NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
1041 1a1p cing 1-original 5 MR format nomenclature mapping


   Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1           HT1      ILE   1  -7.004   5.202   1.622
    2   2H    ILE   1           HT3      ILE   1  -7.724   6.220   0.473
    3   3H    ILE   1           HT2      ILE   1  -7.664   4.545   0.202
    4    HA   ILE   1           HA       ILE   1  -5.922   5.226  -1.115
    5    HB   ILE   1           HB       ILE   1  -6.312   7.583  -0.421
    6   1HG1  ILE   1          HG12      ILE   1  -3.398   6.742  -0.252
    7   2HG1  ILE   1          HG11      ILE   1  -4.300   6.968  -1.752
    8   1HG2  ILE   1          HG21      ILE   1  -5.992   6.778   2.099
    9   2HG2  ILE   1          HG23      ILE   1  -4.322   7.252   1.789
   10   3HG2  ILE   1          HG22      ILE   1  -5.620   8.434   1.618
   11   1HD1  ILE   1          HD12      ILE   1  -4.711   9.301  -0.187
   12   2HD1  ILE   1          HD11      ILE   1  -2.982   8.952  -0.142
   13   3HD1  ILE   1          HD13      ILE   1  -3.800   9.159  -1.690
   14    H    CYS   2           HN       CYS   2  -3.879   4.251  -1.090
   15    HA   CYS   2           HA       CYS   2  -2.341   3.827   1.331
   16   1HB   CYS   2           HB2      CYS   2  -2.747   1.217   1.040
   17   2HB   CYS   2           HB1      CYS   2  -3.846   2.190   2.010
   18    H    VAL   3           HN       VAL   3  -0.361   4.062   0.392
   19    HA   VAL   3           HA       VAL   3   0.328   2.301  -1.908
   20    HB   VAL   3           HB       VAL   3   0.521   5.294  -1.670
   21   1HG1  VAL   3          HG12      VAL   3   2.170   3.407  -3.335
   22   2HG1  VAL   3          HG11      VAL   3   1.767   5.004  -3.964
   23   3HG1  VAL   3          HG13      VAL   3   2.680   4.852  -2.463
   24   1HG2  VAL   3          HG22      VAL   3  -1.449   3.913  -2.728
   25   2HG2  VAL   3          HG21      VAL   3  -0.839   5.335  -3.575
   26   3HG2  VAL   3          HG23      VAL   3  -0.338   3.723  -4.084
   27    H    VAL   4           HN       VAL   4   0.979   3.022   1.098
   28    HA   VAL   4           HA       VAL   4   3.802   3.579   1.159
   29    HB   VAL   4           HB       VAL   4   2.653   4.016   3.148
   30   1HG1  VAL   4          HG12      VAL   4   1.247   1.452   2.542
   31   2HG1  VAL   4          HG11      VAL   4   1.353   1.959   4.228
   32   3HG1  VAL   4          HG13      VAL   4   0.577   3.006   3.040
   33   1HG2  VAL   4          HG22      VAL   4   4.763   2.729   3.535
   34   2HG2  VAL   4          HG21      VAL   4   3.587   2.545   4.837
   35   3HG2  VAL   4          HG23      VAL   4   3.795   1.258   3.648
   36    H    GLN   5           HN       GLN   5   5.433   2.000   1.954
   37    HA   GLN   5           HA       GLN   5   6.675   0.040   1.489
   38   1HB   GLN   5           HB2      GLN   5   3.965  -0.735   2.464
   39   2HB   GLN   5           HB1      GLN   5   5.019  -2.009   1.851
   40   1HG   GLN   5           HG2      GLN   5   6.503  -1.810   3.579
   41   2HG   GLN   5           HG1      GLN   5   6.292  -0.063   3.690
   42   1HE2  GLN   5          HE22      GLN   5   4.632  -1.963   6.595
   43   2HE2  GLN   5          HE21      GLN   5   6.156  -2.191   5.862
   44    H    ASP   6           HN       ASP   6   7.093   0.265  -0.679
   45    HA   ASP   6           HA       ASP   6   5.213  -0.356  -2.812
   46   1HB   ASP   6           HB2      ASP   6   7.335   1.181  -2.670
   47   2HB   ASP   6           HB1      ASP   6   8.206  -0.309  -3.040
   48    H    TRP   7           HN       TRP   7   7.975  -2.000  -1.317
   49    HA   TRP   7           HA       TRP   7   7.817  -4.327  -3.074
   50   1HB   TRP   7           HB2      TRP   7   9.469  -5.191  -1.309
   51   2HB   TRP   7           HB1      TRP   7   9.945  -3.731  -2.170
   52    HD1  TRP   7           HD1      TRP   7  10.682  -1.803  -0.711
   53    HE1  TRP   7           HE1      TRP   7  10.386  -1.122   1.757
   54    HE3  TRP   7           HE3      TRP   7   7.547  -5.505   0.857
   55    HZ2  TRP   7           HZ2      TRP   7   8.996  -2.028   4.088
   56    HZ3  TRP   7           HZ3      TRP   7   6.750  -5.580   3.202
   57    HH2  TRP   7           HH2      TRP   7   7.471  -3.845   4.819
   58    H    GLY   8           HN       GLY   8   6.189  -3.307  -0.241
   59   1HA   GLY   8           HA2      GLY   8   5.018  -6.031   0.041
   60   2HA   GLY   8           HA1      GLY   8   5.570  -5.167   1.476
   61    H    HIS   9           HN       HIS   9   3.240  -5.079  -1.169
   62    HA   HIS   9           HA       HIS   9   1.739  -2.843   0.011
   63   1HB   HIS   9           HB2      HIS   9   1.629  -4.624  -2.391
   64   2HB   HIS   9           HB1      HIS   9   0.130  -3.828  -1.899
   65    HD1  HIS   9           HD1      HIS   9  -0.174  -1.641  -3.029
   66    HD2  HIS   9           HD2      HIS   9   3.861  -2.454  -2.363
   67    HE1  HIS   9           HE1      HIS   9   1.115   0.337  -3.947
   68    H    HIS  10           HN       HIS  10  -0.842  -3.482   0.027
   69    HA   HIS  10           HA       HIS  10  -1.072  -5.962   1.695
   70   1HB   HIS  10           HB2      HIS  10  -2.534  -3.332   2.077
   71   2HB   HIS  10           HB1      HIS  10  -2.509  -4.703   3.184
   72    HD1  HIS  10           HD1      HIS  10  -0.493  -4.934   4.735
   73    HD2  HIS  10           HD2      HIS  10  -0.026  -1.887   1.928
   74    HE1  HIS  10           HE1      HIS  10   1.580  -3.646   5.413
   75    H    ARG  11           HN       ARG  11  -3.626  -3.702   0.707
   76    HA   ARG  11           HA       ARG  11  -4.579  -5.192  -1.552
   77   1HB   ARG  11           HB2      ARG  11  -6.383  -6.434  -0.466
   78   2HB   ARG  11           HB1      ARG  11  -4.852  -6.869   0.295
   79   1HG   ARG  11           HG2      ARG  11  -5.635  -4.681   1.775
   80   2HG   ARG  11           HG1      ARG  11  -7.175  -5.472   1.434
   81   1HD   ARG  11           HD2      ARG  11  -6.715  -7.016   3.022
   82   2HD   ARG  11           HD1      ARG  11  -5.266  -7.502   2.121
   83    HE   ARG  11           HE       ARG  11  -3.971  -6.140   3.563
   84   1HH1  ARG  11          HH21      ARG  11  -4.765  -3.516   3.530
   85   2HH1  ARG  11          HH22      ARG  11  -5.708  -3.249   4.958
   86   1HH2  ARG  11          HH11      ARG  11  -6.303  -6.624   5.512
   87   2HH2  ARG  11          HH12      ARG  11  -6.587  -5.004   6.077
   88    H    CYS  12           HN       CYS  12  -4.632  -2.727  -1.881
   89    HA   CYS  12           HA       CYS  12  -6.589  -1.122  -0.494
   90   1HB   CYS  12           HB2      CYS  12  -5.147  -0.889  -3.154
   91   2HB   CYS  12           HB1      CYS  12  -6.118   0.408  -2.453
   92    H    THR  13           HN       THR  13  -7.373  -0.372  -3.568
   93    HA   THR  13           HA       THR  13  -9.764  -2.181  -3.550
   94    HB   THR  13           HB       THR  13 -10.201   0.154  -5.107
   95    HG1  THR  13           HG1      THR  13  -8.960   1.548  -4.182
   96   1HG2  THR  13          HG23      THR  13 -11.153  -1.012  -2.534
   97   2HG2  THR  13          HG22      THR  13 -11.577   0.665  -2.878
   98   3HG2  THR  13          HG21      THR  13 -12.061  -0.614  -3.992
   99   1HN   NH2  14           HT1      NH2  14 -10.717  -1.770  -6.116
  100   2HN   NH2  14           HT2      NH2  14  -9.573  -2.269  -7.277
   
  No H/Q in entry =         100
  Start of MODEL    2
    1   1H    ILE   1           HT1      ILE   1  -6.209   4.365  -0.532
    2   2H    ILE   1           HT3      ILE   1  -7.071   5.476   0.414
    3   3H    ILE   1           HT2      ILE   1  -7.010   5.669  -1.271
    4    HA   ILE   1           HA       ILE   1  -4.865   6.465  -1.263
    5    HB   ILE   1           HB       ILE   1  -5.966   7.192   1.470
    6   1HG1  ILE   1          HG12      ILE   1  -6.611   8.515  -1.177
    7   2HG1  ILE   1          HG11      ILE   1  -7.635   7.265  -0.469
    8   1HG2  ILE   1          HG22      ILE   1  -4.267   8.694  -0.545
    9   2HG2  ILE   1          HG21      ILE   1  -4.914   9.389   0.940
   10   3HG2  ILE   1          HG23      ILE   1  -3.731   8.082   1.020
   11   1HD1  ILE   1          HD12      ILE   1  -6.853   9.484   1.342
   12   2HD1  ILE   1          HD11      ILE   1  -7.969   9.902   0.042
   13   3HD1  ILE   1          HD13      ILE   1  -8.394   8.638   1.197
   14    H    CYS   2           HN       CYS   2  -3.757   4.280  -1.036
   15    HA   CYS   2           HA       CYS   2  -2.018   4.324   1.352
   16   1HB   CYS   2           HB2      CYS   2  -2.579   1.669   1.318
   17   2HB   CYS   2           HB1      CYS   2  -3.425   2.815   2.349
   18    H    VAL   3           HN       VAL   3  -0.090   4.397   0.312
   19    HA   VAL   3           HA       VAL   3   0.464   2.324  -1.763
   20    HB   VAL   3           HB       VAL   3   1.065   5.280  -1.719
   21   1HG1  VAL   3          HG13      VAL   3   2.434   3.047  -3.121
   22   2HG1  VAL   3          HG12      VAL   3   2.063   4.465  -4.102
   23   3HG1  VAL   3          HG11      VAL   3   3.055   4.629  -2.651
   24   1HG2  VAL   3          HG21      VAL   3  -0.807   3.496  -3.124
   25   2HG2  VAL   3          HG23      VAL   3  -0.896   5.240  -2.868
   26   3HG2  VAL   3          HG22      VAL   3   0.064   4.591  -4.197
   27    H    VAL   4           HN       VAL   4   1.112   3.183   1.206
   28    HA   VAL   4           HA       VAL   4   3.893   3.562   1.503
   29    HB   VAL   4           HB       VAL   4   2.531   3.767   3.412
   30   1HG1  VAL   4          HG12      VAL   4   1.211   1.417   2.269
   31   2HG1  VAL   4          HG11      VAL   4   1.398   1.306   4.019
   32   3HG1  VAL   4          HG13      VAL   4   0.547   2.678   3.308
   33   1HG2  VAL   4          HG23      VAL   4   4.663   2.600   3.899
   34   2HG2  VAL   4          HG22      VAL   4   3.385   2.121   5.011
   35   3HG2  VAL   4          HG21      VAL   4   3.846   1.051   3.687
   36    H    GLN   5           HN       GLN   5   5.407   1.822   2.380
   37    HA   GLN   5           HA       GLN   5   6.678  -0.097   1.852
   38   1HB   GLN   5           HB2      GLN   5   3.818  -0.947   2.171
   39   2HB   GLN   5           HB1      GLN   5   5.029  -2.134   1.689
   40   1HG   GLN   5           HG2      GLN   5   6.165  -2.006   3.705
   41   2HG   GLN   5           HG1      GLN   5   5.650  -0.347   4.008
   42   1HE2  GLN   5          HE22      GLN   5   3.218  -1.587   6.244
   43   2HE2  GLN   5          HE21      GLN   5   4.513  -0.510   5.975
   44    H    ASP   6           HN       ASP   6   7.447   0.403  -0.187
   45    HA   ASP   6           HA       ASP   6   5.964   0.319  -2.647
   46   1HB   ASP   6           HB2      ASP   6   8.882   0.107  -1.882
   47   2HB   ASP   6           HB1      ASP   6   8.358   0.126  -3.566
   48    H    TRP   7           HN       TRP   7   7.441  -2.134  -0.683
   49    HA   TRP   7           HA       TRP   7   7.024  -4.168  -2.841
   50   1HB   TRP   7           HB2      TRP   7   8.576  -5.466  -1.149
   51   2HB   TRP   7           HB1      TRP   7   9.275  -4.262  -2.225
   52    HD1  TRP   7           HD1      TRP   7  10.541  -2.350  -1.148
   53    HE1  TRP   7           HE1      TRP   7  10.874  -1.474   1.251
   54    HE3  TRP   7           HE3      TRP   7   7.178  -5.274   1.307
   55    HZ2  TRP   7           HZ2      TRP   7   9.840  -1.957   3.873
   56    HZ3  TRP   7           HZ3      TRP   7   6.865  -5.054   3.759
   57    HH2  TRP   7           HH2      TRP   7   8.192  -3.397   5.042
   58    H    GLY   8           HN       GLY   8   6.030  -3.091   0.285
   59   1HA   GLY   8           HA2      GLY   8   4.768  -5.681   0.935
   60   2HA   GLY   8           HA1      GLY   8   4.822  -4.264   1.986
   61    H    HIS   9           HN       HIS   9   3.558  -4.968  -1.305
   62    HA   HIS   9           HA       HIS   9   1.321  -3.121  -0.930
   63   1HB   HIS   9           HB2      HIS   9   2.205  -5.104  -3.038
   64   2HB   HIS   9           HB1      HIS   9   0.720  -4.160  -3.204
   65    HD1  HIS   9           HD1      HIS   9   2.792  -3.565  -5.273
   66    HD2  HIS   9           HD2      HIS   9   2.784  -1.638  -1.576
   67    HE1  HIS   9           HE1      HIS   9   4.085  -1.411  -5.586
   68    H    HIS  10           HN       HIS  10  -0.637  -3.667  -0.043
   69    HA   HIS  10           HA       HIS  10  -1.215  -6.548   0.475
   70   1HB   HIS  10           HB2      HIS  10  -2.322  -3.932   1.547
   71   2HB   HIS  10           HB1      HIS  10  -2.890  -5.522   2.058
   72    HD1  HIS  10           HD1      HIS  10  -1.287  -6.965   3.504
   73    HD2  HIS  10           HD2      HIS  10   0.269  -3.230   2.500
   74    HE1  HIS  10           HE1      HIS  10   0.757  -6.626   4.960
   75    H    ARG  11           HN       ARG  11  -3.732  -4.131   0.322
   76    HA   ARG  11           HA       ARG  11  -4.621  -4.534  -2.375
   77   1HB   ARG  11           HB2      ARG  11  -6.418  -6.174  -1.907
   78   2HB   ARG  11           HB1      ARG  11  -4.836  -6.856  -1.532
   79   1HG   ARG  11           HG2      ARG  11  -5.650  -5.550   0.820
   80   2HG   ARG  11           HG1      ARG  11  -7.086  -6.392   0.236
   81   1HD   ARG  11           HD2      ARG  11  -5.755  -8.492   0.046
   82   2HD   ARG  11           HD1      ARG  11  -4.355  -7.637   0.725
   83    HE   ARG  11           HE       ARG  11  -6.462  -8.674   2.297
   84   1HH1  ARG  11          HH11      ARG  11  -7.611  -6.066   2.571
   85   2HH1  ARG  11          HH12      ARG  11  -6.654  -5.293   3.799
   86   1HH2  ARG  11          HH21      ARG  11  -4.011  -7.519   3.507
   87   2HH2  ARG  11          HH22      ARG  11  -4.615  -6.118   4.326
   88    H    CYS  12           HN       CYS  12  -4.922  -2.206  -1.823
   89    HA   CYS  12           HA       CYS  12  -6.786  -1.353   0.210
   90   1HB   CYS  12           HB2      CYS  12  -5.633  -0.103  -2.301
   91   2HB   CYS  12           HB1      CYS  12  -6.642   0.789  -1.159
   92    H    THR  13           HN       THR  13  -7.182  -2.661  -2.968
   93    HA   THR  13           HA       THR  13 -10.124  -2.183  -2.795
   94    HB   THR  13           HB       THR  13  -8.340  -1.648  -5.195
   95    HG1  THR  13           HG1      THR  13  -9.678   0.017  -3.343
   96   1HG2  THR  13          HG23      THR  13 -11.329  -1.414  -4.765
   97   2HG2  THR  13          HG22      THR  13 -10.482  -0.656  -6.112
   98   3HG2  THR  13          HG21      THR  13 -10.490  -2.412  -5.955
   99   1HN   NH2  14           HT1      NH2  14  -9.607  -4.644  -2.147
  100   2HN   NH2  14           HT2      NH2  14  -9.590  -5.752  -3.444
   
  No H/Q in entry =         100
  Start of MODEL    3
    1   1H    ILE   1           HT1      ILE   1  -4.211   5.112  -2.763
    2   2H    ILE   1           HT3      ILE   1  -5.814   4.729  -2.363
    3   3H    ILE   1           HT2      ILE   1  -5.471   6.158  -3.213
    4    HA   ILE   1           HA       ILE   1  -4.667   7.246  -1.376
    5    HB   ILE   1           HB       ILE   1  -6.998   5.487  -1.065
    6   1HG1  ILE   1          HG12      ILE   1  -6.635   8.306  -0.053
    7   2HG1  ILE   1          HG11      ILE   1  -6.795   7.965  -1.775
    8   1HG2  ILE   1          HG21      ILE   1  -5.836   4.991   1.092
    9   2HG2  ILE   1          HG23      ILE   1  -5.806   6.719   1.443
   10   3HG2  ILE   1          HG22      ILE   1  -7.348   5.868   1.321
   11   1HD1  ILE   1          HD11      ILE   1  -8.779   7.080   0.339
   12   2HD1  ILE   1          HD13      ILE   1  -8.983   8.493  -0.701
   13   3HD1  ILE   1          HD12      ILE   1  -8.944   6.876  -1.405
   14    H    CYS   2           HN       CYS   2  -4.578   3.729  -0.900
   15    HA   CYS   2           HA       CYS   2  -2.550   4.119   1.262
   16   1HB   CYS   2           HB2      CYS   2  -3.090   1.746   1.773
   17   2HB   CYS   2           HB1      CYS   2  -4.526   2.767   1.794
   18    H    VAL   3           HN       VAL   3  -0.495   4.059   0.506
   19    HA   VAL   3           HA       VAL   3   0.174   2.129  -1.683
   20    HB   VAL   3           HB       VAL   3   0.396   4.979  -1.379
   21   1HG1  VAL   3          HG12      VAL   3   2.696   4.475  -0.577
   22   2HG1  VAL   3          HG11      VAL   3   3.004   3.588  -2.069
   23   3HG1  VAL   3          HG13      VAL   3   2.705   5.325  -2.122
   24   1HG2  VAL   3          HG21      VAL   3  -0.331   3.411  -3.349
   25   2HG2  VAL   3          HG23      VAL   3   0.480   4.933  -3.718
   26   3HG2  VAL   3          HG22      VAL   3   1.389   3.420  -3.750
   27    H    VAL   4           HN       VAL   4   0.405   2.469   1.434
   28    HA   VAL   4           HA       VAL   4   2.900   2.539   2.502
   29    HB   VAL   4           HB       VAL   4   1.391   1.850   4.067
   30   1HG1  VAL   4          HG13      VAL   4   0.185   0.287   1.814
   31   2HG1  VAL   4          HG12      VAL   4  -0.222  -0.169   3.467
   32   3HG1  VAL   4          HG11      VAL   4  -0.573   1.460   2.892
   33   1HG2  VAL   4          HG21      VAL   4   3.247   0.204   4.205
   34   2HG2  VAL   4          HG23      VAL   4   1.719  -0.473   4.761
   35   3HG2  VAL   4          HG22      VAL   4   2.336  -0.886   3.161
   36    H    GLN   5           HN       GLN   5   4.706   1.181   2.695
   37    HA   GLN   5           HA       GLN   5   6.423  -0.079   1.680
   38   1HB   GLN   5           HB2      GLN   5   4.066  -1.981   1.611
   39   2HB   GLN   5           HB1      GLN   5   5.757  -2.451   1.458
   40   1HG   GLN   5           HG2      GLN   5   6.269  -1.690   3.672
   41   2HG   GLN   5           HG1      GLN   5   4.693  -0.915   3.836
   42   1HE2  GLN   5          HE22      GLN   5   4.884  -4.498   5.315
   43   2HE2  GLN   5          HE21      GLN   5   6.072  -3.274   5.330
   44    H    ASP   6           HN       ASP   6   6.864   0.927  -0.214
   45    HA   ASP   6           HA       ASP   6   5.444   1.290  -2.552
   46   1HB   ASP   6           HB2      ASP   6   8.286   0.866  -1.800
   47   2HB   ASP   6           HB1      ASP   6   7.925   0.692  -3.519
   48    H    TRP   7           HN       TRP   7   6.799  -1.693  -1.341
   49    HA   TRP   7           HA       TRP   7   5.724  -3.166  -3.722
   50   1HB   TRP   7           HB2      TRP   7   7.545  -4.837  -2.892
   51   2HB   TRP   7           HB1      TRP   7   8.069  -3.387  -3.742
   52    HD1  TRP   7           HD1      TRP   7   9.793  -1.970  -2.558
   53    HE1  TRP   7           HE1      TRP   7  10.700  -1.777  -0.158
   54    HE3  TRP   7           HE3      TRP   7   6.627  -5.170  -0.165
   55    HZ2  TRP   7           HZ2      TRP   7  10.158  -2.840   2.437
   56    HZ3  TRP   7           HZ3      TRP   7   6.846  -5.569   2.272
   57    HH2  TRP   7           HH2      TRP   7   8.605  -4.404   3.577
   58    H    GLY   8           HN       GLY   8   5.588  -2.696  -0.347
   59   1HA   GLY   8           HA2      GLY   8   4.639  -5.369   0.341
   60   2HA   GLY   8           HA1      GLY   8   4.676  -3.976   1.418
   61    H    HIS   9           HN       HIS   9   3.018  -4.737  -1.667
   62    HA   HIS   9           HA       HIS   9   0.624  -3.275  -0.813
   63   1HB   HIS   9           HB2      HIS   9   1.552  -4.868  -3.197
   64   2HB   HIS   9           HB1      HIS   9  -0.159  -4.453  -3.044
   65    HD1  HIS   9           HD1      HIS   9   0.359  -2.908  -5.224
   66    HD2  HIS   9           HD2      HIS   9   2.117  -1.686  -1.649
   67    HE1  HIS   9           HE1      HIS   9   1.055  -0.496  -5.559
   68    H    HIS  10           HN       HIS  10  -0.187  -4.398   1.037
   69    HA   HIS  10           HA       HIS  10  -0.663  -7.305   0.865
   70   1HB   HIS  10           HB2      HIS  10  -0.185  -5.317   2.853
   71   2HB   HIS  10           HB1      HIS  10  -1.733  -6.084   3.212
   72    HD1  HIS  10           HD1      HIS  10  -0.639  -7.340   5.255
   73    HD2  HIS  10           HD2      HIS  10   0.999  -8.325   1.550
   74    HE1  HIS  10           HE1      HIS  10   0.752  -9.425   5.618
   75    H    ARG  11           HN       ARG  11  -2.724  -4.482   1.692
   76    HA   ARG  11           HA       ARG  11  -4.970  -5.818   0.255
   77   1HB   ARG  11           HB2      ARG  11  -6.390  -5.493   2.260
   78   2HB   ARG  11           HB1      ARG  11  -5.003  -6.527   2.612
   79   1HG   ARG  11           HG2      ARG  11  -4.154  -3.857   3.047
   80   2HG   ARG  11           HG1      ARG  11  -5.724  -4.026   3.831
   81   1HD   ARG  11           HD2      ARG  11  -4.457  -6.402   4.498
   82   2HD   ARG  11           HD1      ARG  11  -3.150  -5.204   4.592
   83    HE   ARG  11           HE       ARG  11  -4.807  -3.819   5.982
   84   1HH1  ARG  11          HH21      ARG  11  -7.088  -5.747   5.741
   85   2HH1  ARG  11          HH22      ARG  11  -6.975  -6.629   7.228
   86   1HH2  ARG  11          HH11      ARG  11  -3.727  -5.595   7.898
   87   2HH2  ARG  11          HH12      ARG  11  -5.071  -6.543   8.456
   88    H    CYS  12           HN       CYS  12  -4.660  -4.055  -1.265
   89    HA   CYS  12           HA       CYS  12  -5.879  -1.488  -0.330
   90   1HB   CYS  12           HB2      CYS  12  -3.316  -2.099  -1.712
   91   2HB   CYS  12           HB1      CYS  12  -4.196  -0.676  -2.276
   92    H    THR  13           HN       THR  13  -7.068  -0.360  -2.047
   93    HA   THR  13           HA       THR  13  -8.068  -2.240  -4.135
   94    HB   THR  13           HB       THR  13  -9.459  -0.932  -2.338
   95    HG1  THR  13           HG1      THR  13 -10.545  -2.016  -3.873
   96   1HG2  THR  13          HG21      THR  13  -8.319   1.264  -3.050
   97   2HG2  THR  13          HG23      THR  13  -9.368   1.203  -4.467
   98   3HG2  THR  13          HG22      THR  13 -10.071   1.297  -2.853
   99   1HN   NH2  14           HT1      NH2  14  -5.892   0.367  -3.829
  100   2HN   NH2  14           HT2      NH2  14  -5.908   0.892  -5.450
   
  No H/Q in entry =         100
  Start of MODEL    4
    1   1H    ILE   1           HT1      ILE   1  -4.450   5.664  -1.749
    2   2H    ILE   1           HT3      ILE   1  -6.072   5.656  -1.253
    3   3H    ILE   1           HT2      ILE   1  -5.344   7.108  -1.748
    4    HA   ILE   1           HA       ILE   1  -4.388   7.480   0.231
    5    HB   ILE   1           HB       ILE   1  -6.734   5.670   0.480
    6   1HG1  ILE   1          HG12      ILE   1  -6.826   8.161   0.216
    7   2HG1  ILE   1          HG11      ILE   1  -7.628   7.588   1.679
    8   1HG2  ILE   1          HG22      ILE   1  -4.768   6.130   2.714
    9   2HG2  ILE   1          HG21      ILE   1  -6.492   5.995   3.065
   10   3HG2  ILE   1          HG23      ILE   1  -5.642   4.657   2.292
   11   1HD1  ILE   1          HD13      ILE   1  -4.732   8.226   1.915
   12   2HD1  ILE   1          HD12      ILE   1  -5.827   9.593   1.713
   13   3HD1  ILE   1          HD11      ILE   1  -6.039   8.485   3.070
   14    H    CYS   2           HN       CYS   2  -4.477   4.010  -0.502
   15    HA   CYS   2           HA       CYS   2  -2.305   3.491   1.450
   16   1HB   CYS   2           HB2      CYS   2  -2.719   1.143   0.767
   17   2HB   CYS   2           HB1      CYS   2  -4.210   1.949   1.252
   18    H    VAL   3           HN       VAL   3  -0.294   3.980   0.729
   19    HA   VAL   3           HA       VAL   3   0.564   2.972  -1.927
   20    HB   VAL   3           HB       VAL   3   0.618   5.805  -0.907
   21   1HG1  VAL   3          HG12      VAL   3   2.253   4.507  -3.087
   22   2HG1  VAL   3          HG11      VAL   3   1.908   6.237  -3.096
   23   3HG1  VAL   3          HG13      VAL   3   2.812   5.523  -1.759
   24   1HG2  VAL   3          HG23      VAL   3  -0.620   4.352  -3.232
   25   2HG2  VAL   3          HG22      VAL   3  -1.368   5.486  -2.108
   26   3HG2  VAL   3          HG21      VAL   3  -0.280   6.078  -3.362
   27    H    VAL   4           HN       VAL   4   1.058   2.864   1.176
   28    HA   VAL   4           HA       VAL   4   3.922   3.446   1.381
   29    HB   VAL   4           HB       VAL   4   2.128   3.603   3.190
   30   1HG1  VAL   4          HG13      VAL   4   2.517   0.606   3.134
   31   2HG1  VAL   4          HG12      VAL   4   1.714   1.480   4.437
   32   3HG1  VAL   4          HG11      VAL   4   1.015   1.476   2.818
   33   1HG2  VAL   4          HG22      VAL   4   4.772   3.317   3.408
   34   2HG2  VAL   4          HG21      VAL   4   3.724   3.388   4.824
   35   3HG2  VAL   4          HG23      VAL   4   4.280   1.829   4.218
   36    H    GLN   5           HN       GLN   5   5.126   1.438   2.531
   37    HA   GLN   5           HA       GLN   5   6.273  -0.567   1.920
   38   1HB   GLN   5           HB2      GLN   5   3.347  -1.003   2.241
   39   2HB   GLN   5           HB1      GLN   5   4.318  -2.350   1.662
   40   1HG   GLN   5           HG2      GLN   5   4.044  -2.209   4.192
   41   2HG   GLN   5           HG1      GLN   5   5.700  -2.320   3.605
   42   1HE2  GLN   5          HE22      GLN   5   4.761   0.778   5.896
   43   2HE2  GLN   5          HE21      GLN   5   3.879  -0.679   5.824
   44    H    ASP   6           HN       ASP   6   5.976   1.089  -0.298
   45    HA   ASP   6           HA       ASP   6   4.687   0.377  -2.607
   46   1HB   ASP   6           HB2      ASP   6   7.640   0.974  -2.256
   47   2HB   ASP   6           HB1      ASP   6   6.750   1.143  -3.769
   48    H    TRP   7           HN       TRP   7   7.147  -1.510  -0.982
   49    HA   TRP   7           HA       TRP   7   7.255  -3.432  -3.263
   50   1HB   TRP   7           HB2      TRP   7   9.084  -4.389  -1.637
   51   2HB   TRP   7           HB1      TRP   7   9.425  -2.925  -2.553
   52    HD1  TRP   7           HD1      TRP   7  10.259  -0.982  -1.195
   53    HE1  TRP   7           HE1      TRP   7  10.217  -0.274   1.282
   54    HE3  TRP   7           HE3      TRP   7   7.383  -4.714   0.715
   55    HZ2  TRP   7           HZ2      TRP   7   9.095  -1.181   3.753
   56    HZ3  TRP   7           HZ3      TRP   7   6.830  -4.774   3.129
   57    HH2  TRP   7           HH2      TRP   7   7.682  -3.013   4.651
   58    H    GLY   8           HN       GLY   8   5.753  -2.973  -0.255
   59   1HA   GLY   8           HA2      GLY   8   5.072  -5.871  -0.135
   60   2HA   GLY   8           HA1      GLY   8   5.373  -4.926   1.322
   61    H    HIS   9           HN       HIS   9   3.195  -5.154  -1.485
   62    HA   HIS   9           HA       HIS   9   1.226  -3.315  -0.367
   63   1HB   HIS   9           HB2      HIS   9   1.080  -5.391  -2.579
   64   2HB   HIS   9           HB1      HIS   9  -0.062  -4.070  -2.336
   65    HD1  HIS   9           HD1      HIS   9   1.259  -3.999  -4.987
   66    HD2  HIS   9           HD2      HIS   9   3.069  -2.295  -1.640
   67    HE1  HIS   9           HE1      HIS   9   2.915  -2.295  -5.859
   68    H    HIS  10           HN       HIS  10  -0.961  -3.988   0.292
   69    HA   HIS  10           HA       HIS  10  -1.025  -6.737   1.500
   70   1HB   HIS  10           HB2      HIS  10  -2.284  -4.113   2.357
   71   2HB   HIS  10           HB1      HIS  10  -2.490  -5.647   3.201
   72    HD1  HIS  10           HD1      HIS  10   0.041  -6.821   3.751
   73    HD2  HIS  10           HD2      HIS  10  -0.213  -2.669   3.447
   74    HE1  HIS  10           HE1      HIS  10   2.086  -5.890   4.919
   75    H    ARG  11           HN       ARG  11  -3.457  -4.224   0.816
   76    HA   ARG  11           HA       ARG  11  -4.795  -5.608  -1.307
   77   1HB   ARG  11           HB2      ARG  11  -6.755  -6.387   0.150
   78   2HB   ARG  11           HB1      ARG  11  -5.263  -7.314   0.307
   79   1HG   ARG  11           HG2      ARG  11  -5.016  -5.210   2.156
   80   2HG   ARG  11           HG1      ARG  11  -6.678  -5.782   2.321
   81   1HD   ARG  11           HD2      ARG  11  -5.954  -8.035   2.760
   82   2HD   ARG  11           HD1      ARG  11  -4.285  -7.650   2.298
   83    HE   ARG  11           HE       ARG  11  -3.988  -6.619   4.409
   84   1HH1  ARG  11          HH21      ARG  11  -7.008  -8.088   4.282
   85   2HH1  ARG  11          HH22      ARG  11  -7.703  -7.165   5.572
   86   1HH2  ARG  11          HH11      ARG  11  -5.011  -4.992   5.826
   87   2HH2  ARG  11          HH12      ARG  11  -6.578  -5.416   6.448
   88    H    CYS  12           HN       CYS  12  -4.900  -3.369  -1.992
   89    HA   CYS  12           HA       CYS  12  -6.371  -1.409  -0.373
   90   1HB   CYS  12           HB2      CYS  12  -5.106  -1.483  -3.124
   91   2HB   CYS  12           HB1      CYS  12  -5.969  -0.063  -2.526
   92    H    THR  13           HN       THR  13  -6.953  -1.662  -3.812
   93    HA   THR  13           HA       THR  13  -9.612  -2.881  -3.523
   94    HB   THR  13           HB       THR  13  -9.115   0.076  -3.877
   95    HG1  THR  13           HG1      THR  13  -9.614  -0.778  -1.818
   96   1HG2  THR  13          HG21      THR  13 -11.439  -1.566  -4.874
   97   2HG2  THR  13          HG23      THR  13 -11.639   0.131  -4.437
   98   3HG2  THR  13          HG22      THR  13 -10.526  -0.323  -5.729
   99   1HN   NH2  14           HT1      NH2  14  -9.953  -3.973  -5.485
  100   2HN   NH2  14           HT2      NH2  14  -9.256  -3.543  -6.981
   
  No H/Q in entry =         100
  Start of MODEL    5
    1   1H    ILE   1           HT3      ILE   1  -5.077   5.677  -2.160
    2   2H    ILE   1           HT2      ILE   1  -6.167   5.733  -0.858
    3   3H    ILE   1           HT1      ILE   1  -6.207   6.937  -2.056
    4    HA   ILE   1           HA       ILE   1  -4.104   7.808  -1.380
    5    HB   ILE   1           HB       ILE   1  -6.454   8.053  -0.126
    6   1HG1  ILE   1          HG12      ILE   1  -4.805   9.841  -0.346
    7   2HG1  ILE   1          HG11      ILE   1  -5.377   9.775   1.323
    8   1HG2  ILE   1          HG23      ILE   1  -5.579   6.061   1.401
    9   2HG2  ILE   1          HG22      ILE   1  -4.758   7.372   2.247
   10   3HG2  ILE   1          HG21      ILE   1  -6.515   7.387   2.092
   11   1HD1  ILE   1          HD13      ILE   1  -3.373   8.278   1.815
   12   2HD1  ILE   1          HD12      ILE   1  -2.761   8.730   0.223
   13   3HD1  ILE   1          HD11      ILE   1  -2.997   9.965   1.460
   14    H    CYS   2           HN       CYS   2  -4.609   4.558  -0.519
   15    HA   CYS   2           HA       CYS   2  -2.465   4.430   1.492
   16   1HB   CYS   2           HB2      CYS   2  -3.136   2.164   1.704
   17   2HB   CYS   2           HB1      CYS   2  -4.631   3.007   1.301
   18    H    VAL   3           HN       VAL   3  -0.338   4.178   0.986
   19    HA   VAL   3           HA       VAL   3   0.428   2.818  -1.533
   20    HB   VAL   3           HB       VAL   3   1.158   5.644  -0.755
   21   1HG1  VAL   3          HG12      VAL   3   2.186   3.781  -2.884
   22   2HG1  VAL   3          HG11      VAL   3   2.216   5.527  -3.135
   23   3HG1  VAL   3          HG13      VAL   3   3.099   4.815  -1.785
   24   1HG2  VAL   3          HG23      VAL   3  -0.497   4.480  -3.012
   25   2HG2  VAL   3          HG22      VAL   3  -1.052   5.560  -1.733
   26   3HG2  VAL   3          HG21      VAL   3   0.051   6.155  -2.975
   27    H    VAL   4           HN       VAL   4   0.728   2.834   1.562
   28    HA   VAL   4           HA       VAL   4   3.469   3.152   2.238
   29    HB   VAL   4           HB       VAL   4   2.016   2.943   4.031
   30   1HG1  VAL   4          HG12      VAL   4   0.720   0.844   2.354
   31   2HG1  VAL   4          HG11      VAL   4   0.559   0.689   4.103
   32   3HG1  VAL   4          HG13      VAL   4  -0.020   2.143   3.291
   33   1HG2  VAL   4          HG23      VAL   4   4.024   1.136   3.916
   34   2HG2  VAL   4          HG22      VAL   4   2.978   1.333   5.317
   35   3HG2  VAL   4          HG21      VAL   4   2.646   0.064   4.144
   36    H    GLN   5           HN       GLN   5   5.118   1.565   2.482
   37    HA   GLN   5           HA       GLN   5   6.498  -0.130   1.571
   38   1HB   GLN   5           HB2      GLN   5   3.861  -1.614   1.615
   39   2HB   GLN   5           HB1      GLN   5   5.476  -2.316   1.708
   40   1HG   GLN   5           HG2      GLN   5   5.412  -0.399   3.752
   41   2HG   GLN   5           HG1      GLN   5   3.845  -1.196   3.832
   42   1HE2  GLN   5          HE22      GLN   5   5.989  -3.322   5.910
   43   2HE2  GLN   5          HE21      GLN   5   5.217  -1.803   6.003
   44    H    ASP   6           HN       ASP   6   6.964   0.692  -0.447
   45    HA   ASP   6           HA       ASP   6   5.260   0.770  -2.737
   46   1HB   ASP   6           HB2      ASP   6   8.213   0.751  -2.173
   47   2HB   ASP   6           HB1      ASP   6   7.655   0.669  -3.846
   48    H    TRP   7           HN       TRP   7   6.984  -1.815  -1.207
   49    HA   TRP   7           HA       TRP   7   6.387  -3.629  -3.519
   50   1HB   TRP   7           HB2      TRP   7   8.305  -4.944  -2.351
   51   2HB   TRP   7           HB1      TRP   7   8.728  -3.495  -3.254
   52    HD1  TRP   7           HD1      TRP   7  10.068  -1.737  -1.985
   53    HE1  TRP   7           HE1      TRP   7  10.619  -1.273   0.487
   54    HE3  TRP   7           HE3      TRP   7   7.145  -5.265   0.234
   55    HZ2  TRP   7           HZ2      TRP   7   9.915  -2.271   3.070
   56    HZ3  TRP   7           HZ3      TRP   7   7.104  -5.497   2.703
   57    HH2  TRP   7           HH2      TRP   7   8.485  -4.004   4.122
   58    H    GLY   8           HN       GLY   8   5.795  -2.931  -0.220
   59   1HA   GLY   8           HA2      GLY   8   4.930  -5.679   0.413
   60   2HA   GLY   8           HA1      GLY   8   4.993  -4.332   1.550
   61    H    HIS   9           HN       HIS   9   3.300  -5.220  -1.465
   62    HA   HIS   9           HA       HIS   9   0.987  -3.553  -0.823
   63   1HB   HIS   9           HB2      HIS   9   1.596  -5.667  -2.911
   64   2HB   HIS   9           HB1      HIS   9   0.115  -4.705  -2.898
   65    HD1  HIS   9           HD1      HIS   9   0.776  -3.479  -5.108
   66    HD2  HIS   9           HD2      HIS   9   3.476  -2.928  -1.982
   67    HE1  HIS   9           HE1      HIS   9   2.292  -1.570  -5.799
   68    H    HIS  10           HN       HIS  10  -0.703  -4.185   0.454
   69    HA   HIS  10           HA       HIS  10  -0.906  -7.040   1.259
   70   1HB   HIS  10           HB2      HIS  10  -1.079  -4.569   2.548
   71   2HB   HIS  10           HB1      HIS  10  -2.746  -5.143   2.480
   72    HD1  HIS  10           HD1      HIS  10  -3.206  -6.219   4.684
   73    HD2  HIS  10           HD2      HIS  10   0.551  -7.269   3.220
   74    HE1  HIS  10           HE1      HIS  10  -2.250  -7.906   6.313
   75    H    ARG  11           HN       ARG  11  -3.462  -4.585   0.850
   76    HA   ARG  11           HA       ARG  11  -4.734  -5.821  -1.419
   77   1HB   ARG  11           HB2      ARG  11  -6.514  -7.019  -0.198
   78   2HB   ARG  11           HB1      ARG  11  -4.926  -7.650   0.235
   79   1HG   ARG  11           HG2      ARG  11  -5.410  -5.507   2.007
   80   2HG   ARG  11           HG1      ARG  11  -6.912  -6.433   1.941
   81   1HD   ARG  11           HD2      ARG  11  -4.144  -7.503   2.591
   82   2HD   ARG  11           HD1      ARG  11  -5.554  -7.439   3.667
   83    HE   ARG  11           HE       ARG  11  -6.679  -9.041   2.110
   84   1HH1  ARG  11          HH21      ARG  11  -3.507  -9.465   2.988
   85   2HH1  ARG  11          HH22      ARG  11  -3.101 -10.576   1.725
   86   1HH2  ARG  11          HH11      ARG  11  -6.064 -10.098  -0.017
   87   2HH2  ARG  11          HH12      ARG  11  -4.539 -10.928   0.018
   88    H    CYS  12           HN       CYS  12  -4.543  -3.227  -1.283
   89    HA   CYS  12           HA       CYS  12  -6.549  -1.831   0.288
   90   1HB   CYS  12           HB2      CYS  12  -4.596  -1.269  -1.887
   91   2HB   CYS  12           HB1      CYS  12  -5.926  -0.127  -1.704
   92    H    THR  13           HN       THR  13  -6.339  -1.742  -3.250
   93    HA   THR  13           HA       THR  13  -9.194  -2.592  -3.467
   94    HB   THR  13           HB       THR  13  -8.282  -0.196  -5.007
   95    HG1  THR  13           HG1      THR  13  -9.185   0.094  -2.360
   96   1HG2  THR  13          HG21      THR  13 -10.825  -1.101  -3.640
   97   2HG2  THR  13          HG23      THR  13 -10.642   0.505  -4.347
   98   3HG2  THR  13          HG22      THR  13 -10.535  -0.926  -5.371
   99   1HN   NH2  14           HT1      NH2  14  -9.552  -3.767  -5.419
  100   2HN   NH2  14           HT2      NH2  14  -8.367  -3.981  -6.627
   
  No H/Q in entry =         100
  Start of MODEL    6
    1   1H    ILE   1           HT2      ILE   1  -6.630   5.051   1.440
    2   2H    ILE   1           HT1      ILE   1  -7.718   4.825   0.155
    3   3H    ILE   1           HT3      ILE   1  -6.990   3.484   0.894
    4    HA   ILE   1           HA       ILE   1  -5.845   3.810  -1.141
    5    HB   ILE   1           HB       ILE   1  -6.462   5.940  -1.825
    6   1HG1  ILE   1          HG12      ILE   1  -3.880   5.540  -1.877
    7   2HG1  ILE   1          HG11      ILE   1  -4.494   7.156  -2.218
    8   1HG2  ILE   1          HG22      ILE   1  -5.745   6.888   0.961
    9   2HG2  ILE   1          HG21      ILE   1  -6.241   7.967  -0.345
   10   3HG2  ILE   1          HG23      ILE   1  -7.359   6.745   0.265
   11   1HD1  ILE   1          HD11      ILE   1  -4.086   6.748   0.638
   12   2HD1  ILE   1          HD13      ILE   1  -2.603   6.476  -0.274
   13   3HD1  ILE   1          HD12      ILE   1  -3.452   8.016  -0.410
   14    H    CYS   2           HN       CYS   2  -3.708   3.154  -1.096
   15    HA   CYS   2           HA       CYS   2  -2.009   4.004   1.213
   16   1HB   CYS   2           HB2      CYS   2  -2.184   1.139   0.281
   17   2HB   CYS   2           HB1      CYS   2  -1.592   1.754   1.821
   18    H    VAL   3           HN       VAL   3  -0.230   4.893   0.221
   19    HA   VAL   3           HA       VAL   3   0.758   3.625  -2.296
   20    HB   VAL   3           HB       VAL   3   0.888   6.386  -1.104
   21   1HG1  VAL   3          HG13      VAL   3   2.599   5.131  -3.227
   22   2HG1  VAL   3          HG12      VAL   3   2.147   6.830  -3.383
   23   3HG1  VAL   3          HG11      VAL   3   3.050   6.281  -1.969
   24   1HG2  VAL   3          HG23      VAL   3  -0.317   5.120  -3.563
   25   2HG2  VAL   3          HG22      VAL   3  -1.108   6.109  -2.337
   26   3HG2  VAL   3          HG21      VAL   3  -0.014   6.855  -3.503
   27    H    VAL   4           HN       VAL   4   1.323   3.358   0.805
   28    HA   VAL   4           HA       VAL   4   4.290   3.575   0.734
   29    HB   VAL   4           HB       VAL   4   3.298   4.517   2.679
   30   1HG1  VAL   4          HG12      VAL   4   1.536   2.098   2.543
   31   2HG1  VAL   4          HG11      VAL   4   1.780   2.895   4.097
   32   3HG1  VAL   4          HG13      VAL   4   1.085   3.792   2.747
   33   1HG2  VAL   4          HG21      VAL   4   5.225   3.018   3.162
   34   2HG2  VAL   4          HG23      VAL   4   4.092   3.102   4.510
   35   3HG2  VAL   4          HG22      VAL   4   4.092   1.696   3.450
   36    H    GLN   5           HN       GLN   5   5.428   1.675   1.848
   37    HA   GLN   5           HA       GLN   5   5.934  -0.640   1.924
   38   1HB   GLN   5           HB2      GLN   5   3.099  -0.273   2.334
   39   2HB   GLN   5           HB1      GLN   5   3.397  -1.774   1.468
   40   1HG   GLN   5           HG2      GLN   5   4.095  -2.749   3.377
   41   2HG   GLN   5           HG1      GLN   5   5.365  -1.533   3.528
   42   1HE2  GLN   5          HE22      GLN   5   2.125  -1.316   5.943
   43   2HE2  GLN   5          HE21      GLN   5   2.355  -2.614   4.861
   44    H    ASP   6           HN       ASP   6   5.940   0.855  -0.540
   45    HA   ASP   6           HA       ASP   6   4.813  -0.177  -2.837
   46   1HB   ASP   6           HB2      ASP   6   7.611   0.712  -2.139
   47   2HB   ASP   6           HB1      ASP   6   7.167   0.316  -3.799
   48    H    TRP   7           HN       TRP   7   7.243  -1.682  -0.802
   49    HA   TRP   7           HA       TRP   7   7.593  -3.955  -2.691
   50   1HB   TRP   7           HB2      TRP   7   9.187  -4.634  -0.736
   51   2HB   TRP   7           HB1      TRP   7   9.641  -3.277  -1.759
   52    HD1  TRP   7           HD1      TRP   7  10.241  -1.162  -0.538
   53    HE1  TRP   7           HE1      TRP   7   9.858  -0.188   1.814
   54    HE3  TRP   7           HE3      TRP   7   7.187  -4.745   1.394
   55    HZ2  TRP   7           HZ2      TRP   7   8.436  -0.849   4.203
   56    HZ3  TRP   7           HZ3      TRP   7   6.325  -4.554   3.711
   57    HH2  TRP   7           HH2      TRP   7   6.946  -2.610   5.118
   58    H    GLY   8           HN       GLY   8   5.743  -3.071   0.018
   59   1HA   GLY   8           HA2      GLY   8   4.976  -5.921   0.445
   60   2HA   GLY   8           HA1      GLY   8   5.104  -4.778   1.783
   61    H    HIS   9           HN       HIS   9   3.347  -5.348  -1.260
   62    HA   HIS   9           HA       HIS   9   1.339  -3.322  -0.680
   63   1HB   HIS   9           HB2      HIS   9   1.746  -5.535  -2.688
   64   2HB   HIS   9           HB1      HIS   9   0.224  -4.640  -2.639
   65    HD1  HIS   9           HD1      HIS   9   2.394  -4.444  -4.982
   66    HD2  HIS   9           HD2      HIS   9   1.895  -1.710  -1.877
   67    HE1  HIS   9           HE1      HIS   9   3.362  -2.249  -5.799
   68    H    HIS  10           HN       HIS  10  -0.995  -3.925  -0.529
   69    HA   HIS  10           HA       HIS  10  -1.452  -6.464   0.995
   70   1HB   HIS  10           HB2      HIS  10  -2.335  -3.621   1.602
   71   2HB   HIS  10           HB1      HIS  10  -2.895  -5.038   2.491
   72    HD1  HIS  10           HD1      HIS  10  -0.536  -6.638   3.120
   73    HD2  HIS  10           HD2      HIS  10  -0.275  -2.478   3.027
   74    HE1  HIS  10           HE1      HIS  10   1.494  -6.017   4.499
   75    H    ARG  11           HN       ARG  11  -3.866  -3.972   0.590
   76    HA   ARG  11           HA       ARG  11  -4.988  -4.854  -1.909
   77   1HB   ARG  11           HB2      ARG  11  -6.857  -6.181  -0.962
   78   2HB   ARG  11           HB1      ARG  11  -5.297  -6.908  -0.574
   79   1HG   ARG  11           HG2      ARG  11  -5.656  -5.181   1.533
   80   2HG   ARG  11           HG1      ARG  11  -7.306  -5.719   1.217
   81   1HD   ARG  11           HD2      ARG  11  -6.700  -8.032   1.485
   82   2HD   ARG  11           HD1      ARG  11  -4.969  -7.636   1.500
   83    HE   ARG  11           HE       ARG  11  -5.374  -6.409   3.636
   84   1HH1  ARG  11          HH11      ARG  11  -8.459  -6.884   2.806
   85   2HH1  ARG  11          HH12      ARG  11  -8.929  -7.838   4.181
   86   1HH2  ARG  11          HH21      ARG  11  -5.674  -8.363   5.256
   87   2HH2  ARG  11          HH22      ARG  11  -7.349  -8.678   5.561
   88    H    CYS  12           HN       CYS  12  -4.631  -2.311  -1.038
   89    HA   CYS  12           HA       CYS  12  -6.970  -1.254   0.367
   90   1HB   CYS  12           HB2      CYS  12  -4.610  -0.089  -1.136
   91   2HB   CYS  12           HB1      CYS  12  -5.846   0.924  -0.383
   92    H    THR  13           HN       THR  13  -6.702  -2.545  -2.640
   93    HA   THR  13           HA       THR  13  -9.060  -1.108  -3.643
   94    HB   THR  13           HB       THR  13  -6.270  -0.761  -4.739
   95    HG1  THR  13           HG1      THR  13  -7.033   0.835  -3.381
   96   1HG2  THR  13          HG23      THR  13  -8.819  -0.933  -6.239
   97   2HG2  THR  13          HG22      THR  13  -7.817   0.472  -6.605
   98   3HG2  THR  13          HG21      THR  13  -7.161  -1.153  -6.802
   99   1HN   NH2  14           HT1      NH2  14 -10.264  -2.834  -4.486
  100   2HN   NH2  14           HT2      NH2  14  -9.614  -4.162  -5.337
   
  No H/Q in entry =         100
  Start of MODEL    7
    1   1H    ILE   1           HT1      ILE   1  -5.301   4.971  -1.367
    2   2H    ILE   1           HT3      ILE   1  -6.489   5.660  -0.371
    3   3H    ILE   1           HT2      ILE   1  -6.039   6.435  -1.815
    4    HA   ILE   1           HA       ILE   1  -4.169   7.328  -0.945
    5    HB   ILE   1           HB       ILE   1  -6.451   7.412   0.578
    6   1HG1  ILE   1          HG12      ILE   1  -4.824   9.240  -0.072
    7   2HG1  ILE   1          HG11      ILE   1  -5.515   9.400   1.544
    8   1HG2  ILE   1          HG22      ILE   1  -5.390   5.624   2.071
    9   2HG2  ILE   1          HG21      ILE   1  -4.235   6.863   2.560
   10   3HG2  ILE   1          HG23      ILE   1  -5.955   7.084   2.885
   11   1HD1  ILE   1          HD11      ILE   1  -3.016   7.818   1.378
   12   2HD1  ILE   1          HD13      ILE   1  -2.846   9.538   1.034
   13   3HD1  ILE   1          HD12      ILE   1  -3.516   9.009   2.577
   14    H    CYS   2           HN       CYS   2  -4.905   4.156   0.328
   15    HA   CYS   2           HA       CYS   2  -2.512   3.822   1.931
   16   1HB   CYS   2           HB2      CYS   2  -3.187   1.405   1.734
   17   2HB   CYS   2           HB1      CYS   2  -4.497   2.460   2.262
   18    H    VAL   3           HN       VAL   3  -0.528   3.983   0.945
   19    HA   VAL   3           HA       VAL   3  -0.021   2.291  -1.452
   20    HB   VAL   3           HB       VAL   3   0.516   5.237  -1.085
   21   1HG1  VAL   3          HG13      VAL   3   1.876   3.216  -2.766
   22   2HG1  VAL   3          HG12      VAL   3   1.389   4.688  -3.609
   23   3HG1  VAL   3          HG11      VAL   3   2.452   4.784  -2.203
   24   1HG2  VAL   3          HG22      VAL   3  -1.692   4.052  -2.095
   25   2HG2  VAL   3          HG21      VAL   3  -1.084   5.589  -2.703
   26   3HG2  VAL   3          HG23      VAL   3  -0.701   4.091  -3.550
   27    H    VAL   4           HN       VAL   4   0.742   2.777   1.560
   28    HA   VAL   4           HA       VAL   4   3.526   3.250   1.761
   29    HB   VAL   4           HB       VAL   4   2.350   3.195   3.774
   30   1HG1  VAL   4          HG11      VAL   4   1.027   0.784   2.589
   31   2HG1  VAL   4          HG13      VAL   4   1.050   0.958   4.344
   32   3HG1  VAL   4          HG12      VAL   4   0.297   2.200   3.344
   33   1HG2  VAL   4          HG23      VAL   4   3.671   0.479   3.546
   34   2HG2  VAL   4          HG22      VAL   4   4.432   1.976   4.086
   35   3HG2  VAL   4          HG21      VAL   4   3.175   1.222   5.067
   36    H    GLN   5           HN       GLN   5   5.214   1.592   2.237
   37    HA   GLN   5           HA       GLN   5   6.566  -0.125   1.339
   38   1HB   GLN   5           HB2      GLN   5   3.915  -1.354   2.065
   39   2HB   GLN   5           HB1      GLN   5   5.251  -2.340   1.472
   40   1HG   GLN   5           HG2      GLN   5   6.663  -1.126   3.291
   41   2HG   GLN   5           HG1      GLN   5   5.104  -0.702   3.997
   42   1HE2  GLN   5          HE22      GLN   5   6.334  -4.065   5.305
   43   2HE2  GLN   5          HE21      GLN   5   7.107  -2.550   5.175
   44    H    ASP   6           HN       ASP   6   6.918   0.448  -0.761
   45    HA   ASP   6           HA       ASP   6   5.045   0.292  -2.931
   46   1HB   ASP   6           HB2      ASP   6   8.064   0.299  -2.712
   47   2HB   ASP   6           HB1      ASP   6   7.228   0.369  -4.262
   48    H    TRP   7           HN       TRP   7   7.541  -1.937  -1.765
   49    HA   TRP   7           HA       TRP   7   6.715  -3.997  -3.737
   50   1HB   TRP   7           HB2      TRP   7   8.662  -5.209  -2.550
   51   2HB   TRP   7           HB1      TRP   7   9.062  -3.774  -3.487
   52    HD1  TRP   7           HD1      TRP   7  10.369  -1.967  -2.269
   53    HE1  TRP   7           HE1      TRP   7  10.938  -1.443   0.191
   54    HE3  TRP   7           HE3      TRP   7   7.521  -5.496   0.056
   55    HZ2  TRP   7           HZ2      TRP   7  10.271  -2.403   2.804
   56    HZ3  TRP   7           HZ3      TRP   7   7.503  -5.676   2.529
   57    HH2  TRP   7           HH2      TRP   7   8.873  -4.134   3.905
   58    H    GLY   8           HN       GLY   8   6.134  -3.091  -0.489
   59   1HA   GLY   8           HA2      GLY   8   4.990  -5.787   0.099
   60   2HA   GLY   8           HA1      GLY   8   5.584  -4.685   1.342
   61    H    HIS   9           HN       HIS   9   3.144  -4.843  -1.263
   62    HA   HIS   9           HA       HIS   9   1.520  -2.718  -0.072
   63   1HB   HIS   9           HB2      HIS   9   1.443  -4.586  -2.407
   64   2HB   HIS   9           HB1      HIS   9  -0.091  -3.883  -1.883
   65    HD1  HIS   9           HD1      HIS   9   0.850  -2.973  -4.575
   66    HD2  HIS   9           HD2      HIS   9   2.058  -1.062  -1.073
   67    HE1  HIS   9           HE1      HIS   9   1.553  -0.634  -5.243
   68    H    HIS  10           HN       HIS  10  -1.014  -3.492   0.059
   69    HA   HIS  10           HA       HIS  10  -1.064  -5.921   1.822
   70   1HB   HIS  10           HB2      HIS  10  -2.337  -3.189   2.092
   71   2HB   HIS  10           HB1      HIS  10  -2.872  -4.574   3.046
   72    HD1  HIS  10           HD1      HIS  10   0.333  -5.571   2.998
   73    HD2  HIS  10           HD2      HIS  10  -1.332  -2.115   4.631
   74    HE1  HIS  10           HE1      HIS  10   1.956  -4.761   4.763
   75    H    ARG  11           HN       ARG  11  -3.981  -4.136   1.292
   76    HA   ARG  11           HA       ARG  11  -4.813  -5.744  -1.040
   77   1HB   ARG  11           HB2      ARG  11  -6.755  -6.646   0.402
   78   2HB   ARG  11           HB1      ARG  11  -5.164  -7.359   0.674
   79   1HG   ARG  11           HG2      ARG  11  -4.845  -6.209   2.688
   80   2HG   ARG  11           HG1      ARG  11  -6.034  -4.969   2.279
   81   1HD   ARG  11           HD2      ARG  11  -7.419  -6.176   3.649
   82   2HD   ARG  11           HD1      ARG  11  -7.576  -7.256   2.252
   83    HE   ARG  11           HE       ARG  11  -5.177  -7.895   3.689
   84   1HH1  ARG  11          HH21      ARG  11  -8.135  -7.514   5.124
   85   2HH1  ARG  11          HH22      ARG  11  -8.364  -9.174   5.555
   86   1HH2  ARG  11          HH11      ARG  11  -5.667 -10.306   3.691
   87   2HH2  ARG  11          HH12      ARG  11  -6.967 -10.755   4.752
   88    H    CYS  12           HN       CYS  12  -4.725  -3.119  -1.242
   89    HA   CYS  12           HA       CYS  12  -7.078  -1.721  -0.223
   90   1HB   CYS  12           HB2      CYS  12  -4.907  -1.145  -2.260
   91   2HB   CYS  12           HB1      CYS  12  -6.164   0.026  -1.845
   92    H    THR  13           HN       THR  13  -6.356  -1.320  -3.603
   93    HA   THR  13           HA       THR  13  -8.711  -2.933  -4.434
   94    HB   THR  13           HB       THR  13  -9.116  -0.422  -3.693
   95    HG1  THR  13           HG1      THR  13 -10.935  -0.874  -4.594
   96   1HG2  THR  13          HG22      THR  13  -7.313   0.375  -5.308
   97   2HG2  THR  13          HG21      THR  13  -8.430  -0.038  -6.610
   98   3HG2  THR  13          HG23      THR  13  -8.869   1.198  -5.429
   99   1HN   NH2  14           HT1      NH2  14  -5.537  -2.123  -5.010
  100   2HN   NH2  14           HT2      NH2  14  -5.484  -2.331  -6.697
   
  No H/Q in entry =         100
  Start of MODEL    8
    1   1H    ILE   1           HT2      ILE   1  -5.995   3.855  -1.425
    2   2H    ILE   1           HT1      ILE   1  -6.610   4.445   0.043
    3   3H    ILE   1           HT3      ILE   1  -7.194   5.058  -1.425
    4    HA   ILE   1           HA       ILE   1  -5.105   6.119  -1.905
    5    HB   ILE   1           HB       ILE   1  -6.857   7.124  -0.376
    6   1HG1  ILE   1          HG12      ILE   1  -5.416   8.922   0.397
    7   2HG1  ILE   1          HG11      ILE   1  -4.004   7.869   0.331
    8   1HG2  ILE   1          HG23      ILE   1  -5.454   5.425   1.504
    9   2HG2  ILE   1          HG22      ILE   1  -5.417   7.100   2.050
   10   3HG2  ILE   1          HG21      ILE   1  -6.961   6.311   1.726
   11   1HD1  ILE   1          HD12      ILE   1  -5.502   8.007  -2.198
   12   2HD1  ILE   1          HD11      ILE   1  -4.795   9.545  -1.699
   13   3HD1  ILE   1          HD13      ILE   1  -3.765   8.128  -1.910
   14    H    CYS   2           HN       CYS   2  -4.964   3.621   0.438
   15    HA   CYS   2           HA       CYS   2  -2.424   4.249   1.647
   16   1HB   CYS   2           HB2      CYS   2  -2.483   1.661   2.051
   17   2HB   CYS   2           HB1      CYS   2  -3.696   2.674   2.821
   18    H    VAL   3           HN       VAL   3  -0.604   4.479   0.479
   19    HA   VAL   3           HA       VAL   3  -0.051   2.530  -1.725
   20    HB   VAL   3           HB       VAL   3   0.569   5.457  -1.325
   21   1HG1  VAL   3          HG13      VAL   3   1.789   3.461  -3.230
   22   2HG1  VAL   3          HG12      VAL   3   1.690   5.172  -3.649
   23   3HG1  VAL   3          HG11      VAL   3   2.599   4.665  -2.226
   24   1HG2  VAL   3          HG23      VAL   3  -1.230   3.832  -3.039
   25   2HG2  VAL   3          HG22      VAL   3  -1.442   5.470  -2.415
   26   3HG2  VAL   3          HG21      VAL   3  -0.431   5.191  -3.834
   27    H    VAL   4           HN       VAL   4   0.638   2.991   1.303
   28    HA   VAL   4           HA       VAL   4   3.415   3.332   1.646
   29    HB   VAL   4           HB       VAL   4   2.054   3.308   3.562
   30   1HG1  VAL   4          HG12      VAL   4   0.861   0.858   2.307
   31   2HG1  VAL   4          HG11      VAL   4   0.722   1.081   4.051
   32   3HG1  VAL   4          HG13      VAL   4   0.051   2.284   2.950
   33   1HG2  VAL   4          HG22      VAL   4   4.159   2.059   3.931
   34   2HG2  VAL   4          HG21      VAL   4   2.858   1.450   4.951
   35   3HG2  VAL   4          HG23      VAL   4   3.334   0.560   3.506
   36    H    GLN   5           HN       GLN   5   4.924   1.500   2.327
   37    HA   GLN   5           HA       GLN   5   6.242  -0.289   1.514
   38   1HB   GLN   5           HB2      GLN   5   3.432  -1.348   1.788
   39   2HB   GLN   5           HB1      GLN   5   4.813  -2.388   1.444
   40   1HG   GLN   5           HG2      GLN   5   5.780  -2.036   3.527
   41   2HG   GLN   5           HG1      GLN   5   4.995  -0.468   3.737
   42   1HE2  GLN   5          HE22      GLN   5   3.297  -3.587   5.478
   43   2HE2  GLN   5          HE21      GLN   5   4.942  -3.476   5.037
   44    H    ASP   6           HN       ASP   6   6.812   0.438  -0.546
   45    HA   ASP   6           HA       ASP   6   5.084   0.174  -2.886
   46   1HB   ASP   6           HB2      ASP   6   7.581   1.338  -2.108
   47   2HB   ASP   6           HB1      ASP   6   7.864   0.337  -3.531
   48    H    TRP   7           HN       TRP   7   7.214  -1.866  -1.129
   49    HA   TRP   7           HA       TRP   7   7.318  -3.873  -3.354
   50   1HB   TRP   7           HB2      TRP   7   9.145  -4.761  -1.626
   51   2HB   TRP   7           HB1      TRP   7   9.528  -3.465  -2.753
   52    HD1  TRP   7           HD1      TRP   7  10.225  -1.229  -1.769
   53    HE1  TRP   7           HE1      TRP   7  10.349  -0.213   0.594
   54    HE3  TRP   7           HE3      TRP   7   7.831  -4.869   0.841
   55    HZ2  TRP   7           HZ2      TRP   7   9.530  -0.873   3.254
   56    HZ3  TRP   7           HZ3      TRP   7   7.508  -4.663   3.291
   57    HH2  TRP   7           HH2      TRP   7   8.353  -2.669   4.500
   58    H    GLY   8           HN       GLY   8   5.967  -3.145  -0.318
   59   1HA   GLY   8           HA2      GLY   8   5.152  -5.988   0.028
   60   2HA   GLY   8           HA1      GLY   8   5.532  -4.948   1.401
   61    H    HIS   9           HN       HIS   9   3.290  -5.266  -1.348
   62    HA   HIS   9           HA       HIS   9   1.451  -3.242  -0.329
   63   1HB   HIS   9           HB2      HIS   9   0.798  -5.453  -2.279
   64   2HB   HIS   9           HB1      HIS   9   0.208  -3.791  -2.265
   65    HD1  HIS   9           HD1      HIS   9   1.658  -5.171  -4.733
   66    HD2  HIS   9           HD2      HIS   9   3.475  -2.601  -2.001
   67    HE1  HIS   9           HE1      HIS   9   3.672  -4.189  -5.909
   68    H    HIS  10           HN       HIS  10  -1.010  -4.206  -0.272
   69    HA   HIS  10           HA       HIS  10  -1.126  -6.731   1.289
   70   1HB   HIS  10           HB2      HIS  10  -1.024  -4.115   2.421
   71   2HB   HIS  10           HB1      HIS  10  -2.668  -4.717   2.639
   72    HD1  HIS  10           HD1      HIS  10  -3.029  -6.510   4.385
   73    HD2  HIS  10           HD2      HIS  10   1.012  -5.899   3.559
   74    HE1  HIS  10           HE1      HIS  10  -1.735  -7.879   6.081
   75    H    ARG  11           HN       ARG  11  -3.353  -3.990   0.987
   76    HA   ARG  11           HA       ARG  11  -4.975  -5.151  -1.103
   77   1HB   ARG  11           HB2      ARG  11  -6.875  -5.787   0.426
   78   2HB   ARG  11           HB1      ARG  11  -5.439  -6.791   0.637
   79   1HG   ARG  11           HG2      ARG  11  -5.296  -4.430   2.311
   80   2HG   ARG  11           HG1      ARG  11  -6.773  -5.337   2.634
   81   1HD   ARG  11           HD2      ARG  11  -3.941  -6.443   2.667
   82   2HD   ARG  11           HD1      ARG  11  -5.013  -6.230   4.066
   83    HE   ARG  11           HE       ARG  11  -6.554  -7.756   2.394
   84   1HH1  ARG  11          HH21      ARG  11  -4.753  -9.201   0.919
   85   2HH1  ARG  11          HH22      ARG  11  -4.062 -10.389   1.971
   86   1HH2  ARG  11          HH11      ARG  11  -5.039  -8.770   4.878
   87   2HH2  ARG  11          HH12      ARG  11  -4.216 -10.143   4.208
   88    H    CYS  12           HN       CYS  12  -4.817  -2.880  -1.742
   89    HA   CYS  12           HA       CYS  12  -6.254  -0.938   0.001
   90   1HB   CYS  12           HB2      CYS  12  -4.278  -0.806  -2.269
   91   2HB   CYS  12           HB1      CYS  12  -5.211   0.623  -1.815
   92    H    THR  13           HN       THR  13  -5.975  -1.246  -3.542
   93    HA   THR  13           HA       THR  13  -8.908  -0.685  -3.756
   94    HB   THR  13           HB       THR  13  -7.168  -0.667  -6.149
   95    HG1  THR  13           HG1      THR  13  -5.680   0.530  -5.331
   96   1HG2  THR  13          HG23      THR  13  -9.298   1.024  -4.891
   97   2HG2  THR  13          HG22      THR  13  -8.233   1.752  -6.094
   98   3HG2  THR  13          HG21      THR  13  -9.219   0.353  -6.521
   99   1HN   NH2  14           HT1      NH2  14 -10.037  -2.678  -3.895
  100   2HN   NH2  14           HT2      NH2  14  -9.582  -3.972  -4.911
   
  No H/Q in entry =         100
  Start of MODEL    9
    1   1H    ILE   1           HT2      ILE   1  -7.141   4.425   0.747
    2   2H    ILE   1           HT1      ILE   1  -7.884   5.756   0.000
    3   3H    ILE   1           HT3      ILE   1  -7.646   4.319  -0.870
    4    HA   ILE   1           HA       ILE   1  -5.790   5.289  -1.657
    5    HB   ILE   1           HB       ILE   1  -6.667   7.426  -0.863
    6   1HG1  ILE   1          HG12      ILE   1  -3.843   7.322   0.185
    7   2HG1  ILE   1          HG11      ILE   1  -4.166   7.064  -1.530
    8   1HG2  ILE   1          HG22      ILE   1  -5.521   6.533   1.800
    9   2HG2  ILE   1          HG21      ILE   1  -6.045   8.184   1.464
   10   3HG2  ILE   1          HG23      ILE   1  -7.212   6.864   1.425
   11   1HD1  ILE   1          HD13      ILE   1  -5.473   9.409  -0.224
   12   2HD1  ILE   1          HD12      ILE   1  -3.741   9.514  -0.539
   13   3HD1  ILE   1          HD11      ILE   1  -4.863   9.235  -1.870
   14    H    CYS   2           HN       CYS   2  -3.686   4.509  -1.464
   15    HA   CYS   2           HA       CYS   2  -2.361   4.151   1.102
   16   1HB   CYS   2           HB2      CYS   2  -2.401   1.633   0.945
   17   2HB   CYS   2           HB1      CYS   2  -3.982   2.349   1.255
   18    H    VAL   3           HN       VAL   3  -0.271   4.575   0.503
   19    HA   VAL   3           HA       VAL   3   0.763   3.338  -2.020
   20    HB   VAL   3           HB       VAL   3   1.065   6.107  -0.867
   21   1HG1  VAL   3          HG11      VAL   3   2.771   4.612  -2.825
   22   2HG1  VAL   3          HG13      VAL   3   2.503   6.336  -3.083
   23   3HG1  VAL   3          HG12      VAL   3   3.248   5.774  -1.587
   24   1HG2  VAL   3          HG22      VAL   3  -0.219   4.879  -3.276
   25   2HG2  VAL   3          HG21      VAL   3  -0.806   6.178  -2.238
   26   3HG2  VAL   3          HG23      VAL   3   0.450   6.502  -3.432
   27    H    VAL   4           HN       VAL   4   0.912   2.997   1.069
   28    HA   VAL   4           HA       VAL   4   3.697   3.333   1.790
   29    HB   VAL   4           HB       VAL   4   2.104   3.272   3.537
   30   1HG1  VAL   4          HG12      VAL   4   0.912   1.169   1.875
   31   2HG1  VAL   4          HG11      VAL   4   0.871   0.803   3.597
   32   3HG1  VAL   4          HG13      VAL   4   0.134   2.286   2.996
   33   1HG2  VAL   4          HG22      VAL   4   4.151   1.982   4.052
   34   2HG2  VAL   4          HG21      VAL   4   2.749   1.329   4.897
   35   3HG2  VAL   4          HG23      VAL   4   3.365   0.518   3.458
   36    H    GLN   5           HN       GLN   5   5.039   1.413   2.453
   37    HA   GLN   5           HA       GLN   5   6.359  -0.375   1.596
   38   1HB   GLN   5           HB2      GLN   5   3.525  -1.317   1.911
   39   2HB   GLN   5           HB1      GLN   5   4.802  -2.422   1.410
   40   1HG   GLN   5           HG2      GLN   5   6.119  -1.685   3.434
   41   2HG   GLN   5           HG1      GLN   5   4.682  -0.815   3.972
   42   1HE2  GLN   5          HE22      GLN   5   4.914  -4.626   4.955
   43   2HE2  GLN   5          HE21      GLN   5   6.233  -3.591   4.644
   44    H    ASP   6           HN       ASP   6   6.911   0.474  -0.441
   45    HA   ASP   6           HA       ASP   6   5.259   0.274  -2.805
   46   1HB   ASP   6           HB2      ASP   6   7.494   1.604  -2.047
   47   2HB   ASP   6           HB1      ASP   6   8.224   0.304  -2.990
   48    H    TRP   7           HN       TRP   7   7.235  -1.968  -1.075
   49    HA   TRP   7           HA       TRP   7   7.161  -3.886  -3.381
   50   1HB   TRP   7           HB2      TRP   7   9.114  -4.876  -1.945
   51   2HB   TRP   7           HB1      TRP   7   9.415  -3.438  -2.912
   52    HD1  TRP   7           HD1      TRP   7  10.379  -1.450  -1.673
   53    HE1  TRP   7           HE1      TRP   7  10.629  -0.746   0.793
   54    HE3  TRP   7           HE3      TRP   7   7.735  -5.176   0.549
   55    HZ2  TRP   7           HZ2      TRP   7   9.800  -1.656   3.380
   56    HZ3  TRP   7           HZ3      TRP   7   7.470  -5.247   3.013
   57    HH2  TRP   7           HH2      TRP   7   8.499  -3.490   4.430
   58    H    GLY   8           HN       GLY   8   6.023  -3.211  -0.264
   59   1HA   GLY   8           HA2      GLY   8   5.279  -6.062   0.167
   60   2HA   GLY   8           HA1      GLY   8   5.602  -4.942   1.492
   61    H    HIS   9           HN       HIS   9   3.398  -5.594  -1.187
   62    HA   HIS   9           HA       HIS   9   1.466  -3.550  -0.428
   63   1HB   HIS   9           HB2      HIS   9   0.972  -6.004  -2.123
   64   2HB   HIS   9           HB1      HIS   9   0.260  -4.398  -2.289
   65    HD1  HIS   9           HD1      HIS   9   1.857  -5.878  -4.595
   66    HD2  HIS   9           HD2      HIS   9   3.426  -2.962  -2.062
   67    HE1  HIS   9           HE1      HIS   9   3.830  -4.857  -5.811
   68    H    HIS  10           HN       HIS  10  -0.746  -4.040   0.279
   69    HA   HIS  10           HA       HIS  10  -0.934  -6.499   1.992
   70   1HB   HIS  10           HB2      HIS  10  -0.944  -3.764   2.653
   71   2HB   HIS  10           HB1      HIS  10  -2.627  -4.275   2.780
   72    HD1  HIS  10           HD1      HIS  10  -2.614  -4.260   5.372
   73    HD2  HIS  10           HD2      HIS  10   0.224  -6.815   3.701
   74    HE1  HIS  10           HE1      HIS  10  -1.757  -5.710   7.262
   75    H    ARG  11           HN       ARG  11  -3.335  -4.034   1.079
   76    HA   ARG  11           HA       ARG  11  -4.689  -5.557  -0.889
   77   1HB   ARG  11           HB2      ARG  11  -6.039  -6.936   0.330
   78   2HB   ARG  11           HB1      ARG  11  -4.857  -6.688   1.605
   79   1HG   ARG  11           HG2      ARG  11  -7.086  -4.711   1.389
   80   2HG   ARG  11           HG1      ARG  11  -7.458  -6.304   2.011
   81   1HD   ARG  11           HD2      ARG  11  -6.303  -5.967   3.951
   82   2HD   ARG  11           HD1      ARG  11  -5.012  -5.060   3.139
   83    HE   ARG  11           HE       ARG  11  -7.714  -3.885   3.693
   84   1HH1  ARG  11          HH21      ARG  11  -4.601  -3.379   2.469
   85   2HH1  ARG  11          HH22      ARG  11  -4.354  -1.863   3.268
   86   1HH2  ARG  11          HH11      ARG  11  -7.282  -2.053   5.117
   87   2HH2  ARG  11          HH12      ARG  11  -5.874  -1.103   4.753
   88    H    CYS  12           HN       CYS  12  -5.360  -3.819  -1.984
   89    HA   CYS  12           HA       CYS  12  -6.862  -1.671  -0.542
   90   1HB   CYS  12           HB2      CYS  12  -4.459  -1.629  -2.309
   91   2HB   CYS  12           HB1      CYS  12  -5.613  -0.306  -2.493
   92    H    THR  13           HN       THR  13  -7.715  -0.144  -2.590
   93    HA   THR  13           HA       THR  13  -9.218  -2.049  -4.358
   94    HB   THR  13           HB       THR  13 -10.967  -0.296  -4.299
   95    HG1  THR  13           HG1      THR  13  -9.573   1.068  -2.316
   96   1HG2  THR  13          HG22      THR  13  -9.840  -1.202  -1.645
   97   2HG2  THR  13          HG21      THR  13 -11.402  -0.397  -1.797
   98   3HG2  THR  13          HG23      THR  13 -11.131  -1.953  -2.582
   99   1HN   NH2  14           HT1      NH2  14 -10.151   0.555  -5.774
  100   2HN   NH2  14           HT2      NH2  14  -8.875   0.917  -6.844
   
  No H/Q in entry =         100
  Start of MODEL   10
    1   1H    ILE   1           HT3      ILE   1  -6.535   3.292  -0.666
    2   2H    ILE   1           HT2      ILE   1  -7.229   4.347   0.470
    3   3H    ILE   1           HT1      ILE   1  -7.706   4.415  -1.159
    4    HA   ILE   1           HA       ILE   1  -5.557   5.219  -1.831
    5    HB   ILE   1           HB       ILE   1  -7.411   6.694  -0.976
    6   1HG1  ILE   1          HG12      ILE   1  -5.267   7.590  -1.954
    7   2HG1  ILE   1          HG11      ILE   1  -6.038   8.688  -0.810
    8   1HG2  ILE   1          HG22      ILE   1  -6.553   5.757   1.509
    9   2HG2  ILE   1          HG21      ILE   1  -6.016   7.437   1.470
   10   3HG2  ILE   1          HG23      ILE   1  -7.719   7.050   1.226
   11   1HD1  ILE   1          HD13      ILE   1  -4.517   7.528   0.964
   12   2HD1  ILE   1          HD12      ILE   1  -3.577   6.995  -0.430
   13   3HD1  ILE   1          HD11      ILE   1  -3.794   8.715  -0.119
   14    H    CYS   2           HN       CYS   2  -3.793   3.816  -1.299
   15    HA   CYS   2           HA       CYS   2  -2.203   4.716   1.020
   16   1HB   CYS   2           HB2      CYS   2  -1.990   1.957   1.258
   17   2HB   CYS   2           HB1      CYS   2  -2.939   2.999   2.309
   18    H    VAL   3           HN       VAL   3  -0.151   4.923   0.297
   19    HA   VAL   3           HA       VAL   3   0.737   3.217  -1.996
   20    HB   VAL   3           HB       VAL   3   1.194   6.075  -1.181
   21   1HG1  VAL   3          HG13      VAL   3   2.941   4.295  -2.840
   22   2HG1  VAL   3          HG12      VAL   3   2.746   5.978  -3.333
   23   3HG1  VAL   3          HG11      VAL   3   3.393   5.595  -1.738
   24   1HG2  VAL   3          HG23      VAL   3  -0.671   5.068  -2.803
   25   2HG2  VAL   3          HG22      VAL   3   0.103   6.613  -3.153
   26   3HG2  VAL   3          HG21      VAL   3   0.646   5.147  -3.973
   27    H    VAL   4           HN       VAL   4   1.019   3.325   1.148
   28    HA   VAL   4           HA       VAL   4   3.830   3.487   1.719
   29    HB   VAL   4           HB       VAL   4   2.348   3.656   3.541
   30   1HG1  VAL   4          HG12      VAL   4   1.005   1.300   2.257
   31   2HG1  VAL   4          HG11      VAL   4   0.767   1.594   3.979
   32   3HG1  VAL   4          HG13      VAL   4   0.298   2.822   2.804
   33   1HG2  VAL   4          HG22      VAL   4   4.286   2.223   4.079
   34   2HG2  VAL   4          HG21      VAL   4   2.865   1.740   5.004
   35   3HG2  VAL   4          HG23      VAL   4   3.362   0.799   3.598
   36    H    GLN   5           HN       GLN   5   5.081   1.535   2.517
   37    HA   GLN   5           HA       GLN   5   6.223  -0.435   1.889
   38   1HB   GLN   5           HB2      GLN   5   3.328  -0.977   2.155
   39   2HB   GLN   5           HB1      GLN   5   4.286  -2.225   1.360
   40   1HG   GLN   5           HG2      GLN   5   5.740  -2.451   3.239
   41   2HG   GLN   5           HG1      GLN   5   5.100  -0.991   3.992
   42   1HE2  GLN   5          HE22      GLN   5   3.006  -3.145   5.871
   43   2HE2  GLN   5          HE21      GLN   5   4.296  -2.029   5.911
   44    H    ASP   6           HN       ASP   6   7.117   0.267  -0.059
   45    HA   ASP   6           HA       ASP   6   5.734   0.150  -2.620
   46   1HB   ASP   6           HB2      ASP   6   8.452   0.684  -1.518
   47   2HB   ASP   6           HB1      ASP   6   8.363   0.215  -3.217
   48    H    TRP   7           HN       TRP   7   7.288  -2.095  -0.551
   49    HA   TRP   7           HA       TRP   7   7.495  -4.124  -2.747
   50   1HB   TRP   7           HB2      TRP   7   9.050  -5.166  -0.909
   51   2HB   TRP   7           HB1      TRP   7   9.648  -3.819  -1.870
   52    HD1  TRP   7           HD1      TRP   7  10.544  -1.856  -0.574
   53    HE1  TRP   7           HE1      TRP   7  10.403  -1.005   1.851
   54    HE3  TRP   7           HE3      TRP   7   7.187  -5.182   1.303
   55    HZ2  TRP   7           HZ2      TRP   7   9.033  -1.656   4.277
   56    HZ3  TRP   7           HZ3      TRP   7   6.475  -5.055   3.677
   57    HH2  TRP   7           HH2      TRP   7   7.393  -3.294   5.164
   58    H    GLY   8           HN       GLY   8   5.906  -3.203   0.117
   59   1HA   GLY   8           HA2      GLY   8   4.927  -5.976   0.574
   60   2HA   GLY   8           HA1      GLY   8   4.911  -4.697   1.792
   61    H    HIS   9           HN       HIS   9   3.572  -5.492  -1.407
   62    HA   HIS   9           HA       HIS   9   1.453  -3.497  -1.214
   63   1HB   HIS   9           HB2      HIS   9   1.453  -5.905  -3.025
   64   2HB   HIS   9           HB1      HIS   9   0.891  -4.270  -3.365
   65    HD1  HIS   9           HD1      HIS   9   3.011  -5.842  -5.122
   66    HD2  HIS   9           HD2      HIS   9   3.920  -2.973  -2.237
   67    HE1  HIS   9           HE1      HIS   9   5.302  -4.939  -5.709
   68    H    HIS  10           HN       HIS  10  -0.585  -3.794  -0.381
   69    HA   HIS  10           HA       HIS  10  -1.317  -6.545   0.558
   70   1HB   HIS  10           HB2      HIS  10  -1.869  -3.744   1.558
   71   2HB   HIS  10           HB1      HIS  10  -2.796  -5.131   2.133
   72    HD1  HIS  10           HD1      HIS  10  -1.492  -4.286   4.455
   73    HD2  HIS  10           HD2      HIS  10   0.779  -6.265   1.574
   74    HE1  HIS  10           HE1      HIS  10   0.604  -5.097   5.626
   75    H    ARG  11           HN       ARG  11  -3.838  -4.266   0.742
   76    HA   ARG  11           HA       ARG  11  -4.846  -4.717  -1.995
   77   1HB   ARG  11           HB2      ARG  11  -6.938  -5.455  -0.131
   78   2HB   ARG  11           HB1      ARG  11  -6.300  -6.376  -1.484
   79   1HG   ARG  11           HG2      ARG  11  -5.940  -7.741   0.422
   80   2HG   ARG  11           HG1      ARG  11  -4.368  -7.034   0.083
   81   1HD   ARG  11           HD2      ARG  11  -5.103  -5.161   1.758
   82   2HD   ARG  11           HD1      ARG  11  -6.302  -6.356   2.290
   83    HE   ARG  11           HE       ARG  11  -3.658  -7.526   2.021
   84   1HH1  ARG  11          HH11      ARG  11  -6.053  -6.215   4.101
   85   2HH1  ARG  11          HH12      ARG  11  -5.112  -6.429   5.544
   86   1HH2  ARG  11          HH21      ARG  11  -2.304  -7.575   3.868
   87   2HH2  ARG  11          HH22      ARG  11  -2.996  -7.193   5.410
   88    H    CYS  12           HN       CYS  12  -4.592  -2.314  -1.841
   89    HA   CYS  12           HA       CYS  12  -6.123  -0.762   0.062
   90   1HB   CYS  12           HB2      CYS  12  -4.741  -0.263  -2.578
   91   2HB   CYS  12           HB1      CYS  12  -5.635   1.025  -1.765
   92    H    THR  13           HN       THR  13  -7.045  -2.593  -2.655
   93    HA   THR  13           HA       THR  13  -9.712  -1.244  -2.675
   94    HB   THR  13           HB       THR  13  -8.730  -2.214  -5.282
   95    HG1  THR  13           HG1      THR  13  -7.091  -0.870  -5.481
   96   1HG2  THR  13          HG23      THR  13 -10.643  -0.441  -4.282
   97   2HG2  THR  13          HG22      THR  13  -9.433   0.597  -5.036
   98   3HG2  THR  13          HG21      THR  13 -10.217  -0.674  -5.976
   99   1HN   NH2  14           HT1      NH2  14 -11.027  -2.951  -1.921
  100   2HN   NH2  14           HT2      NH2  14 -10.964  -4.553  -2.506
   
  No H/Q in entry =         100
  Start of MODEL   11
    1   1H    ILE   1           HT3      ILE   1  -4.128   6.552  -1.746
    2   2H    ILE   1           HT2      ILE   1  -5.539   5.608  -1.656
    3   3H    ILE   1           HT1      ILE   1  -5.651   7.299  -1.775
    4    HA   ILE   1           HA       ILE   1  -4.855   7.627   0.403
    5    HB   ILE   1           HB       ILE   1  -7.197   6.489  -0.248
    6   1HG1  ILE   1          HG12      ILE   1  -6.615   8.094   1.639
    7   2HG1  ILE   1          HG11      ILE   1  -7.940   6.979   1.976
    8   1HG2  ILE   1          HG22      ILE   1  -6.199   4.181   0.042
    9   2HG2  ILE   1          HG21      ILE   1  -6.058   4.530   1.765
   10   3HG2  ILE   1          HG23      ILE   1  -7.648   4.479   1.001
   11   1HD1  ILE   1          HD13      ILE   1  -6.368   5.475   3.150
   12   2HD1  ILE   1          HD12      ILE   1  -5.053   6.605   2.832
   13   3HD1  ILE   1          HD11      ILE   1  -6.385   7.078   3.887
   14    H    CYS   2           HN       CYS   2  -4.291   4.365  -0.803
   15    HA   CYS   2           HA       CYS   2  -2.400   3.911   1.483
   16   1HB   CYS   2           HB2      CYS   2  -2.846   1.507   1.022
   17   2HB   CYS   2           HB1      CYS   2  -4.316   2.391   1.441
   18    H    VAL   3           HN       VAL   3  -0.405   4.390   0.698
   19    HA   VAL   3           HA       VAL   3   0.461   3.064  -1.822
   20    HB   VAL   3           HB       VAL   3   0.266   5.909  -1.105
   21   1HG1  VAL   3          HG12      VAL   3   2.793   4.807  -2.360
   22   2HG1  VAL   3          HG11      VAL   3   2.298   6.493  -2.515
   23   3HG1  VAL   3          HG13      VAL   3   2.664   5.823  -0.924
   24   1HG2  VAL   3          HG21      VAL   3  -0.639   4.377  -3.136
   25   2HG2  VAL   3          HG23      VAL   3  -0.368   6.112  -3.304
   26   3HG2  VAL   3          HG22      VAL   3   0.852   4.972  -3.869
   27    H    VAL   4           HN       VAL   4   0.867   3.252   1.337
   28    HA   VAL   4           HA       VAL   4   3.692   3.590   1.713
   29    HB   VAL   4           HB       VAL   4   2.404   3.756   3.649
   30   1HG1  VAL   4          HG13      VAL   4   0.901   1.476   2.469
   31   2HG1  VAL   4          HG12      VAL   4   0.929   1.588   4.229
   32   3HG1  VAL   4          HG11      VAL   4   0.294   2.926   3.271
   33   1HG2  VAL   4          HG22      VAL   4   4.411   2.112   3.794
   34   2HG2  VAL   4          HG21      VAL   4   3.268   2.158   5.135
   35   3HG2  VAL   4          HG23      VAL   4   3.173   0.863   3.941
   36    H    GLN   5           HN       GLN   5   5.240   1.921   2.161
   37    HA   GLN   5           HA       GLN   5   6.425  -0.015   1.522
   38   1HB   GLN   5           HB2      GLN   5   3.620  -0.873   2.134
   39   2HB   GLN   5           HB1      GLN   5   4.797  -2.054   1.563
   40   1HG   GLN   5           HG2      GLN   5   6.177  -1.788   3.432
   41   2HG   GLN   5           HG1      GLN   5   5.521  -0.196   3.808
   42   1HE2  GLN   5          HE22      GLN   5   4.033  -2.605   6.233
   43   2HE2  GLN   5          HE21      GLN   5   5.608  -2.060   5.872
   44    H    ASP   6           HN       ASP   6   6.988   0.432  -0.590
   45    HA   ASP   6           HA       ASP   6   5.165   0.168  -2.856
   46   1HB   ASP   6           HB2      ASP   6   7.754   1.181  -2.235
   47   2HB   ASP   6           HB1      ASP   6   7.950   0.015  -3.542
   48    H    TRP   7           HN       TRP   7   7.247  -1.917  -1.054
   49    HA   TRP   7           HA       TRP   7   7.022  -4.070  -3.123
   50   1HB   TRP   7           HB2      TRP   7   8.903  -5.023  -1.565
   51   2HB   TRP   7           HB1      TRP   7   9.297  -3.698  -2.656
   52    HD1  TRP   7           HD1      TRP   7  10.365  -1.669  -1.591
   53    HE1  TRP   7           HE1      TRP   7  10.605  -0.733   0.799
   54    HE3  TRP   7           HE3      TRP   7   7.472  -5.008   0.950
   55    HZ2  TRP   7           HZ2      TRP   7   9.688  -1.327   3.439
   56    HZ3  TRP   7           HZ3      TRP   7   7.165  -4.802   3.403
   57    HH2  TRP   7           HH2      TRP   7   8.272  -2.967   4.649
   58    H    GLY   8           HN       GLY   8   6.038  -3.047  -0.004
   59   1HA   GLY   8           HA2      GLY   8   5.163  -5.799   0.723
   60   2HA   GLY   8           HA1      GLY   8   5.359  -4.468   1.866
   61    H    HIS   9           HN       HIS   9   3.485  -5.270  -1.068
   62    HA   HIS   9           HA       HIS   9   1.310  -3.455  -0.207
   63   1HB   HIS   9           HB2      HIS   9   2.068  -5.045  -2.644
   64   2HB   HIS   9           HB1      HIS   9   0.421  -4.427  -2.486
   65    HD1  HIS   9           HD1      HIS   9   0.189  -2.228  -3.616
   66    HD2  HIS   9           HD2      HIS   9   3.974  -2.675  -1.932
   67    HE1  HIS   9           HE1      HIS   9   1.444  -0.081  -4.092
   68    H    HIS  10           HN       HIS  10  -0.810  -4.196   0.288
   69    HA   HIS  10           HA       HIS  10  -1.018  -7.126   0.890
   70   1HB   HIS  10           HB2      HIS  10  -3.021  -5.447   2.161
   71   2HB   HIS  10           HB1      HIS  10  -1.836  -6.508   2.910
   72    HD1  HIS  10           HD1      HIS  10   0.482  -5.456   3.549
   73    HD2  HIS  10           HD2      HIS  10  -2.296  -2.707   2.099
   74    HE1  HIS  10           HE1      HIS  10   1.404  -3.159   4.076
   75    H    ARG  11           HN       ARG  11  -3.493  -4.601   0.572
   76    HA   ARG  11           HA       ARG  11  -4.532  -5.427  -1.978
   77   1HB   ARG  11           HB2      ARG  11  -6.500  -6.705  -1.062
   78   2HB   ARG  11           HB1      ARG  11  -4.954  -7.517  -0.801
   79   1HG   ARG  11           HG2      ARG  11  -5.477  -5.699   1.377
   80   2HG   ARG  11           HG1      ARG  11  -6.853  -6.783   1.164
   81   1HD   ARG  11           HD2      ARG  11  -4.555  -8.406   0.867
   82   2HD   ARG  11           HD1      ARG  11  -4.255  -7.382   2.287
   83    HE   ARG  11           HE       ARG  11  -6.628  -8.087   3.010
   84   1HH1  ARG  11          HH11      ARG  11  -6.740  -9.786   0.385
   85   2HH1  ARG  11          HH12      ARG  11  -6.544 -11.376   1.059
   86   1HH2  ARG  11          HH21      ARG  11  -5.453 -10.223   4.143
   87   2HH2  ARG  11          HH22      ARG  11  -5.809 -11.619   3.182
   88    H    CYS  12           HN       CYS  12  -4.756  -3.070  -2.038
   89    HA   CYS  12           HA       CYS  12  -6.387  -1.648  -0.103
   90   1HB   CYS  12           HB2      CYS  12  -5.239  -1.108  -2.845
   91   2HB   CYS  12           HB1      CYS  12  -6.256   0.086  -2.029
   92    H    THR  13           HN       THR  13  -7.219  -1.225  -3.460
   93    HA   THR  13           HA       THR  13  -9.897  -2.465  -2.940
   94    HB   THR  13           HB       THR  13 -10.896  -0.549  -4.029
   95    HG1  THR  13           HG1      THR  13  -8.364   0.612  -4.376
   96   1HG2  THR  13          HG22      THR  13  -9.292  -0.343  -1.686
   97   2HG2  THR  13          HG21      THR  13  -9.120   1.166  -2.581
   98   3HG2  THR  13          HG23      THR  13 -10.722   0.599  -2.110
   99   1HN   NH2  14           HT1      NH2  14  -7.149  -2.198  -5.038
  100   2HN   NH2  14           HT2      NH2  14  -7.800  -3.048  -6.367
   
  No H/Q in entry =         100
  Start of MODEL   12
    1   1H    ILE   1           HT1      ILE   1  -5.503   5.141  -0.979
    2   2H    ILE   1           HT3      ILE   1  -6.286   5.562   0.465
    3   3H    ILE   1           HT2      ILE   1  -6.301   6.634  -0.852
    4    HA   ILE   1           HA       ILE   1  -4.005   7.114  -0.633
    5    HB   ILE   1           HB       ILE   1  -5.846   7.994   0.976
    6   1HG1  ILE   1          HG12      ILE   1  -3.613   9.056   0.576
    7   2HG1  ILE   1          HG11      ILE   1  -4.204   9.296   2.220
    8   1HG2  ILE   1          HG22      ILE   1  -5.659   5.791   2.338
    9   2HG2  ILE   1          HG21      ILE   1  -4.224   6.527   3.051
   10   3HG2  ILE   1          HG23      ILE   1  -5.796   7.307   3.228
   11   1HD1  ILE   1          HD12      ILE   1  -2.838   6.933   2.472
   12   2HD1  ILE   1          HD11      ILE   1  -1.866   7.774   1.265
   13   3HD1  ILE   1          HD13      ILE   1  -2.158   8.518   2.837
   14    H    CYS   2           HN       CYS   2  -5.000   4.161   0.919
   15    HA   CYS   2           HA       CYS   2  -2.493   3.635   2.303
   16   1HB   CYS   2           HB2      CYS   2  -3.481   1.362   2.483
   17   2HB   CYS   2           HB1      CYS   2  -4.618   2.621   2.962
   18    H    VAL   3           HN       VAL   3  -0.707   3.589   0.999
   19    HA   VAL   3           HA       VAL   3  -0.526   1.451  -1.026
   20    HB   VAL   3           HB       VAL   3  -0.330   4.406  -1.562
   21   1HG1  VAL   3          HG11      VAL   3   0.929   2.105  -2.954
   22   2HG1  VAL   3          HG13      VAL   3   0.134   3.290  -3.990
   23   3HG1  VAL   3          HG12      VAL   3   1.427   3.795  -2.900
   24   1HG2  VAL   3          HG21      VAL   3  -2.054   2.149  -2.608
   25   2HG2  VAL   3          HG23      VAL   3  -2.576   3.625  -1.793
   26   3HG2  VAL   3          HG22      VAL   3  -1.939   3.702  -3.436
   27    H    VAL   4           HN       VAL   4   0.759   2.710   1.524
   28    HA   VAL   4           HA       VAL   4   3.429   3.473   0.963
   29    HB   VAL   4           HB       VAL   4   2.477   3.760   3.135
   30   1HG1  VAL   4          HG12      VAL   4   1.317   1.251   2.649
   31   2HG1  VAL   4          HG11      VAL   4   2.365   1.012   4.046
   32   3HG1  VAL   4          HG13      VAL   4   1.107   2.246   4.089
   33   1HG2  VAL   4          HG22      VAL   4   4.899   3.242   3.100
   34   2HG2  VAL   4          HG21      VAL   4   4.129   2.713   4.596
   35   3HG2  VAL   4          HG23      VAL   4   4.517   1.538   3.341
   36    H    GLN   5           HN       GLN   5   5.349   2.009   1.603
   37    HA   GLN   5           HA       GLN   5   6.683   0.150   0.990
   38   1HB   GLN   5           HB2      GLN   5   4.065  -1.301   1.440
   39   2HB   GLN   5           HB1      GLN   5   5.685  -1.984   1.549
   40   1HG   GLN   5           HG2      GLN   5   5.938   0.060   3.303
   41   2HG   GLN   5           HG1      GLN   5   4.217  -0.281   3.489
   42   1HE2  GLN   5          HE22      GLN   5   6.024  -2.528   5.851
   43   2HE2  GLN   5          HE21      GLN   5   5.828  -0.843   5.680
   44    H    ASP   6           HN       ASP   6   6.983   0.649  -1.196
   45    HA   ASP   6           HA       ASP   6   5.124   0.292  -3.329
   46   1HB   ASP   6           HB2      ASP   6   7.866   0.985  -2.871
   47   2HB   ASP   6           HB1      ASP   6   7.809  -0.195  -4.178
   48    H    TRP   7           HN       TRP   7   7.032  -1.948  -1.520
   49    HA   TRP   7           HA       TRP   7   6.433  -4.155  -3.460
   50   1HB   TRP   7           HB2      TRP   7   8.308  -5.237  -1.987
   51   2HB   TRP   7           HB1      TRP   7   8.766  -4.015  -3.170
   52    HD1  TRP   7           HD1      TRP   7  10.142  -2.089  -2.277
   53    HE1  TRP   7           HE1      TRP   7  10.639  -1.079   0.041
   54    HE3  TRP   7           HE3      TRP   7   7.037  -4.926   0.589
   55    HZ2  TRP   7           HZ2      TRP   7   9.815  -1.428   2.757
   56    HZ3  TRP   7           HZ3      TRP   7   6.902  -4.571   3.038
   57    HH2  TRP   7           HH2      TRP   7   8.288  -2.827   4.126
   58    H    GLY   8           HN       GLY   8   5.700  -2.849  -0.410
   59   1HA   GLY   8           HA2      GLY   8   4.738  -5.453   0.638
   60   2HA   GLY   8           HA1      GLY   8   5.003  -4.006   1.611
   61    H    HIS   9           HN       HIS   9   3.008  -5.171  -1.094
   62    HA   HIS   9           HA       HIS   9   0.962  -3.126  -0.687
   63   1HB   HIS   9           HB2      HIS   9   1.225  -5.661  -2.325
   64   2HB   HIS   9           HB1      HIS   9  -0.215  -4.639  -2.386
   65    HD1  HIS   9           HD1      HIS   9   1.490  -4.918  -4.918
   66    HD2  HIS   9           HD2      HIS   9   2.078  -1.911  -2.092
   67    HE1  HIS   9           HE1      HIS   9   2.685  -3.034  -6.116
   68    H    HIS  10           HN       HIS  10  -0.966  -3.356   0.450
   69    HA   HIS  10           HA       HIS  10  -1.245  -5.780   2.157
   70   1HB   HIS  10           HB2      HIS  10  -1.896  -2.908   2.271
   71   2HB   HIS  10           HB1      HIS  10  -3.158  -3.954   2.919
   72    HD1  HIS  10           HD1      HIS  10  -1.545  -6.167   4.221
   73    HD2  HIS  10           HD2      HIS  10  -0.493  -2.144   4.537
   74    HE1  HIS  10           HE1      HIS  10  -0.093  -5.966   6.287
   75    H    ARG  11           HN       ARG  11  -3.803  -3.641   0.971
   76    HA   ARG  11           HA       ARG  11  -4.915  -5.535  -0.927
   77   1HB   ARG  11           HB2      ARG  11  -6.870  -6.148   0.524
   78   2HB   ARG  11           HB1      ARG  11  -5.336  -6.764   1.140
   79   1HG   ARG  11           HG2      ARG  11  -5.239  -4.568   2.511
   80   2HG   ARG  11           HG1      ARG  11  -6.959  -4.430   2.144
   81   1HD   ARG  11           HD2      ARG  11  -6.926  -5.611   4.203
   82   2HD   ARG  11           HD1      ARG  11  -7.086  -6.907   2.999
   83    HE   ARG  11           HE       ARG  11  -4.408  -6.745   3.121
   84   1HH1  ARG  11          HH11      ARG  11  -4.903  -5.180   5.741
   85   2HH1  ARG  11          HH12      ARG  11  -4.681  -6.449   6.908
   86   1HH2  ARG  11          HH21      ARG  11  -4.912  -9.000   4.569
   87   2HH2  ARG  11          HH22      ARG  11  -4.691  -8.608   6.241
   88    H    CYS  12           HN       CYS  12  -4.447  -2.820  -1.201
   89    HA   CYS  12           HA       CYS  12  -6.933  -1.338  -0.639
   90   1HB   CYS  12           HB2      CYS  12  -4.317  -0.673  -2.024
   91   2HB   CYS  12           HB1      CYS  12  -5.599   0.498  -1.707
   92    H    THR  13           HN       THR  13  -4.997  -1.809  -3.605
   93    HA   THR  13           HA       THR  13  -7.414  -1.443  -5.263
   94    HB   THR  13           HB       THR  13  -5.025  -2.194  -6.700
   95    HG1  THR  13           HG1      THR  13  -3.547  -1.290  -5.544
   96   1HG2  THR  13          HG23      THR  13  -6.882   0.112  -6.435
   97   2HG2  THR  13          HG22      THR  13  -5.295   0.448  -7.127
   98   3HG2  THR  13          HG21      THR  13  -6.350  -0.748  -7.880
   99   1HN   NH2  14           HT1      NH2  14  -6.478  -4.047  -3.566
  100   2HN   NH2  14           HT2      NH2  14  -6.805  -5.303  -4.675
   
  No H/Q in entry =         100
  Start of MODEL   13
    1   1H    ILE   1           HT1      ILE   1  -5.721   3.784  -2.124
    2   2H    ILE   1           HT3      ILE   1  -6.714   3.931  -0.757
    3   3H    ILE   1           HT2      ILE   1  -7.155   4.693  -2.210
    4    HA   ILE   1           HA       ILE   1  -5.299   6.201  -2.057
    5    HB   ILE   1           HB       ILE   1  -7.478   6.660  -0.994
    6   1HG1  ILE   1          HG12      ILE   1  -5.159   8.023  -0.616
    7   2HG1  ILE   1          HG11      ILE   1  -6.711   8.571   0.006
    8   1HG2  ILE   1          HG21      ILE   1  -6.207   5.150   1.283
    9   2HG2  ILE   1          HG23      ILE   1  -7.514   6.298   1.571
   10   3HG2  ILE   1          HG22      ILE   1  -7.783   4.896   0.534
   11   1HD1  ILE   1          HD11      ILE   1  -4.881   6.777   1.613
   12   2HD1  ILE   1          HD13      ILE   1  -4.772   8.536   1.678
   13   3HD1  ILE   1          HD12      ILE   1  -6.250   7.723   2.186
   14    H    CYS   2           HN       CYS   2  -4.797   3.323  -0.493
   15    HA   CYS   2           HA       CYS   2  -2.480   4.426   1.060
   16   1HB   CYS   2           HB2      CYS   2  -2.868   1.924   2.098
   17   2HB   CYS   2           HB1      CYS   2  -3.578   3.383   2.772
   18    H    VAL   3           HN       VAL   3  -0.610   4.039   0.002
   19    HA   VAL   3           HA       VAL   3  -0.323   1.476  -1.522
   20    HB   VAL   3           HB       VAL   3   0.375   4.335  -2.072
   21   1HG1  VAL   3          HG11      VAL   3   1.771   1.913  -3.235
   22   2HG1  VAL   3          HG13      VAL   3   1.788   3.497  -4.010
   23   3HG1  VAL   3          HG12      VAL   3   2.511   3.288  -2.416
   24   1HG2  VAL   3          HG22      VAL   3  -1.637   2.752  -2.952
   25   2HG2  VAL   3          HG21      VAL   3  -0.974   4.074  -3.911
   26   3HG2  VAL   3          HG23      VAL   3  -0.432   2.419  -4.196
   27    H    VAL   4           HN       VAL   4   0.466   2.674   1.241
   28    HA   VAL   4           HA       VAL   4   3.147   3.037   1.696
   29    HB   VAL   4           HB       VAL   4   1.773   2.960   3.579
   30   1HG1  VAL   4          HG12      VAL   4   0.671   0.511   2.274
   31   2HG1  VAL   4          HG11      VAL   4   0.563   0.610   4.031
   32   3HG1  VAL   4          HG13      VAL   4  -0.181   1.856   3.029
   33   1HG2  VAL   4          HG23      VAL   4   3.914   1.810   4.036
   34   2HG2  VAL   4          HG22      VAL   4   2.610   1.158   5.029
   35   3HG2  VAL   4          HG21      VAL   4   3.169   0.269   3.611
   36    H    GLN   5           HN       GLN   5   4.876   1.524   2.295
   37    HA   GLN   5           HA       GLN   5   6.323  -0.262   1.774
   38   1HB   GLN   5           HB2      GLN   5   3.567  -1.468   1.706
   39   2HB   GLN   5           HB1      GLN   5   4.979  -2.440   1.299
   40   1HG   GLN   5           HG2      GLN   5   5.983  -2.016   3.456
   41   2HG   GLN   5           HG1      GLN   5   4.726  -0.847   3.861
   42   1HE2  GLN   5          HE22      GLN   5   4.051  -4.480   5.087
   43   2HE2  GLN   5          HE21      GLN   5   5.552  -3.681   4.962
   44    H    ASP   6           HN       ASP   6   7.291   0.327  -0.098
   45    HA   ASP   6           HA       ASP   6   5.983   0.494  -2.685
   46   1HB   ASP   6           HB2      ASP   6   8.672   0.784  -1.464
   47   2HB   ASP   6           HB1      ASP   6   8.653   0.402  -3.185
   48    H    TRP   7           HN       TRP   7   7.574  -2.044  -0.908
   49    HA   TRP   7           HA       TRP   7   7.592  -3.769  -3.358
   50   1HB   TRP   7           HB2      TRP   7   9.258  -5.063  -1.847
   51   2HB   TRP   7           HB1      TRP   7   9.792  -3.532  -2.533
   52    HD1  TRP   7           HD1      TRP   7  10.717  -1.844  -0.879
   53    HE1  TRP   7           HE1      TRP   7  10.627  -1.515   1.676
   54    HE3  TRP   7           HE3      TRP   7   7.501  -5.587   0.366
   55    HZ2  TRP   7           HZ2      TRP   7   9.347  -2.694   3.953
   56    HZ3  TRP   7           HZ3      TRP   7   6.855  -5.972   2.728
   57    HH2  TRP   7           HH2      TRP   7   7.773  -4.528   4.524
   58    H    GLY   8           HN       GLY   8   6.206  -3.312  -0.245
   59   1HA   GLY   8           HA2      GLY   8   4.979  -6.029  -0.426
   60   2HA   GLY   8           HA1      GLY   8   5.528  -5.374   1.115
   61    H    HIS   9           HN       HIS   9   3.256  -4.710  -1.559
   62    HA   HIS   9           HA       HIS   9   1.721  -2.804   0.046
   63   1HB   HIS   9           HB2      HIS   9   0.849  -4.228  -2.478
   64   2HB   HIS   9           HB1      HIS   9   0.424  -2.605  -1.937
   65    HD1  HIS   9           HD1      HIS   9   3.030  -4.515  -3.773
   66    HD2  HIS   9           HD2      HIS   9   2.543  -0.655  -2.276
   67    HE1  HIS   9           HE1      HIS   9   4.850  -3.102  -4.828
   68    H    HIS  10           HN       HIS  10  -0.699  -3.277   0.391
   69    HA   HIS  10           HA       HIS  10  -0.998  -6.085   1.378
   70   1HB   HIS  10           HB2      HIS  10  -1.904  -3.368   2.212
   71   2HB   HIS  10           HB1      HIS  10  -2.987  -4.714   2.560
   72    HD1  HIS  10           HD1      HIS  10  -1.839  -3.488   5.002
   73    HD2  HIS  10           HD2      HIS  10   0.229  -6.424   2.890
   74    HE1  HIS  10           HE1      HIS  10  -0.170  -4.495   6.622
   75    H    ARG  11           HN       ARG  11  -3.684  -3.896   0.883
   76    HA   ARG  11           HA       ARG  11  -4.534  -4.809  -1.710
   77   1HB   ARG  11           HB2      ARG  11  -6.186  -6.466  -0.999
   78   2HB   ARG  11           HB1      ARG  11  -4.601  -6.935  -0.379
   79   1HG   ARG  11           HG2      ARG  11  -5.972  -5.148   1.462
   80   2HG   ARG  11           HG1      ARG  11  -6.931  -6.591   1.133
   81   1HD   ARG  11           HD2      ARG  11  -4.087  -7.199   1.532
   82   2HD   ARG  11           HD1      ARG  11  -4.850  -6.466   2.957
   83    HE   ARG  11           HE       ARG  11  -6.371  -8.615   1.604
   84   1HH1  ARG  11          HH21      ARG  11  -3.767  -8.208   3.738
   85   2HH1  ARG  11          HH22      ARG  11  -4.406  -9.245   4.970
   86   1HH2  ARG  11          HH11      ARG  11  -7.463  -9.683   3.385
   87   2HH2  ARG  11          HH12      ARG  11  -6.499 -10.076   4.778
   88    H    CYS  12           HN       CYS  12  -4.648  -2.289  -0.909
   89    HA   CYS  12           HA       CYS  12  -6.994  -1.520   0.609
   90   1HB   CYS  12           HB2      CYS  12  -4.975  -0.195  -1.194
   91   2HB   CYS  12           HB1      CYS  12  -6.369   0.716  -0.602
   92    H    THR  13           HN       THR  13  -6.531  -0.166  -2.590
   93    HA   THR  13           HA       THR  13  -9.370  -0.656  -3.228
   94    HB   THR  13           HB       THR  13  -7.610   0.623  -5.216
   95    HG1  THR  13           HG1      THR  13  -6.723   2.056  -3.954
   96   1HG2  THR  13          HG21      THR  13 -10.183   0.698  -4.934
   97   2HG2  THR  13          HG23      THR  13  -9.865   1.863  -3.647
   98   3HG2  THR  13          HG22      THR  13  -9.352   2.211  -5.297
   99   1HN   NH2  14           HT1      NH2  14  -9.910  -1.530  -5.484
  100   2HN   NH2  14           HT2      NH2  14  -8.917  -2.753  -6.139
   
  No H/Q in entry =         100
  Start of MODEL   14
    1   1H    ILE   1           HT2      ILE   1  -5.054   3.967  -2.334
    2   2H    ILE   1           HT1      ILE   1  -6.217   4.079  -1.100
    3   3H    ILE   1           HT3      ILE   1  -6.472   4.870  -2.578
    4    HA   ILE   1           HA       ILE   1  -4.760   6.436  -2.163
    5    HB   ILE   1           HB       ILE   1  -7.113   6.087  -0.730
    6   1HG1  ILE   1          HG12      ILE   1  -6.191   8.102  -1.971
    7   2HG1  ILE   1          HG11      ILE   1  -7.061   8.470  -0.484
    8   1HG2  ILE   1          HG22      ILE   1  -5.792   5.348   1.253
    9   2HG2  ILE   1          HG21      ILE   1  -4.950   6.897   1.236
   10   3HG2  ILE   1          HG23      ILE   1  -6.685   6.839   1.548
   11   1HD1  ILE   1          HD12      ILE   1  -4.195   7.975  -0.074
   12   2HD1  ILE   1          HD11      ILE   1  -4.531   9.374  -1.089
   13   3HD1  ILE   1          HD13      ILE   1  -5.207   9.281   0.538
   14    H    CYS   2           HN       CYS   2  -4.268   3.455  -0.690
   15    HA   CYS   2           HA       CYS   2  -2.248   4.423   1.242
   16   1HB   CYS   2           HB2      CYS   2  -2.350   2.242   2.097
   17   2HB   CYS   2           HB1      CYS   2  -3.974   2.454   1.454
   18    H    VAL   3           HN       VAL   3  -0.088   4.485   0.794
   19    HA   VAL   3           HA       VAL   3   0.888   3.114  -1.682
   20    HB   VAL   3           HB       VAL   3   1.413   5.860  -0.547
   21   1HG1  VAL   3          HG12      VAL   3   2.949   4.226  -2.533
   22   2HG1  VAL   3          HG11      VAL   3   2.822   5.966  -2.788
   23   3HG1  VAL   3          HG13      VAL   3   3.545   5.342  -1.304
   24   1HG2  VAL   3          HG21      VAL   3  -0.385   4.823  -2.506
   25   2HG2  VAL   3          HG23      VAL   3  -0.145   6.504  -2.038
   26   3HG2  VAL   3          HG22      VAL   3   0.812   5.808  -3.345
   27    H    VAL   4           HN       VAL   4   0.965   2.845   1.432
   28    HA   VAL   4           HA       VAL   4   3.644   3.067   2.345
   29    HB   VAL   4           HB       VAL   4   1.961   2.724   3.955
   30   1HG1  VAL   4          HG12      VAL   4   1.025   0.622   2.042
   31   2HG1  VAL   4          HG11      VAL   4   0.610   0.446   3.748
   32   3HG1  VAL   4          HG13      VAL   4   0.101   1.882   2.859
   33   1HG2  VAL   4          HG23      VAL   4   3.284   0.018   3.592
   34   2HG2  VAL   4          HG22      VAL   4   3.965   1.382   4.479
   35   3HG2  VAL   4          HG21      VAL   4   2.508   0.585   5.068
   36    H    GLN   5           HN       GLN   5   5.020   1.151   2.933
   37    HA   GLN   5           HA       GLN   5   6.530  -0.440   2.036
   38   1HB   GLN   5           HB2      GLN   5   3.748  -1.543   2.062
   39   2HB   GLN   5           HB1      GLN   5   5.071  -2.524   1.439
   40   1HG   GLN   5           HG2      GLN   5   5.934  -2.885   3.500
   41   2HG   GLN   5           HG1      GLN   5   5.740  -1.193   3.960
   42   1HE2  GLN   5          HE22      GLN   5   3.090  -2.104   6.093
   43   2HE2  GLN   5          HE21      GLN   5   4.542  -1.235   5.877
   44    H    ASP   6           HN       ASP   6   7.235   0.616   0.178
   45    HA   ASP   6           HA       ASP   6   6.091   0.949  -2.339
   46   1HB   ASP   6           HB2      ASP   6   8.664   0.047  -2.938
   47   2HB   ASP   6           HB1      ASP   6   8.221   1.712  -2.573
   48    H    TRP   7           HN       TRP   7   7.529  -2.000  -1.028
   49    HA   TRP   7           HA       TRP   7   6.544  -3.517  -3.417
   50   1HB   TRP   7           HB2      TRP   7   8.297  -5.183  -2.429
   51   2HB   TRP   7           HB1      TRP   7   8.879  -3.745  -3.263
   52    HD1  TRP   7           HD1      TRP   7  10.557  -2.356  -1.984
   53    HE1  TRP   7           HE1      TRP   7  11.272  -2.097   0.477
   54    HE3  TRP   7           HE3      TRP   7   7.155  -5.408   0.226
   55    HZ2  TRP   7           HZ2      TRP   7  10.491  -3.066   3.056
   56    HZ3  TRP   7           HZ3      TRP   7   7.146  -5.732   2.683
   57    HH2  TRP   7           HH2      TRP   7   8.810  -4.562   4.101
   58    H    GLY   8           HN       GLY   8   6.079  -3.015  -0.084
   59   1HA   GLY   8           HA2      GLY   8   4.954  -5.708   0.365
   60   2HA   GLY   8           HA1      GLY   8   5.171  -4.465   1.597
   61    H    HIS   9           HN       HIS   9   3.366  -4.890  -1.460
   62    HA   HIS   9           HA       HIS   9   1.249  -3.065  -0.600
   63   1HB   HIS   9           HB2      HIS   9   1.917  -4.814  -2.938
   64   2HB   HIS   9           HB1      HIS   9   0.245  -4.272  -2.762
   65    HD1  HIS   9           HD1      HIS   9   1.056  -2.925  -5.073
   66    HD2  HIS   9           HD2      HIS   9   2.516  -1.543  -1.421
   67    HE1  HIS   9           HE1      HIS   9   1.864  -0.557  -5.473
   68    H    HIS  10           HN       HIS  10  -1.067  -3.844  -0.462
   69    HA   HIS  10           HA       HIS  10  -1.235  -6.638   0.610
   70   1HB   HIS  10           HB2      HIS  10  -1.647  -4.043   1.856
   71   2HB   HIS  10           HB1      HIS  10  -3.082  -5.056   1.989
   72    HD1  HIS  10           HD1      HIS  10   0.472  -6.374   1.966
   73    HD2  HIS  10           HD2      HIS  10  -2.701  -5.914   4.631
   74    HE1  HIS  10           HE1      HIS  10   1.127  -7.603   4.084
   75    H    ARG  11           HN       ARG  11  -3.791  -4.189   0.423
   76    HA   ARG  11           HA       ARG  11  -4.985  -5.213  -2.007
   77   1HB   ARG  11           HB2      ARG  11  -6.568  -6.704  -1.128
   78   2HB   ARG  11           HB1      ARG  11  -5.122  -7.057  -0.191
   79   1HG   ARG  11           HG2      ARG  11  -7.326  -5.199   0.742
   80   2HG   ARG  11           HG1      ARG  11  -7.211  -6.888   1.184
   81   1HD   ARG  11           HD2      ARG  11  -5.283  -6.550   2.488
   82   2HD   ARG  11           HD1      ARG  11  -4.892  -5.025   1.676
   83    HE   ARG  11           HE       ARG  11  -6.653  -3.938   2.903
   84   1HH1  ARG  11          HH11      ARG  11  -8.939  -5.297   3.309
   85   2HH1  ARG  11          HH12      ARG  11  -8.805  -6.141   4.823
   86   1HH2  ARG  11          HH21      ARG  11  -5.349  -5.894   4.952
   87   2HH2  ARG  11          HH22      ARG  11  -6.771  -6.483   5.744
   88    H    CYS  12           HN       CYS  12  -4.527  -2.574  -1.104
   89    HA   CYS  12           HA       CYS  12  -6.831  -1.366   0.143
   90   1HB   CYS  12           HB2      CYS  12  -4.705  -0.307  -1.747
   91   2HB   CYS  12           HB1      CYS  12  -5.812   0.706  -0.821
   92    H    THR  13           HN       THR  13  -8.099  -3.010  -1.625
   93    HA   THR  13           HA       THR  13  -9.542  -1.152  -3.345
   94    HB   THR  13           HB       THR  13  -7.647  -3.216  -4.505
   95    HG1  THR  13           HG1      THR  13  -7.893  -0.482  -5.145
   96   1HG2  THR  13          HG22      THR  13 -10.184  -2.278  -5.499
   97   2HG2  THR  13          HG21      THR  13  -8.888  -1.704  -6.550
   98   3HG2  THR  13          HG23      THR  13  -9.068  -3.431  -6.233
   99   1HN   NH2  14           HT1      NH2  14  -9.072  -4.530  -4.271
  100   2HN   NH2  14           HT2      NH2  14 -10.582  -5.094  -3.712
   
  No H/Q in entry =         100
  Start of MODEL   15
    1   1H    ILE   1           HT1      ILE   1  -3.978   6.109  -2.118
    2   2H    ILE   1           HT3      ILE   1  -5.604   5.659  -2.290
    3   3H    ILE   1           HT2      ILE   1  -5.167   7.300  -2.349
    4    HA   ILE   1           HA       ILE   1  -4.995   7.503  -0.113
    5    HB   ILE   1           HB       ILE   1  -7.193   6.336  -1.049
    6   1HG1  ILE   1          HG12      ILE   1  -6.941   7.858   0.947
    7   2HG1  ILE   1          HG11      ILE   1  -8.202   6.639   1.125
    8   1HG2  ILE   1          HG23      ILE   1  -6.011   4.046  -0.633
    9   2HG2  ILE   1          HG22      ILE   1  -6.444   4.312   1.055
   10   3HG2  ILE   1          HG21      ILE   1  -7.704   4.219  -0.175
   11   1HD1  ILE   1          HD12      ILE   1  -5.725   5.520   2.033
   12   2HD1  ILE   1          HD11      ILE   1  -5.955   7.085   2.814
   13   3HD1  ILE   1          HD13      ILE   1  -7.191   5.836   2.962
   14    H    CYS   2           HN       CYS   2  -4.132   4.282  -1.237
   15    HA   CYS   2           HA       CYS   2  -2.536   3.902   1.276
   16   1HB   CYS   2           HB2      CYS   2  -2.898   1.443   0.778
   17   2HB   CYS   2           HB1      CYS   2  -4.369   2.330   1.173
   18    H    VAL   3           HN       VAL   3  -0.396   4.109   0.826
   19    HA   VAL   3           HA       VAL   3   0.666   2.945  -1.704
   20    HB   VAL   3           HB       VAL   3   1.002   5.712  -0.561
   21   1HG1  VAL   3          HG13      VAL   3   2.717   4.208  -2.533
   22   2HG1  VAL   3          HG12      VAL   3   2.601   5.967  -2.594
   23   3HG1  VAL   3          HG11      VAL   3   3.223   5.174  -1.146
   24   1HG2  VAL   3          HG21      VAL   3  -0.712   4.660  -2.490
   25   2HG2  VAL   3          HG23      VAL   3  -0.326   6.368  -2.274
   26   3HG2  VAL   3          HG22      VAL   3   0.579   5.400  -3.437
   27    H    VAL   4           HN       VAL   4   0.721   2.719   1.439
   28    HA   VAL   4           HA       VAL   4   3.433   2.989   2.300
   29    HB   VAL   4           HB       VAL   4   1.758   2.735   3.946
   30   1HG1  VAL   4          HG12      VAL   4   0.817   0.538   2.150
   31   2HG1  VAL   4          HG11      VAL   4   0.439   0.423   3.868
   32   3HG1  VAL   4          HG13      VAL   4  -0.112   1.815   2.934
   33   1HG2  VAL   4          HG23      VAL   4   3.098   0.027   3.703
   34   2HG2  VAL   4          HG22      VAL   4   3.782   1.443   4.504
   35   3HG2  VAL   4          HG21      VAL   4   2.342   0.664   5.162
   36    H    GLN   5           HN       GLN   5   4.804   1.047   2.919
   37    HA   GLN   5           HA       GLN   5   6.200  -0.665   2.066
   38   1HB   GLN   5           HB2      GLN   5   3.381  -1.693   1.672
   39   2HB   GLN   5           HB1      GLN   5   4.826  -2.700   1.586
   40   1HG   GLN   5           HG2      GLN   5   5.152  -2.665   3.845
   41   2HG   GLN   5           HG1      GLN   5   4.636  -0.985   3.989
   42   1HE2  GLN   5          HE22      GLN   5   1.663  -2.204   5.474
   43   2HE2  GLN   5          HE21      GLN   5   3.065  -1.250   5.660
   44    H    ASP   6           HN       ASP   6   7.096   0.313   0.283
   45    HA   ASP   6           HA       ASP   6   5.798   0.588  -2.300
   46   1HB   ASP   6           HB2      ASP   6   7.614   2.010  -1.391
   47   2HB   ASP   6           HB1      ASP   6   8.701   0.619  -1.434
   48    H    TRP   7           HN       TRP   7   7.627  -1.919  -0.714
   49    HA   TRP   7           HA       TRP   7   7.964  -3.392  -3.296
   50   1HB   TRP   7           HB2      TRP   7   9.422  -4.825  -1.703
   51   2HB   TRP   7           HB1      TRP   7  10.011  -3.226  -2.143
   52    HD1  TRP   7           HD1      TRP   7  10.728  -1.791  -0.198
   53    HE1  TRP   7           HE1      TRP   7  10.279  -1.724   2.338
   54    HE3  TRP   7           HE3      TRP   7   7.285  -5.513   0.170
   55    HZ2  TRP   7           HZ2      TRP   7   8.659  -3.080   4.270
   56    HZ3  TRP   7           HZ3      TRP   7   6.296  -6.113   2.358
   57    HH2  TRP   7           HH2      TRP   7   6.979  -4.901   4.411
   58    H    GLY   8           HN       GLY   8   5.933  -3.259  -0.609
   59   1HA   GLY   8           HA2      GLY   8   4.848  -5.917  -1.277
   60   2HA   GLY   8           HA1      GLY   8   5.347  -5.648   0.390
   61    H    HIS   9           HN       HIS   9   2.975  -4.873  -2.036
   62    HA   HIS   9           HA       HIS   9   1.494  -2.941  -0.419
   63   1HB   HIS   9           HB2      HIS   9   0.674  -4.593  -2.835
   64   2HB   HIS   9           HB1      HIS   9  -0.092  -3.106  -2.273
   65    HD1  HIS   9           HD1      HIS   9   0.806  -2.806  -5.030
   66    HD2  HIS   9           HD2      HIS   9   3.491  -2.295  -1.885
   67    HE1  HIS   9           HE1      HIS   9   2.721  -1.424  -5.943
   68    H    HIS  10           HN       HIS  10  -0.845  -3.457   0.206
   69    HA   HIS  10           HA       HIS  10  -0.992  -6.237   1.313
   70   1HB   HIS  10           HB2      HIS  10  -1.675  -3.501   2.237
   71   2HB   HIS  10           HB1      HIS  10  -2.809  -4.766   2.708
   72    HD1  HIS  10           HD1      HIS  10  -1.404  -3.737   5.053
   73    HD2  HIS  10           HD2      HIS  10   0.379  -6.618   2.626
   74    HE1  HIS  10           HE1      HIS  10   0.380  -4.850   6.462
   75    H    ARG  11           HN       ARG  11  -3.787  -4.147   1.252
   76    HA   ARG  11           HA       ARG  11  -4.890  -5.294  -1.201
   77   1HB   ARG  11           HB2      ARG  11  -6.532  -6.680  -0.186
   78   2HB   ARG  11           HB1      ARG  11  -5.022  -7.061   0.631
   79   1HG   ARG  11           HG2      ARG  11  -7.258  -5.305   1.651
   80   2HG   ARG  11           HG1      ARG  11  -6.734  -6.847   2.303
   81   1HD   ARG  11           HD2      ARG  11  -4.410  -5.657   2.565
   82   2HD   ARG  11           HD1      ARG  11  -5.381  -4.172   2.503
   83    HE   ARG  11           HE       ARG  11  -6.213  -6.362   4.349
   84   1HH1  ARG  11          HH11      ARG  11  -7.350  -3.504   4.161
   85   2HH1  ARG  11          HH12      ARG  11  -6.650  -2.794   5.585
   86   1HH2  ARG  11          HH21      ARG  11  -4.310  -5.319   6.007
   87   2HH2  ARG  11          HH22      ARG  11  -4.920  -3.819   6.622
   88    H    CYS  12           HN       CYS  12  -5.254  -3.143  -1.818
   89    HA   CYS  12           HA       CYS  12  -6.789  -1.323  -0.089
   90   1HB   CYS  12           HB2      CYS  12  -5.631  -1.188  -2.886
   91   2HB   CYS  12           HB1      CYS  12  -6.464   0.163  -2.116
   92    H    THR  13           HN       THR  13  -7.259  -2.140  -3.523
   93    HA   THR  13           HA       THR  13 -10.062  -2.942  -3.040
   94    HB   THR  13           HB       THR  13 -10.080  -0.896  -5.052
   95    HG1  THR  13           HG1      THR  13  -9.382   0.268  -2.640
   96   1HG2  THR  13          HG21      THR  13 -11.293  -1.333  -2.336
   97   2HG2  THR  13          HG23      THR  13 -11.549   0.188  -3.194
   98   3HG2  THR  13          HG22      THR  13 -12.079  -1.331  -3.915
   99   1HN   NH2  14           HT1      NH2  14  -9.260  -4.953  -4.105
  100   2HN   NH2  14           HT2      NH2  14  -9.001  -4.989  -5.790
   
  No H/Q in entry =         100
  Start of MODEL   16
    1   1H    ILE   1           HT1      ILE   1  -6.803   5.233   0.386
    2   2H    ILE   1           HT3      ILE   1  -6.609   6.529   1.463
    3   3H    ILE   1           HT2      ILE   1  -7.245   6.804  -0.087
    4    HA   ILE   1           HA       ILE   1  -5.183   6.382  -1.135
    5    HB   ILE   1           HB       ILE   1  -5.683   8.561   0.065
    6   1HG1  ILE   1          HG12      ILE   1  -3.721   8.212  -1.459
    7   2HG1  ILE   1          HG11      ILE   1  -3.442   9.434  -0.219
    8   1HG2  ILE   1          HG23      ILE   1  -5.060   7.160   2.336
    9   2HG2  ILE   1          HG22      ILE   1  -3.566   8.052   2.050
   10   3HG2  ILE   1          HG21      ILE   1  -5.091   8.920   2.223
   11   1HD1  ILE   1          HD12      ILE   1  -2.441   7.499   1.181
   12   2HD1  ILE   1          HD11      ILE   1  -2.376   6.617  -0.345
   13   3HD1  ILE   1          HD13      ILE   1  -1.480   8.124  -0.158
   14    H    CYS   2           HN       CYS   2  -4.641   4.076  -0.779
   15    HA   CYS   2           HA       CYS   2  -2.720   3.670   1.487
   16   1HB   CYS   2           HB2      CYS   2  -3.419   1.343   1.432
   17   2HB   CYS   2           HB1      CYS   2  -4.862   2.353   1.478
   18    H    VAL   3           HN       VAL   3  -0.637   3.651   0.777
   19    HA   VAL   3           HA       VAL   3   0.029   2.144  -1.690
   20    HB   VAL   3           HB       VAL   3   0.929   4.977  -1.173
   21   1HG1  VAL   3          HG12      VAL   3   1.874   2.963  -2.901
   22   2HG1  VAL   3          HG11      VAL   3   0.948   4.060  -3.925
   23   3HG1  VAL   3          HG13      VAL   3   2.284   4.678  -2.954
   24   1HG2  VAL   3          HG23      VAL   3  -1.303   3.931  -2.938
   25   2HG2  VAL   3          HG22      VAL   3  -1.465   5.033  -1.572
   26   3HG2  VAL   3          HG21      VAL   3  -0.652   5.565  -3.042
   27    H    VAL   4           HN       VAL   4   0.553   2.399   1.387
   28    HA   VAL   4           HA       VAL   4   3.272   2.888   1.902
   29    HB   VAL   4           HB       VAL   4   1.902   2.491   3.755
   30   1HG1  VAL   4          HG13      VAL   4   0.825   0.289   2.071
   31   2HG1  VAL   4          HG12      VAL   4   0.802   0.026   3.816
   32   3HG1  VAL   4          HG11      VAL   4  -0.030   1.419   3.123
   33   1HG2  VAL   4          HG23      VAL   4   4.067   1.355   4.029
   34   2HG2  VAL   4          HG22      VAL   4   2.793   0.484   4.881
   35   3HG2  VAL   4          HG21      VAL   4   3.386  -0.114   3.332
   36    H    GLN   5           HN       GLN   5   5.022   1.324   2.210
   37    HA   GLN   5           HA       GLN   5   6.529  -0.183   1.170
   38   1HB   GLN   5           HB2      GLN   5   4.088  -1.488   2.128
   39   2HB   GLN   5           HB1      GLN   5   4.970  -2.424   0.925
   40   1HG   GLN   5           HG2      GLN   5   6.124  -3.113   2.791
   41   2HG   GLN   5           HG1      GLN   5   7.050  -1.659   2.420
   42   1HE2  GLN   5          HE22      GLN   5   5.289  -1.861   5.964
   43   2HE2  GLN   5          HE21      GLN   5   5.672  -3.203   4.983
   44    H    ASP   6           HN       ASP   6   6.836   0.608  -0.871
   45    HA   ASP   6           HA       ASP   6   5.076   0.577  -3.089
   46   1HB   ASP   6           HB2      ASP   6   8.080   0.169  -3.133
   47   2HB   ASP   6           HB1      ASP   6   7.094   0.945  -4.371
   48    H    TRP   7           HN       TRP   7   7.043  -1.981  -1.694
   49    HA   TRP   7           HA       TRP   7   6.145  -3.824  -3.880
   50   1HB   TRP   7           HB2      TRP   7   8.164  -5.154  -2.939
   51   2HB   TRP   7           HB1      TRP   7   8.499  -3.711  -3.890
   52    HD1  TRP   7           HD1      TRP   7  10.072  -2.054  -2.819
   53    HE1  TRP   7           HE1      TRP   7  10.917  -1.557  -0.436
   54    HE3  TRP   7           HE3      TRP   7   7.242  -5.373  -0.178
   55    HZ2  TRP   7           HZ2      TRP   7  10.450  -2.452   2.240
   56    HZ3  TRP   7           HZ3      TRP   7   7.461  -5.536   2.283
   57    HH2  TRP   7           HH2      TRP   7   9.061  -4.081   3.496
   58    H    GLY   8           HN       GLY   8   5.871  -3.086  -0.558
   59   1HA   GLY   8           HA2      GLY   8   4.841  -5.830   0.011
   60   2HA   GLY   8           HA1      GLY   8   5.534  -4.771   1.238
   61    H    HIS   9           HN       HIS   9   2.831  -4.835  -1.116
   62    HA   HIS   9           HA       HIS   9   1.300  -2.867   0.419
   63   1HB   HIS   9           HB2      HIS   9   0.410  -4.743  -1.792
   64   2HB   HIS   9           HB1      HIS   9  -0.313  -3.196  -1.347
   65    HD1  HIS   9           HD1      HIS   9   1.524  -4.383  -4.002
   66    HD2  HIS   9           HD2      HIS   9   2.219  -1.204  -1.392
   67    HE1  HIS   9           HE1      HIS   9   3.126  -2.818  -5.187
   68    H    HIS  10           HN       HIS  10  -0.973  -3.498   1.187
   69    HA   HIS  10           HA       HIS  10  -0.884  -6.216   2.453
   70   1HB   HIS  10           HB2      HIS  10  -0.751  -4.028   3.821
   71   2HB   HIS  10           HB1      HIS  10  -2.450  -3.814   3.399
   72    HD1  HIS  10           HD1      HIS  10  -2.846  -7.082   3.486
   73    HD2  HIS  10           HD2      HIS  10  -1.550  -4.571   6.550
   74    HE1  HIS  10           HE1      HIS  10  -3.318  -8.300   5.657
   75    H    ARG  11           HN       ARG  11  -3.066  -3.779   1.049
   76    HA   ARG  11           HA       ARG  11  -4.642  -5.709  -0.371
   77   1HB   ARG  11           HB2      ARG  11  -6.663  -5.542   1.157
   78   2HB   ARG  11           HB1      ARG  11  -5.304  -6.441   1.833
   79   1HG   ARG  11           HG2      ARG  11  -4.726  -3.863   2.608
   80   2HG   ARG  11           HG1      ARG  11  -6.486  -3.896   2.714
   81   1HD   ARG  11           HD2      ARG  11  -5.416  -6.359   3.783
   82   2HD   ARG  11           HD1      ARG  11  -4.667  -4.969   4.593
   83    HE   ARG  11           HE       ARG  11  -6.981  -4.115   5.020
   84   1HH1  ARG  11          HH11      ARG  11  -7.281  -6.893   3.178
   85   2HH1  ARG  11          HH12      ARG  11  -8.454  -7.663   4.204
   86   1HH2  ARG  11          HH21      ARG  11  -8.177  -5.310   6.732
   87   2HH2  ARG  11          HH22      ARG  11  -8.958  -6.765   6.211
   88    H    CYS  12           HN       CYS  12  -4.128  -3.775  -1.792
   89    HA   CYS  12           HA       CYS  12  -5.991  -1.482  -1.299
   90   1HB   CYS  12           HB2      CYS  12  -3.347  -1.843  -2.711
   91   2HB   CYS  12           HB1      CYS  12  -4.367  -0.440  -3.036
   92    H    THR  13           HN       THR  13  -7.316  -0.798  -3.074
   93    HA   THR  13           HA       THR  13  -7.846  -2.917  -5.092
   94    HB   THR  13           HB       THR  13  -9.581  -0.622  -5.226
   95    HG1  THR  13           HG1      THR  13 -10.267  -1.184  -2.892
   96   1HG2  THR  13          HG23      THR  13  -9.674  -3.515  -4.866
   97   2HG2  THR  13          HG22      THR  13 -10.913  -2.688  -3.921
   98   3HG2  THR  13          HG21      THR  13 -10.829  -2.448  -5.667
   99   1HN   NH2  14           HT1      NH2  14  -7.620  -2.497  -7.365
  100   2HN   NH2  14           HT2      NH2  14  -6.927  -1.068  -7.988
   
  No H/Q in entry =         100
  Start of MODEL   17
    1   1H    ILE   1           HT3      ILE   1  -5.661   5.200  -1.557
    2   2H    ILE   1           HT2      ILE   1  -6.594   5.424  -0.155
    3   3H    ILE   1           HT1      ILE   1  -6.696   6.537  -1.435
    4    HA   ILE   1           HA       ILE   1  -4.533   7.378  -1.030
    5    HB   ILE   1           HB       ILE   1  -6.424   8.095   0.412
    6   1HG1  ILE   1          HG12      ILE   1  -3.850   8.724   0.724
    7   2HG1  ILE   1          HG11      ILE   1  -5.074   9.321   1.841
    8   1HG2  ILE   1          HG21      ILE   1  -5.496   5.731   2.039
    9   2HG2  ILE   1          HG23      ILE   1  -6.358   7.068   2.798
   10   3HG2  ILE   1          HG22      ILE   1  -7.130   6.138   1.516
   11   1HD1  ILE   1          HD12      ILE   1  -3.799   6.676   2.429
   12   2HD1  ILE   1          HD11      ILE   1  -2.867   8.140   2.742
   13   3HD1  ILE   1          HD13      ILE   1  -4.417   7.892   3.545
   14    H    CYS   2           HN       CYS   2  -5.013   4.171  -0.047
   15    HA   CYS   2           HA       CYS   2  -2.645   3.945   1.681
   16   1HB   CYS   2           HB2      CYS   2  -3.296   1.535   1.609
   17   2HB   CYS   2           HB1      CYS   2  -4.645   2.585   2.040
   18    H    VAL   3           HN       VAL   3  -0.640   3.958   0.757
   19    HA   VAL   3           HA       VAL   3  -0.142   2.193  -1.565
   20    HB   VAL   3           HB       VAL   3   0.252   5.171  -1.435
   21   1HG1  VAL   3          HG11      VAL   3   1.586   3.133  -3.226
   22   2HG1  VAL   3          HG13      VAL   3   1.410   4.822  -3.703
   23   3HG1  VAL   3          HG12      VAL   3   2.348   4.403  -2.268
   24   1HG2  VAL   3          HG21      VAL   3  -1.323   3.234  -3.093
   25   2HG2  VAL   3          HG23      VAL   3  -1.815   4.793  -2.430
   26   3HG2  VAL   3          HG22      VAL   3  -0.772   4.726  -3.852
   27    H    VAL   4           HN       VAL   4   0.672   2.939   1.402
   28    HA   VAL   4           HA       VAL   4   3.459   3.437   1.501
   29    HB   VAL   4           HB       VAL   4   2.320   3.526   3.548
   30   1HG1  VAL   4          HG12      VAL   4   1.021   0.991   2.600
   31   2HG1  VAL   4          HG11      VAL   4   1.049   1.356   4.324
   32   3HG1  VAL   4          HG13      VAL   4   0.271   2.470   3.200
   33   1HG2  VAL   4          HG21      VAL   4   3.652   0.801   3.513
   34   2HG2  VAL   4          HG23      VAL   4   4.437   2.340   3.878
   35   3HG2  VAL   4          HG22      VAL   4   3.214   1.690   4.970
   36    H    GLN   5           HN       GLN   5   5.111   1.728   2.189
   37    HA   GLN   5           HA       GLN   5   6.414  -0.106   1.485
   38   1HB   GLN   5           HB2      GLN   5   3.624  -1.122   1.945
   39   2HB   GLN   5           HB1      GLN   5   4.899  -2.220   1.415
   40   1HG   GLN   5           HG2      GLN   5   6.279  -1.586   3.339
   41   2HG   GLN   5           HG1      GLN   5   5.044  -0.440   3.863
   42   1HE2  GLN   5          HE22      GLN   5   4.534  -3.661   5.720
   43   2HE2  GLN   5          HE21      GLN   5   5.826  -2.555   5.583
   44    H    ASP   6           HN       ASP   6   7.028   0.438  -0.563
   45    HA   ASP   6           HA       ASP   6   5.319   0.285  -2.907
   46   1HB   ASP   6           HB2      ASP   6   8.173   0.777  -2.196
   47   2HB   ASP   6           HB1      ASP   6   7.814   0.372  -3.874
   48    H    TRP   7           HN       TRP   7   7.372  -1.951  -1.192
   49    HA   TRP   7           HA       TRP   7   7.132  -3.931  -3.428
   50   1HB   TRP   7           HB2      TRP   7   9.034  -5.006  -2.028
   51   2HB   TRP   7           HB1      TRP   7   9.409  -3.547  -2.939
   52    HD1  TRP   7           HD1      TRP   7  10.478  -1.660  -1.617
   53    HE1  TRP   7           HE1      TRP   7  10.729  -1.054   0.875
   54    HE3  TRP   7           HE3      TRP   7   7.620  -5.324   0.465
   55    HZ2  TRP   7           HZ2      TRP   7   9.833  -2.005   3.421
   56    HZ3  TRP   7           HZ3      TRP   7   7.335  -5.462   2.925
   57    HH2  TRP   7           HH2      TRP   7   8.436  -3.804   4.404
   58    H    GLY   8           HN       GLY   8   6.155  -3.188  -0.226
   59   1HA   GLY   8           HA2      GLY   8   5.222  -5.995   0.173
   60   2HA   GLY   8           HA1      GLY   8   5.624  -4.904   1.499
   61    H    HIS   9           HN       HIS   9   3.401  -5.200  -1.266
   62    HA   HIS   9           HA       HIS   9   1.535  -3.243  -0.159
   63   1HB   HIS   9           HB2      HIS   9   1.350  -5.282  -2.403
   64   2HB   HIS   9           HB1      HIS   9   0.196  -3.977  -2.124
   65    HD1  HIS   9           HD1      HIS   9   0.933  -3.071  -4.533
   66    HD2  HIS   9           HD2      HIS   9   3.889  -2.943  -1.597
   67    HE1  HIS   9           HE1      HIS   9   2.742  -1.528  -5.405
   68    H    HIS  10           HN       HIS  10  -0.873  -4.050   0.006
   69    HA   HIS  10           HA       HIS  10  -0.983  -6.725   1.338
   70   1HB   HIS  10           HB2      HIS  10  -2.748  -5.018   2.738
   71   2HB   HIS  10           HB1      HIS  10  -1.231  -5.683   3.329
   72    HD1  HIS  10           HD1      HIS  10   0.592  -4.037   3.833
   73    HD2  HIS  10           HD2      HIS  10  -2.352  -2.388   1.383
   74    HE1  HIS  10           HE1      HIS  10   1.172  -1.587   3.566
   75    H    ARG  11           HN       ARG  11  -3.562  -4.314   1.235
   76    HA   ARG  11           HA       ARG  11  -4.846  -5.537  -1.095
   77   1HB   ARG  11           HB2      ARG  11  -5.696  -7.201   0.213
   78   2HB   ARG  11           HB1      ARG  11  -5.303  -6.347   1.700
   79   1HG   ARG  11           HG2      ARG  11  -7.319  -5.106   1.648
   80   2HG   ARG  11           HG1      ARG  11  -7.628  -5.520  -0.041
   81   1HD   ARG  11           HD2      ARG  11  -7.725  -7.978   0.760
   82   2HD   ARG  11           HD1      ARG  11  -7.865  -7.302   2.396
   83    HE   ARG  11           HE       ARG  11  -9.953  -6.253   1.750
   84   1HH1  ARG  11          HH21      ARG  11 -10.661  -5.356  -0.522
   85   2HH1  ARG  11          HH22      ARG  11 -11.088  -6.632  -1.611
   86   1HH2  ARG  11          HH11      ARG  11  -9.557  -9.110   0.279
   87   2HH2  ARG  11          HH12      ARG  11 -10.465  -8.761  -1.160
   88    H    CYS  12           HN       CYS  12  -4.973  -3.376  -1.882
   89    HA   CYS  12           HA       CYS  12  -6.411  -1.368  -0.218
   90   1HB   CYS  12           HB2      CYS  12  -4.550  -1.390  -2.562
   91   2HB   CYS  12           HB1      CYS  12  -5.648  -0.016  -2.394
   92    H    THR  13           HN       THR  13  -6.508  -1.216  -3.706
   93    HA   THR  13           HA       THR  13  -9.324  -2.190  -3.781
   94    HB   THR  13           HB       THR  13  -8.576   0.513  -4.895
   95    HG1  THR  13           HG1      THR  13  -9.307  -0.178  -2.253
   96   1HG2  THR  13          HG21      THR  13 -10.726  -0.677  -5.498
   97   2HG2  THR  13          HG23      THR  13 -11.194  -0.542  -3.802
   98   3HG2  THR  13          HG22      THR  13 -10.944   0.913  -4.767
   99   1HN   NH2  14           HT1      NH2  14  -7.172  -3.524  -5.006
  100   2HN   NH2  14           HT2      NH2  14  -7.223  -3.285  -6.694
   
  No H/Q in entry =         100
  Start of MODEL   18
    1   1H    ILE   1           HT2      ILE   1  -6.001   4.436  -0.895
    2   2H    ILE   1           HT1      ILE   1  -6.479   5.771  -1.828
    3   3H    ILE   1           HT3      ILE   1  -5.076   4.909  -2.235
    4    HA   ILE   1           HA       ILE   1  -4.510   6.999  -1.138
    5    HB   ILE   1           HB       ILE   1  -6.580   7.236   0.103
    6   1HG1  ILE   1          HG12      ILE   1  -4.123   6.867   1.837
    7   2HG1  ILE   1          HG11      ILE   1  -4.756   8.372   1.167
    8   1HG2  ILE   1          HG21      ILE   1  -5.684   4.707   1.516
    9   2HG2  ILE   1          HG23      ILE   1  -7.023   5.716   2.059
   10   3HG2  ILE   1          HG22      ILE   1  -7.111   4.902   0.498
   11   1HD1  ILE   1          HD11      ILE   1  -6.235   6.647   3.176
   12   2HD1  ILE   1          HD13      ILE   1  -5.292   8.076   3.599
   13   3HD1  ILE   1          HD12      ILE   1  -6.727   8.235   2.585
   14    H    CYS   2           HN       CYS   2  -4.742   3.738   0.232
   15    HA   CYS   2           HA       CYS   2  -2.313   3.880   1.784
   16   1HB   CYS   2           HB2      CYS   2  -2.566   1.351   1.681
   17   2HB   CYS   2           HB1      CYS   2  -3.969   2.220   2.294
   18    H    VAL   3           HN       VAL   3  -0.423   4.352   0.738
   19    HA   VAL   3           HA       VAL   3   0.285   2.678  -1.629
   20    HB   VAL   3           HB       VAL   3   0.642   5.626  -1.110
   21   1HG1  VAL   3          HG12      VAL   3   2.080   3.789  -3.015
   22   2HG1  VAL   3          HG11      VAL   3   1.816   5.480  -3.441
   23   3HG1  VAL   3          HG13      VAL   3   2.744   5.068  -1.999
   24   1HG2  VAL   3          HG23      VAL   3  -1.040   3.931  -2.837
   25   2HG2  VAL   3          HG22      VAL   3  -1.299   5.590  -2.300
   26   3HG2  VAL   3          HG21      VAL   3  -0.261   5.265  -3.688
   27    H    VAL   4           HN       VAL   4   0.925   3.119   1.448
   28    HA   VAL   4           HA       VAL   4   3.725   3.600   1.672
   29    HB   VAL   4           HB       VAL   4   2.465   3.636   3.653
   30   1HG1  VAL   4          HG13      VAL   4   1.232   1.167   2.521
   31   2HG1  VAL   4          HG12      VAL   4   1.275   1.320   4.277
   32   3HG1  VAL   4          HG11      VAL   4   0.461   2.544   3.304
   33   1HG2  VAL   4          HG21      VAL   4   4.650   2.365   3.826
   34   2HG2  VAL   4          HG23      VAL   4   3.479   2.016   5.096
   35   3HG2  VAL   4          HG22      VAL   4   3.699   0.880   3.765
   36    H    GLN   5           HN       GLN   5   5.372   1.918   2.192
   37    HA   GLN   5           HA       GLN   5   6.658   0.106   1.373
   38   1HB   GLN   5           HB2      GLN   5   3.933  -1.149   1.794
   39   2HB   GLN   5           HB1      GLN   5   5.444  -2.040   1.625
   40   1HG   GLN   5           HG2      GLN   5   6.178  -1.471   3.721
   41   2HG   GLN   5           HG1      GLN   5   5.404   0.114   3.674
   42   1HE2  GLN   5          HE22      GLN   5   3.552  -2.313   5.982
   43   2HE2  GLN   5          HE21      GLN   5   5.214  -1.962   5.834
   44    H    ASP   6           HN       ASP   6   7.043   0.731  -0.748
   45    HA   ASP   6           HA       ASP   6   5.262   0.705  -2.954
   46   1HB   ASP   6           HB2      ASP   6   7.964   1.171  -2.405
   47   2HB   ASP   6           HB1      ASP   6   7.981  -0.145  -3.581
   48    H    TRP   7           HN       TRP   7   6.784  -1.885  -1.242
   49    HA   TRP   7           HA       TRP   7   5.908  -3.849  -3.330
   50   1HB   TRP   7           HB2      TRP   7   7.685  -5.256  -2.030
   51   2HB   TRP   7           HB1      TRP   7   8.253  -3.986  -3.110
   52    HD1  TRP   7           HD1      TRP   7   9.829  -2.273  -2.089
   53    HE1  TRP   7           HE1      TRP   7  10.497  -1.563   0.297
   54    HE3  TRP   7           HE3      TRP   7   6.566  -5.106   0.600
   55    HZ2  TRP   7           HZ2      TRP   7   9.741  -2.134   3.003
   56    HZ3  TRP   7           HZ3      TRP   7   6.553  -5.015   3.079
   57    HH2  TRP   7           HH2      TRP   7   8.135  -3.531   4.282
   58    H    GLY   8           HN       GLY   8   5.518  -2.740  -0.105
   59   1HA   GLY   8           HA2      GLY   8   4.513  -5.246   0.993
   60   2HA   GLY   8           HA1      GLY   8   4.427  -3.665   1.772
   61    H    HIS   9           HN       HIS   9   3.120  -4.967  -1.298
   62    HA   HIS   9           HA       HIS   9   0.579  -3.546  -0.836
   63   1HB   HIS   9           HB2      HIS   9   1.895  -5.160  -3.007
   64   2HB   HIS   9           HB1      HIS   9   0.157  -4.851  -3.094
   65    HD1  HIS   9           HD1      HIS   9   0.584  -3.275  -5.171
   66    HD2  HIS   9           HD2      HIS   9   2.335  -1.975  -1.617
   67    HE1  HIS   9           HE1      HIS   9   1.237  -0.855  -5.537
   68    H    HIS  10           HN       HIS  10  -0.699  -4.566   0.716
   69    HA   HIS  10           HA       HIS  10  -0.961  -7.538   0.554
   70   1HB   HIS  10           HB2      HIS  10  -0.903  -5.493   2.685
   71   2HB   HIS  10           HB1      HIS  10  -2.079  -6.785   2.923
   72    HD1  HIS  10           HD1      HIS  10  -1.098  -9.282   2.836
   73    HD2  HIS  10           HD2      HIS  10   1.743  -6.249   3.151
   74    HE1  HIS  10           HE1      HIS  10   1.056 -10.393   3.569
   75    H    ARG  11           HN       ARG  11  -2.933  -4.583   1.040
   76    HA   ARG  11           HA       ARG  11  -5.103  -5.715  -0.527
   77   1HB   ARG  11           HB2      ARG  11  -5.849  -6.933   1.253
   78   2HB   ARG  11           HB1      ARG  11  -4.880  -6.012   2.399
   79   1HG   ARG  11           HG2      ARG  11  -6.527  -4.245   2.460
   80   2HG   ARG  11           HG1      ARG  11  -7.458  -5.001   1.169
   81   1HD   ARG  11           HD2      ARG  11  -8.621  -6.084   2.797
   82   2HD   ARG  11           HD1      ARG  11  -7.141  -6.999   3.139
   83    HE   ARG  11           HE       ARG  11  -8.179  -5.123   4.927
   84   1HH1  ARG  11          HH11      ARG  11  -5.372  -6.645   4.695
   85   2HH1  ARG  11          HH12      ARG  11  -4.328  -5.322   5.118
   86   1HH2  ARG  11          HH21      ARG  11  -6.800  -2.914   4.763
   87   2HH2  ARG  11          HH22      ARG  11  -5.141  -3.214   5.159
   88    H    CYS  12           HN       CYS  12  -5.200  -3.776  -1.659
   89    HA   CYS  12           HA       CYS  12  -5.962  -1.340  -0.092
   90   1HB   CYS  12           HB2      CYS  12  -3.955  -1.845  -2.235
   91   2HB   CYS  12           HB1      CYS  12  -4.837  -0.318  -2.323
   92    H    THR  13           HN       THR  13  -5.833  -1.350  -3.578
   93    HA   THR  13           HA       THR  13  -8.810  -1.670  -3.701
   94    HB   THR  13           HB       THR  13  -8.416   0.685  -3.683
   95    HG1  THR  13           HG1      THR  13  -8.853   1.243  -5.892
   96   1HG2  THR  13          HG22      THR  13  -5.963   0.538  -4.000
   97   2HG2  THR  13          HG21      THR  13  -6.218   0.180  -5.708
   98   3HG2  THR  13          HG23      THR  13  -6.685   1.751  -5.058
   99   1HN   NH2  14           HT1      NH2  14  -9.514  -2.068  -6.075
  100   2HN   NH2  14           HT2      NH2  14  -8.447  -2.944  -7.078
   
  No H/Q in entry =         100
  Start of MODEL   19
    1   1H    ILE   1           HT2      ILE   1  -6.623   4.455  -0.064
    2   2H    ILE   1           HT1      ILE   1  -7.261   5.696  -1.034
    3   3H    ILE   1           HT3      ILE   1  -5.829   4.912  -1.497
    4    HA   ILE   1           HA       ILE   1  -5.246   7.040  -0.584
    5    HB   ILE   1           HB       ILE   1  -7.588   6.685   0.747
    6   1HG1  ILE   1          HG12      ILE   1  -5.286   8.511   1.487
    7   2HG1  ILE   1          HG11      ILE   1  -6.592   8.850   0.349
    8   1HG2  ILE   1          HG22      ILE   1  -6.328   5.088   2.328
    9   2HG2  ILE   1          HG21      ILE   1  -5.539   6.533   2.963
   10   3HG2  ILE   1          HG23      ILE   1  -7.294   6.361   3.076
   11   1HD1  ILE   1          HD13      ILE   1  -7.924   8.131   2.685
   12   2HD1  ILE   1          HD12      ILE   1  -6.565   9.095   3.262
   13   3HD1  ILE   1          HD11      ILE   1  -7.697   9.776   2.093
   14    H    CYS   2           HN       CYS   2  -4.621   3.938  -0.359
   15    HA   CYS   2           HA       CYS   2  -2.399   4.296   1.618
   16   1HB   CYS   2           HB2      CYS   2  -2.803   1.767   1.991
   17   2HB   CYS   2           HB1      CYS   2  -3.979   2.887   2.679
   18    H    VAL   3           HN       VAL   3  -0.551   4.307   0.413
   19    HA   VAL   3           HA       VAL   3  -0.230   2.204  -1.678
   20    HB   VAL   3           HB       VAL   3   0.238   5.173  -1.785
   21   1HG1  VAL   3          HG12      VAL   3   1.529   2.993  -3.426
   22   2HG1  VAL   3          HG11      VAL   3   1.295   4.610  -4.087
   23   3HG1  VAL   3          HG13      VAL   3   2.296   4.379  -2.655
   24   1HG2  VAL   3          HG21      VAL   3  -1.578   3.222  -3.009
   25   2HG2  VAL   3          HG23      VAL   3  -1.744   4.973  -2.878
   26   3HG2  VAL   3          HG22      VAL   3  -0.807   4.272  -4.197
   27    H    VAL   4           HN       VAL   4   0.743   3.112   1.173
   28    HA   VAL   4           HA       VAL   4   3.546   3.524   1.118
   29    HB   VAL   4           HB       VAL   4   2.303   3.810   3.128
   30   1HG1  VAL   4          HG12      VAL   4   1.289   1.081   2.455
   31   2HG1  VAL   4          HG11      VAL   4   1.351   1.548   4.156
   32   3HG1  VAL   4          HG13      VAL   4   0.399   2.499   3.014
   33   1HG2  VAL   4          HG22      VAL   4   4.580   2.892   3.472
   34   2HG2  VAL   4          HG21      VAL   4   3.470   2.377   4.740
   35   3HG2  VAL   4          HG23      VAL   4   3.908   1.262   3.449
   36    H    GLN   5           HN       GLN   5   5.125   1.761   1.938
   37    HA   GLN   5           HA       GLN   5   6.281  -0.236   1.371
   38   1HB   GLN   5           HB2      GLN   5   3.388  -1.058   1.610
   39   2HB   GLN   5           HB1      GLN   5   4.661  -2.225   1.271
   40   1HG   GLN   5           HG2      GLN   5   5.754  -1.811   3.337
   41   2HG   GLN   5           HG1      GLN   5   4.837  -0.332   3.616
   42   1HE2  GLN   5          HE22      GLN   5   2.139  -2.013   5.167
   43   2HE2  GLN   5          HE21      GLN   5   2.830  -0.519   4.717
   44    H    ASP   6           HN       ASP   6   6.958   0.388  -0.690
   45    HA   ASP   6           HA       ASP   6   5.312   0.305  -3.062
   46   1HB   ASP   6           HB2      ASP   6   8.307   0.279  -2.596
   47   2HB   ASP   6           HB1      ASP   6   7.531   0.650  -4.135
   48    H    TRP   7           HN       TRP   7   7.176  -2.044  -1.305
   49    HA   TRP   7           HA       TRP   7   6.866  -4.027  -3.538
   50   1HB   TRP   7           HB2      TRP   7   8.790  -5.125  -2.165
   51   2HB   TRP   7           HB1      TRP   7   9.171  -3.690  -3.115
   52    HD1  TRP   7           HD1      TRP   7  10.293  -1.794  -1.848
   53    HE1  TRP   7           HE1      TRP   7  10.566  -1.123   0.626
   54    HE3  TRP   7           HE3      TRP   7   7.438  -5.390   0.355
   55    HZ2  TRP   7           HZ2      TRP   7   9.694  -2.008   3.205
   56    HZ3  TRP   7           HZ3      TRP   7   7.177  -5.467   2.816
   57    HH2  TRP   7           HH2      TRP   7   8.300  -3.780   4.246
   58    H    GLY   8           HN       GLY   8   5.964  -3.225  -0.328
   59   1HA   GLY   8           HA2      GLY   8   4.996  -6.018   0.115
   60   2HA   GLY   8           HA1      GLY   8   5.559  -4.984   1.426
   61    H    HIS   9           HN       HIS   9   3.084  -5.095  -1.138
   62    HA   HIS   9           HA       HIS   9   1.398  -3.152   0.285
   63   1HB   HIS   9           HB2      HIS   9   1.273  -4.787  -2.244
   64   2HB   HIS   9           HB1      HIS   9  -0.152  -3.911  -1.672
   65    HD1  HIS   9           HD1      HIS   9  -0.248  -1.445  -2.174
   66    HD2  HIS   9           HD2      HIS   9   3.596  -2.986  -2.677
   67    HE1  HIS   9           HE1      HIS   9   1.153   0.422  -3.162
   68    H    HIS  10           HN       HIS  10  -1.108  -4.075   0.174
   69    HA   HIS  10           HA       HIS  10  -1.157  -6.777   1.442
   70   1HB   HIS  10           HB2      HIS  10  -1.479  -4.173   2.676
   71   2HB   HIS  10           HB1      HIS  10  -2.946  -5.132   2.869
   72    HD1  HIS  10           HD1      HIS  10  -1.404  -7.930   2.928
   73    HD2  HIS  10           HD2      HIS  10  -0.543  -4.618   5.306
   74    HE1  HIS  10           HE1      HIS  10  -0.200  -8.812   4.974
   75    H    ARG  11           HN       ARG  11  -3.671  -4.291   1.268
   76    HA   ARG  11           HA       ARG  11  -4.985  -5.516  -1.047
   77   1HB   ARG  11           HB2      ARG  11  -7.005  -6.112   0.446
   78   2HB   ARG  11           HB1      ARG  11  -5.598  -7.171   0.550
   79   1HG   ARG  11           HG2      ARG  11  -4.830  -6.011   2.560
   80   2HG   ARG  11           HG1      ARG  11  -6.161  -4.863   2.434
   81   1HD   ARG  11           HD2      ARG  11  -7.704  -6.364   3.248
   82   2HD   ARG  11           HD1      ARG  11  -6.910  -7.750   2.476
   83    HE   ARG  11           HE       ARG  11  -6.086  -6.511   5.051
   84   1HH1  ARG  11          HH21      ARG  11  -4.530  -8.023   2.523
   85   2HH1  ARG  11          HH22      ARG  11  -3.954  -9.376   3.439
   86   1HH2  ARG  11          HH11      ARG  11  -5.812  -8.604   6.263
   87   2HH2  ARG  11          HH12      ARG  11  -4.670  -9.704   5.550
   88    H    CYS  12           HN       CYS  12  -4.644  -3.123  -1.496
   89    HA   CYS  12           HA       CYS  12  -6.564  -1.340  -0.075
   90   1HB   CYS  12           HB2      CYS  12  -4.137  -1.025  -1.823
   91   2HB   CYS  12           HB1      CYS  12  -5.272   0.322  -1.672
   92    H    THR  13           HN       THR  13  -5.546  -1.080  -3.444
   93    HA   THR  13           HA       THR  13  -8.408  -1.441  -4.277
   94    HB   THR  13           HB       THR  13  -6.320   0.526  -5.268
   95    HG1  THR  13           HG1      THR  13  -7.584   2.023  -4.198
   96   1HG2  THR  13          HG21      THR  13  -8.322  -0.489  -6.757
   97   2HG2  THR  13          HG23      THR  13  -9.206   0.794  -5.929
   98   3HG2  THR  13          HG22      THR  13  -7.785   1.186  -6.900
   99   1HN   NH2  14           HT1      NH2  14  -7.069  -3.747  -4.523
  100   2HN   NH2  14           HT2      NH2  14  -6.488  -4.011  -6.105
   
  No H/Q in entry =         100
  Start of MODEL   20
    1   1H    ILE   1           HT1      ILE   1  -6.035   2.965  -0.910
    2   2H    ILE   1           HT3      ILE   1  -6.974   3.877  -1.988
    3   3H    ILE   1           HT2      ILE   1  -5.410   3.381  -2.433
    4    HA   ILE   1           HA       ILE   1  -5.143   5.623  -1.864
    5    HB   ILE   1           HB       ILE   1  -7.529   5.401  -0.801
    6   1HG1  ILE   1          HG12      ILE   1  -5.394   7.275   0.257
    7   2HG1  ILE   1          HG11      ILE   1  -6.458   7.550  -1.124
    8   1HG2  ILE   1          HG22      ILE   1  -6.253   3.967   1.100
    9   2HG2  ILE   1          HG21      ILE   1  -6.134   5.573   1.819
   10   3HG2  ILE   1          HG23      ILE   1  -7.715   4.898   1.426
   11   1HD1  ILE   1          HD13      ILE   1  -8.210   6.951   0.960
   12   2HD1  ILE   1          HD12      ILE   1  -6.978   7.958   1.721
   13   3HD1  ILE   1          HD11      ILE   1  -7.869   8.560   0.323
   14    H    CYS   2           HN       CYS   2  -4.033   2.831  -0.980
   15    HA   CYS   2           HA       CYS   2  -2.251   3.903   1.182
   16   1HB   CYS   2           HB2      CYS   2  -2.252   1.042   1.162
   17   2HB   CYS   2           HB1      CYS   2  -2.840   2.112   2.426
   18    H    VAL   3           HN       VAL   3  -0.329   4.340   0.200
   19    HA   VAL   3           HA       VAL   3   0.702   2.398  -1.825
   20    HB   VAL   3           HB       VAL   3   0.885   5.372  -1.455
   21   1HG1  VAL   3          HG11      VAL   3   2.765   3.603  -3.040
   22   2HG1  VAL   3          HG13      VAL   3   2.581   5.327  -3.356
   23   3HG1  VAL   3          HG12      VAL   3   3.189   4.777  -1.794
   24   1HG2  VAL   3          HG22      VAL   3  -0.378   3.495  -3.284
   25   2HG2  VAL   3          HG21      VAL   3  -0.666   5.224  -3.091
   26   3HG2  VAL   3          HG23      VAL   3   0.622   4.658  -4.156
   27    H    VAL   4           HN       VAL   4   0.989   3.013   1.271
   28    HA   VAL   4           HA       VAL   4   3.713   3.521   1.833
   29    HB   VAL   4           HB       VAL   4   2.405   3.492   3.731
   30   1HG1  VAL   4          HG12      VAL   4   0.977   1.285   2.337
   31   2HG1  VAL   4          HG11      VAL   4   0.919   1.278   4.100
   32   3HG1  VAL   4          HG13      VAL   4   0.322   2.676   3.204
   33   1HG2  VAL   4          HG22      VAL   4   4.399   1.778   3.812
   34   2HG2  VAL   4          HG21      VAL   4   3.273   1.889   5.162
   35   3HG2  VAL   4          HG23      VAL   4   3.105   0.592   3.977
   36    H    GLN   5           HN       GLN   5   5.477   2.132   2.174
   37    HA   GLN   5           HA       GLN   5   6.929   0.438   1.346
   38   1HB   GLN   5           HB2      GLN   5   4.575  -0.742   2.751
   39   2HB   GLN   5           HB1      GLN   5   5.714  -1.835   1.967
   40   1HG   GLN   5           HG2      GLN   5   6.389  -1.472   4.302
   41   2HG   GLN   5           HG1      GLN   5   7.578  -0.768   3.210
   42   1HE2  GLN   5          HE22      GLN   5   6.845   2.597   4.145
   43   2HE2  GLN   5          HE21      GLN   5   7.538   1.616   2.935
   44    H    ASP   6           HN       ASP   6   6.866   0.762  -0.861
   45    HA   ASP   6           HA       ASP   6   4.827   0.030  -2.705
   46   1HB   ASP   6           HB2      ASP   6   7.716   0.696  -2.696
   47   2HB   ASP   6           HB1      ASP   6   7.130  -0.145  -4.131
   48    H    TRP   7           HN       TRP   7   7.683  -1.773  -1.605
   49    HA   TRP   7           HA       TRP   7   7.025  -4.139  -3.209
   50   1HB   TRP   7           HB2      TRP   7   8.922  -5.073  -1.701
   51   2HB   TRP   7           HB1      TRP   7   9.329  -3.765  -2.807
   52    HD1  TRP   7           HD1      TRP   7  10.499  -1.779  -1.773
   53    HE1  TRP   7           HE1      TRP   7  10.814  -0.841   0.606
   54    HE3  TRP   7           HE3      TRP   7   7.501  -4.978   0.828
   55    HZ2  TRP   7           HZ2      TRP   7   9.907  -1.380   3.263
   56    HZ3  TRP   7           HZ3      TRP   7   7.237  -4.744   3.280
   57    HH2  TRP   7           HH2      TRP   7   8.436  -2.950   4.499
   58    H    GLY   8           HN       GLY   8   6.106  -2.893  -0.159
   59   1HA   GLY   8           HA2      GLY   8   5.098  -5.578   0.672
   60   2HA   GLY   8           HA1      GLY   8   5.527  -4.301   1.809
   61    H    HIS   9           HN       HIS   9   3.311  -4.907  -0.927
   62    HA   HIS   9           HA       HIS   9   1.397  -2.919   0.188
   63   1HB   HIS   9           HB2      HIS   9   1.895  -4.344  -2.395
   64   2HB   HIS   9           HB1      HIS   9   0.246  -3.812  -2.062
   65    HD1  HIS   9           HD1      HIS   9   1.452  -2.381  -4.336
   66    HD2  HIS   9           HD2      HIS   9   2.133  -1.116  -0.423
   67    HE1  HIS   9           HE1      HIS   9   2.138   0.050  -4.482
   68    H    HIS  10           HN       HIS  10  -0.904  -3.606   0.396
   69    HA   HIS  10           HA       HIS  10  -1.110  -6.447   1.311
   70   1HB   HIS  10           HB2      HIS  10  -2.614  -3.907   2.021
   71   2HB   HIS  10           HB1      HIS  10  -3.000  -5.498   2.678
   72    HD1  HIS  10           HD1      HIS  10  -0.363  -6.675   3.401
   73    HD2  HIS  10           HD2      HIS  10  -1.152  -2.620   3.974
   74    HE1  HIS  10           HE1      HIS  10   1.268  -5.869   5.165
   75    H    ARG  11           HN       ARG  11  -3.751  -4.241   0.570
   76    HA   ARG  11           HA       ARG  11  -4.395  -5.190  -2.050
   77   1HB   ARG  11           HB2      ARG  11  -6.222  -6.776  -1.379
   78   2HB   ARG  11           HB1      ARG  11  -4.619  -7.343  -0.914
   79   1HG   ARG  11           HG2      ARG  11  -5.161  -6.036   1.323
   80   2HG   ARG  11           HG1      ARG  11  -6.830  -6.289   0.808
   81   1HD   ARG  11           HD2      ARG  11  -6.242  -8.757   0.506
   82   2HD   ARG  11           HD1      ARG  11  -4.726  -8.403   1.357
   83    HE   ARG  11           HE       ARG  11  -5.967  -8.123   3.355
   84   1HH1  ARG  11          HH11      ARG  11  -7.988  -8.123   0.552
   85   2HH1  ARG  11          HH12      ARG  11  -9.466  -8.087   1.464
   86   1HH2  ARG  11          HH21      ARG  11  -7.885  -8.047   4.546
   87   2HH2  ARG  11          HH22      ARG  11  -9.405  -8.040   3.714
   88    H    CYS  12           HN       CYS  12  -4.607  -2.695  -1.455
   89    HA   CYS  12           HA       CYS  12  -6.984  -1.839  -0.042
   90   1HB   CYS  12           HB2      CYS  12  -5.232  -0.459  -2.106
   91   2HB   CYS  12           HB1      CYS  12  -6.345   0.347  -0.998
   92    H    THR  13           HN       THR  13  -8.354  -0.137  -1.574
   93    HA   THR  13           HA       THR  13  -9.638  -1.887  -3.613
   94    HB   THR  13           HB       THR  13 -10.607   0.753  -2.505
   95    HG1  THR  13           HG1      THR  13 -11.059  -1.810  -1.392
   96   1HG2  THR  13          HG21      THR  13 -11.629  -1.081  -4.364
   97   2HG2  THR  13          HG23      THR  13 -12.541  -1.378  -2.884
   98   3HG2  THR  13          HG22      THR  13 -12.511   0.237  -3.592
   99   1HN   NH2  14           HT1      NH2  14  -7.109  -0.544  -4.331
  100   2HN   NH2  14           HT2      NH2  14  -7.471   0.596  -5.546
   
  No H/Q in entry =         100
  Start of MODEL   21
    1   1H    ILE   1           HT2      ILE   1  -6.402   5.094  -0.997
    2   2H    ILE   1           HT1      ILE   1  -6.754   6.421  -1.996
    3   3H    ILE   1           HT3      ILE   1  -5.296   5.578  -2.195
    4    HA   ILE   1           HA       ILE   1  -4.813   7.606  -1.046
    5    HB   ILE   1           HB       ILE   1  -7.387   7.436  -0.325
    6   1HG1  ILE   1          HG12      ILE   1  -6.129   9.486  -0.186
    7   2HG1  ILE   1          HG11      ILE   1  -6.890   9.228   1.385
    8   1HG2  ILE   1          HG21      ILE   1  -6.962   5.563   1.265
    9   2HG2  ILE   1          HG23      ILE   1  -5.914   6.630   2.200
   10   3HG2  ILE   1          HG22      ILE   1  -7.635   6.987   2.059
   11   1HD1  ILE   1          HD13      ILE   1  -4.765   8.193   2.193
   12   2HD1  ILE   1          HD12      ILE   1  -4.018   8.599   0.649
   13   3HD1  ILE   1          HD11      ILE   1  -4.567   9.882   1.726
   14    H    CYS   2           HN       CYS   2  -4.643   4.374  -0.705
   15    HA   CYS   2           HA       CYS   2  -2.613   4.565   1.490
   16   1HB   CYS   2           HB2      CYS   2  -3.477   2.296   2.208
   17   2HB   CYS   2           HB1      CYS   2  -4.634   3.610   2.437
   18    H    VAL   3           HN       VAL   3  -0.683   3.961   0.583
   19    HA   VAL   3           HA       VAL   3  -0.619   1.607  -1.225
   20    HB   VAL   3           HB       VAL   3   0.371   4.394  -1.819
   21   1HG1  VAL   3          HG13      VAL   3   1.046   1.747  -2.972
   22   2HG1  VAL   3          HG12      VAL   3   0.692   3.019  -4.142
   23   3HG1  VAL   3          HG11      VAL   3   1.984   3.241  -2.962
   24   1HG2  VAL   3          HG23      VAL   3  -1.881   2.674  -2.841
   25   2HG2  VAL   3          HG22      VAL   3  -1.920   4.364  -2.336
   26   3HG2  VAL   3          HG21      VAL   3  -1.181   3.921  -3.874
   27    H    VAL   4           HN       VAL   4   0.410   2.730   1.471
   28    HA   VAL   4           HA       VAL   4   3.146   3.076   1.649
   29    HB   VAL   4           HB       VAL   4   1.920   3.073   3.647
   30   1HG1  VAL   4          HG11      VAL   4   0.521   0.886   2.365
   31   2HG1  VAL   4          HG13      VAL   4   0.920   0.465   4.030
   32   3HG1  VAL   4          HG12      VAL   4  -0.017   1.920   3.690
   33   1HG2  VAL   4          HG22      VAL   4   3.353   0.400   3.596
   34   2HG2  VAL   4          HG21      VAL   4   4.086   1.958   3.981
   35   3HG2  VAL   4          HG23      VAL   4   2.869   1.267   5.052
   36    H    GLN   5           HN       GLN   5   4.816   1.401   2.306
   37    HA   GLN   5           HA       GLN   5   6.173  -0.394   1.605
   38   1HB   GLN   5           HB2      GLN   5   3.404  -1.598   1.763
   39   2HB   GLN   5           HB1      GLN   5   4.870  -2.552   1.542
   40   1HG   GLN   5           HG2      GLN   5   5.528  -2.283   3.701
   41   2HG   GLN   5           HG1      GLN   5   5.024  -0.593   3.738
   42   1HE2  GLN   5          HE22      GLN   5   2.758  -2.644   5.955
   43   2HE2  GLN   5          HE21      GLN   5   4.448  -2.432   5.886
   44    H    ASP   6           HN       ASP   6   6.822   0.295  -0.414
   45    HA   ASP   6           HA       ASP   6   5.167   0.011  -2.818
   46   1HB   ASP   6           HB2      ASP   6   8.053   0.707  -2.225
   47   2HB   ASP   6           HB1      ASP   6   7.380   0.726  -3.856
   48    H    TRP   7           HN       TRP   7   7.422  -1.891  -1.047
   49    HA   TRP   7           HA       TRP   7   7.810  -3.809  -3.300
   50   1HB   TRP   7           HB2      TRP   7   9.325  -4.784  -1.297
   51   2HB   TRP   7           HB1      TRP   7   9.894  -3.496  -2.350
   52    HD1  TRP   7           HD1      TRP   7  10.353  -1.217  -1.310
   53    HE1  TRP   7           HE1      TRP   7  10.224  -0.235   1.068
   54    HE3  TRP   7           HE3      TRP   7   7.818  -4.953   1.008
   55    HZ2  TRP   7           HZ2      TRP   7   9.166  -0.953   3.627
   56    HZ3  TRP   7           HZ3      TRP   7   7.251  -4.792   3.421
   57    HH2  TRP   7           HH2      TRP   7   7.920  -2.794   4.730
   58    H    GLY   8           HN       GLY   8   5.958  -3.286  -0.493
   59   1HA   GLY   8           HA2      GLY   8   5.000  -6.090  -0.614
   60   2HA   GLY   8           HA1      GLY   8   5.446  -5.397   0.944
   61    H    HIS   9           HN       HIS   9   3.179  -5.081  -1.758
   62    HA   HIS   9           HA       HIS   9   1.548  -3.062  -0.405
   63   1HB   HIS   9           HB2      HIS   9   1.323  -4.779  -2.883
   64   2HB   HIS   9           HB1      HIS   9   0.010  -3.708  -2.378
   65    HD1  HIS   9           HD1      HIS   9   2.378  -3.548  -4.805
   66    HD2  HIS   9           HD2      HIS   9   1.717  -1.053  -1.531
   67    HE1  HIS   9           HE1      HIS   9   3.476  -1.333  -5.358
   68    H    HIS  10           HN       HIS  10  -0.312  -3.430   0.799
   69    HA   HIS  10           HA       HIS  10  -0.786  -6.160   1.771
   70   1HB   HIS  10           HB2      HIS  10  -1.183  -3.444   2.601
   71   2HB   HIS  10           HB1      HIS  10  -2.729  -4.289   2.689
   72    HD1  HIS  10           HD1      HIS  10  -3.076  -5.458   4.855
   73    HD2  HIS  10           HD2      HIS  10   0.973  -5.228   3.884
   74    HE1  HIS  10           HE1      HIS  10  -1.814  -6.529   6.775
   75    H    ARG  11           HN       ARG  11  -3.314  -3.807   0.958
   76    HA   ARG  11           HA       ARG  11  -4.356  -5.117  -1.360
   77   1HB   ARG  11           HB2      ARG  11  -6.263  -6.309  -0.151
   78   2HB   ARG  11           HB1      ARG  11  -4.672  -7.036   0.046
   79   1HG   ARG  11           HG2      ARG  11  -4.565  -5.436   2.163
   80   2HG   ARG  11           HG1      ARG  11  -6.322  -5.524   2.035
   81   1HD   ARG  11           HD2      ARG  11  -6.296  -7.930   2.234
   82   2HD   ARG  11           HD1      ARG  11  -4.528  -7.974   2.094
   83    HE   ARG  11           HE       ARG  11  -4.375  -6.919   4.290
   84   1HH1  ARG  11          HH11      ARG  11  -7.486  -6.217   3.427
   85   2HH1  ARG  11          HH12      ARG  11  -8.233  -6.763   4.896
   86   1HH2  ARG  11          HH21      ARG  11  -5.360  -8.281   6.105
   87   2HH2  ARG  11          HH22      ARG  11  -7.027  -7.925   6.411
   88    H    CYS  12           HN       CYS  12  -4.375  -2.572  -1.303
   89    HA   CYS  12           HA       CYS  12  -6.542  -1.304   0.185
   90   1HB   CYS  12           HB2      CYS  12  -4.531  -0.567  -1.919
   91   2HB   CYS  12           HB1      CYS  12  -5.878   0.529  -1.608
   92    H    THR  13           HN       THR  13  -6.108  -1.089  -3.326
   93    HA   THR  13           HA       THR  13  -9.028  -1.709  -3.643
   94    HB   THR  13           HB       THR  13  -7.368  -0.232  -5.661
   95    HG1  THR  13           HG1      THR  13  -8.417   0.875  -3.270
   96   1HG2  THR  13          HG22      THR  13  -9.825  -0.843  -5.934
   97   2HG2  THR  13          HG21      THR  13 -10.159   0.299  -4.631
   98   3HG2  THR  13          HG23      THR  13  -9.436   0.865  -6.137
   99   1HN   NH2  14           HT1      NH2  14  -9.578  -3.351  -5.177
  100   2HN   NH2  14           HT2      NH2  14  -8.428  -4.215  -6.092
   
  No H/Q in entry =         100

 
 
 
 
 
 
 
 
 
 
 
 


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