*HEADER    PEPTIDE TOXIN                           23-AUG-00   1E74
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT
*TITLE    2 MUTATION VARIANT R11E
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IM1(R11E);
*COMPND   3 CHAIN: A;
*COMPND   4 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;
*SOURCE   4 TISSUE: VENOM;
*SOURCE   5 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY.
*SOURCE   6  IM1 SEQUENCE FOUND NATURALLY IN CONUS IMPERIALIS VENOM
*KEYWDS    PEPTIDE TOXIN, NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE
*KEYWDS   2 RECEPTOR ANTAGONIST, ALPHA-CONOTOXIN, NMR SOLUTION
*KEYWDS   3 STRUCTURE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    J.P.ROGERS,P.LUGINBUHL,K.PEMBERTON,P.HARTY,D.E.WEMMER,
*AUTHOR   2 R.C.STEVENS




Upper Distance Constraints
==========================
  1 GLY  HA1     2 CYS  HN      3.05                
  1 GLY  HA2     2 CYS  HN      3.05                
  2 CYS  HN      2 CYS  HB2     4.14                
  2 CYS  HN      2 CYS  HB3     4.14                
  2 CYS  HN      2 CYS  QB      3.80                
  2 CYS  HN      3 CYS  HN      3.36                
  2 CYS  QB      3 CYS  HN      4.83                
  3 CYS  HN      3 CYS  QB      3.43                
  3 CYS  HN      4 SER  HN      3.30                
  4 SER  HN      4 SER  HB2     3.33                
  4 SER  HN      4 SER  HB3     3.33                
  4 SER  HN      4 SER  QB      3.12                
  5 ASP  HN      5 ASP  HB2     3.17                
  5 ASP  HN      5 ASP  HB3     2.93                
  5 ASP  HA      5 ASP  HB2     2.52                
  5 ASP  HA      6 PRO  HD2     3.17                
  5 ASP  HA      6 PRO  HD3     3.17                
  5 ASP  HA      6 PRO  QD      2.89                
  5 ASP  HB2     6 PRO  QD      5.88                
  6 PRO  HA      8 CYS  HN      4.32                
  6 PRO  HA      9 ALA  HN      4.11                
  6 PRO  QB      7 ARG  HN      4.24                
  6 PRO  QD      7 ARG  HN      4.92                
  7 ARG  HN      7 ARG  HB2     3.30                
  7 ARG  HN      7 ARG  HB3     3.30                
  7 ARG  HN      7 ARG  QB      3.10                
  7 ARG  HN      7 ARG  QG      4.42                
  7 ARG  HN      8 CYS  HN      2.83                
  7 ARG  HA      7 ARG  QD      5.04                
  7 ARG  HA      7 ARG  HE      5.50                
  7 ARG  HA      8 CYS  HN      3.17                
  7 ARG  HB2     7 ARG  HE      4.32                
  7 ARG  HB3     7 ARG  HE      4.32                
  7 ARG  QB      7 ARG  HE      4.06                
  8 CYS  HN      8 CYS  HB2     3.02                
  8 CYS  HN      8 CYS  HB3     3.02                
  8 CYS  HN      9 ALA  HN      2.71                
  9 ALA  HN     10 TRP  HN      3.36                
  9 ALA  HA     10 TRP  HN      3.42                
  9 ALA  HA     12 CYS  HB2     3.73                
  9 ALA  HA     12 CYS  HB3     3.73                
  9 ALA  HA     12 CYS  QB      3.52                
 10 TRP  HN     10 TRP  HB2     3.27                
 10 TRP  HN     10 TRP  HB3     3.27                
 10 TRP  HN     10 TRP  QB      3.02                
 10 TRP  HN     10 TRP  HD1     2.93                
 10 TRP  HN     11 GLU  HN      3.02                
 10 TRP  HB2    11 GLU  HN      3.02                
 10 TRP  HB3    11 GLU  HN      3.02                
 11 GLU  HN     11 GLU  HB2     3.48                
 11 GLU  HN     11 GLU  HB3     3.48                
 11 GLU  HN     11 GLU  QG      4.76                
 11 GLU  HN     12 CYS  HN      3.33                
 11 GLU  HA     12 CYS  HN      3.17                
 12 CYS  HN     12 CYS  HA      2.40                
 12 CYS  HN     12 CYS  HB2     3.14                
 12 CYS  HN     12 CYS  HB3     3.14                
 12 CYS  HN     13 NH2  1HN     4.26                
 12 CYS  HB2    13 NH2  1HN     5.19                
 12 CYS  HB3    13 NH2  1HN     5.19                
 12 CYS  QB     13 NH2  1HN     5.04                

Dihedral Angle Constraints
==========================
   2 CYS   PHI      45.0   295.0
   2 CYS   PHI    -175.0    95.0
   2 CYS   PHI     -85.0   205.0
   3 CYS   PHI     -65.0   -45.0
   3 CYS   CHI1     25.0   325.0
   4 SER   PHI    -155.0   -75.0
   4 SER   PHI    -105.0   225.0
   4 SER   CHI1     35.0   255.0
   4 SER   CHI1   -135.0    45.0
   5 ASP   PHI    -145.0   -85.0
   5 ASP   CHI1    155.0   185.0
   7 ARG   PHI    -165.0   -65.0
   7 ARG   PHI     -85.0   205.0
   7 ARG   CHI1   -195.0   -85.0
   8 CYS   PHI    -155.0   -85.0
   8 CYS   PHI    -115.0   235.0
   8 CYS   CHI1   -215.0  -115.0
   9 ALA   PHI      25.0   325.0
   9 ALA   PHI    -205.0    95.0
  10 TRP   PHI     -65.0   -45.0
  10 TRP   CHI1   -105.0   -85.0
  11 GLU   PHI      25.0   295.0
  11 GLU   PHI    -185.0    75.0
  11 GLU   CHI1   -215.0   105.0
  12 CYS   PHI      35.0    55.0
  12 CYS   CHI1    145.0   175.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   6.107   1.366   3.728
    2    H2   GLY   1           H2       GLY   1   6.591   1.022   2.203
    3    H3   GLY   1           H3       GLY   1   7.215   0.166   3.476
    4   1HA   GLY   1          2HA       GLY   1   8.812   1.765   2.669
    5   2HA   GLY   1          1HA       GLY   1   8.286   2.126   4.325
    6    H    CYS   2           H        CYS   2   9.248   4.237   3.394
    7    HA   CYS   2           HA       CYS   2   7.044   5.980   3.501
    8   1HB   CYS   2          2HB       CYS   2   8.589   7.703   3.706
    9   2HB   CYS   2          1HB       CYS   2   9.321   6.324   4.514
   10    H    CYS   3           H        CYS   3   8.269   4.584   0.630
   11    HA   CYS   3           HA       CYS   3   8.079   6.642  -1.265
   12   1HB   CYS   3          1HB       CYS   3   7.311   3.704  -1.358
   13   2HB   CYS   3          2HB       CYS   3   7.183   4.737  -2.759
   14    H    SER   4           H        SER   4   5.491   5.173   0.608
   15    HA   SER   4           HA       SER   4   3.295   6.073  -1.073
   16   1HB   SER   4          1HB       SER   4   3.707   4.574   1.469
   17   2HB   SER   4          2HB       SER   4   2.293   5.631   1.484
   18    HG   SER   4           HG       SER   4   1.755   3.611   0.671
   19    H    ASP   5           H        ASP   5   5.510   7.938   0.633
   20    HA   ASP   5           HA       ASP   5   3.537  10.110   1.047
   21   1HB   ASP   5          1HB       ASP   5   4.541   9.624   3.183
   22   2HB   ASP   5          2HB       ASP   5   6.152   9.517   2.478
   23    HA   PRO   6           HA       PRO   6   5.864  11.341  -2.630
   24   1HB   PRO   6          1HB       PRO   6   5.042  13.982  -2.819
   25   2HB   PRO   6          2HB       PRO   6   4.049  12.583  -3.328
   26   1HG   PRO   6          2HG       PRO   6   3.963  14.009  -0.650
   27   2HG   PRO   6          1HG       PRO   6   2.600  13.640  -1.750
   28   1HD   PRO   6          1HD       PRO   6   3.101  12.001   0.280
   29   2HD   PRO   6          2HD       PRO   6   2.788  11.284  -1.325
   30    H    ARG   7           H        ARG   7   5.942  13.135   0.473
   31    HA   ARG   7           HA       ARG   7   8.409  14.526  -0.252
   32   1HB   ARG   7          1HB       ARG   7   6.574  15.397   1.241
   33   2HB   ARG   7          2HB       ARG   7   7.142  14.293   2.498
   34   1HG   ARG   7          1HG       ARG   7   8.837  15.683   3.047
   35   2HG   ARG   7          2HG       ARG   7   9.359  15.850   1.376
   36   1HD   ARG   7          1HD       ARG   7   8.816  18.038   2.174
   37   2HD   ARG   7          2HD       ARG   7   7.607  17.569   0.990
   38    HE   ARG   7           HE       ARG   7   6.002  17.801   2.547
   39   1HH1  ARG   7          1HH1      ARG   7   5.133  18.359   4.599
   40   2HH1  ARG   7          2HH1      ARG   7   6.128  18.345   6.023
   41   1HH2  ARG   7          1HH2      ARG   7   9.077  17.449   4.318
   42   2HH2  ARG   7          2HH2      ARG   7   8.344  17.626   5.882
   43    H    CYS   8           H        CYS   8   7.994  11.353   0.210
   44    HA   CYS   8           HA       CYS   8  10.824  11.107   0.955
   45   1HB   CYS   8          1HB       CYS   8   9.227  10.512   2.873
   46   2HB   CYS   8          2HB       CYS   8   8.766   9.127   1.906
   47    H    ALA   9           H        ALA   9   8.895  11.034  -1.590
   48    HA   ALA   9           HA       ALA   9   9.637   8.335  -2.593
   49   1HB   ALA   9          1HB       ALA   9   8.160   8.891  -4.451
   50   2HB   ALA   9          2HB       ALA   9   7.965  10.551  -3.847
   51   3HB   ALA   9          3HB       ALA   9   7.327   9.174  -2.911
   52    H    TRP  10           H        TRP  10  11.399  11.128  -2.277
   53    HA   TRP  10           HA       TRP  10  12.339  11.539  -4.959
   54   1HB   TRP  10          1HB       TRP  10  12.928  12.525  -2.184
   55   2HB   TRP  10          2HB       TRP  10  14.211  12.594  -3.360
   56    HD1  TRP  10           HD1      TRP  10  10.469  13.335  -4.046
   57    HE1  TRP  10           HE1      TRP  10  10.272  15.708  -5.039
   58    HE3  TRP  10           HE3      TRP  10  15.362  14.818  -3.633
   59    HZ2  TRP  10           HZ2      TRP  10  12.010  17.937  -5.567
   60    HZ3  TRP  10           HZ3      TRP  10  16.046  17.085  -4.338
   61    HH2  TRP  10           HH2      TRP  10  14.377  18.650  -5.315
   62    H    GLU  11           H        GLU  11  13.936  10.023  -2.014
   63    HA   GLU  11           HA       GLU  11  15.239   8.115  -3.787
   64   1HB   GLU  11          1HB       GLU  11  17.074   8.317  -2.215
   65   2HB   GLU  11          2HB       GLU  11  16.873   9.775  -3.164
   66   1HG   GLU  11          1HG       GLU  11  15.776   9.483  -0.328
   67   2HG   GLU  11          2HG       GLU  11  17.466   9.875  -0.616
   68    H    CYS  12           H        CYS  12  13.044   8.464  -1.418
   69    HA   CYS  12           HA       CYS  12  12.176   7.125   0.257
   70   1HB   CYS  12          1HB       CYS  12  11.016   6.708  -1.788
   71   2HB   CYS  12          2HB       CYS  12  12.211   5.554  -2.318

  No H/Q in entry =          71
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  12.374   3.729   2.172
    2    H2   GLY   1           H2       GLY   1  12.546   4.350   3.676
    3    H3   GLY   1           H3       GLY   1  12.721   2.727   3.439
    4   1HA   GLY   1          2HA       GLY   1  10.599   3.209   4.447
    5   2HA   GLY   1          1HA       GLY   1  10.422   2.509   2.824
    6    H    CYS   2           H        CYS   2   8.486   4.165   4.163
    7    HA   CYS   2           HA       CYS   2   6.920   5.601   3.527
    8   1HB   CYS   2          1HB       CYS   2   7.551   8.017   3.581
    9   2HB   CYS   2          2HB       CYS   2   7.827   7.038   4.994
   10    H    CYS   3           H        CYS   3   7.878   4.191   1.309
   11    HA   CYS   3           HA       CYS   3   8.617   5.800  -0.882
   12   1HB   CYS   3          1HB       CYS   3   7.291   3.069  -0.799
   13   2HB   CYS   3          2HB       CYS   3   8.191   3.732  -2.165
   14    H    SER   4           H        SER   4   5.455   5.408   0.502
   15    HA   SER   4           HA       SER   4   4.139   6.300  -1.997
   16   1HB   SER   4          1HB       SER   4   3.313   4.748   0.380
   17   2HB   SER   4          2HB       SER   4   2.186   6.044  -0.040
   18    HG   SER   4           HG       SER   4   2.298   5.259  -2.219
   19    H    ASP   5           H        ASP   5   5.677   7.764   0.674
   20    HA   ASP   5           HA       ASP   5   3.699   9.931   1.001
   21   1HB   ASP   5          1HB       ASP   5   4.976   9.030   2.947
   22   2HB   ASP   5          2HB       ASP   5   6.465   9.557   2.198
   23    HA   PRO   6           HA       PRO   6   5.805  11.685  -2.589
   24   1HB   PRO   6          1HB       PRO   6   4.761  14.248  -2.579
   25   2HB   PRO   6          2HB       PRO   6   3.903  12.800  -3.190
   26   1HG   PRO   6          2HG       PRO   6   3.670  14.092  -0.458
   27   2HG   PRO   6          1HG       PRO   6   2.352  13.545  -1.546
   28   1HD   PRO   6          1HD       PRO   6   3.210  12.021   0.523
   29   2HD   PRO   6          2HD       PRO   6   2.758  11.268  -1.038
   30    H    ARG   7           H        ARG   7   6.043  12.976   0.710
   31    HA   ARG   7           HA       ARG   7   8.209  14.781   0.050
   32   1HB   ARG   7          1HB       ARG   7   6.512  14.795   2.077
   33   2HB   ARG   7          2HB       ARG   7   7.626  13.634   2.797
   34   1HG   ARG   7          1HG       ARG   7   9.460  15.423   2.434
   35   2HG   ARG   7          2HG       ARG   7   8.166  16.529   2.004
   36   1HD   ARG   7          1HD       ARG   7   8.361  15.003   4.637
   37   2HD   ARG   7          2HD       ARG   7   8.925  16.649   4.384
   38    HE   ARG   7           HE       ARG   7   6.155  16.355   3.613
   39   1HH1  ARG   7          1HH1      ARG   7   4.511  17.266   5.021
   40   2HH1  ARG   7          2HH1      ARG   7   4.996  17.826   6.602
   41   1HH2  ARG   7          1HH2      ARG   7   8.340  16.913   6.372
   42   2HH2  ARG   7          2HH2      ARG   7   7.070  17.533   7.393
   43    H    CYS   8           H        CYS   8   8.021  11.535   0.255
   44    HA   CYS   8           HA       CYS   8  10.894  11.129   1.050
   45   1HB   CYS   8          1HB       CYS   8   9.371  10.448   2.796
   46   2HB   CYS   8          2HB       CYS   8   8.469   9.453   1.650
   47    H    ALA   9           H        ALA   9   8.320  10.194  -1.204
   48    HA   ALA   9           HA       ALA   9   9.756   8.365  -2.823
   49   1HB   ALA   9          1HB       ALA   9   8.091   8.962  -4.512
   50   2HB   ALA   9          3HB       ALA   9   7.662  10.437  -3.621
   51   3HB   ALA   9          2HB       ALA   9   7.317   8.840  -2.921
   52    H    TRP  10           H        TRP  10  11.156  11.061  -1.977
   53    HA   TRP  10           HA       TRP  10  12.403  12.095  -4.376
   54   1HB   TRP  10          1HB       TRP  10  12.893  11.986  -1.381
   55   2HB   TRP  10          2HB       TRP  10  14.182  12.396  -2.462
   56    HD1  TRP  10           HD1      TRP  10  10.551  13.695  -2.783
   57    HE1  TRP  10           HE1      TRP  10  10.566  16.242  -2.683
   58    HE3  TRP  10           HE3      TRP  10  15.498  14.432  -1.674
   59    HZ2  TRP  10           HZ2      TRP  10  12.487  18.356  -2.191
   60    HZ3  TRP  10           HZ3      TRP  10  16.388  16.729  -1.378
   61    HH2  TRP  10           HH2      TRP  10  14.893  18.696  -1.652
   62    H    GLU  11           H        GLU  11  13.022   9.593  -1.861
   63    HA   GLU  11           HA       GLU  11  14.446   8.021  -3.920
   64   1HB   GLU  11          1HB       GLU  11  15.943   9.577  -2.286
   65   2HB   GLU  11          2HB       GLU  11  15.731   8.192  -1.210
   66   1HG   GLU  11          1HG       GLU  11  16.482   6.795  -3.348
   67   2HG   GLU  11          2HG       GLU  11  17.065   8.346  -3.933
   68    H    CYS  12           H        CYS  12  12.152   7.962  -1.615
   69    HA   CYS  12           HA       CYS  12  11.051   6.355  -0.394
   70   1HB   CYS  12          1HB       CYS  12  10.280   5.499  -2.303
   71   2HB   CYS  12          2HB       CYS  12  11.833   5.185  -2.976

  No H/Q in entry =          71
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  11.982   3.043   0.809
    2    H2   GLY   1           H2       GLY   1  12.684   3.256   2.283
    3    H3   GLY   1           H3       GLY   1  12.441   1.732   1.686
    4   1HA   GLY   1          2HA       GLY   1  10.851   2.439   3.439
    5   2HA   GLY   1          1HA       GLY   1  10.123   1.893   1.906
    6    H    CYS   2           H        CYS   2   8.893   3.737   3.807
    7    HA   CYS   2           HA       CYS   2   7.456   5.414   3.687
    8   1HB   CYS   2          2HB       CYS   2   8.324   7.670   3.474
    9   2HB   CYS   2          1HB       CYS   2   9.228   6.698   4.605
   10    H    CYS   3           H        CYS   3   7.897   3.960   1.001
   11    HA   CYS   3           HA       CYS   3   7.996   5.824  -1.042
   12   1HB   CYS   3          2HB       CYS   3   6.818   3.031  -1.090
   13   2HB   CYS   3          1HB       CYS   3   7.362   3.937  -2.496
   14    H    SER   4           H        SER   4   5.195   5.153   0.862
   15    HA   SER   4           HA       SER   4   3.181   5.919  -1.087
   16   1HB   SER   4          1HB       SER   4   3.356   5.309   1.843
   17   2HB   SER   4          2HB       SER   4   2.159   6.525   1.418
   18    HG   SER   4           HG       SER   4   1.010   4.821   1.128
   19    H    ASP   5           H        ASP   5   5.520   7.716   0.867
   20    HA   ASP   5           HA       ASP   5   3.860  10.138   1.027
   21   1HB   ASP   5          1HB       ASP   5   4.959   9.401   3.038
   22   2HB   ASP   5          2HB       ASP   5   6.515   9.284   2.224
   23    HA   PRO   6           HA       PRO   6   6.218  11.383  -2.702
   24   1HB   PRO   6          1HB       PRO   6   5.057  13.819  -3.176
   25   2HB   PRO   6          2HB       PRO   6   4.320  12.258  -3.642
   26   1HG   PRO   6          1HG       PRO   6   3.787  13.902  -1.161
   27   2HG   PRO   6          2HG       PRO   6   2.591  13.185  -2.276
   28   1HD   PRO   6          1HD       PRO   6   3.278  11.954   0.048
   29   2HD   PRO   6          2HD       PRO   6   3.016  10.991  -1.440
   30    H    ARG   7           H        ARG   7   6.002  12.983   0.437
   31    HA   ARG   7           HA       ARG   7   8.165  14.857  -0.081
   32   1HB   ARG   7          1HB       ARG   7   6.205  14.688   1.811
   33   2HB   ARG   7          2HB       ARG   7   7.514  13.890   2.675
   34   1HG   ARG   7          1HG       ARG   7   8.931  15.955   2.128
   35   2HG   ARG   7          2HG       ARG   7   7.447  16.714   1.550
   36   1HD   ARG   7          2HD       ARG   7   8.033  15.666   4.355
   37   2HD   ARG   7          1HD       ARG   7   7.848  17.355   3.915
   38    HE   ARG   7           HE       ARG   7   5.832  15.375   4.468
   39   1HH1  ARG   7          1HH1      ARG   7   3.639  15.730   4.240
   40   2HH1  ARG   7          2HH1      ARG   7   2.996  17.120   3.464
   41   1HH2  ARG   7          1HH2      ARG   7   6.258  18.444   2.679
   42   2HH2  ARG   7          2HH2      ARG   7   4.547  18.675   2.447
   43    H    CYS   8           H        CYS   8   8.035  11.612   0.078
   44    HA   CYS   8           HA       CYS   8  10.846  11.257   1.007
   45   1HB   CYS   8          1HB       CYS   8   8.658  10.454   2.379
   46   2HB   CYS   8          2HB       CYS   8   8.846   9.057   1.336
   47    H    ALA   9           H        ALA   9   8.443  10.570  -1.451
   48    HA   ALA   9           HA       ALA   9   9.762   8.607  -2.994
   49   1HB   ALA   9          1HB       ALA   9   8.422   9.511  -4.832
   50   2HB   ALA   9          3HB       ALA   9   8.083  10.980  -3.908
   51   3HB   ALA   9          2HB       ALA   9   7.442   9.400  -3.360
   52    H    TRP  10           H        TRP  10  11.087  11.491  -2.077
   53    HA   TRP  10           HA       TRP  10  12.805  12.293  -4.186
   54   1HB   TRP  10          1HB       TRP  10  12.705  12.314  -1.181
   55   2HB   TRP  10          2HB       TRP  10  14.277  12.432  -1.908
   56    HD1  TRP  10           HD1      TRP  10  10.856  14.255  -2.145
   57    HE1  TRP  10           HE1      TRP  10  11.265  16.740  -2.694
   58    HE3  TRP  10           HE3      TRP  10  15.962  14.198  -2.609
   59    HZ2  TRP  10           HZ2      TRP  10  13.480  18.472  -3.198
   60    HZ3  TRP  10           HZ3      TRP  10  17.184  16.272  -3.194
   61    HH2  TRP  10           HH2      TRP  10  15.955  18.412  -3.514
   62    H    GLU  11           H        GLU  11  12.965   9.630  -1.793
   63    HA   GLU  11           HA       GLU  11  14.841   8.257  -3.639
   64   1HB   GLU  11          1HB       GLU  11  15.970   9.468  -1.673
   65   2HB   GLU  11          2HB       GLU  11  15.184   8.311  -0.629
   66   1HG   GLU  11          1HG       GLU  11  16.536   6.756  -2.600
   67   2HG   GLU  11          2HG       GLU  11  17.627   8.073  -2.200
   68    H    CYS  12           H        CYS  12  12.208   7.997  -1.728
   69    HA   CYS  12           HA       CYS  12  10.941   6.270  -0.759
   70   1HB   CYS  12          1HB       CYS  12   9.978   6.045  -2.805
   71   2HB   CYS  12          2HB       CYS  12  11.450   5.554  -3.586

  No H/Q in entry =          71
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  11.420   1.559   2.614
    2    H2   GLY   1           H2       GLY   1  10.691   0.185   3.168
    3    H3   GLY   1           H3       GLY   1  10.259   0.843   1.709
    4   1HA   GLY   1          2HA       GLY   1   9.843   2.040   4.354
    5   2HA   GLY   1          1HA       GLY   1   8.582   1.332   3.323
    6    H    CYS   2           H        CYS   2   8.131   3.849   4.085
    7    HA   CYS   2           HA       CYS   2   7.720   5.913   3.622
    8   1HB   CYS   2          1HB       CYS   2  10.292   5.668   3.977
    9   2HB   CYS   2          2HB       CYS   2  10.400   6.183   2.298
   10    H    CYS   3           H        CYS   3   8.393   4.131   0.693
   11    HA   CYS   3           HA       CYS   3   8.312   6.080  -1.233
   12   1HB   CYS   3          1HB       CYS   3   6.968   3.380  -1.426
   13   2HB   CYS   3          2HB       CYS   3   7.608   4.315  -2.770
   14    H    SER   4           H        SER   4   5.542   5.280   0.757
   15    HA   SER   4           HA       SER   4   3.475   5.814  -1.150
   16   1HB   SER   4          1HB       SER   4   2.206   5.884   1.072
   17   2HB   SER   4          2HB       SER   4   3.035   4.378   0.689
   18    HG   SER   4           HG       SER   4   3.532   6.261   2.652
   19    H    ASP   5           H        ASP   5   5.583   7.669   0.992
   20    HA   ASP   5           HA       ASP   5   3.752   9.867   1.415
   21   1HB   ASP   5          1HB       ASP   5   5.123   9.065   3.216
   22   2HB   ASP   5          2HB       ASP   5   6.596   9.247   2.262
   23    HA   PRO   6           HA       PRO   6   5.169  11.772  -2.339
   24   1HB   PRO   6          1HB       PRO   6   4.048  14.265  -2.167
   25   2HB   PRO   6          2HB       PRO   6   3.085  12.776  -2.430
   26   1HG   PRO   6          1HG       PRO   6   3.662  14.174   0.202
   27   2HG   PRO   6          2HG       PRO   6   2.067  13.693  -0.437
   28   1HD   PRO   6          1HD       PRO   6   3.401  12.126   1.320
   29   2HD   PRO   6          2HD       PRO   6   2.532  11.380  -0.059
   30    H    ARG   7           H        ARG   7   6.113  12.960   0.828
   31    HA   ARG   7           HA       ARG   7   8.027  14.907  -0.228
   32   1HB   ARG   7          1HB       ARG   7   6.504  15.036   1.923
   33   2HB   ARG   7          2HB       ARG   7   7.703  13.985   2.636
   34   1HG   ARG   7          1HG       ARG   7   9.422  15.821   2.059
   35   2HG   ARG   7          2HG       ARG   7   8.016  16.840   1.713
   36   1HD   ARG   7          1HD       ARG   7   8.610  15.395   4.339
   37   2HD   ARG   7          2HD       ARG   7   8.810  17.115   4.056
   38    HE   ARG   7           HE       ARG   7   6.335  15.645   4.550
   39   1HH1  ARG   7          1HH1      ARG   7   4.427  16.885   5.031
   40   2HH1  ARG   7          2HH1      ARG   7   4.355  18.545   4.573
   41   1HH2  ARG   7          1HH2      ARG   7   7.647  18.716   3.275
   42   2HH2  ARG   7          2HH2      ARG   7   6.198  19.598   3.662
   43    H    CYS   8           H        CYS   8   7.847  11.673   0.110
   44    HA   CYS   8           HA       CYS   8  10.745  11.234   0.695
   45   1HB   CYS   8          1HB       CYS   8   8.705  10.384   2.181
   46   2HB   CYS   8          2HB       CYS   8   8.661   9.096   0.992
   47    H    ALA   9           H        ALA   9   8.456  10.993  -1.807
   48    HA   ALA   9           HA       ALA   9   9.504   8.868  -3.385
   49   1HB   ALA   9          1HB       ALA   9   8.395  10.002  -5.212
   50   2HB   ALA   9          3HB       ALA   9   7.372  10.180  -3.777
   51   3HB   ALA   9          2HB       ALA   9   8.394  11.539  -4.330
   52    H    TRP  10           H        TRP  10  11.389  11.354  -2.171
   53    HA   TRP  10           HA       TRP  10  13.207  11.942  -4.276
   54   1HB   TRP  10          1HB       TRP  10  13.196  11.799  -1.252
   55   2HB   TRP  10          2HB       TRP  10  14.690  11.940  -2.139
   56    HD1  TRP  10           HD1      TRP  10  11.857  13.902  -3.664
   57    HE1  TRP  10           HE1      TRP  10  12.254  16.391  -3.319
   58    HE3  TRP  10           HE3      TRP  10  15.755  13.666  -0.336
   59    HZ2  TRP  10           HZ2      TRP  10  13.895  18.085  -1.640
   60    HZ3  TRP  10           HZ3      TRP  10  16.675  15.737   0.652
   61    HH2  TRP  10           HH2      TRP  10  15.742  17.951   0.025
   62    H    GLU  11           H        GLU  11  13.381   9.485  -1.583
   63    HA   GLU  11           HA       GLU  11  14.866   7.739  -3.466
   64   1HB   GLU  11          1HB       GLU  11  16.189   9.436  -1.957
   65   2HB   GLU  11          2HB       GLU  11  15.854   8.282  -0.665
   66   1HG   GLU  11          1HG       GLU  11  17.037   6.514  -1.923
   67   2HG   GLU  11          2HG       GLU  11  17.172   7.580  -3.335
   68    H    CYS  12           H        CYS  12  12.275   7.831  -1.525
   69    HA   CYS  12           HA       CYS  12  10.931   6.182  -0.627
   70   1HB   CYS  12          1HB       CYS  12  10.223   6.232  -2.744
   71   2HB   CYS  12          2HB       CYS  12  11.754   5.810  -3.437

  No H/Q in entry =          71
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   5.670   1.743   3.820
    2    H2   GLY   1           H2       GLY   1   6.571   0.828   4.852
    3    H3   GLY   1           H3       GLY   1   6.024   2.306   5.322
    4   1HA   GLY   1          2HA       GLY   1   7.995   1.786   3.204
    5   2HA   GLY   1          1HA       GLY   1   8.341   2.462   4.813
    6    H    CYS   2           H        CYS   2   9.269   4.363   3.567
    7    HA   CYS   2           HA       CYS   2   7.215   6.383   3.559
    8   1HB   CYS   2          2HB       CYS   2   8.847   7.924   3.554
    9   2HB   CYS   2          1HB       CYS   2   9.675   6.594   4.345
   10    H    CYS   3           H        CYS   3   8.182   4.283   1.036
   11    HA   CYS   3           HA       CYS   3   8.355   5.980  -1.146
   12   1HB   CYS   3          1HB       CYS   3   8.657   3.400  -0.994
   13   2HB   CYS   3          2HB       CYS   3   6.930   3.316  -1.324
   14    H    SER   4           H        SER   4   5.399   4.973   0.564
   15    HA   SER   4           HA       SER   4   3.530   5.814  -1.445
   16   1HB   SER   4          1HB       SER   4   2.044   5.493   0.673
   17   2HB   SER   4          2HB       SER   4   2.825   4.088  -0.059
   18    HG   SER   4           HG       SER   4   3.360   5.444   2.330
   19    H    ASP   5           H        ASP   5   5.646   7.720   0.343
   20    HA   ASP   5           HA       ASP   5   3.672   9.870   0.853
   21   1HB   ASP   5          1HB       ASP   5   4.586   8.951   2.889
   22   2HB   ASP   5          2HB       ASP   5   6.236   9.178   2.305
   23    HA   PRO   6           HA       PRO   6   6.211  11.515  -2.525
   24   1HB   PRO   6          1HB       PRO   6   4.876  13.923  -2.860
   25   2HB   PRO   6          2HB       PRO   6   4.437  12.358  -3.602
   26   1HG   PRO   6          2HG       PRO   6   3.313  13.610  -1.096
   27   2HG   PRO   6          1HG       PRO   6   2.429  12.817  -2.440
   28   1HD   PRO   6          1HD       PRO   6   2.947  11.498  -0.154
   29   2HD   PRO   6          2HD       PRO   6   3.091  10.658  -1.724
   30    H    ARG   7           H        ARG   7   5.838  12.918   0.751
   31    HA   ARG   7           HA       ARG   7   7.894  14.898   0.265
   32   1HB   ARG   7          1HB       ARG   7   6.242  13.973   2.563
   33   2HB   ARG   7          2HB       ARG   7   7.867  14.415   3.002
   34   1HG   ARG   7          1HG       ARG   7   7.548  16.660   1.954
   35   2HG   ARG   7          2HG       ARG   7   5.919  16.184   1.478
   36   1HD   ARG   7          1HD       ARG   7   5.702  17.526   3.446
   37   2HD   ARG   7          2HD       ARG   7   5.318  15.867   3.882
   38    HE   ARG   7           HE       ARG   7   8.097  16.796   4.278
   39   1HH1  ARG   7          1HH1      ARG   7   8.983  16.415   6.376
   40   2HH1  ARG   7          2HH1      ARG   7   7.977  16.128   7.742
   41   1HH2  ARG   7          1HH2      ARG   7   4.936  16.472   5.870
   42   2HH2  ARG   7          2HH2      ARG   7   5.597  16.121   7.433
   43    H    CYS   8           H        CYS   8   8.008  11.643   0.378
   44    HA   CYS   8           HA       CYS   8  10.927  11.605   1.109
   45   1HB   CYS   8          1HB       CYS   8   9.316  10.484   2.741
   46   2HB   CYS   8          2HB       CYS   8   8.983   9.314   1.465
   47    H    ALA   9           H        ALA   9   8.534  10.797  -1.273
   48    HA   ALA   9           HA       ALA   9   9.539   8.621  -2.520
   49   1HB   ALA   9          1HB       ALA   9   8.274   9.350  -4.503
   50   2HB   ALA   9          2HB       ALA   9   8.181  10.994  -3.835
   51   3HB   ALA   9          3HB       ALA   9   7.373   9.639  -3.003
   52    H    TRP  10           H        TRP  10  11.191  11.700  -2.657
   53    HA   TRP  10           HA       TRP  10  12.720  11.631  -4.924
   54   1HB   TRP  10          1HB       TRP  10  13.063  12.392  -2.014
   55   2HB   TRP  10          2HB       TRP  10  14.468  12.337  -3.022
   56    HD1  TRP  10           HD1      TRP  10  11.553  13.560  -4.980
   57    HE1  TRP  10           HE1      TRP  10  11.763  16.068  -5.406
   58    HE3  TRP  10           HE3      TRP  10  15.229  14.632  -1.581
   59    HZ2  TRP  10           HZ2      TRP  10  13.389  18.263  -4.448
   60    HZ3  TRP  10           HZ3      TRP  10  16.079  16.953  -1.348
   61    HH2  TRP  10           HH2      TRP  10  15.181  18.769  -2.777
   62    H    GLU  11           H        GLU  11  13.391   9.787  -1.875
   63    HA   GLU  11           HA       GLU  11  15.040   7.962  -3.538
   64   1HB   GLU  11          1HB       GLU  11  16.142   9.141  -1.624
   65   2HB   GLU  11          2HB       GLU  11  15.113   8.240  -0.518
   66   1HG   GLU  11          1HG       GLU  11  16.922   6.862  -2.554
   67   2HG   GLU  11          2HG       GLU  11  17.532   7.418  -1.000
   68    H    CYS  12           H        CYS  12  12.181   8.227  -1.988
   69    HA   CYS  12           HA       CYS  12  10.441   6.891  -1.371
   70   1HB   CYS  12          1HB       CYS  12   9.974   6.444  -3.500
   71   2HB   CYS  12          2HB       CYS  12  11.568   5.878  -3.878

  No H/Q in entry =          71
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   6.059   1.928   2.406
    2    H2   GLY   1           H2       GLY   1   5.818   1.055   3.779
    3    H3   GLY   1           H3       GLY   1   4.866   2.361   3.461
    4   1HA   GLY   1          2HA       GLY   1   7.735   2.403   4.052
    5   2HA   GLY   1          1HA       GLY   1   6.433   2.924   5.143
    6    H    CYS   2           H        CYS   2   8.764   4.473   3.827
    7    HA   CYS   2           HA       CYS   2   7.176   6.817   3.342
    8   1HB   CYS   2          2HB       CYS   2   8.964   7.930   3.821
    9   2HB   CYS   2          1HB       CYS   2   9.699   6.419   4.297
   10    H    CYS   3           H        CYS   3   8.307   4.371   1.145
   11    HA   CYS   3           HA       CYS   3   8.541   5.693  -1.255
   12   1HB   CYS   3          1HB       CYS   3   7.798   3.000  -0.384
   13   2HB   CYS   3          2HB       CYS   3   6.863   3.472  -1.783
   14    H    SER   4           H        SER   4   5.403   5.126   0.477
   15    HA   SER   4           HA       SER   4   3.871   6.156  -1.756
   16   1HB   SER   4          1HB       SER   4   2.077   5.727   0.137
   17   2HB   SER   4          2HB       SER   4   2.792   4.388  -0.766
   18    HG   SER   4           HG       SER   4   2.725   4.295   1.657
   19    H    ASP   5           H        ASP   5   5.722   7.715   0.556
   20    HA   ASP   5           HA       ASP   5   3.776   9.877   1.110
   21   1HB   ASP   5          1HB       ASP   5   4.849   9.268   3.093
   22   2HB   ASP   5          2HB       ASP   5   6.409   9.023   2.314
   23    HA   PRO   6           HA       PRO   6   5.763  11.659  -2.553
   24   1HB   PRO   6          1HB       PRO   6   4.638  14.187  -2.497
   25   2HB   PRO   6          2HB       PRO   6   3.805  12.727  -3.103
   26   1HG   PRO   6          2HG       PRO   6   3.630  13.971  -0.340
   27   2HG   PRO   6          1HG       PRO   6   2.286  13.441  -1.400
   28   1HD   PRO   6          1HD       PRO   6   3.192  11.861   0.594
   29   2HD   PRO   6          2HD       PRO   6   2.762  11.138  -0.983
   30    H    ARG   7           H        ARG   7   6.032  12.882   0.739
   31    HA   ARG   7           HA       ARG   7   8.048  14.875   0.154
   32   1HB   ARG   7          1HB       ARG   7   6.372  14.705   2.162
   33   2HB   ARG   7          2HB       ARG   7   7.492  13.479   2.747
   34   1HG   ARG   7          1HG       ARG   7   9.267  15.441   2.524
   35   2HG   ARG   7          2HG       ARG   7   7.832  16.454   2.640
   36   1HD   ARG   7          1HD       ARG   7   8.555  14.209   4.605
   37   2HD   ARG   7          2HD       ARG   7   8.973  15.900   4.836
   38    HE   ARG   7           HE       ARG   7   6.844  16.462   5.347
   39   1HH1  ARG   7          1HH1      ARG   7   5.002  15.999   6.550
   40   2HH1  ARG   7          2HH1      ARG   7   4.139  14.518   6.281
   41   1HH2  ARG   7          1HH2      ARG   7   6.585  13.003   4.231
   42   2HH2  ARG   7          2HH2      ARG   7   5.250  12.709   5.223
   43    H    CYS   8           H        CYS   8   8.051  11.612   0.275
   44    HA   CYS   8           HA       CYS   8  10.981  11.398   0.871
   45   1HB   CYS   8          1HB       CYS   8   9.488  10.891   2.794
   46   2HB   CYS   8          2HB       CYS   8   8.877   9.497   1.911
   47    H    ALA   9           H        ALA   9   8.369  10.178  -1.147
   48    HA   ALA   9           HA       ALA   9   9.715   8.166  -2.557
   49   1HB   ALA   9          1HB       ALA   9   8.228   8.772  -4.413
   50   2HB   ALA   9          2HB       ALA   9   7.877  10.341  -3.657
   51   3HB   ALA   9          3HB       ALA   9   7.348   8.833  -2.873
   52    H    TRP  10           H        TRP  10  10.902  11.298  -2.154
   53    HA   TRP  10           HA       TRP  10  12.373  12.025  -4.406
   54   1HB   TRP  10          1HB       TRP  10  12.639  12.097  -1.391
   55   2HB   TRP  10          2HB       TRP  10  14.047  12.417  -2.349
   56    HD1  TRP  10           HD1      TRP  10  10.726  13.781  -3.653
   57    HE1  TRP  10           HE1      TRP  10  10.799  16.344  -3.552
   58    HE3  TRP  10           HE3      TRP  10  15.033  14.372  -0.942
   59    HZ2  TRP  10           HZ2      TRP  10  12.454  18.369  -2.381
   60    HZ3  TRP  10           HZ3      TRP  10  15.807  16.638  -0.306
   61    HH2  TRP  10           HH2      TRP  10  14.538  18.652  -1.028
   62    H    GLU  11           H        GLU  11  13.077   9.519  -1.908
   63    HA   GLU  11           HA       GLU  11  14.739   8.194  -3.938
   64   1HB   GLU  11          1HB       GLU  11  16.252   9.544  -2.477
   65   2HB   GLU  11          2HB       GLU  11  15.670   8.644  -1.075
   66   1HG   GLU  11          1HG       GLU  11  16.608   6.549  -2.016
   67   2HG   GLU  11          2HG       GLU  11  17.161   7.433  -3.447
   68    H    CYS  12           H        CYS  12  12.533   7.922  -1.549
   69    HA   CYS  12           HA       CYS  12  11.776   6.302  -0.119
   70   1HB   CYS  12          1HB       CYS  12  10.497   5.764  -1.984
   71   2HB   CYS  12          2HB       CYS  12  11.837   5.037  -2.814

  No H/Q in entry =          71
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   5.493   1.930   5.715
    2    H2   GLY   1           H2       GLY   1   6.052   0.421   5.331
    3    H3   GLY   1           H3       GLY   1   6.996   1.470   6.205
    4   1HA   GLY   1          2HA       GLY   1   6.209   1.793   3.411
    5   2HA   GLY   1          1HA       GLY   1   7.816   1.396   4.039
    6    H    CYS   2           H        CYS   2   7.336   3.592   2.407
    7    HA   CYS   2           HA       CYS   2   7.440   6.037   4.018
    8   1HB   CYS   2          1HB       CYS   2   9.677   5.143   4.389
    9   2HB   CYS   2          2HB       CYS   2   9.905   4.862   2.669
   10    H    CYS   3           H        CYS   3   8.128   4.389   0.865
   11    HA   CYS   3           HA       CYS   3   7.859   6.717  -0.716
   12   1HB   CYS   3          1HB       CYS   3   9.008   4.575  -1.277
   13   2HB   CYS   3          2HB       CYS   3   7.431   3.848  -1.581
   14    H    SER   4           H        SER   4   5.408   5.094   0.969
   15    HA   SER   4           HA       SER   4   3.114   5.785  -0.649
   16   1HB   SER   4          1HB       SER   4   3.764   4.748   2.061
   17   2HB   SER   4          2HB       SER   4   2.315   5.737   1.995
   18    HG   SER   4           HG       SER   4   1.837   3.545   1.587
   19    H    ASP   5           H        ASP   5   5.373   7.814   0.947
   20    HA   ASP   5           HA       ASP   5   3.478  10.101   1.140
   21   1HB   ASP   5          1HB       ASP   5   4.429   9.861   3.244
   22   2HB   ASP   5          2HB       ASP   5   5.964   9.279   2.628
   23    HA   PRO   6           HA       PRO   6   5.704  11.139  -2.635
   24   1HB   PRO   6          1HB       PRO   6   4.946  13.781  -2.942
   25   2HB   PRO   6          2HB       PRO   6   3.962  12.370  -3.408
   26   1HG   PRO   6          2HG       PRO   6   3.793  14.009  -0.869
   27   2HG   PRO   6          1HG       PRO   6   2.458  13.418  -1.909
   28   1HD   PRO   6          1HD       PRO   6   3.186  12.147   0.389
   29   2HD   PRO   6          2HD       PRO   6   2.652  11.222  -1.048
   30    H    ARG   7           H        ARG   7   6.103  12.953   0.435
   31    HA   ARG   7           HA       ARG   7   8.495  14.265  -0.578
   32   1HB   ARG   7          1HB       ARG   7   7.030  15.202   1.217
   33   2HB   ARG   7          2HB       ARG   7   7.589  13.933   2.314
   34   1HG   ARG   7          1HG       ARG   7   9.841  14.848   2.319
   35   2HG   ARG   7          2HG       ARG   7   9.469  15.887   0.940
   36   1HD   ARG   7          1HD       ARG   7   9.463  17.279   2.866
   37   2HD   ARG   7          2HD       ARG   7   7.785  17.094   2.364
   38    HE   ARG   7           HE       ARG   7   8.748  15.193   4.402
   39   1HH1  ARG   7          1HH1      ARG   7   8.165  15.354   6.549
   40   2HH1  ARG   7          2HH1      ARG   7   7.366  16.774   7.143
   41   1HH2  ARG   7          1HH2      ARG   7   6.912  18.211   3.932
   42   2HH2  ARG   7          2HH2      ARG   7   6.589  18.402   5.624
   43    H    CYS   8           H        CYS   8   7.876  11.156   0.175
   44    HA   CYS   8           HA       CYS   8  10.669  10.480   0.971
   45   1HB   CYS   8          1HB       CYS   8   8.729   9.204   1.946
   46   2HB   CYS   8          2HB       CYS   8   8.385   8.600   0.328
   47    H    ALA   9           H        ALA   9   8.739  11.017  -1.944
   48    HA   ALA   9           HA       ALA   9   9.914   9.117  -3.650
   49   1HB   ALA   9          1HB       ALA   9   9.044  10.465  -5.460
   50   2HB   ALA   9          3HB       ALA   9   8.914  11.892  -4.419
   51   3HB   ALA   9          2HB       ALA   9   7.856  10.489  -4.148
   52    H    TRP  10           H        TRP  10  11.450  11.781  -2.169
   53    HA   TRP  10           HA       TRP  10  13.432  12.672  -3.911
   54   1HB   TRP  10          1HB       TRP  10  13.067  12.175  -0.957
   55   2HB   TRP  10          2HB       TRP  10  14.672  12.452  -1.556
   56    HD1  TRP  10           HD1      TRP  10  11.222  14.228  -1.665
   57    HE1  TRP  10           HE1      TRP  10  11.586  16.747  -1.425
   58    HE3  TRP  10           HE3      TRP  10  16.346  14.320  -1.657
   59    HZ2  TRP  10           HZ2      TRP  10  13.813  18.575  -1.174
   60    HZ3  TRP  10           HZ3      TRP  10  17.559  16.467  -1.378
   61    HH2  TRP  10           HH2      TRP  10  16.297  18.601  -1.116
   62    H    GLU  11           H        GLU  11  13.348   9.679  -1.879
   63    HA   GLU  11           HA       GLU  11  15.117   8.457  -3.935
   64   1HB   GLU  11          1HB       GLU  11  16.446   9.219  -1.944
   65   2HB   GLU  11          2HB       GLU  11  15.434   8.166  -0.941
   66   1HG   GLU  11          1HG       GLU  11  16.297   6.180  -2.051
   67   2HG   GLU  11          2HG       GLU  11  17.178   7.176  -3.224
   68    H    CYS  12           H        CYS  12  12.402   8.173  -2.149
   69    HA   CYS  12           HA       CYS  12  10.865   6.517  -1.614
   70   1HB   CYS  12          1HB       CYS  12  10.528   6.991  -3.949
   71   2HB   CYS  12          2HB       CYS  12  11.829   5.934  -4.392

  No H/Q in entry =          71
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   3.730   5.451   3.511
    2    H2   GLY   1           H2       GLY   1   3.611   4.391   4.783
    3    H3   GLY   1           H3       GLY   1   4.339   5.853   4.980
    4   1HA   GLY   1          2HA       GLY   1   5.336   3.664   3.311
    5   2HA   GLY   1          1HA       GLY   1   6.007   4.188   4.874
    6    H    CYS   2           H        CYS   2   8.108   4.660   3.662
    7    HA   CYS   2           HA       CYS   2   8.262   7.410   3.003
    8   1HB   CYS   2          1HB       CYS   2  10.179   6.150   3.823
    9   2HB   CYS   2          2HB       CYS   2  10.165   5.131   2.382
   10    H    CYS   3           H        CYS   3   8.424   4.527   0.771
   11    HA   CYS   3           HA       CYS   3   8.441   6.021  -1.633
   12   1HB   CYS   3          1HB       CYS   3   7.099   3.356  -1.058
   13   2HB   CYS   3          2HB       CYS   3   7.515   3.977  -2.658
   14    H    SER   4           H        SER   4   5.632   4.890   0.366
   15    HA   SER   4           HA       SER   4   3.692   6.072  -1.386
   16   1HB   SER   4          1HB       SER   4   2.248   5.160   0.538
   17   2HB   SER   4          2HB       SER   4   3.085   4.043  -0.530
   18    HG   SER   4           HG       SER   4   3.203   3.462   1.613
   19    H    ASP   5           H        ASP   5   5.749   7.951   0.128
   20    HA   ASP   5           HA       ASP   5   3.593   9.860   0.755
   21   1HB   ASP   5          1HB       ASP   5   4.487   9.114   2.884
   22   2HB   ASP   5          2HB       ASP   5   6.147   9.372   2.342
   23    HA   PRO   6           HA       PRO   6   5.998  11.500  -2.620
   24   1HB   PRO   6          1HB       PRO   6   5.103  14.151  -2.660
   25   2HB   PRO   6          2HB       PRO   6   4.300  12.743  -3.419
   26   1HG   PRO   6          2HG       PRO   6   3.744  13.975  -0.715
   27   2HG   PRO   6          1HG       PRO   6   2.573  13.456  -1.973
   28   1HD   PRO   6          1HD       PRO   6   3.082  11.863   0.126
   29   2HD   PRO   6          2HD       PRO   6   2.961  11.152  -1.508
   30    H    ARG   7           H        ARG   7   6.100  13.057   0.568
   31    HA   ARG   7           HA       ARG   7   8.374  14.705  -0.051
   32   1HB   ARG   7          1HB       ARG   7   6.609  14.155   2.240
   33   2HB   ARG   7          2HB       ARG   7   8.272  14.305   2.770
   34   1HG   ARG   7          1HG       ARG   7   7.064  16.404   0.924
   35   2HG   ARG   7          2HG       ARG   7   6.692  16.401   2.647
   36   1HD   ARG   7          1HD       ARG   7   8.586  17.897   2.243
   37   2HD   ARG   7          2HD       ARG   7   9.024  16.536   3.254
   38    HE   ARG   7           HE       ARG   7  10.483  15.772   1.708
   39   1HH1  ARG   7          1HH1      ARG   7  11.774  15.856  -0.221
   40   2HH1  ARG   7          2HH1      ARG   7  11.263  16.859  -1.552
   41   1HH2  ARG   7          1HH2      ARG   7   8.443  18.221   0.035
   42   2HH2  ARG   7          2HH2      ARG   7   9.413  18.132  -1.417
   43    H    CYS   8           H        CYS   8   8.124  11.491   0.421
   44    HA   CYS   8           HA       CYS   8  11.031  11.148   1.067
   45   1HB   CYS   8          1HB       CYS   8   9.340  10.678   2.886
   46   2HB   CYS   8          2HB       CYS   8   8.804   9.301   1.956
   47    H    ALA   9           H        ALA   9   8.309  10.138  -0.942
   48    HA   ALA   9           HA       ALA   9   9.420   8.141  -2.523
   49   1HB   ALA   9          1HB       ALA   9   7.907   8.960  -4.261
   50   2HB   ALA   9          3HB       ALA   9   7.791  10.538  -3.475
   51   3HB   ALA   9          2HB       ALA   9   7.096   9.101  -2.686
   52    H    TRP  10           H        TRP  10  10.561  11.385  -2.201
   53    HA   TRP  10           HA       TRP  10  12.143  11.925  -4.413
   54   1HB   TRP  10          1HB       TRP  10  12.174  12.365  -1.465
   55   2HB   TRP  10          2HB       TRP  10  13.764  12.290  -2.158
   56    HD1  TRP  10           HD1      TRP  10  10.592  14.067  -3.527
   57    HE1  TRP  10           HE1      TRP  10  11.232  16.504  -4.062
   58    HE3  TRP  10           HE3      TRP  10  15.457  13.961  -1.996
   59    HZ2  TRP  10           HZ2      TRP  10  13.512  18.253  -3.591
   60    HZ3  TRP  10           HZ3      TRP  10  16.842  16.034  -2.000
   61    HH2  TRP  10           HH2      TRP  10  15.864  18.179  -2.766
   62    H    GLU  11           H        GLU  11  12.694   9.437  -1.858
   63    HA   GLU  11           HA       GLU  11  14.743   8.293  -3.631
   64   1HB   GLU  11          1HB       GLU  11  15.566  10.007  -1.772
   65   2HB   GLU  11          2HB       GLU  11  15.436   8.625  -0.713
   66   1HG   GLU  11          1HG       GLU  11  17.062   8.753  -3.301
   67   2HG   GLU  11          2HG       GLU  11  17.713   9.112  -1.704
   68    H    CYS  12           H        CYS  12  12.369   7.817  -1.441
   69    HA   CYS  12           HA       CYS  12  11.160   5.932  -0.740
   70   1HB   CYS  12          1HB       CYS  12  10.486   6.179  -2.943
   71   2HB   CYS  12          2HB       CYS  12  11.966   5.539  -3.595

  No H/Q in entry =          71
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   4.103   6.458   4.850
    2    H2   GLY   1           H2       GLY   1   3.722   5.356   3.706
    3    H3   GLY   1           H3       GLY   1   3.637   4.925   5.298
    4   1HA   GLY   1          2HA       GLY   1   5.565   3.976   4.269
    5   2HA   GLY   1          1HA       GLY   1   6.019   5.169   5.510
    6    H    CYS   2           H        CYS   2   8.037   4.897   3.927
    7    HA   CYS   2           HA       CYS   2   8.307   7.463   2.868
    8   1HB   CYS   2          1HB       CYS   2  10.128   5.997   3.787
    9   2HB   CYS   2          2HB       CYS   2  10.098   5.072   2.286
   10    H    CYS   3           H        CYS   3   8.207   4.346   1.046
   11    HA   CYS   3           HA       CYS   3   8.128   5.603  -1.549
   12   1HB   CYS   3          1HB       CYS   3   7.322   2.862  -0.535
   13   2HB   CYS   3          2HB       CYS   3   7.289   3.304  -2.238
   14    H    SER   4           H        SER   4   5.670   5.264   0.897
   15    HA   SER   4           HA       SER   4   3.464   5.715  -0.952
   16   1HB   SER   4          1HB       SER   4   2.298   5.309   1.380
   17   2HB   SER   4          2HB       SER   4   2.836   3.976   0.360
   18    HG   SER   4           HG       SER   4   4.418   3.542   1.632
   19    H    ASP   5           H        ASP   5   5.686   7.830  -0.008
   20    HA   ASP   5           HA       ASP   5   3.618   9.853   0.578
   21   1HB   ASP   5          1HB       ASP   5   4.602   9.119   2.739
   22   2HB   ASP   5          2HB       ASP   5   6.214   9.564   2.143
   23    HA   PRO   6           HA       PRO   6   5.917  11.638  -2.714
   24   1HB   PRO   6          1HB       PRO   6   5.004  14.248  -2.685
   25   2HB   PRO   6          2HB       PRO   6   4.094  12.851  -3.322
   26   1HG   PRO   6          2HG       PRO   6   3.879  14.130  -0.586
   27   2HG   PRO   6          1HG       PRO   6   2.556  13.658  -1.705
   28   1HD   PRO   6          1HD       PRO   6   3.285  12.067   0.345
   29   2HD   PRO   6          2HD       PRO   6   2.858  11.357  -1.242
   30    H    ARG   7           H        ARG   7   6.235  13.048   0.591
   31    HA   ARG   7           HA       ARG   7   8.497  14.672  -0.239
   32   1HB   ARG   7          1HB       ARG   7   6.744  14.783   1.904
   33   2HB   ARG   7          2HB       ARG   7   8.110  13.965   2.635
   34   1HG   ARG   7          1HG       ARG   7   8.523  16.209   3.074
   35   2HG   ARG   7          2HG       ARG   7   9.579  15.871   1.700
   36   1HD   ARG   7          1HD       ARG   7   8.544  17.993   1.326
   37   2HD   ARG   7          2HD       ARG   7   7.763  16.863   0.205
   38    HE   ARG   7           HE       ARG   7   6.039  16.677   2.209
   39   1HH1  ARG   7          1HH1      ARG   7   4.505  18.057   3.158
   40   2HH1  ARG   7          2HH1      ARG   7   4.491  19.749   2.758
   41   1HH2  ARG   7          1HH2      ARG   7   7.427  19.670   0.884
   42   2HH2  ARG   7          2HH2      ARG   7   6.019  20.613   1.217
   43    H    CYS   8           H        CYS   8   8.100  11.476   0.236
   44    HA   CYS   8           HA       CYS   8  10.938  11.020   1.099
   45   1HB   CYS   8          1HB       CYS   8   8.999  10.568   2.720
   46   2HB   CYS   8          2HB       CYS   8   8.649   9.175   1.726
   47    H    ALA   9           H        ALA   9   8.391  10.177  -1.190
   48    HA   ALA   9           HA       ALA   9   9.790   8.395  -2.854
   49   1HB   ALA   9          1HB       ALA   9   8.405   9.357  -4.633
   50   2HB   ALA   9          3HB       ALA   9   7.986  10.732  -3.594
   51   3HB   ALA   9          2HB       ALA   9   7.452   9.087  -3.161
   52    H    TRP  10           H        TRP  10  10.857  11.440  -1.818
   53    HA   TRP  10           HA       TRP  10  12.612  12.428  -3.743
   54   1HB   TRP  10          1HB       TRP  10  12.411  12.212  -0.773
   55   2HB   TRP  10          2HB       TRP  10  14.049  12.257  -1.362
   56    HD1  TRP  10           HD1      TRP  10  10.872  14.397  -1.360
   57    HE1  TRP  10           HE1      TRP  10  11.506  16.841  -1.831
   58    HE3  TRP  10           HE3      TRP  10  15.841  13.752  -2.361
   59    HZ2  TRP  10           HZ2      TRP  10  13.826  18.272  -2.804
   60    HZ3  TRP  10           HZ3      TRP  10  17.241  15.665  -3.088
   61    HH2  TRP  10           HH2      TRP  10  16.236  17.927  -3.334
   62    H    GLU  11           H        GLU  11  12.857   9.446  -1.771
   63    HA   GLU  11           HA       GLU  11  14.610   8.439  -3.924
   64   1HB   GLU  11          1HB       GLU  11  16.116   8.915  -2.087
   65   2HB   GLU  11          2HB       GLU  11  15.059   8.077  -0.938
   66   1HG   GLU  11          1HG       GLU  11  15.552   5.917  -2.012
   67   2HG   GLU  11          2HG       GLU  11  16.563   6.727  -3.218
   68    H    CYS  12           H        CYS  12  12.025   8.009  -1.974
   69    HA   CYS  12           HA       CYS  12  10.738   6.257  -1.176
   70   1HB   CYS  12          1HB       CYS  12   9.731   6.127  -3.200
   71   2HB   CYS  12          2HB       CYS  12  11.184   5.689  -4.043

  No H/Q in entry =          71
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1   8.362   2.293   4.899
    2    H2   GLY   1           H2       GLY   1   6.998   1.350   4.878
    3    H3   GLY   1           H3       GLY   1   8.001   1.377   3.580
    4   1HA   GLY   1          2HA       GLY   1   6.426   3.646   4.555
    5   2HA   GLY   1          1HA       GLY   1   6.046   2.654   3.136
    6    H    CYS   2           H        CYS   2   6.766   5.544   3.556
    7    HA   CYS   2           HA       CYS   2   7.760   7.249   2.641
    8   1HB   CYS   2          1HB       CYS   2  10.032   5.482   3.219
    9   2HB   CYS   2          2HB       CYS   2  10.336   6.648   1.949
   10    H    CYS   3           H        CYS   3   8.007   4.377   0.582
   11    HA   CYS   3           HA       CYS   3   8.040   5.955  -1.906
   12   1HB   CYS   3          1HB       CYS   3   7.137   3.161  -1.169
   13   2HB   CYS   3          2HB       CYS   3   6.716   3.865  -2.718
   14    H    SER   4           H        SER   4   5.674   4.868   0.508
   15    HA   SER   4           HA       SER   4   3.300   5.747  -0.763
   16   1HB   SER   4          1HB       SER   4   2.591   5.312   1.744
   17   2HB   SER   4          2HB       SER   4   3.130   3.960   0.753
   18    HG   SER   4           HG       SER   4   4.008   4.231   2.943
   19    H    ASP   5           H        ASP   5   5.736   7.781   0.085
   20    HA   ASP   5           HA       ASP   5   3.936   9.858   1.183
   21   1HB   ASP   5          1HB       ASP   5   5.205   8.952   3.043
   22   2HB   ASP   5          2HB       ASP   5   6.712   9.131   2.158
   23    HA   PRO   6           HA       PRO   6   5.849  11.438  -2.615
   24   1HB   PRO   6          1HB       PRO   6   4.768  13.989  -2.580
   25   2HB   PRO   6          2HB       PRO   6   3.892  12.531  -3.147
   26   1HG   PRO   6          2HG       PRO   6   3.790  13.845  -0.425
   27   2HG   PRO   6          1HG       PRO   6   2.426  13.301  -1.448
   28   1HD   PRO   6          1HD       PRO   6   3.343  11.777   0.577
   29   2HD   PRO   6          2HD       PRO   6   2.871  11.011  -0.963
   30    H    ARG   7           H        ARG   7   6.024  12.973   0.584
   31    HA   ARG   7           HA       ARG   7   8.179  14.793  -0.234
   32   1HB   ARG   7          1HB       ARG   7   6.270  15.373   1.340
   33   2HB   ARG   7          2HB       ARG   7   7.009  14.311   2.543
   34   1HG   ARG   7          1HG       ARG   7   8.938  15.753   2.732
   35   2HG   ARG   7          2HG       ARG   7   8.524  16.605   1.232
   36   1HD   ARG   7          1HD       ARG   7   8.005  18.044   3.063
   37   2HD   ARG   7          2HD       ARG   7   6.485  17.504   2.335
   38    HE   ARG   7           HE       ARG   7   7.386  15.868   4.569
   39   1HH1  ARG   7          1HH1      ARG   7   6.162  15.972   6.552
   40   2HH1  ARG   7          2HH1      ARG   7   5.094  17.295   6.828
   41   1HH2  ARG   7          1HH2      ARG   7   5.791  18.898   3.783
   42   2HH2  ARG   7          2HH2      ARG   7   4.667  18.902   5.095
   43    H    CYS   8           H        CYS   8   8.120  11.594   0.251
   44    HA   CYS   8           HA       CYS   8  10.925  11.529   1.279
   45   1HB   CYS   8          1HB       CYS   8   9.085  10.607   2.835
   46   2HB   CYS   8          2HB       CYS   8   8.909   9.316   1.652
   47    H    ALA   9           H        ALA   9   8.502  10.302  -0.998
   48    HA   ALA   9           HA       ALA   9   9.774   8.282  -2.288
   49   1HB   ALA   9          1HB       ALA   9   8.218   8.793  -4.141
   50   2HB   ALA   9          2HB       ALA   9   7.887  10.383  -3.433
   51   3HB   ALA   9          3HB       ALA   9   7.422   8.899  -2.562
   52    H    TRP  10           H        TRP  10  11.081  11.443  -2.360
   53    HA   TRP  10           HA       TRP  10  12.435  11.666  -4.830
   54   1HB   TRP  10          1HB       TRP  10  12.964  12.207  -1.870
   55   2HB   TRP  10          2HB       TRP  10  14.204  12.438  -3.058
   56    HD1  TRP  10           HD1      TRP  10  10.897  13.580  -4.417
   57    HE1  TRP  10           HE1      TRP  10  10.879  16.137  -4.502
   58    HE3  TRP  10           HE3      TRP  10  15.018  14.507  -1.532
   59    HZ2  TRP  10           HZ2      TRP  10  12.361  18.327  -3.310
   60    HZ3  TRP  10           HZ3      TRP  10  15.718  16.850  -1.053
   61    HH2  TRP  10           HH2      TRP  10  14.406  18.742  -1.940
   62    H    GLU  11           H        GLU  11  13.189   9.812  -1.810
   63    HA   GLU  11           HA       GLU  11  14.863   7.962  -3.370
   64   1HB   GLU  11          1HB       GLU  11  16.120   7.887  -1.155
   65   2HB   GLU  11          2HB       GLU  11  16.340   9.325  -2.164
   66   1HG   GLU  11          1HG       GLU  11  14.833  10.593  -0.662
   67   2HG   GLU  11          2HG       GLU  11  14.540   9.128   0.290
   68    H    CYS  12           H        CYS  12  12.116   8.272  -1.660
   69    HA   CYS  12           HA       CYS  12  10.707   6.961  -0.456
   70   1HB   CYS  12          1HB       CYS  12  10.337   5.852  -2.413
   71   2HB   CYS  12          2HB       CYS  12  11.931   5.171  -2.486

  No H/Q in entry =          71
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1   7.945   1.522   4.272
    2    H2   GLY   1           H2       GLY   1   6.413   0.896   4.210
    3    H3   GLY   1           H3       GLY   1   7.335   1.021   2.841
    4   1HA   GLY   1          2HA       GLY   1   6.214   3.206   4.434
    5   2HA   GLY   1          1HA       GLY   1   5.689   2.698   2.820
    6    H    CYS   2           H        CYS   2   6.513   5.298   3.541
    7    HA   CYS   2           HA       CYS   2   7.673   7.063   2.997
    8   1HB   CYS   2          1HB       CYS   2   9.621   5.311   3.856
    9   2HB   CYS   2          2HB       CYS   2  10.272   5.870   2.328
   10    H    CYS   3           H        CYS   3   8.217   4.377   0.722
   11    HA   CYS   3           HA       CYS   3   8.142   5.951  -1.699
   12   1HB   CYS   3          1HB       CYS   3   6.899   3.242  -1.164
   13   2HB   CYS   3          2HB       CYS   3   7.448   3.859  -2.724
   14    H    SER   4           H        SER   4   5.755   4.926   0.723
   15    HA   SER   4           HA       SER   4   3.373   5.689  -0.646
   16   1HB   SER   4          1HB       SER   4   2.552   5.249   1.766
   17   2HB   SER   4          2HB       SER   4   3.295   3.901   0.901
   18    HG   SER   4           HG       SER   4   4.017   4.200   3.088
   19    H    ASP   5           H        ASP   5   5.810   7.796   0.274
   20    HA   ASP   5           HA       ASP   5   3.805   9.828   0.988
   21   1HB   ASP   5          1HB       ASP   5   4.954   9.202   3.058
   22   2HB   ASP   5          2HB       ASP   5   6.511   9.600   2.317
   23    HA   PRO   6           HA       PRO   6   5.796  11.426  -2.649
   24   1HB   PRO   6          1HB       PRO   6   4.675  13.976  -2.688
   25   2HB   PRO   6          2HB       PRO   6   3.885  12.480  -3.279
   26   1HG   PRO   6          2HG       PRO   6   3.553  13.844  -0.610
   27   2HG   PRO   6          1HG       PRO   6   2.294  13.126  -1.680
   28   1HD   PRO   6          1HD       PRO   6   3.246  11.800   0.462
   29   2HD   PRO   6          2HD       PRO   6   2.854  10.944  -1.061
   30    H    ARG   7           H        ARG   7   6.137  13.017   0.556
   31    HA   ARG   7           HA       ARG   7   8.391  14.588  -0.507
   32   1HB   ARG   7          1HB       ARG   7   6.666  15.563   1.068
   33   2HB   ARG   7          2HB       ARG   7   7.338  14.569   2.350
   34   1HG   ARG   7          1HG       ARG   7   9.292  15.794   2.489
   35   2HG   ARG   7          2HG       ARG   7   9.335  16.161   0.777
   36   1HD   ARG   7          1HD       ARG   7   7.671  17.537   2.902
   37   2HD   ARG   7          2HD       ARG   7   9.028  18.219   2.003
   38    HE   ARG   7           HE       ARG   7   6.323  18.341   1.343
   39   1HH1  ARG   7          1HH1      ARG   7   5.462  18.932  -0.602
   40   2HH1  ARG   7          2HH1      ARG   7   6.316  18.801  -2.083
   41   1HH2  ARG   7          1HH2      ARG   7   9.328  17.704  -0.453
   42   2HH2  ARG   7          2HH2      ARG   7   8.638  18.134  -1.982
   43    H    CYS   8           H        CYS   8   7.998  11.459   0.228
   44    HA   CYS   8           HA       CYS   8  10.867  11.227   0.971
   45   1HB   CYS   8          1HB       CYS   8   9.309  10.526   2.796
   46   2HB   CYS   8          2HB       CYS   8   8.697   9.276   1.740
   47    H    ALA   9           H        ALA   9   8.472  10.669  -1.395
   48    HA   ALA   9           HA       ALA   9   9.633   8.613  -2.949
   49   1HB   ALA   9          1HB       ALA   9   8.431   9.660  -4.795
   50   2HB   ALA   9          3HB       ALA   9   8.268  11.177  -3.890
   51   3HB   ALA   9          2HB       ALA   9   7.417   9.712  -3.342
   52    H    TRP  10           H        TRP  10  11.085  11.590  -2.027
   53    HA   TRP  10           HA       TRP  10  12.883  12.290  -3.994
   54   1HB   TRP  10          1HB       TRP  10  12.729  12.259  -1.042
   55   2HB   TRP  10          2HB       TRP  10  14.361  12.063  -1.610
   56    HD1  TRP  10           HD1      TRP  10  11.429  14.548  -2.068
   57    HE1  TRP  10           HE1      TRP  10  12.401  16.911  -2.267
   58    HE3  TRP  10           HE3      TRP  10  16.416  13.375  -2.010
   59    HZ2  TRP  10           HZ2      TRP  10  15.032  18.123  -2.578
   60    HZ3  TRP  10           HZ3      TRP  10  18.124  15.140  -2.342
   61    HH2  TRP  10           HH2      TRP  10  17.446  17.506  -2.616
   62    H    GLU  11           H        GLU  11  13.174   9.420  -1.699
   63    HA   GLU  11           HA       GLU  11  14.690   8.049  -3.785
   64   1HB   GLU  11          1HB       GLU  11  15.917   7.128  -1.839
   65   2HB   GLU  11          2HB       GLU  11  16.279   8.819  -2.194
   66   1HG   GLU  11          1HG       GLU  11  15.052   9.530  -0.254
   67   2HG   GLU  11          2HG       GLU  11  14.356   7.918  -0.014
   68    H    CYS  12           H        CYS  12  11.788   8.119  -2.353
   69    HA   CYS  12           HA       CYS  12  10.253   6.718  -1.544
   70   1HB   CYS  12          1HB       CYS  12   9.869   5.787  -3.458
   71   2HB   CYS  12          2HB       CYS  12  11.509   5.417  -3.805

  No H/Q in entry =          71
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  12.515   2.511   1.325
    2    H2   GLY   1           H2       GLY   1  11.919   1.000   1.063
    3    H3   GLY   1           H3       GLY   1  11.504   2.253   0.062
    4   1HA   GLY   1          2HA       GLY   1  10.817   2.027   2.902
    5   2HA   GLY   1          1HA       GLY   1   9.696   1.755   1.550
    6    H    CYS   2           H        CYS   2   8.529   3.495   2.795
    7    HA   CYS   2           HA       CYS   2   7.871   5.553   3.296
    8   1HB   CYS   2          1HB       CYS   2  10.461   5.971   3.617
    9   2HB   CYS   2          2HB       CYS   2  10.263   6.953   2.173
   10    H    CYS   3           H        CYS   3   8.440   4.502   0.173
   11    HA   CYS   3           HA       CYS   3   7.906   6.553  -1.589
   12   1HB   CYS   3          1HB       CYS   3   7.100   3.648  -1.544
   13   2HB   CYS   3          2HB       CYS   3   6.608   4.689  -2.857
   14    H    SER   4           H        SER   4   5.546   5.175   0.687
   15    HA   SER   4           HA       SER   4   3.211   5.948  -0.807
   16   1HB   SER   4          1HB       SER   4   3.900   4.870   1.901
   17   2HB   SER   4          2HB       SER   4   2.449   5.867   1.862
   18    HG   SER   4           HG       SER   4   1.431   4.498   0.608
   19    H    ASP   5           H        ASP   5   5.550   7.969   0.611
   20    HA   ASP   5           HA       ASP   5   3.618  10.205   0.917
   21   1HB   ASP   5          1HB       ASP   5   4.580   9.833   3.071
   22   2HB   ASP   5          2HB       ASP   5   6.199   9.643   2.401
   23    HA   PRO   6           HA       PRO   6   6.134  11.082  -2.790
   24   1HB   PRO   6          1HB       PRO   6   4.927  13.470  -3.517
   25   2HB   PRO   6          2HB       PRO   6   4.316  11.847  -3.943
   26   1HG   PRO   6          2HG       PRO   6   3.460  13.631  -1.655
   27   2HG   PRO   6          1HG       PRO   6   2.423  12.703  -2.781
   28   1HD   PRO   6          1HD       PRO   6   3.017  11.816  -0.288
   29   2HD   PRO   6          2HD       PRO   6   2.887  10.671  -1.659
   30    H    ARG   7           H        ARG   7   5.585  13.145   0.098
   31    HA   ARG   7           HA       ARG   7   7.847  14.878  -0.552
   32   1HB   ARG   7          1HB       ARG   7   5.652  14.743   1.512
   33   2HB   ARG   7          2HB       ARG   7   7.172  15.403   2.043
   34   1HG   ARG   7          2HG       ARG   7   5.801  17.216   1.281
   35   2HG   ARG   7          1HG       ARG   7   7.154  17.018   0.178
   36   1HD   ARG   7          1HD       ARG   7   5.274  17.466  -1.159
   37   2HD   ARG   7          2HD       ARG   7   5.605  15.750  -1.385
   38    HE   ARG   7           HE       ARG   7   3.688  15.969   0.690
   39   1HH1  ARG   7          1HH1      ARG   7   1.415  15.851   0.315
   40   2HH1  ARG   7          2HH1      ARG   7   0.764  16.414  -1.186
   41   1HH2  ARG   7          1HH2      ARG   7   3.918  16.744  -2.786
   42   2HH2  ARG   7          2HH2      ARG   7   2.221  16.571  -3.058
   43    H    CYS   8           H        CYS   8   7.758  11.739   0.248
   44    HA   CYS   8           HA       CYS   8  10.342  11.899   1.753
   45   1HB   CYS   8          1HB       CYS   8   8.356  10.910   3.031
   46   2HB   CYS   8          2HB       CYS   8   8.379   9.601   1.848
   47    H    ALA   9           H        ALA   9   8.430  10.428  -0.839
   48    HA   ALA   9           HA       ALA   9  10.076   8.342  -1.611
   49   1HB   ALA   9          1HB       ALA   9   7.652   8.723  -2.175
   50   2HB   ALA   9          3HB       ALA   9   8.640   8.283  -3.577
   51   3HB   ALA   9          2HB       ALA   9   8.165   9.974  -3.327
   52    H    TRP  10           H        TRP  10  11.657  10.948  -1.458
   53    HA   TRP  10           HA       TRP  10  12.515  11.895  -3.976
   54   1HB   TRP  10          1HB       TRP  10  13.424  11.886  -1.144
   55   2HB   TRP  10          2HB       TRP  10  14.728  11.915  -2.295
   56    HD1  TRP  10           HD1      TRP  10  11.351  13.826  -2.153
   57    HE1  TRP  10           HE1      TRP  10  11.780  16.284  -2.615
   58    HE3  TRP  10           HE3      TRP  10  16.452  13.652  -2.631
   59    HZ2  TRP  10           HZ2      TRP  10  14.078  17.975  -3.201
   60    HZ3  TRP  10           HZ3      TRP  10  17.739  15.713  -3.086
   61    HH2  TRP  10           HH2      TRP  10  16.568  17.886  -3.376
   62    H    GLU  11           H        GLU  11  13.517   9.080  -2.103
   63    HA   GLU  11           HA       GLU  11  14.831   7.957  -4.489
   64   1HB   GLU  11          1HB       GLU  11  16.539   9.196  -3.212
   65   2HB   GLU  11          2HB       GLU  11  16.077   8.336  -1.746
   66   1HG   GLU  11          1HG       GLU  11  16.880   6.213  -2.726
   67   2HG   GLU  11          2HG       GLU  11  17.345   7.064  -4.209
   68    H    CYS  12           H        CYS  12  13.481   7.561  -1.538
   69    HA   CYS  12           HA       CYS  12  12.524   5.901  -0.243
   70   1HB   CYS  12          1HB       CYS  12  10.893   6.286  -1.900
   71   2HB   CYS  12          2HB       CYS  12  11.748   5.318  -3.068

  No H/Q in entry =          71
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   7.097   1.242   3.466
    2    H2   GLY   1           H2       GLY   1   7.623   0.887   1.946
    3    H3   GLY   1           H3       GLY   1   8.354   0.185   3.245
    4   1HA   GLY   1          2HA       GLY   1   9.668   1.973   2.250
    5   2HA   GLY   1          1HA       GLY   1   9.265   2.224   3.960
    6    H    CYS   2           H        CYS   2   9.791   4.476   3.225
    7    HA   CYS   2           HA       CYS   2   7.462   5.878   3.840
    8   1HB   CYS   2          1HB       CYS   2   8.917   7.821   3.758
    9   2HB   CYS   2          2HB       CYS   2   9.786   6.480   4.485
   10    H    CYS   3           H        CYS   3   8.513   5.023   0.771
   11    HA   CYS   3           HA       CYS   3   8.322   7.017  -1.000
   12   1HB   CYS   3          2HB       CYS   3   7.041   4.355  -1.624
   13   2HB   CYS   3          1HB       CYS   3   8.105   5.332  -2.614
   14    H    SER   4           H        SER   4   5.522   5.246   0.342
   15    HA   SER   4           HA       SER   4   3.657   6.238  -1.639
   16   1HB   SER   4          1HB       SER   4   3.684   4.377   0.674
   17   2HB   SER   4          2HB       SER   4   2.164   5.272   0.507
   18    HG   SER   4           HG       SER   4   3.488   3.837  -1.568
   19    H    ASP   5           H        ASP   5   5.103   7.851   0.962
   20    HA   ASP   5           HA       ASP   5   2.962   9.893   0.901
   21   1HB   ASP   5          1HB       ASP   5   3.257   9.357   3.157
   22   2HB   ASP   5          2HB       ASP   5   4.980   9.116   2.989
   23    HA   PRO   6           HA       PRO   6   5.913  10.745  -2.191
   24   1HB   PRO   6          1HB       PRO   6   5.034  13.152  -3.220
   25   2HB   PRO   6          2HB       PRO   6   4.224  11.579  -3.482
   26   1HG   PRO   6          2HG       PRO   6   3.557  13.697  -1.425
   27   2HG   PRO   6          1HG       PRO   6   2.446  12.820  -2.529
   28   1HD   PRO   6          1HD       PRO   6   2.788  12.042   0.033
   29   2HD   PRO   6          2HD       PRO   6   2.617  10.825  -1.266
   30    H    ARG   7           H        ARG   7   5.815  12.790   0.602
   31    HA   ARG   7           HA       ARG   7   7.901  14.589  -0.166
   32   1HB   ARG   7          1HB       ARG   7   6.416  13.771   2.296
   33   2HB   ARG   7          2HB       ARG   7   8.034  14.352   2.606
   34   1HG   ARG   7          1HG       ARG   7   5.989  15.915   0.999
   35   2HG   ARG   7          2HG       ARG   7   6.205  16.020   2.757
   36   1HD   ARG   7          1HD       ARG   7   8.708  16.483   2.230
   37   2HD   ARG   7          2HD       ARG   7   8.135  16.873   0.590
   38    HE   ARG   7           HE       ARG   7   6.429  18.129   2.342
   39   1HH1  ARG   7          1HH1      ARG   7   6.651  20.443   2.866
   40   2HH1  ARG   7          2HH1      ARG   7   8.261  21.054   3.148
   41   1HH2  ARG   7          1HH2      ARG   7  10.009  18.202   2.155
   42   2HH2  ARG   7          2HH2      ARG   7  10.085  19.846   2.730
   43    H    CYS   8           H        CYS   8   7.908  11.380   0.417
   44    HA   CYS   8           HA       CYS   8  10.886  11.221   0.677
   45   1HB   CYS   8          1HB       CYS   8   9.472  10.601   2.702
   46   2HB   CYS   8          2HB       CYS   8   8.942   9.197   1.778
   47    H    ALA   9           H        ALA   9   8.883  11.209  -1.706
   48    HA   ALA   9           HA       ALA   9   9.645   8.710  -3.061
   49   1HB   ALA   9          1HB       ALA   9   8.621   9.807  -5.014
   50   2HB   ALA   9          3HB       ALA   9   8.461  11.328  -4.119
   51   3HB   ALA   9          2HB       ALA   9   7.529   9.888  -3.630
   52    H    TRP  10           H        TRP  10  11.594  11.025  -1.868
   53    HA   TRP  10           HA       TRP  10  13.100  12.096  -4.017
   54   1HB   TRP  10          1HB       TRP  10  13.378  11.624  -1.056
   55   2HB   TRP  10          2HB       TRP  10  14.857  11.759  -1.961
   56    HD1  TRP  10           HD1      TRP  10  11.606  13.882  -2.161
   57    HE1  TRP  10           HE1      TRP  10  12.276  16.351  -2.096
   58    HE3  TRP  10           HE3      TRP  10  16.693  13.382  -1.688
   59    HZ2  TRP  10           HZ2      TRP  10  14.652  17.919  -1.660
   60    HZ3  TRP  10           HZ3      TRP  10  18.127  15.384  -1.472
   61    HH2  TRP  10           HH2      TRP  10  17.116  17.658  -1.451
   62    H    GLU  11           H        GLU  11  13.778   9.342  -1.865
   63    HA   GLU  11           HA       GLU  11  15.431   8.074  -3.959
   64   1HB   GLU  11          1HB       GLU  11  16.439   8.986  -1.718
   65   2HB   GLU  11          2HB       GLU  11  15.565   7.673  -0.951
   66   1HG   GLU  11          1HG       GLU  11  17.828   6.978  -1.237
   67   2HG   GLU  11          2HG       GLU  11  16.838   6.032  -2.346
   68    H    CYS  12           H        CYS  12  13.102   7.729  -1.693
   69    HA   CYS  12           HA       CYS  12  11.640   6.220  -0.801
   70   1HB   CYS  12          1HB       CYS  12  10.457   6.252  -2.722
   71   2HB   CYS  12          2HB       CYS  12  11.749   5.607  -3.693

  No H/Q in entry =          71
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   3.726   4.924   4.968
    2    H2   GLY   1           H2       GLY   1   4.101   3.647   5.951
    3    H3   GLY   1           H3       GLY   1   4.965   5.058   6.038
    4   1HA   GLY   1          2HA       GLY   1   4.935   3.191   3.776
    5   2HA   GLY   1          1HA       GLY   1   6.235   3.441   4.943
    6    H    CYS   2           H        CYS   2   7.818   4.390   3.874
    7    HA   CYS   2           HA       CYS   2   7.592   7.164   3.301
    8   1HB   CYS   2          1HB       CYS   2   9.599   5.450   3.986
    9   2HB   CYS   2          2HB       CYS   2  10.022   5.766   2.307
   10    H    CYS   3           H        CYS   3   8.231   4.409   0.989
   11    HA   CYS   3           HA       CYS   3   8.121   6.033  -1.319
   12   1HB   CYS   3          1HB       CYS   3   7.327   3.130  -0.974
   13   2HB   CYS   3          2HB       CYS   3   7.597   3.926  -2.522
   14    H    SER   4           H        SER   4   5.490   5.321   0.775
   15    HA   SER   4           HA       SER   4   3.420   5.957  -1.204
   16   1HB   SER   4          1HB       SER   4   2.094   5.035   0.885
   17   2HB   SER   4          2HB       SER   4   2.821   3.941  -0.302
   18    HG   SER   4           HG       SER   4   3.966   4.781   2.147
   19    H    ASP   5           H        ASP   5   5.474   7.816   0.331
   20    HA   ASP   5           HA       ASP   5   3.444   9.744   1.237
   21   1HB   ASP   5          1HB       ASP   5   4.520   8.741   3.245
   22   2HB   ASP   5          2HB       ASP   5   6.102   9.239   2.634
   23    HA   PRO   6           HA       PRO   6   5.753  11.131  -2.290
   24   1HB   PRO   6          1HB       PRO   6   4.621  13.615  -2.753
   25   2HB   PRO   6          2HB       PRO   6   3.896  12.047  -3.205
   26   1HG   PRO   6          2HG       PRO   6   3.347  13.713  -0.733
   27   2HG   PRO   6          1HG       PRO   6   2.162  12.924  -1.824
   28   1HD   PRO   6          1HD       PRO   6   2.900  11.776   0.514
   29   2HD   PRO   6          2HD       PRO   6   2.659  10.771  -0.951
   30    H    ARG   7           H        ARG   7   5.847  12.830   0.758
   31    HA   ARG   7           HA       ARG   7   7.866  14.746  -0.054
   32   1HB   ARG   7          1HB       ARG   7   6.090  14.856   1.849
   33   2HB   ARG   7          2HB       ARG   7   7.211  13.872   2.774
   34   1HG   ARG   7          2HG       ARG   7   8.089  15.817   3.484
   35   2HG   ARG   7          1HG       ARG   7   8.843  15.942   1.893
   36   1HD   ARG   7          1HD       ARG   7   7.748  17.985   2.393
   37   2HD   ARG   7          2HD       ARG   7   6.859  17.201   1.067
   38    HE   ARG   7           HE       ARG   7   5.470  16.365   3.226
   39   1HH1  ARG   7          1HH1      ARG   7   3.826  17.451   4.382
   40   2HH1  ARG   7          2HH1      ARG   7   3.639  19.168   4.297
   41   1HH2  ARG   7          1HH2      ARG   7   6.467  19.601   2.129
   42   2HH2  ARG   7          2HH2      ARG   7   5.258  20.445   3.016
   43    H    CYS   8           H        CYS   8   7.967  11.511   0.245
   44    HA   CYS   8           HA       CYS   8  10.874  11.389   0.924
   45   1HB   CYS   8          1HB       CYS   8   9.346  10.355   2.577
   46   2HB   CYS   8          2HB       CYS   8   8.699   9.308   1.322
   47    H    ALA   9           H        ALA   9   8.737  11.288  -1.644
   48    HA   ALA   9           HA       ALA   9   9.760   9.128  -3.222
   49   1HB   ALA   9          1HB       ALA   9   8.518  10.227  -5.026
   50   2HB   ALA   9          3HB       ALA   9   8.396  11.724  -4.080
   51   3HB   ALA   9          2HB       ALA   9   7.541  10.257  -3.552
   52    H    TRP  10           H        TRP  10  11.872  10.949  -2.030
   53    HA   TRP  10           HA       TRP  10  13.403  11.974  -4.284
   54   1HB   TRP  10          1HB       TRP  10  13.676  11.654  -1.270
   55   2HB   TRP  10          2HB       TRP  10  15.087  11.862  -2.283
   56    HD1  TRP  10           HD1      TRP  10  11.684  13.665  -1.903
   57    HE1  TRP  10           HE1      TRP  10  11.951  16.112  -2.400
   58    HE3  TRP  10           HE3      TRP  10  16.722  13.722  -2.846
   59    HZ2  TRP  10           HZ2      TRP  10  14.091  17.937  -3.129
   60    HZ3  TRP  10           HZ3      TRP  10  17.846  15.854  -3.449
   61    HH2  TRP  10           HH2      TRP  10  16.543  17.957  -3.607
   62    H    GLU  11           H        GLU  11  14.673   9.705  -1.877
   63    HA   GLU  11           HA       GLU  11  15.439   7.972  -4.064
   64   1HB   GLU  11          1HB       GLU  11  16.949   8.629  -2.114
   65   2HB   GLU  11          2HB       GLU  11  15.973   7.558  -1.098
   66   1HG   GLU  11          1HG       GLU  11  16.585   5.631  -2.555
   67   2HG   GLU  11          2HG       GLU  11  17.488   6.711  -3.619
   68    H    CYS  12           H        CYS  12  12.931   8.040  -1.973
   69    HA   CYS  12           HA       CYS  12  11.383   6.645  -1.045
   70   1HB   CYS  12          1HB       CYS  12  10.265   6.498  -2.907
   71   2HB   CYS  12          2HB       CYS  12  11.612   6.009  -3.885

  No H/Q in entry =          71
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   8.601   0.679   2.409
    2    H2   GLY   1           H2       GLY   1   9.017   0.898   3.980
    3    H3   GLY   1           H3       GLY   1   7.752  -0.096   3.585
    4   1HA   GLY   1          2HA       GLY   1   6.994   2.041   4.439
    5   2HA   GLY   1          1HA       GLY   1   6.452   1.673   2.791
    6    H    CYS   2           H        CYS   2   6.748   4.263   4.015
    7    HA   CYS   2           HA       CYS   2   7.424   6.328   3.779
    8   1HB   CYS   2          1HB       CYS   2   9.653   5.185   4.364
    9   2HB   CYS   2          2HB       CYS   2  10.112   5.497   2.699
   10    H    CYS   3           H        CYS   3   8.232   4.386   0.920
   11    HA   CYS   3           HA       CYS   3   8.382   6.590  -0.896
   12   1HB   CYS   3          1HB       CYS   3   9.300   4.286  -1.212
   13   2HB   CYS   3          2HB       CYS   3   7.666   3.711  -1.531
   14    H    SER   4           H        SER   4   5.510   5.287   0.635
   15    HA   SER   4           HA       SER   4   3.645   6.041  -1.403
   16   1HB   SER   4          1HB       SER   4   2.147   5.832   0.635
   17   2HB   SER   4          2HB       SER   4   3.087   4.403   0.186
   18    HG   SER   4           HG       SER   4   3.261   4.581   2.319
   19    H    ASP   5           H        ASP   5   5.578   7.794   0.947
   20    HA   ASP   5           HA       ASP   5   3.809  10.141   1.056
   21   1HB   ASP   5          1HB       ASP   5   5.073   9.436   3.055
   22   2HB   ASP   5          2HB       ASP   5   6.581   9.571   2.182
   23    HA   PRO   6           HA       PRO   6   6.066  11.395  -2.751
   24   1HB   PRO   6          1HB       PRO   6   5.198  14.029  -2.813
   25   2HB   PRO   6          2HB       PRO   6   4.319  12.637  -3.483
   26   1HG   PRO   6          2HG       PRO   6   3.930  13.976  -0.812
   27   2HG   PRO   6          1HG       PRO   6   2.680  13.447  -1.990
   28   1HD   PRO   6          1HD       PRO   6   3.298  11.963   0.176
   29   2HD   PRO   6          2HD       PRO   6   2.956  11.173  -1.395
   30    H    ARG   7           H        ARG   7   6.031  13.051   0.412
   31    HA   ARG   7           HA       ARG   7   8.418  14.608  -0.148
   32   1HB   ARG   7          1HB       ARG   7   6.441  15.266   1.306
   33   2HB   ARG   7          2HB       ARG   7   7.011  14.103   2.503
   34   1HG   ARG   7          1HG       ARG   7   8.999  15.395   2.891
   35   2HG   ARG   7          2HG       ARG   7   8.668  16.436   1.481
   36   1HD   ARG   7          1HD       ARG   7   6.692  17.348   2.522
   37   2HD   ARG   7          2HD       ARG   7   6.755  16.146   3.830
   38    HE   ARG   7           HE       ARG   7   9.043  17.147   4.288
   39   1HH1  ARG   7          1HH1      ARG   7   9.832  18.964   5.210
   40   2HH1  ARG   7          2HH1      ARG   7   9.095  20.535   5.068
   41   1HH2  ARG   7          1HH2      ARG   7   6.247  19.171   3.330
   42   2HH2  ARG   7          2HH2      ARG   7   6.868  20.579   4.136
   43    H    CYS   8           H        CYS   8   8.129  11.396   0.189
   44    HA   CYS   8           HA       CYS   8  10.928  11.147   1.216
   45   1HB   CYS   8          1HB       CYS   8   9.252  10.195   2.791
   46   2HB   CYS   8          2HB       CYS   8   8.695   9.129   1.510
   47    H    ALA   9           H        ALA   9   8.419  10.110  -1.084
   48    HA   ALA   9           HA       ALA   9   9.715   8.141  -2.515
   49   1HB   ALA   9          1HB       ALA   9   8.033   8.603  -4.205
   50   2HB   ALA   9          3HB       ALA   9   7.775  10.234  -3.567
   51   3HB   ALA   9          2HB       ALA   9   7.302   8.813  -2.608
   52    H    TRP  10           H        TRP  10  10.900  11.372  -2.426
   53    HA   TRP  10           HA       TRP  10  12.044  11.665  -5.008
   54   1HB   TRP  10          1HB       TRP  10  12.623  12.517  -2.143
   55   2HB   TRP  10          2HB       TRP  10  13.794  12.761  -3.401
   56    HD1  TRP  10           HD1      TRP  10   9.977  13.380  -3.718
   57    HE1  TRP  10           HE1      TRP  10   9.588  15.773  -4.475
   58    HE3  TRP  10           HE3      TRP  10  14.817  15.059  -3.601
   59    HZ2  TRP  10           HZ2      TRP  10  11.158  18.168  -4.902
   60    HZ3  TRP  10           HZ3      TRP  10  15.347  17.396  -4.229
   61    HH2  TRP  10           HH2      TRP  10  13.520  18.965  -4.879
   62    H    GLU  11           H        GLU  11  13.431  10.255  -1.906
   63    HA   GLU  11           HA       GLU  11  15.177   8.616  -3.560
   64   1HB   GLU  11          1HB       GLU  11  16.550   8.542  -1.671
   65   2HB   GLU  11          2HB       GLU  11  16.106  10.213  -1.937
   66   1HG   GLU  11          1HG       GLU  11  14.409  10.009  -0.086
   67   2HG   GLU  11          2HG       GLU  11  14.947   8.342   0.190
   68    H    CYS  12           H        CYS  12  12.370   8.287  -1.961
   69    HA   CYS  12           HA       CYS  12  10.928   6.595  -1.496
   70   1HB   CYS  12          1HB       CYS  12  10.891   6.783  -3.855
   71   2HB   CYS  12          2HB       CYS  12  12.347   5.849  -4.024

  No H/Q in entry =          71
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   8.582   2.043   3.853
    2    H2   GLY   1           H2       GLY   1   8.644   3.137   5.083
    3    H3   GLY   1           H3       GLY   1   7.516   1.938   5.113
    4   1HA   GLY   1          2HA       GLY   1   6.578   4.070   4.510
    5   2HA   GLY   1          1HA       GLY   1   6.378   2.848   3.237
    6    H    CYS   2           H        CYS   2   6.877   5.907   3.476
    7    HA   CYS   2           HA       CYS   2   7.903   7.634   2.624
    8   1HB   CYS   2          1HB       CYS   2  10.170   5.820   3.026
    9   2HB   CYS   2          2HB       CYS   2  10.457   7.062   1.817
   10    H    CYS   3           H        CYS   3   8.324   4.814   0.552
   11    HA   CYS   3           HA       CYS   3   8.317   6.277  -1.980
   12   1HB   CYS   3          1HB       CYS   3   7.232   3.515  -1.295
   13   2HB   CYS   3          2HB       CYS   3   7.468   4.139  -2.921
   14    H    SER   4           H        SER   4   5.852   5.039   0.285
   15    HA   SER   4           HA       SER   4   3.580   5.986  -1.197
   16   1HB   SER   4          1HB       SER   4   2.509   4.897   0.856
   17   2HB   SER   4          2HB       SER   4   3.475   3.878  -0.197
   18    HG   SER   4           HG       SER   4   3.981   3.424   1.869
   19    H    ASP   5           H        ASP   5   5.743   7.920   0.126
   20    HA   ASP   5           HA       ASP   5   3.742   9.636   1.479
   21   1HB   ASP   5          1HB       ASP   5   5.284   8.684   3.146
   22   2HB   ASP   5          2HB       ASP   5   6.651   9.307   2.225
   23    HA   PRO   6           HA       PRO   6   5.124  11.599  -2.302
   24   1HB   PRO   6          1HB       PRO   6   3.702  13.950  -2.193
   25   2HB   PRO   6          2HB       PRO   6   2.995  12.358  -2.605
   26   1HG   PRO   6          2HG       PRO   6   3.024  13.748   0.091
   27   2HG   PRO   6          1HG       PRO   6   1.622  13.016  -0.757
   28   1HD   PRO   6          1HD       PRO   6   2.978  11.665   1.160
   29   2HD   PRO   6          2HD       PRO   6   2.381  10.816  -0.302
   30    H    ARG   7           H        ARG   7   5.723  12.797   0.932
   31    HA   ARG   7           HA       ARG   7   7.445  14.959  -0.013
   32   1HB   ARG   7          1HB       ARG   7   5.898  14.810   2.167
   33   2HB   ARG   7          2HB       ARG   7   7.262  13.910   2.827
   34   1HG   ARG   7          2HG       ARG   7   7.724  16.071   3.531
   35   2HG   ARG   7          1HG       ARG   7   8.678  15.996   2.059
   36   1HD   ARG   7          2HD       ARG   7   7.550  18.055   1.914
   37   2HD   ARG   7          1HD       ARG   7   6.620  17.005   0.857
   38    HE   ARG   7           HE       ARG   7   5.924  17.676   3.691
   39   1HH1  ARG   7          1HH1      ARG   7   3.850  17.961   4.243
   40   2HH1  ARG   7          2HH1      ARG   7   2.555  18.028   3.083
   41   1HH2  ARG   7          1HH2      ARG   7   4.668  17.011   0.382
   42   2HH2  ARG   7          2HH2      ARG   7   3.037  17.388   0.878
   43    H    CYS   8           H        CYS   8   7.683  11.747   0.514
   44    HA   CYS   8           HA       CYS   8  10.627  11.824   1.159
   45   1HB   CYS   8          1HB       CYS   8   9.005  11.087   3.011
   46   2HB   CYS   8          2HB       CYS   8   8.718   9.660   2.004
   47    H    ALA   9           H        ALA   9   8.440  10.785  -1.242
   48    HA   ALA   9           HA       ALA   9   9.517   8.326  -1.962
   49   1HB   ALA   9          1HB       ALA   9   8.371   8.673  -4.090
   50   2HB   ALA   9          2HB       ALA   9   7.373   9.270  -2.753
   51   3HB   ALA   9          3HB       ALA   9   8.264  10.420  -3.785
   52    H    TRP  10           H        TRP  10  11.674  10.711  -1.741
   53    HA   TRP  10           HA       TRP  10  12.665  11.276  -4.309
   54   1HB   TRP  10          1HB       TRP  10  13.451  11.685  -1.457
   55   2HB   TRP  10          2HB       TRP  10  14.774  11.629  -2.591
   56    HD1  TRP  10           HD1      TRP  10  11.341  13.310  -3.171
   57    HE1  TRP  10           HE1      TRP  10  11.751  15.727  -3.907
   58    HE3  TRP  10           HE3      TRP  10  16.384  13.506  -2.448
   59    HZ2  TRP  10           HZ2      TRP  10  13.999  17.583  -3.995
   60    HZ3  TRP  10           HZ3      TRP  10  17.645  15.618  -2.804
   61    HH2  TRP  10           HH2      TRP  10  16.463  17.654  -3.574
   62    H    GLU  11           H        GLU  11  14.382   9.222  -1.818
   63    HA   GLU  11           HA       GLU  11  15.679   7.915  -4.063
   64   1HB   GLU  11          1HB       GLU  11  16.875   6.697  -2.177
   65   2HB   GLU  11          2HB       GLU  11  17.356   8.320  -2.619
   66   1HG   GLU  11          1HG       GLU  11  15.686   7.555  -0.209
   67   2HG   GLU  11          2HG       GLU  11  17.412   7.843  -0.210
   68    H    CYS  12           H        CYS  12  13.602   7.275  -1.618
   69    HA   CYS  12           HA       CYS  12  11.997   5.762  -1.060
   70   1HB   CYS  12          1HB       CYS  12  10.690   6.504  -2.709
   71   2HB   CYS  12          2HB       CYS  12  11.820   6.118  -3.983

  No H/Q in entry =          71
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  10.240   1.403   2.788
    2    H2   GLY   1           H2       GLY   1  11.168   2.127   3.950
    3    H3   GLY   1           H3       GLY   1  10.297   0.769   4.309
    4   1HA   GLY   1          2HA       GLY   1   9.238   2.719   5.202
    5   2HA   GLY   1          1HA       GLY   1   8.254   1.878   3.987
    6    H    CYS   2           H        CYS   2   7.476   4.286   4.345
    7    HA   CYS   2           HA       CYS   2   6.943   6.233   3.517
    8   1HB   CYS   2          2HB       CYS   2   8.438   7.883   3.665
    9   2HB   CYS   2          1HB       CYS   2   9.223   6.650   4.635
   10    H    CYS   3           H        CYS   3   8.252   4.194   1.097
   11    HA   CYS   3           HA       CYS   3   8.505   5.852  -1.089
   12   1HB   CYS   3          1HB       CYS   3   7.661   3.022  -0.694
   13   2HB   CYS   3          2HB       CYS   3   7.175   3.735  -2.215
   14    H    SER   4           H        SER   4   5.384   5.048   0.468
   15    HA   SER   4           HA       SER   4   3.760   6.018  -1.688
   16   1HB   SER   4          1HB       SER   4   2.080   5.827   0.335
   17   2HB   SER   4          2HB       SER   4   2.738   4.392  -0.450
   18    HG   SER   4           HG       SER   4   3.472   5.538   2.042
   19    H    ASP   5           H        ASP   5   5.625   7.708   0.728
   20    HA   ASP   5           HA       ASP   5   3.684   9.901   1.032
   21   1HB   ASP   5          1HB       ASP   5   4.932   9.232   2.996
   22   2HB   ASP   5          2HB       ASP   5   6.471   9.401   2.141
   23    HA   PRO   6           HA       PRO   6   5.512  11.803  -2.536
   24   1HB   PRO   6          1HB       PRO   6   4.681  14.421  -2.325
   25   2HB   PRO   6          2HB       PRO   6   3.614  13.068  -2.783
   26   1HG   PRO   6          2HG       PRO   6   3.990  14.282  -0.031
   27   2HG   PRO   6          1HG       PRO   6   2.453  13.938  -0.888
   28   1HD   PRO   6          1HD       PRO   6   3.432  12.206   0.938
   29   2HD   PRO   6          2HD       PRO   6   2.712  11.585  -0.575
   30    H    ARG   7           H        ARG   7   6.343  13.161   0.730
   31    HA   ARG   7           HA       ARG   7   8.516  14.692  -0.493
   32   1HB   ARG   7          1HB       ARG   7   6.867  15.346   1.564
   33   2HB   ARG   7          2HB       ARG   7   8.111  14.515   2.477
   34   1HG   ARG   7          2HG       ARG   7   9.337  16.382   2.447
   35   2HG   ARG   7          1HG       ARG   7   9.543  16.221   0.709
   36   1HD   ARG   7          1HD       ARG   7   7.398  17.801   2.175
   37   2HD   ARG   7          2HD       ARG   7   8.722  18.439   1.191
   38    HE   ARG   7           HE       ARG   7   7.275  16.798  -0.525
   39   1HH1  ARG   7          1HH1      ARG   7   5.561  17.337  -1.775
   40   2HH1  ARG   7          2HH1      ARG   7   4.584  18.757  -1.478
   41   1HH2  ARG   7          1HH2      ARG   7   6.625  19.797   1.281
   42   2HH2  ARG   7          2HH2      ARG   7   5.298  20.264   0.282
   43    H    CYS   8           H        CYS   8   8.077  11.594   0.388
   44    HA   CYS   8           HA       CYS   8  10.988  11.170   1.010
   45   1HB   CYS   8          1HB       CYS   8   9.167  10.691   2.780
   46   2HB   CYS   8          2HB       CYS   8   8.774   9.287   1.804
   47    H    ALA   9           H        ALA   9   8.305  10.283  -1.123
   48    HA   ALA   9           HA       ALA   9   9.524   8.166  -2.511
   49   1HB   ALA   9          1HB       ALA   9   8.087   8.907  -4.381
   50   2HB   ALA   9          3HB       ALA   9   7.787  10.449  -3.550
   51   3HB   ALA   9          2HB       ALA   9   7.207   8.920  -2.847
   52    H    TRP  10           H        TRP  10  10.860  11.303  -2.135
   53    HA   TRP  10           HA       TRP  10  12.063  11.869  -4.598
   54   1HB   TRP  10          1HB       TRP  10  12.419  12.585  -1.747
   55   2HB   TRP  10          2HB       TRP  10  13.923  12.537  -2.630
   56    HD1  TRP  10           HD1      TRP  10  10.417  14.097  -3.110
   57    HE1  TRP  10           HE1      TRP  10  10.641  16.324  -4.321
   58    HE3  TRP  10           HE3      TRP  10  15.495  14.104  -3.809
   59    HZ2  TRP  10           HZ2      TRP  10  12.777  17.874  -5.576
   60    HZ3  TRP  10           HZ3      TRP  10  16.597  15.958  -5.022
   61    HH2  TRP  10           HH2      TRP  10  15.240  17.838  -5.950
   62    H    GLU  11           H        GLU  11  13.497   9.820  -1.857
   63    HA   GLU  11           HA       GLU  11  14.806   8.302  -3.989
   64   1HB   GLU  11          1HB       GLU  11  16.638   8.150  -2.173
   65   2HB   GLU  11          2HB       GLU  11  16.576   9.563  -3.221
   66   1HG   GLU  11          1HG       GLU  11  17.084  10.127  -0.865
   67   2HG   GLU  11          2HG       GLU  11  15.619  10.908  -1.447
   68    H    CYS  12           H        CYS  12  12.909   8.268  -1.337
   69    HA   CYS  12           HA       CYS  12  12.005   6.900   0.138
   70   1HB   CYS  12          1HB       CYS  12  10.734   6.248  -1.662
   71   2HB   CYS  12          2HB       CYS  12  12.050   5.357  -2.407

  No H/Q in entry =          71
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   6.280   2.779   6.440
    2    H2   GLY   1           H2       GLY   1   5.336   3.008   5.110
    3    H3   GLY   1           H3       GLY   1   5.822   1.486   5.526
    4   1HA   GLY   1          2HA       GLY   1   7.091   2.288   3.665
    5   2HA   GLY   1          1HA       GLY   1   8.116   2.048   5.093
    6    H    CYS   2           H        CYS   2   7.983   4.017   2.680
    7    HA   CYS   2           HA       CYS   2   7.576   6.627   3.980
    8   1HB   CYS   2          1HB       CYS   2  10.061   5.592   4.246
    9   2HB   CYS   2          2HB       CYS   2  10.242   6.303   2.652
   10    H    CYS   3           H        CYS   3   8.746   4.849   1.079
   11    HA   CYS   3           HA       CYS   3   8.608   6.787  -0.874
   12   1HB   CYS   3          1HB       CYS   3   9.535   4.590  -1.241
   13   2HB   CYS   3          2HB       CYS   3   7.985   3.813  -0.923
   14    H    SER   4           H        SER   4   5.887   5.196   0.651
   15    HA   SER   4           HA       SER   4   3.962   5.630  -1.440
   16   1HB   SER   4          1HB       SER   4   4.092   4.498   1.318
   17   2HB   SER   4          2HB       SER   4   2.551   5.268   0.928
   18    HG   SER   4           HG       SER   4   2.133   3.901  -0.595
   19    H    ASP   5           H        ASP   5   5.471   7.970   0.532
   20    HA   ASP   5           HA       ASP   5   3.125   9.760   0.242
   21   1HB   ASP   5          1HB       ASP   5   3.561   9.433   2.636
   22   2HB   ASP   5          2HB       ASP   5   5.267   9.835   2.400
   23    HA   PRO   6           HA       PRO   6   5.916  11.386  -2.703
   24   1HB   PRO   6          1HB       PRO   6   4.947  13.939  -3.125
   25   2HB   PRO   6          2HB       PRO   6   4.189  12.445  -3.753
   26   1HG   PRO   6          1HG       PRO   6   3.479  13.979  -1.239
   27   2HG   PRO   6          2HG       PRO   6   2.371  13.352  -2.503
   28   1HD   PRO   6          1HD       PRO   6   2.785  12.007  -0.201
   29   2HD   PRO   6          2HD       PRO   6   2.652  11.117  -1.739
   30    H    ARG   7           H        ARG   7   5.618  13.069   0.472
   31    HA   ARG   7           HA       ARG   7   7.968  14.677  -0.120
   32   1HB   ARG   7          1HB       ARG   7   5.859  15.064   1.621
   33   2HB   ARG   7          2HB       ARG   7   7.047  14.333   2.694
   34   1HG   ARG   7          2HG       ARG   7   7.711  16.513   2.903
   35   2HG   ARG   7          1HG       ARG   7   8.695  16.090   1.519
   36   1HD   ARG   7          1HD       ARG   7   6.290  17.845   1.731
   37   2HD   ARG   7          2HD       ARG   7   7.796  18.162   0.892
   38    HE   ARG   7           HE       ARG   7   5.356  16.987  -0.125
   39   1HH1  ARG   7          1HH1      ARG   7   5.116  16.397  -2.213
   40   2HH1  ARG   7          2HH1      ARG   7   6.461  16.181  -3.309
   41   1HH2  ARG   7          1HH2      ARG   7   8.848  17.246  -0.851
   42   2HH2  ARG   7          2HH2      ARG   7   8.628  16.751  -2.504
   43    H    CYS   8           H        CYS   8   7.632  11.485   0.380
   44    HA   CYS   8           HA       CYS   8  10.487  11.362   1.185
   45   1HB   CYS   8          1HB       CYS   8   8.880  10.633   3.022
   46   2HB   CYS   8          2HB       CYS   8   8.509   9.258   1.994
   47    H    ALA   9           H        ALA   9   8.634  11.174  -1.410
   48    HA   ALA   9           HA       ALA   9   9.812   8.837  -2.773
   49   1HB   ALA   9          1HB       ALA   9   8.836   9.888  -4.743
   50   2HB   ALA   9          2HB       ALA   9   8.490  11.379  -3.843
   51   3HB   ALA   9          3HB       ALA   9   7.634   9.878  -3.436
   52    H    TRP  10           H        TRP  10  11.854  10.058  -1.328
   53    HA   TRP  10           HA       TRP  10  13.301  12.039  -2.776
   54   1HB   TRP  10          1HB       TRP  10  13.686  10.274  -0.418
   55   2HB   TRP  10          2HB       TRP  10  15.154  10.576  -1.327
   56    HD1  TRP  10           HD1      TRP  10  12.265  12.599   0.212
   57    HE1  TRP  10           HE1      TRP  10  13.091  14.919   0.847
   58    HE3  TRP  10           HE3      TRP  10  17.031  12.236  -1.609
   59    HZ2  TRP  10           HZ2      TRP  10  15.554  16.463   0.551
   60    HZ3  TRP  10           HZ3      TRP  10  18.533  14.192  -1.575
   61    HH2  TRP  10           HH2      TRP  10  17.809  16.319  -0.492
   62    H    GLU  11           H        GLU  11  14.008   8.579  -2.355
   63    HA   GLU  11           HA       GLU  11  14.497   8.300  -5.265
   64   1HB   GLU  11          1HB       GLU  11  16.611   8.676  -4.237
   65   2HB   GLU  11          2HB       GLU  11  16.305   7.552  -2.940
   66   1HG   GLU  11          1HG       GLU  11  16.347   6.564  -5.814
   67   2HG   GLU  11          2HG       GLU  11  17.855   6.991  -5.021
   68    H    CYS  12           H        CYS  12  12.935   7.374  -2.573
   69    HA   CYS  12           HA       CYS  12  11.452   5.908  -1.880
   70   1HB   CYS  12          1HB       CYS  12  10.088   6.475  -3.583
   71   2HB   CYS  12          2HB       CYS  12  11.167   5.919  -4.816

  No H/Q in entry =          71
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   7.689   0.769   4.328
    2    H2   GLY   1           H2       GLY   1   9.170   0.390   4.943
    3    H3   GLY   1           H3       GLY   1   8.288   1.643   5.579
    4   1HA   GLY   1          2HA       GLY   1   9.404   1.537   2.860
    5   2HA   GLY   1          1HA       GLY   1  10.060   2.486   4.205
    6    H    CYS   2           H        CYS   2   9.658   4.559   3.533
    7    HA   CYS   2           HA       CYS   2   6.920   5.450   3.944
    8   1HB   CYS   2          1HB       CYS   2   7.884   7.707   3.786
    9   2HB   CYS   2          2HB       CYS   2   8.617   6.690   4.999
   10    H    CYS   3           H        CYS   3   7.939   4.067   1.223
   11    HA   CYS   3           HA       CYS   3   7.734   6.029  -0.755
   12   1HB   CYS   3          1HB       CYS   3   7.185   3.071  -0.958
   13   2HB   CYS   3          2HB       CYS   3   7.427   4.155  -2.321
   14    H    SER   4           H        SER   4   5.160   5.362   1.222
   15    HA   SER   4           HA       SER   4   3.006   5.621  -0.712
   16   1HB   SER   4          1HB       SER   4   1.846   5.935   1.633
   17   2HB   SER   4          2HB       SER   4   2.404   4.342   1.119
   18    HG   SER   4           HG       SER   4   3.313   4.426   3.026
   19    H    ASP   5           H        ASP   5   5.389   7.692   0.573
   20    HA   ASP   5           HA       ASP   5   3.586  10.019   0.877
   21   1HB   ASP   5          1HB       ASP   5   4.733   9.178   2.876
   22   2HB   ASP   5          2HB       ASP   5   6.283   9.266   2.053
   23    HA   PRO   6           HA       PRO   6   5.703  11.539  -2.763
   24   1HB   PRO   6          1HB       PRO   6   4.870  14.140  -2.861
   25   2HB   PRO   6          2HB       PRO   6   3.787  12.752  -3.184
   26   1HG   PRO   6          2HG       PRO   6   4.126  14.276  -0.579
   27   2HG   PRO   6          1HG       PRO   6   2.608  13.850  -1.427
   28   1HD   PRO   6          1HD       PRO   6   3.565  12.337   0.625
   29   2HD   PRO   6          2HD       PRO   6   2.773  11.578  -0.791
   30    H    ARG   7           H        ARG   7   6.353  12.907   0.410
   31    HA   ARG   7           HA       ARG   7   8.661  14.402  -0.582
   32   1HB   ARG   7          1HB       ARG   7   6.958  15.103   1.279
   33   2HB   ARG   7          2HB       ARG   7   7.842  14.031   2.338
   34   1HG   ARG   7          1HG       ARG   7   9.146  16.296   0.774
   35   2HG   ARG   7          2HG       ARG   7   8.342  16.570   2.308
   36   1HD   ARG   7          1HD       ARG   7  10.796  14.846   1.911
   37   2HD   ARG   7          2HD       ARG   7  10.728  16.449   2.612
   38    HE   ARG   7           HE       ARG   7   8.997  14.622   4.029
   39   1HH1  ARG   7          1HH1      ARG   7   9.625  13.878   6.096
   40   2HH1  ARG   7          2HH1      ARG   7  11.314  13.857   6.541
   41   1HH2  ARG   7          1HH2      ARG   7  12.410  15.410   3.566
   42   2HH2  ARG   7          2HH2      ARG   7  12.922  14.925   5.139
   43    H    CYS   8           H        CYS   8   7.873  11.381   0.367
   44    HA   CYS   8           HA       CYS   8  10.605  10.496   1.173
   45   1HB   CYS   8          1HB       CYS   8   8.631   9.373   2.149
   46   2HB   CYS   8          2HB       CYS   8   8.143   8.851   0.543
   47    H    ALA   9           H        ALA   9   8.613  10.677  -1.733
   48    HA   ALA   9           HA       ALA   9  10.182   9.070  -3.440
   49   1HB   ALA   9          1HB       ALA   9   9.045  10.389  -5.250
   50   2HB   ALA   9          3HB       ALA   9   8.325  11.396  -3.990
   51   3HB   ALA   9          2HB       ALA   9   7.961   9.675  -4.058
   52    H    TRP  10           H        TRP  10  11.451  11.664  -1.770
   53    HA   TRP  10           HA       TRP  10  13.330  12.823  -3.515
   54   1HB   TRP  10          1HB       TRP  10  13.087  12.089  -0.624
   55   2HB   TRP  10          2HB       TRP  10  14.722  12.010  -1.232
   56    HD1  TRP  10           HD1      TRP  10  11.832  14.554  -1.095
   57    HE1  TRP  10           HE1      TRP  10  12.805  16.908  -0.877
   58    HE3  TRP  10           HE3      TRP  10  16.816  13.399  -1.499
   59    HZ2  TRP  10           HZ2      TRP  10  15.431  18.159  -1.006
   60    HZ3  TRP  10           HZ3      TRP  10  18.529  15.188  -1.417
   61    HH2  TRP  10           HH2      TRP  10  17.843  17.570  -1.212
   62    H    GLU  11           H        GLU  11  13.193   9.563  -2.015
   63    HA   GLU  11           HA       GLU  11  14.804   8.557  -4.269
   64   1HB   GLU  11          1HB       GLU  11  16.345   9.196  -2.352
   65   2HB   GLU  11          2HB       GLU  11  15.503   8.029  -1.343
   66   1HG   GLU  11          2HG       GLU  11  17.601   7.126  -2.070
   67   2HG   GLU  11          1HG       GLU  11  16.317   6.184  -2.806
   68    H    CYS  12           H        CYS  12  12.195   8.268  -2.354
   69    HA   CYS  12           HA       CYS  12  10.808   6.798  -1.447
   70   1HB   CYS  12          1HB       CYS  12   9.845   6.356  -3.387
   71   2HB   CYS  12          2HB       CYS  12  11.303   5.766  -4.155

  No H/Q in entry =          71
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   9.515   1.350   2.424
    2    H2   GLY   1           H2       GLY   1  10.915   1.003   3.215
    3    H3   GLY   1           H3       GLY   1   9.715   1.837   3.981
    4   1HA   GLY   1          2HA       GLY   1  11.356   2.766   1.730
    5   2HA   GLY   1          1HA       GLY   1  11.393   3.386   3.393
    6    H    CYS   2           H        CYS   2  10.874   5.509   2.563
    7    HA   CYS   2           HA       CYS   2   8.177   6.122   2.981
    8   1HB   CYS   2          1HB       CYS   2   8.903   8.364   2.841
    9   2HB   CYS   2          2HB       CYS   2  10.180   7.449   3.619
   10    H    CYS   3           H        CYS   3   8.481   4.586   0.375
   11    HA   CYS   3           HA       CYS   3   8.270   6.253  -1.896
   12   1HB   CYS   3          1HB       CYS   3   8.675   3.705  -1.734
   13   2HB   CYS   3          2HB       CYS   3   6.930   3.551  -1.529
   14    H    SER   4           H        SER   4   5.755   5.064   0.341
   15    HA   SER   4           HA       SER   4   3.522   5.926  -1.239
   16   1HB   SER   4          1HB       SER   4   2.428   5.194   1.023
   17   2HB   SER   4          2HB       SER   4   3.197   3.994  -0.015
   18    HG   SER   4           HG       SER   4   4.109   5.092   2.398
   19    H    ASP   5           H        ASP   5   5.715   7.869   0.394
   20    HA   ASP   5           HA       ASP   5   3.591   9.834   1.051
   21   1HB   ASP   5          1HB       ASP   5   4.672   9.274   3.108
   22   2HB   ASP   5          2HB       ASP   5   6.276   9.440   2.378
   23    HA   PRO   6           HA       PRO   6   5.877  11.495  -2.524
   24   1HB   PRO   6          1HB       PRO   6   4.236  13.618  -3.105
   25   2HB   PRO   6          2HB       PRO   6   3.860  11.922  -3.544
   26   1HG   PRO   6          2HG       PRO   6   2.885  13.484  -1.137
   27   2HG   PRO   6          1HG       PRO   6   1.921  12.499  -2.284
   28   1HD   PRO   6          1HD       PRO   6   2.772  11.527   0.108
   29   2HD   PRO   6          2HD       PRO   6   2.712  10.473  -1.338
   30    H    ARG   7           H        ARG   7   5.077  13.063   0.566
   31    HA   ARG   7           HA       ARG   7   6.863  15.303   0.109
   32   1HB   ARG   7          1HB       ARG   7   4.886  15.203   1.759
   33   2HB   ARG   7          2HB       ARG   7   5.895  14.212   2.775
   34   1HG   ARG   7          1HG       ARG   7   6.959  16.884   1.813
   35   2HG   ARG   7          2HG       ARG   7   5.640  16.868   2.957
   36   1HD   ARG   7          1HD       ARG   7   7.222  15.105   4.247
   37   2HD   ARG   7          2HD       ARG   7   8.483  16.013   3.408
   38    HE   ARG   7           HE       ARG   7   6.610  16.895   5.437
   39   1HH1  ARG   7          1HH1      ARG   7   7.175  18.916   6.523
   40   2HH1  ARG   7          2HH1      ARG   7   8.125  20.103   5.698
   41   1HH2  ARG   7          1HH2      ARG   7   8.938  17.973   2.945
   42   2HH2  ARG   7          2HH2      ARG   7   9.142  19.549   3.612
   43    H    CYS   8           H        CYS   8   7.483  12.109   0.277
   44    HA   CYS   8           HA       CYS   8  10.309  12.682   0.908
   45   1HB   CYS   8          1HB       CYS   8   9.232  11.460   2.745
   46   2HB   CYS   8          2HB       CYS   8   8.781  10.169   1.659
   47    H    ALA   9           H        ALA   9   8.752   9.692  -0.267
   48    HA   ALA   9           HA       ALA   9   9.661   8.292  -1.964
   49   1HB   ALA   9          1HB       ALA   9   8.819   9.062  -4.111
   50   2HB   ALA   9          2HB       ALA   9   8.655  10.715  -3.482
   51   3HB   ALA   9          3HB       ALA   9   7.654   9.404  -2.818
   52    H    TRP  10           H        TRP  10  11.904   9.717  -0.747
   53    HA   TRP  10           HA       TRP  10  13.364  11.425  -2.291
   54   1HB   TRP  10          1HB       TRP  10  13.798   9.563   0.005
   55   2HB   TRP  10          2HB       TRP  10  15.238   9.944  -0.888
   56    HD1  TRP  10           HD1      TRP  10  12.450  12.494  -0.011
   57    HE1  TRP  10           HE1      TRP  10  13.505  14.388   1.354
   58    HE3  TRP  10           HE3      TRP  10  17.196  10.612   0.476
   59    HZ2  TRP  10           HZ2      TRP  10  16.116  15.081   2.366
   60    HZ3  TRP  10           HZ3      TRP  10  18.953  11.955   1.620
   61    HH2  TRP  10           HH2      TRP  10  18.425  14.180   2.538
   62    H    GLU  11           H        GLU  11  14.162   7.941  -1.893
   63    HA   GLU  11           HA       GLU  11  14.657   7.718  -4.794
   64   1HB   GLU  11          1HB       GLU  11  15.736   5.600  -4.078
   65   2HB   GLU  11          2HB       GLU  11  16.616   7.037  -3.555
   66   1HG   GLU  11          1HG       GLU  11  15.838   6.773  -1.303
   67   2HG   GLU  11          2HG       GLU  11  14.684   5.517  -1.768
   68    H    CYS  12           H        CYS  12  12.252   7.488  -2.626
   69    HA   CYS  12           HA       CYS  12  10.579   6.182  -1.977
   70   1HB   CYS  12          1HB       CYS  12   9.435   6.442  -3.801
   71   2HB   CYS  12          2HB       CYS  12  10.703   6.042  -4.864

  No H/Q in entry =          71