133   HG22  VAL  16          2HG2      VAL  16   6.138  -5.831  -4.359
  134   HG23  VAL  16          3HG2      VAL  16   6.284  -6.710  -2.838
  135    H    ILE  17           HN       ILE  17   8.020  -2.371  -2.302
  136    HA   ILE  17           HA       ILE  17  10.744  -3.092  -1.769
  137    HB   ILE  17           HB       ILE  17   9.876  -2.505  -4.614
  138   HG12  ILE  17          2HG1      ILE  17   9.394  -4.830  -3.918
  139   HG13  ILE  17          1HG1      ILE  17  10.643  -4.751  -5.155
  140   HG21  ILE  17          1HG2      ILE  17  11.933  -1.589  -4.670
  141   HG22  ILE  17          2HG2      ILE  17  12.459  -3.267  -4.792
  142   HG23  ILE  17          3HG2      ILE  17  12.472  -2.450  -3.229
  143   HD11  ILE  17          1HD1      ILE  17  12.133  -5.739  -3.839
  144   HD12  ILE  17          2HD1      ILE  17  10.776  -6.137  -2.786
  145   HD13  ILE  17          3HD1      ILE  17  11.742  -4.695  -2.472
  146    HA   PRO  18           HA       PRO  18   9.795   1.291  -1.352
  147    HB2  PRO  18           HB2      PRO  18  10.517   1.180   1.393
  148    HB3  PRO  18           HB1      PRO  18   8.881   1.250   0.736
  149    HG2  PRO  18           HG2      PRO  18   9.969  -0.913   2.101
  150    HG3  PRO  18           HG1      PRO  18   8.558  -0.993   1.033
  151    HD2  PRO  18           HD2      PRO  18  11.394  -1.544   0.415
  152    HD3  PRO  18           HD1      PRO  18   9.992  -2.500  -0.046
  153    H    LYS  19           HN       LYS  19  11.289   2.864  -0.102
  154    HA   LYS  19           HA       LYS  19  13.846   2.748  -1.285
  155    HB2  LYS  19           HB2      LYS  19  14.310   4.833  -0.137
  156    HB3  LYS  19           HB1      LYS  19  12.684   4.871  -0.803
  157    HG2  LYS  19           HG2      LYS  19  11.798   5.241   1.193
  158    HG3  LYS  19           HG1      LYS  19  12.652   3.866   1.895
  159    HD2  LYS  19           HD2      LYS  19  14.369   6.172   1.359
  160    HD3  LYS  19           HD1      LYS  19  13.084   6.500   2.523
  161    HE2  LYS  19           HE2      LYS  19  14.518   5.636   4.018
  162    HE3  LYS  19           HE1      LYS  19  13.975   4.083   3.383
  163    HZ1  LYS  19           HZ1      LYS  19  15.849   4.003   1.929
  164    HZ2  LYS  19           HZ2      LYS  19  16.419   4.325   3.488
  165    HZ3  LYS  19           HZ3      LYS  19  16.326   5.572   2.348
  166    H    VAL  20           HN       VAL  20  12.622   1.780   1.819
  167    HA   VAL  20           HA       VAL  20  13.570   0.704   3.586
  168    HB   VAL  20           HB       VAL  20  15.895   0.121   1.752
  169   HG11  VAL  20          1HG1      VAL  20  16.603  -0.709   3.740
  170   HG12  VAL  20          2HG1      VAL  20  15.608  -2.077   3.241
  171   HG13  VAL  20          3HG1      VAL  20  14.967  -0.888   4.375
  172   HG21  VAL  20          1HG2      VAL  20  14.325  -0.811   0.428
  173   HG22  VAL  20          2HG2      VAL  20  13.121  -0.868   1.716
  174   HG23  VAL  20          3HG2      VAL  20  14.373  -2.106   1.624
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -15.329  -1.186   1.633
    2    H2   GLY   1           HT2      GLY   1 -15.042  -2.825   1.934
    3    H3   GLY   1           HT3      GLY   1 -15.931  -2.359   0.573
    4    HA2  GLY   1           HA1      GLY   1 -13.164  -1.417   0.924
    5    HA3  GLY   1           HA2      GLY   1 -13.470  -3.026   0.288
    6    H    LEU   2           HN       LEU   2 -12.374  -2.223  -1.639
    7    HA   LEU   2           HA       LEU   2 -12.411  -1.559  -3.814
    8    HB2  LEU   2           HB2      LEU   2 -15.380  -1.287  -3.321
    9    HB3  LEU   2           HB1      LEU   2 -14.615  -1.165  -4.893
   10    HG   LEU   2           HG       LEU   2 -15.608  -3.351  -4.637
   11   HD11  LEU   2          1HD1      LEU   2 -13.868  -4.558  -5.489
   12   HD12  LEU   2          2HD1      LEU   2 -12.719  -3.957  -4.293
   13   HD13  LEU   2          3HD1      LEU   2 -13.210  -2.928  -5.639
   14   HD21  LEU   2          1HD2      LEU   2 -15.405  -3.300  -2.099
   15   HD22  LEU   2          2HD2      LEU   2 -13.760  -3.893  -2.333
   16   HD23  LEU   2          3HD2      LEU   2 -15.131  -4.850  -2.895
   17    H    GLY   3           HN       GLY   3 -11.175   0.270  -3.191
   18    HA2  GLY   3           HA2      GLY   3 -10.924   2.557  -3.826
   19    HA3  GLY   3           HA1      GLY   3 -12.646   2.788  -3.551
   20    H    SER   4           HN       SER   4 -12.655   1.394  -1.010
   21    HA   SER   4           HA       SER   4 -11.760   3.586   0.663
   22    HB2  SER   4           HB2      SER   4 -12.999   1.018   1.647
   23    HB3  SER   4           HB1      SER   4 -13.053   2.616   2.389
   24    HG   SER   4           HG       SER   4 -14.330   1.831  -0.022
   25    H    VAL   5           HN       VAL   5 -11.009   0.257   0.003
   26    HA   VAL   5           HA       VAL   5  -9.047  -0.068   2.070
   27    HB   VAL   5           HB       VAL   5  -9.248  -1.656  -0.448
   28   HG11  VAL   5          1HG1      VAL   5  -7.354  -1.989   1.191
   29   HG12  VAL   5          2HG1      VAL   5  -8.286  -3.433   0.795
   30   HG13  VAL   5          3HG1      VAL   5  -8.558  -2.599   2.325
   31   HG21  VAL   5          1HG2      VAL   5 -11.415  -1.988   0.097
   32   HG22  VAL   5          2HG2      VAL   5 -11.176  -1.505   1.776
   33   HG23  VAL   5          3HG2      VAL   5 -10.734  -3.131   1.254
   34    H    PHE   6           HN       PHE   6  -9.118   0.914  -1.276
   35    HA   PHE   6           HA       PHE   6  -6.598   0.580  -2.197
   36    HB2  PHE   6           HB2      PHE   6  -7.253   1.987  -3.827
   37    HB3  PHE   6           HB1      PHE   6  -8.775   2.089  -2.950
   38    HD1  PHE   6           HD1      PHE   6  -6.383   3.980  -4.522
   39    HD2  PHE   6           HD2      PHE   6  -8.594   3.865  -0.889
   40    HE1  PHE   6           HE1      PHE   6  -6.053   6.403  -4.249
   41    HE2  PHE   6           HE2      PHE   6  -8.270   6.287  -0.610
   42    HZ   PHE   6           HZ       PHE   6  -6.998   7.560  -2.291
   43    H    GLY   7           HN       GLY   7  -7.573   2.603   0.421
   44    HA2  GLY   7           HA2      GLY   7  -5.317   4.322   0.527
   45    HA3  GLY   7           HA1      GLY   7  -6.387   3.945   1.873
   46    H    ARG   8           HN       ARG   8  -6.002   1.156   1.907
   47    HA   ARG   8           HA       ARG   8  -3.499   1.026   3.327
   48    HB2  ARG   8           HB2      ARG   8  -5.167  -1.392   2.747
   49    HB3  ARG   8           HB1      ARG   8  -4.235  -1.005   4.185
   50    HG2  ARG   8           HG2      ARG   8  -6.887   0.152   3.362
   51    HG3  ARG   8           HG1      ARG   8  -6.549  -0.898   4.739
   52    HD2  ARG   8           HD2      ARG   8  -5.935   0.821   6.016
   53    HD3  ARG   8           HD1      ARG   8  -4.896   1.484   4.755
   54    HE   ARG   8           HE       ARG   8  -7.305   2.190   3.868
   55   HH11  ARG   8          1HH1      ARG   8  -5.879   2.456   7.044
   56   HH12  ARG   8          2HH1      ARG   8  -6.800   3.857   7.476
   57   HH21  ARG   8          1HH2      ARG   8  -8.517   4.033   4.438
   58   HH22  ARG   8          2HH2      ARG   8  -8.296   4.752   5.998
   59    H    LEU   9           HN       LEU   9  -4.927  -0.476   0.450
   60    HA   LEU   9           HA       LEU   9  -2.864  -2.166  -0.279
   61    HB2  LEU   9           HB2      LEU   9  -4.868  -0.624  -1.893
   62    HB3  LEU   9           HB1      LEU   9  -3.679  -1.646  -2.676
   63    HG   LEU   9           HG       LEU   9  -4.935  -3.159  -0.602
   64   HD11  LEU   9          1HD1      LEU   9  -6.874  -1.902  -2.538
   65   HD12  LEU   9          2HD1      LEU   9  -6.779  -1.547  -0.813
   66   HD13  LEU   9          3HD1      LEU   9  -7.234  -3.161  -1.357
   67   HD21  LEU   9          1HD2      LEU   9  -3.903  -3.622  -3.046
   68   HD22  LEU   9          2HD2      LEU   9  -5.626  -3.666  -3.422
   69   HD23  LEU   9          3HD2      LEU   9  -4.962  -4.750  -2.199
   70    H    ALA  10           HN       ALA  10  -3.360   1.135  -1.539
   71    HA   ALA  10           HA       ALA  10  -1.144   1.484  -3.069
   72    HB1  ALA  10           HB1      ALA  10  -2.342   3.511  -1.191
   73    HB2  ALA  10           HB2      ALA  10  -2.852   3.181  -2.847
   74    HB3  ALA  10           HB3      ALA  10  -1.262   3.878  -2.536
   75    H    ARG  11           HN       ARG  11  -1.197   1.187   0.375
   76    HA   ARG  11           HA       ARG  11   1.480   2.203   0.704
   77    HB2  ARG  11           HB2      ARG  11   0.138   2.820   2.489
   78    HB3  ARG  11           HB1      ARG  11  -0.664   1.259   2.548
   79    HG2  ARG  11           HG2      ARG  11   2.222   1.221   3.115
   80    HG3  ARG  11           HG1      ARG  11   1.217   2.062   4.298
   81    HD2  ARG  11           HD2      ARG  11   0.911  -0.780   3.345
   82    HD3  ARG  11           HD1      ARG  11   1.426  -0.247   4.948
   83    HE   ARG  11           HE       ARG  11  -1.151   0.748   4.195
   84   HH11  ARG  11          1HH1      ARG  11   0.546  -1.972   5.573
   85   HH12  ARG  11          2HH1      ARG  11  -0.831  -2.547   6.452
   86   HH21  ARG  11          1HH2      ARG  11  -2.964  -0.007   5.351
   87   HH22  ARG  11          2HH2      ARG  11  -2.824  -1.432   6.325
   88    H    ILE  12           HN       ILE  12  -0.228  -0.923   1.021
   89    HA   ILE  12           HA       ILE  12   1.971  -2.412   1.864
   90    HB   ILE  12           HB       ILE  12   0.895  -4.393   1.142
   91   HG12  ILE  12          2HG1      ILE  12  -1.493  -3.554  -0.118
   92   HG13  ILE  12          1HG1      ILE  12  -0.178  -2.738  -0.949
   93   HG21  ILE  12          1HG2      ILE  12  -1.595  -3.679   1.887
   94   HG22  ILE  12          2HG2      ILE  12  -0.684  -2.272   2.435
   95   HG23  ILE  12          3HG2      ILE  12  -0.252  -3.882   3.012
   96   HD11  ILE  12          1HD1      ILE  12   0.157  -4.586  -2.108
   97   HD12  ILE  12          2HD1      ILE  12  -1.034  -5.454  -1.139
   98   HD13  ILE  12          3HD1      ILE  12   0.650  -5.389  -0.618
   99    H    LEU  13           HN       LEU  13   1.052  -1.401  -1.366
  100    HA   LEU  13           HA       LEU  13   2.935  -3.017  -2.742
  101    HB2  LEU  13           HB2      LEU  13   2.781  -0.900  -4.396
  102    HB3  LEU  13           HB1      LEU  13   1.592  -2.185  -4.355
  103    HG   LEU  13           HG       LEU  13   1.008  -0.018  -2.480
  104   HD11  LEU  13          1HD1      LEU  13   0.561   0.696  -5.336
  105   HD12  LEU  13          2HD1      LEU  13   2.134   1.028  -4.610
  106   HD13  LEU  13          3HD1      LEU  13   0.675   1.735  -3.916
  107   HD21  LEU  13          1HD2      LEU  13  -0.551  -1.303  -4.726
  108   HD22  LEU  13          2HD2      LEU  13  -1.214  -0.269  -3.463
  109   HD23  LEU  13          3HD2      LEU  13  -0.538  -1.842  -3.048
  110    H    GLY  14           HN       GLY  14   3.039   0.052  -1.084
  111    HA2  GLY  14           HA2      GLY  14   5.694   0.735  -1.961
  112    HA3  GLY  14           HA1      GLY  14   4.816   1.465  -0.619
  113    H    ARG  15           HN       ARG  15   4.397  -1.509   0.222
  114    HA   ARG  15           HA       ARG  15   6.847  -1.676   1.835
  115    HB2  ARG  15           HB2      ARG  15   4.041  -2.668   2.184
  116    HB3  ARG  15           HB1      ARG  15   5.355  -3.473   3.033
  117    HG2  ARG  15           HG2      ARG  15   4.519  -1.906   4.550
  118    HG3  ARG  15           HG1      ARG  15   5.988  -1.169   3.907
  119    HD2  ARG  15           HD2      ARG  15   4.408  -0.071   2.190
  120    HD3  ARG  15           HD1      ARG  15   3.126  -0.500   3.319
  121    HE   ARG  15           HE       ARG  15   4.952   1.651   3.568
  122   HH11  ARG  15          1HH1      ARG  15   3.275  -0.750   5.471
  123   HH12  ARG  15          2HH1      ARG  15   3.292   0.205   6.915
  124   HH21  ARG  15          1HH2      ARG  15   4.967   2.907   5.465
  125   HH22  ARG  15          2HH2      ARG  15   4.250   2.280   6.912
  126    H    VAL  16           HN       VAL  16   6.666  -2.495  -0.972
  127    HA   VAL  16           HA       VAL  16   7.160  -5.388  -0.698
  128    HB   VAL  16           HB       VAL  16   5.291  -4.517  -2.333
  129   HG11  VAL  16          1HG1      VAL  16   6.079  -4.118  -4.611
  130   HG12  VAL  16          2HG1      VAL  16   7.747  -4.139  -4.042
  131   HG13  VAL  16          3HG1      VAL  16   6.651  -2.868  -3.509
  132   HG21  VAL  16          1HG2      VAL  16   7.369  -6.543  -3.143
  133   HG22  VAL  16          2HG2      VAL  16   5.757  -6.407  -3.845
  134   HG23  VAL  16          3HG2      VAL  16   5.944  -6.831  -2.144
  135    H    ILE  17           HN       ILE  17   8.056  -2.418  -2.308
  136    HA   ILE  17           HA       ILE  17  10.825  -3.001  -1.837
  137    HB   ILE  17           HB       ILE  17   9.831  -2.514  -4.661
  138   HG12  ILE  17          2HG1      ILE  17   9.597  -4.859  -3.907
  139   HG13  ILE  17          1HG1      ILE  17  10.792  -4.691  -5.188
  140   HG21  ILE  17          1HG2      ILE  17  11.788  -1.407  -4.809
  141   HG22  ILE  17          2HG2      ILE  17  12.463  -3.031  -4.931
  142   HG23  ILE  17          3HG2      ILE  17  12.463  -2.190  -3.381
  143   HD11  ILE  17          1HD1      ILE  17  12.379  -5.561  -3.915
  144   HD12  ILE  17          2HD1      ILE  17  11.119  -5.964  -2.748
  145   HD13  ILE  17          3HD1      ILE  17  12.016  -4.454  -2.591
  146    HA   PRO  18           HA       PRO  18   9.660   1.327  -1.381
  147    HB2  PRO  18           HB2      PRO  18  10.378   1.219   1.365
  148    HB3  PRO  18           HB1      PRO  18   8.743   1.219   0.701
  149    HG2  PRO  18           HG2      PRO  18   9.926  -0.904   2.048
  150    HG3  PRO  18           HG1      PRO  18   8.526  -1.040   0.969
  151    HD2  PRO  18           HD2      PRO  18  11.392  -1.439   0.363
  152    HD3  PRO  18           HD1      PRO  18  10.045  -2.464  -0.112
  153    H    LYS  19           HN       LYS  19  11.064   2.958  -0.105
  154    HA   LYS  19           HA       LYS  19  13.626   3.015  -1.278
  155    HB2  LYS  19           HB2      LYS  19  13.960   5.097  -0.093
  156    HB3  LYS  19           HB1      LYS  19  12.323   5.047  -0.732
  157    HG2  LYS  19           HG2      LYS  19  11.483   5.383   1.285
  158    HG3  LYS  19           HG1      LYS  19  12.322   3.963   1.909
  159    HD2  LYS  19           HD2      LYS  19  14.188   6.117   1.559
  160    HD3  LYS  19           HD1      LYS  19  12.811   6.672   2.511
  161    HE2  LYS  19           HE2      LYS  19  13.609   5.622   4.296
  162    HE3  LYS  19           HE1      LYS  19  13.547   4.086   3.435
  163    HZ1  LYS  19           HZ1      LYS  19  15.748   4.551   2.537
  164    HZ2  LYS  19           HZ2      LYS  19  15.773   4.548   4.229
  165    HZ3  LYS  19           HZ3      LYS  19  15.806   6.014   3.385
  166    H    VAL  20           HN       VAL  20  12.458   1.937   1.819
  167    HA   VAL  20           HA       VAL  20  13.465   0.914   3.585
  168    HB   VAL  20           HB       VAL  20  15.760   0.363   1.704
  169   HG11  VAL  20          1HG1      VAL  20  16.511  -0.411   3.710
  170   HG12  VAL  20          2HG1      VAL  20  15.587  -1.823   3.199
  171   HG13  VAL  20          3HG1      VAL  20  14.887  -0.677   4.343
  172   HG21  VAL  20          1HG2      VAL  20  14.174  -0.605   0.424
  173   HG22  VAL  20          2HG2      VAL  20  13.004  -0.677   1.742
  174   HG23  VAL  20          3HG2      VAL  20  14.277  -1.892   1.625
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -16.173  -1.561  -0.447
    2    H2   GLY   1           HT2      GLY   1 -15.815  -0.488   0.810
    3    H3   GLY   1           HT3      GLY   1 -16.003  -2.137   1.135
    4    HA2  GLY   1           HA1      GLY   1 -13.635  -1.017   0.877
    5    HA3  GLY   1           HA2      GLY   1 -13.949  -2.687   0.430
    6    H    LEU   2           HN       LEU   2 -12.188  -2.548  -1.054
    7    HA   LEU   2           HA       LEU   2 -11.369  -2.438  -3.176
    8    HB2  LEU   2           HB2      LEU   2 -13.855  -1.093  -4.159
    9    HB3  LEU   2           HB1      LEU   2 -12.808  -2.225  -4.991
   10    HG   LEU   2           HG       LEU   2 -14.844  -2.854  -2.857
   11   HD11  LEU   2          1HD1      LEU   2 -16.083  -3.865  -4.507
   12   HD12  LEU   2          2HD1      LEU   2 -14.690  -4.099  -5.563
   13   HD13  LEU   2          3HD1      LEU   2 -15.399  -2.494  -5.380
   14   HD21  LEU   2          1HD2      LEU   2 -13.082  -4.296  -2.323
   15   HD22  LEU   2          2HD2      LEU   2 -12.642  -4.531  -4.015
   16   HD23  LEU   2          3HD2      LEU   2 -14.120  -5.253  -3.380
   17    H    GLY   3           HN       GLY   3 -13.472   0.436  -2.935
   18    HA2  GLY   3           HA2      GLY   3 -11.251   2.096  -3.845
   19    HA3  GLY   3           HA1      GLY   3 -12.925   2.602  -3.675
   20    H    SER   4           HN       SER   4 -12.955   1.340  -0.928
   21    HA   SER   4           HA       SER   4 -12.018   3.688   0.488
   22    HB2  SER   4           HB2      SER   4 -13.194   1.241   1.793
   23    HB3  SER   4           HB1      SER   4 -13.275   2.921   2.323
   24    HG   SER   4           HG       SER   4 -14.528   3.232   0.293
   25    H    VAL   5           HN       VAL   5 -11.208   0.352   0.048
   26    HA   VAL   5           HA       VAL   5  -9.192   0.239   2.102
   27    HB   VAL   5           HB       VAL   5  -9.466  -1.607  -0.222
   28   HG11  VAL   5          1HG1      VAL   5  -8.051  -1.620   2.338
   29   HG12  VAL   5          2HG1      VAL   5  -7.709  -2.503   0.851
   30   HG13  VAL   5          3HG1      VAL   5  -8.908  -3.121   1.986
   31   HG21  VAL   5          1HG2      VAL   5 -11.690  -1.509   0.585
   32   HG22  VAL   5          2HG2      VAL   5 -11.157  -1.526   2.265
   33   HG23  VAL   5          3HG2      VAL   5 -10.992  -2.975   1.273
   34    H    PHE   6           HN       PHE   6  -9.399   0.996  -1.283
   35    HA   PHE   6           HA       PHE   6  -6.927   0.545  -2.303
   36    HB2  PHE   6           HB2      PHE   6  -7.582   1.915  -3.978
   37    HB3  PHE   6           HB1      PHE   6  -9.102   1.994  -3.094
   38    HD1  PHE   6           HD1      PHE   6  -8.930   3.829  -1.067
   39    HD2  PHE   6           HD2      PHE   6  -6.818   3.922  -4.760
   40    HE1  PHE   6           HE1      PHE   6  -8.682   6.268  -0.859
   41    HE2  PHE   6           HE2      PHE   6  -6.565   6.361  -4.557
   42    HZ   PHE   6           HZ       PHE   6  -7.497   7.537  -2.604
   43    H    GLY   7           HN       GLY   7  -7.765   2.726   0.227
   44    HA2  GLY   7           HA2      GLY   7  -5.407   4.352   0.120
   45    HA3  GLY   7           HA1      GLY   7  -6.532   4.239   1.467
   46    H    ARG   8           HN       ARG   8  -6.341   1.426   1.832
   47    HA   ARG   8           HA       ARG   8  -3.998   1.323   3.464
   48    HB2  ARG   8           HB2      ARG   8  -6.319  -0.444   2.914
   49    HB3  ARG   8           HB1      ARG   8  -4.856  -1.227   3.495
   50    HG2  ARG   8           HG2      ARG   8  -6.145  -0.773   5.403
   51    HG3  ARG   8           HG1      ARG   8  -4.869   0.445   5.390
   52    HD2  ARG   8           HD2      ARG   8  -7.252   1.278   3.938
   53    HD3  ARG   8           HD1      ARG   8  -7.573   0.923   5.635
   54    HE   ARG   8           HE       ARG   8  -5.379   2.483   5.761
   55   HH11  ARG   8          1HH1      ARG   8  -8.446   2.846   4.136
   56   HH12  ARG   8          2HH1      ARG   8  -8.436   4.574   4.233
   57   HH21  ARG   8          1HH2      ARG   8  -5.366   4.760   5.891
   58   HH22  ARG   8          2HH2      ARG   8  -6.688   5.661   5.228
   59    H    LEU   9           HN       LEU   9  -5.084  -0.720   0.726
   60    HA   LEU   9           HA       LEU   9  -2.789  -2.186   0.348
   61    HB2  LEU   9           HB2      LEU   9  -4.876  -1.172  -1.538
   62    HB3  LEU   9           HB1      LEU   9  -3.470  -1.997  -2.183
   63    HG   LEU   9           HG       LEU   9  -4.488  -3.602  -0.073
   64   HD11  LEU   9          1HD1      LEU   9  -6.650  -3.274  -2.083
   65   HD12  LEU   9          2HD1      LEU   9  -6.566  -2.122  -0.750
   66   HD13  LEU   9          3HD1      LEU   9  -6.728  -3.846  -0.417
   67   HD21  LEU   9          1HD2      LEU   9  -3.371  -3.979  -2.494
   68   HD22  LEU   9          2HD2      LEU   9  -5.053  -4.354  -2.865
   69   HD23  LEU   9          3HD2      LEU   9  -4.211  -5.242  -1.596
   70    H    ALA  10           HN       ALA  10  -3.382   1.140  -0.479
   71    HA   ALA  10           HA       ALA  10  -1.439   1.722  -2.328
   72    HB1  ALA  10           HB1      ALA  10  -1.411   3.902  -0.598
   73    HB2  ALA  10           HB2      ALA  10  -3.016   3.192  -0.418
   74    HB3  ALA  10           HB3      ALA  10  -2.440   3.676  -2.012
   75    H    ARG  11           HN       ARG  11  -0.954   0.792   0.957
   76    HA   ARG  11           HA       ARG  11   1.719   1.852   1.048
   77    HB2  ARG  11           HB2      ARG  11   1.602   1.687   3.286
   78    HB3  ARG  11           HB1      ARG  11  -0.119   1.550   2.995
   79    HG2  ARG  11           HG2      ARG  11   1.340  -1.007   2.975
   80    HG3  ARG  11           HG1      ARG  11   1.339  -0.151   4.512
   81    HD2  ARG  11           HD2      ARG  11  -0.996  -1.156   2.923
   82    HD3  ARG  11           HD1      ARG  11  -0.550  -1.535   4.583
   83    HE   ARG  11           HE       ARG  11  -1.886   0.882   3.637
   84   HH11  ARG  11          1HH1      ARG  11  -0.472  -0.879   6.307
   85   HH12  ARG  11          2HH1      ARG  11  -1.274   0.067   7.513
   86   HH21  ARG  11          1HH2      ARG  11  -2.932   2.125   5.231
   87   HH22  ARG  11          2HH2      ARG  11  -2.667   1.770   6.905
   88    H    ILE  12           HN       ILE  12   0.133  -1.335   0.942
   89    HA   ILE  12           HA       ILE  12   2.410  -2.898   1.215
   90    HB   ILE  12           HB       ILE  12   1.284  -4.653  -0.041
   91   HG12  ILE  12          2HG1      ILE  12  -1.203  -3.088  -0.369
   92   HG13  ILE  12          1HG1      ILE  12   0.095  -2.700  -1.490
   93   HG21  ILE  12          1HG2      ILE  12  -0.970  -4.420   1.383
   94   HG22  ILE  12          2HG2      ILE  12   0.002  -3.177   2.170
   95   HG23  ILE  12          3HG2      ILE  12   0.585  -4.840   2.101
   96   HD11  ILE  12          1HD1      ILE  12  -1.750  -4.786  -1.664
   97   HD12  ILE  12          2HD1      ILE  12  -0.200  -5.538  -1.288
   98   HD13  ILE  12          3HD1      ILE  12  -0.353  -4.491  -2.699
   99    H    LEU  13           HN       LEU  13   1.244  -1.148  -1.573
  100    HA   LEU  13           HA       LEU  13   3.009  -2.347  -3.459
  101    HB2  LEU  13           HB2      LEU  13   2.680   0.147  -4.487
  102    HB3  LEU  13           HB1      LEU  13   1.577  -1.187  -4.751
  103    HG   LEU  13           HG       LEU  13   1.032   0.434  -2.348
  104   HD11  LEU  13          1HD1      LEU  13  -0.243   1.973  -4.153
  105   HD12  LEU  13          2HD1      LEU  13   1.238   1.618  -5.041
  106   HD13  LEU  13          3HD1      LEU  13   1.323   2.380  -3.453
  107   HD21  LEU  13          1HD2      LEU  13  -1.250   0.086  -3.059
  108   HD22  LEU  13          2HD2      LEU  13  -0.378  -1.440  -3.168
  109   HD23  LEU  13          3HD2      LEU  13  -0.711  -0.509  -4.627
  110    H    GLY  14           HN       GLY  14   3.240   0.103  -1.033
  111    HA2  GLY  14           HA2      GLY  14   5.917   0.892  -1.949
  112    HA3  GLY  14           HA1      GLY  14   4.995   1.653  -0.658
  113    H    ARG  15           HN       ARG  15   4.403  -1.261   0.239
  114    HA   ARG  15           HA       ARG  15   6.819  -1.510   1.898
  115    HB2  ARG  15           HB2      ARG  15   3.962  -2.337   2.264
  116    HB3  ARG  15           HB1      ARG  15   5.231  -3.143   3.175
  117    HG2  ARG  15           HG2      ARG  15   4.500  -1.466   4.602
  118    HG3  ARG  15           HG1      ARG  15   5.957  -0.786   3.874
  119    HD2  ARG  15           HD2      ARG  15   4.640   0.511   2.332
  120    HD3  ARG  15           HD1      ARG  15   3.162  -0.270   2.883
  121    HE   ARG  15           HE       ARG  15   3.079   1.221   4.600
  122   HH11  ARG  15          1HH1      ARG  15   6.362   1.095   3.426
  123   HH12  ARG  15          2HH1      ARG  15   6.916   2.359   4.471
  124   HH21  ARG  15          1HH2      ARG  15   3.805   2.886   5.972
  125   HH22  ARG  15          2HH2      ARG  15   5.465   3.376   5.916
  126    H    VAL  16           HN       VAL  16   6.618  -2.436  -0.865
  127    HA   VAL  16           HA       VAL  16   6.942  -5.343  -0.468
  128    HB   VAL  16           HB       VAL  16   5.147  -4.867  -2.075
  129   HG11  VAL  16          1HG1      VAL  16   5.436  -3.634  -4.063
  130   HG12  VAL  16          2HG1      VAL  16   7.184  -3.551  -3.849
  131   HG13  VAL  16          3HG1      VAL  16   6.120  -2.642  -2.777
  132   HG21  VAL  16          1HG2      VAL  16   7.481  -5.814  -3.699
  133   HG22  VAL  16          2HG2      VAL  16   5.808  -6.374  -3.723
  134   HG23  VAL  16          3HG2      VAL  16   6.851  -6.771  -2.357
  135    H    ILE  17           HN       ILE  17   8.010  -2.506  -2.217
  136    HA   ILE  17           HA       ILE  17  10.742  -3.199  -1.680
  137    HB   ILE  17           HB       ILE  17   9.832  -2.762  -4.539
  138   HG12  ILE  17          2HG1      ILE  17   9.348  -5.046  -3.708
  139   HG13  ILE  17          1HG1      ILE  17  10.571  -5.039  -4.975
  140   HG21  ILE  17          1HG2      ILE  17  11.891  -1.863  -4.671
  141   HG22  ILE  17          2HG2      ILE  17  12.405  -3.550  -4.716
  142   HG23  ILE  17          3HG2      ILE  17  12.449  -2.655  -3.197
  143   HD11  ILE  17          1HD1      ILE  17  10.745  -6.282  -2.520
  144   HD12  ILE  17          2HD1      ILE  17  11.749  -4.842  -2.342
  145   HD13  ILE  17          3HD1      ILE  17  12.070  -5.986  -3.646
  146    HA   PRO  18           HA       PRO  18   9.793   1.199  -1.486
  147    HB2  PRO  18           HB2      PRO  18  10.524   1.223   1.260
  148    HB3  PRO  18           HB1      PRO  18   8.887   1.269   0.604
  149    HG2  PRO  18           HG2      PRO  18   9.961  -0.827   2.075
  150    HG3  PRO  18           HG1      PRO  18   8.554  -0.957   1.006
  151    HD2  PRO  18           HD2      PRO  18  11.392  -1.539   0.425
  152    HD3  PRO  18           HD1      PRO  18   9.992  -2.521   0.013
  153    H    LYS  19           HN       LYS  19  11.284   2.833  -0.320
  154    HA   LYS  19           HA       LYS  19  13.850   2.645  -1.489
  155    HB2  LYS  19           HB2      LYS  19  14.303   4.801  -0.432
  156    HB3  LYS  19           HB1      LYS  19  12.722   4.799  -1.200
  157    HG2  LYS  19           HG2      LYS  19  11.722   5.319   0.704
  158    HG3  LYS  19           HG1      LYS  19  12.495   3.972   1.542
  159    HD2  LYS  19           HD2      LYS  19  14.363   6.129   1.031
  160    HD3  LYS  19           HD1      LYS  19  12.963   6.687   1.948
  161    HE2  LYS  19           HE2      LYS  19  13.886   5.833   3.778
  162    HE3  LYS  19           HE1      LYS  19  13.695   4.226   3.080
  163    HZ1  LYS  19           HZ1      LYS  19  15.868   4.378   2.117
  164    HZ2  LYS  19           HZ2      LYS  19  15.991   4.731   3.766
  165    HZ3  LYS  19           HZ3      LYS  19  16.047   5.981   2.628
  166    H    VAL  20           HN       VAL  20  12.599   1.975   1.693
  167    HA   VAL  20           HA       VAL  20  13.520   1.003   3.533
  168    HB   VAL  20           HB       VAL  20  15.893   0.318   1.799
  169   HG11  VAL  20          1HG1      VAL  20  16.510  -0.277   3.927
  170   HG12  VAL  20          2HG1      VAL  20  15.700  -1.753   3.402
  171   HG13  VAL  20          3HG1      VAL  20  14.853  -0.602   4.435
  172   HG21  VAL  20          1HG2      VAL  20  14.359  -0.720   0.509
  173   HG22  VAL  20          2HG2      VAL  20  13.132  -0.712   1.776
  174   HG23  VAL  20          3HG2      VAL  20  14.406  -1.932   1.790
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -15.680  -1.288   1.200
    2    H2   GLY   1           HT2      GLY   1 -15.045  -2.592   2.070
    3    H3   GLY   1           HT3      GLY   1 -15.867  -2.866   0.618
    4    HA2  GLY   1           HA1      GLY   1 -13.275  -1.450   0.920
    5    HA3  GLY   1           HA2      GLY   1 -13.491  -3.072   0.281
    6    H    LEU   2           HN       LEU   2 -12.427  -2.352  -1.648
    7    HA   LEU   2           HA       LEU   2 -12.404  -1.680  -3.821
    8    HB2  LEU   2           HB2      LEU   2 -15.343  -1.778  -3.255
    9    HB3  LEU   2           HB1      LEU   2 -14.774  -1.130  -4.781
   10    HG   LEU   2           HG       LEU   2 -15.426  -3.523  -4.893
   11   HD11  LEU   2          1HD1      LEU   2 -13.875  -3.943  -6.474
   12   HD12  LEU   2          2HD1      LEU   2 -12.523  -3.593  -5.396
   13   HD13  LEU   2          3HD1      LEU   2 -13.411  -2.271  -6.155
   14   HD21  LEU   2          1HD2      LEU   2 -14.257  -3.807  -2.495
   15   HD22  LEU   2          2HD2      LEU   2 -12.939  -4.351  -3.534
   16   HD23  LEU   2          3HD2      LEU   2 -14.511  -5.147  -3.614
   17    H    GLY   3           HN       GLY   3 -11.224   0.193  -3.294
   18    HA2  GLY   3           HA2      GLY   3 -11.029   2.472  -3.951
   19    HA3  GLY   3           HA1      GLY   3 -12.759   2.663  -3.698
   20    H    SER   4           HN       SER   4 -12.753   1.337  -1.117
   21    HA   SER   4           HA       SER   4 -11.927   3.597   0.499
   22    HB2  SER   4           HB2      SER   4 -13.102   1.027   1.554
   23    HB3  SER   4           HB1      SER   4 -13.213   2.649   2.239
   24    HG   SER   4           HG       SER   4 -14.468   1.691  -0.119
   25    H    VAL   5           HN       VAL   5 -11.096   0.267  -0.056
   26    HA   VAL   5           HA       VAL   5  -9.114   0.083   2.017
   27    HB   VAL   5           HB       VAL   5  -9.327  -1.660  -0.393
   28   HG11  VAL   5          1HG1      VAL   5  -8.657  -2.512   2.403
   29   HG12  VAL   5          2HG1      VAL   5  -7.436  -1.821   1.336
   30   HG13  VAL   5          3HG1      VAL   5  -8.265  -3.309   0.880
   31   HG21  VAL   5          1HG2      VAL   5 -11.462  -2.067   0.173
   32   HG22  VAL   5          2HG2      VAL   5 -11.275  -1.335   1.767
   33   HG23  VAL   5          3HG2      VAL   5 -10.772  -3.004   1.499
   34    H    PHE   6           HN       PHE   6  -9.236   0.842  -1.393
   35    HA   PHE   6           HA       PHE   6  -6.709   0.486  -2.302
   36    HB2  PHE   6           HB2      PHE   6  -7.418   1.730  -4.036
   37    HB3  PHE   6           HB1      PHE   6  -8.925   1.906  -3.148
   38    HD1  PHE   6           HD1      PHE   6  -8.710   3.861  -1.251
   39    HD2  PHE   6           HD2      PHE   6  -6.572   3.653  -4.924
   40    HE1  PHE   6           HE1      PHE   6  -8.391   6.300  -1.198
   41    HE2  PHE   6           HE2      PHE   6  -6.245   6.091  -4.876
   42    HZ   PHE   6           HZ       PHE   6  -7.155   7.417  -3.012
   43    H    GLY   7           HN       GLY   7  -7.727   2.681   0.153
   44    HA2  GLY   7           HA2      GLY   7  -5.443   4.403   0.105
   45    HA3  GLY   7           HA1      GLY   7  -6.591   4.238   1.428
   46    H    ARG   8           HN       ARG   8  -6.285   1.457   1.833
   47    HA   ARG   8           HA       ARG   8  -3.926   1.463   3.462
   48    HB2  ARG   8           HB2      ARG   8  -5.554  -0.995   2.898
   49    HB3  ARG   8           HB1      ARG   8  -4.713  -0.541   4.373
   50    HG2  ARG   8           HG2      ARG   8  -7.273   0.629   3.309
   51    HG3  ARG   8           HG1      ARG   8  -7.068  -0.377   4.744
   52    HD2  ARG   8           HD2      ARG   8  -5.920   2.382   4.334
   53    HD3  ARG   8           HD1      ARG   8  -7.316   1.980   5.334
   54    HE   ARG   8           HE       ARG   8  -4.885   0.582   6.023
   55   HH11  ARG   8          1HH1      ARG   8  -6.857   3.409   6.586
   56   HH12  ARG   8          2HH1      ARG   8  -6.187   3.717   8.152
   57   HH21  ARG   8          1HH2      ARG   8  -4.004   0.989   8.082
   58   HH22  ARG   8          2HH2      ARG   8  -4.567   2.345   9.001
   59    H    LEU   9           HN       LEU   9  -5.045  -0.488   0.689
   60    HA   LEU   9           HA       LEU   9  -2.830  -2.087   0.336
   61    HB2  LEU   9           HB2      LEU   9  -4.848  -0.944  -1.540
   62    HB3  LEU   9           HB1      LEU   9  -3.464  -1.788  -2.207
   63    HG   LEU   9           HG       LEU   9  -4.382  -3.532  -0.268
   64   HD11  LEU   9          1HD1      LEU   9  -6.840  -2.854  -1.780
   65   HD12  LEU   9          2HD1      LEU   9  -6.432  -1.856  -0.384
   66   HD13  LEU   9          3HD1      LEU   9  -6.651  -3.595  -0.191
   67   HD21  LEU   9          1HD2      LEU   9  -4.450  -3.340  -3.215
   68   HD22  LEU   9          2HD2      LEU   9  -5.509  -4.543  -2.479
   69   HD23  LEU   9          3HD2      LEU   9  -3.773  -4.590  -2.171
   70    H    ALA  10           HN       ALA  10  -3.302   1.240  -0.686
   71    HA   ALA  10           HA       ALA  10  -1.234   1.704  -2.405
   72    HB1  ALA  10           HB1      ALA  10  -2.175   3.525  -0.199
   73    HB2  ALA  10           HB2      ALA  10  -2.867   3.394  -1.816
   74    HB3  ALA  10           HB3      ALA  10  -1.230   4.017  -1.605
   75    H    ARG  11           HN       ARG  11  -0.961   0.898   0.930
   76    HA   ARG  11           HA       ARG  11   1.738   1.884   1.151
   77    HB2  ARG  11           HB2      ARG  11   1.237   2.013   3.317
   78    HB3  ARG  11           HB1      ARG  11  -0.360   1.386   2.959
   79    HG2  ARG  11           HG2      ARG  11   1.279  -0.872   3.121
   80    HG3  ARG  11           HG1      ARG  11   1.806   0.187   4.423
   81    HD2  ARG  11           HD2      ARG  11   0.123  -1.022   5.431
   82    HD3  ARG  11           HD1      ARG  11  -0.730   0.430   4.905
   83    HE   ARG  11           HE       ARG  11  -1.095  -1.215   2.822
   84   HH11  ARG  11          1HH1      ARG  11  -1.521  -1.696   6.255
   85   HH12  ARG  11          2HH1      ARG  11  -2.789  -2.859   6.060
   86   HH21  ARG  11          1HH2      ARG  11  -2.761  -2.745   2.567
   87   HH22  ARG  11          2HH2      ARG  11  -3.493  -3.455   3.968
   88    H    ILE  12           HN       ILE  12   0.063  -1.263   1.045
   89    HA   ILE  12           HA       ILE  12   2.317  -2.862   1.446
   90    HB   ILE  12           HB       ILE  12   1.164  -4.656   0.289
   91   HG12  ILE  12          2HG1      ILE  12  -1.295  -3.093  -0.177
   92   HG13  ILE  12          1HG1      ILE  12   0.029  -2.749  -1.281
   93   HG21  ILE  12          1HG2      ILE  12  -1.110  -4.298   1.655
   94   HG22  ILE  12          2HG2      ILE  12  -0.129  -3.027   2.385
   95   HG23  ILE  12          3HG2      ILE  12   0.424  -4.701   2.426
   96   HD11  ILE  12          1HD1      ILE  12  -0.447  -4.562  -2.441
   97   HD12  ILE  12          2HD1      ILE  12  -1.806  -4.877  -1.362
   98   HD13  ILE  12          3HD1      ILE  12  -0.222  -5.567  -1.009
   99    H    LEU  13           HN       LEU  13   1.202  -1.198  -1.400
  100    HA   LEU  13           HA       LEU  13   2.943  -2.528  -3.233
  101    HB2  LEU  13           HB2      LEU  13   2.612  -0.122  -4.426
  102    HB3  LEU  13           HB1      LEU  13   1.482  -1.453  -4.568
  103    HG   LEU  13           HG       LEU  13   0.994   0.322  -2.276
  104   HD11  LEU  13          1HD1      LEU  13   0.106   1.422  -4.882
  105   HD12  LEU  13          2HD1      LEU  13   1.776   1.715  -4.397
  106   HD13  LEU  13          3HD1      LEU  13   0.451   2.245  -3.361
  107   HD21  LEU  13          1HD2      LEU  13  -1.302   0.016  -2.986
  108   HD22  LEU  13          2HD2      LEU  13  -0.477  -1.540  -2.988
  109   HD23  LEU  13          3HD2      LEU  13  -0.768  -0.694  -4.508
  110    H    GLY  14           HN       GLY  14   3.199   0.044  -0.944
  111    HA2  GLY  14           HA2      GLY  14   5.836   0.837  -1.937
  112    HA3  GLY  14           HA1      GLY  14   4.960   1.570  -0.597
  113    H    ARG  15           HN       ARG  15   4.444  -1.399   0.217
  114    HA   ARG  15           HA       ARG  15   6.891  -1.633   1.830
  115    HB2  ARG  15           HB2      ARG  15   4.061  -2.522   2.203
  116    HB3  ARG  15           HB1      ARG  15   5.348  -3.377   3.042
  117    HG2  ARG  15           HG2      ARG  15   4.529  -1.745   4.534
  118    HG3  ARG  15           HG1      ARG  15   6.088  -1.157   3.953
  119    HD2  ARG  15           HD2      ARG  15   4.737   0.113   2.187
  120    HD3  ARG  15           HD1      ARG  15   3.333  -0.232   3.191
  121    HE   ARG  15           HE       ARG  15   5.279   1.766   3.643
  122   HH11  ARG  15          1HH1      ARG  15   3.330  -0.563   5.369
  123   HH12  ARG  15          2HH1      ARG  15   3.313   0.357   6.835
  124   HH21  ARG  15          1HH2      ARG  15   5.252   2.972   5.571
  125   HH22  ARG  15          2HH2      ARG  15   4.402   2.361   6.951
  126    H    VAL  16           HN       VAL  16   6.688  -2.476  -0.965
  127    HA   VAL  16           HA       VAL  16   7.111  -5.381  -0.661
  128    HB   VAL  16           HB       VAL  16   5.278  -4.892  -2.236
  129   HG11  VAL  16          1HG1      VAL  16   5.501  -3.598  -4.167
  130   HG12  VAL  16          2HG1      VAL  16   7.261  -3.569  -4.054
  131   HG13  VAL  16          3HG1      VAL  16   6.288  -2.647  -2.910
  132   HG21  VAL  16          1HG2      VAL  16   7.737  -5.864  -3.682
  133   HG22  VAL  16          2HG2      VAL  16   6.059  -6.234  -4.078
  134   HG23  VAL  16          3HG2      VAL  16   6.766  -6.839  -2.580
  135    H    ILE  17           HN       ILE  17   8.072  -2.445  -2.301
  136    HA   ILE  17           HA       ILE  17  10.831  -3.082  -1.836
  137    HB   ILE  17           HB       ILE  17   9.871  -2.519  -4.656
  138   HG12  ILE  17          2HG1      ILE  17   9.436  -4.854  -3.936
  139   HG13  ILE  17          1HG1      ILE  17  10.632  -4.756  -5.224
  140   HG21  ILE  17          1HG2      ILE  17  12.514  -2.476  -3.345
  141   HG22  ILE  17          2HG2      ILE  17  11.915  -1.563  -4.730
  142   HG23  ILE  17          3HG2      ILE  17  12.441  -3.234  -4.936
  143   HD11  ILE  17          1HD1      ILE  17  12.212  -5.690  -3.968
  144   HD12  ILE  17          2HD1      ILE  17  10.892  -6.169  -2.901
  145   HD13  ILE  17          3HD1      ILE  17  11.809  -4.701  -2.565
  146    HA   PRO  18           HA       PRO  18   9.751   1.273  -1.413
  147    HB2  PRO  18           HB2      PRO  18  10.507   1.172   1.328
  148    HB3  PRO  18           HB1      PRO  18   8.865   1.217   0.685
  149    HG2  PRO  18           HG2      PRO  18   9.986  -0.929   2.037
  150    HG3  PRO  18           HG1      PRO  18   8.588  -1.039   0.953
  151    HD2  PRO  18           HD2      PRO  18  11.446  -1.499   0.353
  152    HD3  PRO  18           HD1      PRO  18  10.082  -2.511  -0.104
  153    H    LYS  19           HN       LYS  19  11.195   2.894  -0.178
  154    HA   LYS  19           HA       LYS  19  13.743   2.895  -1.379
  155    HB2  LYS  19           HB2      LYS  19  14.142   4.965  -0.142
  156    HB3  LYS  19           HB1      LYS  19  12.542   4.970  -0.871
  157    HG2  LYS  19           HG2      LYS  19  11.564   5.249   1.097
  158    HG3  LYS  19           HG1      LYS  19  12.446   3.893   1.800
  159    HD2  LYS  19           HD2      LYS  19  14.112   6.251   1.391
  160    HD3  LYS  19           HD1      LYS  19  12.751   6.548   2.474
  161    HE2  LYS  19           HE2      LYS  19  14.044   5.676   4.074
  162    HE3  LYS  19           HE1      LYS  19  13.689   4.115   3.334
  163    HZ1  LYS  19           HZ1      LYS  19  15.995   5.814   2.560
  164    HZ2  LYS  19           HZ2      LYS  19  15.697   4.216   2.093
  165    HZ3  LYS  19           HZ3      LYS  19  16.090   4.566   3.700
  166    H    VAL  20           HN       VAL  20  12.589   1.887   1.750
  167    HA   VAL  20           HA       VAL  20  13.592   0.814   3.489
  168    HB   VAL  20           HB       VAL  20  15.915   0.332   1.625
  169   HG11  VAL  20          1HG1      VAL  20  16.684  -0.470   3.603
  170   HG12  VAL  20          2HG1      VAL  20  15.744  -1.878   3.110
  171   HG13  VAL  20          3HG1      VAL  20  15.066  -0.722   4.257
  172   HG21  VAL  20          1HG2      VAL  20  14.358  -0.652   0.322
  173   HG22  VAL  20          2HG2      VAL  20  13.184  -0.774   1.632
  174   HG23  VAL  20          3HG2      VAL  20  14.489  -1.954   1.505