*HEADER    PEPTIDE TOXIN                           24-AUG-00   1E76
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT
*TITLE    2 MUTATION VARIANT D5N
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IM1(D5N);
*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      3.42                
  1 GLY  HA2     2 CYS  HN      3.42                
  1 GLY  QA      2 CYS  HN      3.23                
  1 GLY  QA      3 CYS  HN      5.51                
  2 CYS  HN      3 CYS  HN      4.11                
  2 CYS  HA      5 ASN  HB2     3.79                
  2 CYS  QB      3 CYS  HN      3.62                
  3 CYS  HN      3 CYS  HB2     3.61                
  3 CYS  HN      3 CYS  HB3     3.61                
  3 CYS  HN      3 CYS  QB      3.20                
  3 CYS  HN      4 SER  HN      3.89                
  3 CYS  HN     12 CYS  HA      4.29                
  3 CYS  HA      9 ALA  HA      4.45                
  3 CYS  QB     12 CYS  QB      7.06                
  4 SER  HN      4 SER  HB2     3.48                
  4 SER  HN      4 SER  HB3     3.08                
  4 SER  HN      5 ASN  HN      3.02                
  4 SER  HA      4 SER  HB2     2.68                
  4 SER  HA      4 SER  HB3     2.46                
  4 SER  HA      5 ASN  HN      3.27                
  5 ASN  HN      5 ASN  HB2     3.08                
  5 ASN  HN      5 ASN  HB3     3.14                
  5 ASN  HA      5 ASN  HB2     2.62                
  5 ASN  HA      6 PRO  HD2     2.77                
  5 ASN  HA      6 PRO  HD3     2.77                
  5 ASN  HA      6 PRO  QD      2.55                
  5 ASN  HB2     5 ASN  HD21    3.21                
  5 ASN  HB2     6 PRO  HD2     4.66                
  5 ASN  HB2     6 PRO  HD3     4.66                
  5 ASN  HB2     6 PRO  QD      4.50                
  5 ASN  HB3     6 PRO  QD      6.10                
  6 PRO  HA      7 ARG  HN      2.83                
  6 PRO  HA      9 ALA  QB      5.26                
  6 PRO  QD      7 ARG  HN      5.44                
  7 ARG  HN      7 ARG  HA      2.90                
  7 ARG  HN      7 ARG  HB2     3.17                
  7 ARG  HN      7 ARG  HB3     2.96                
  7 ARG  HN      7 ARG  QG      4.52                
  7 ARG  HN      8 CYS  HN      2.55                
  7 ARG  HA      7 ARG  HB2     2.62                
  7 ARG  HA      7 ARG  QD      5.57                
  7 ARG  HA      8 CYS  HN      3.55                
  7 ARG  HB2     7 ARG  HE      5.50                
  7 ARG  HB3     7 ARG  HE      5.50                
  8 CYS  HN      8 CYS  HB2     3.95                
  8 CYS  HN      8 CYS  HB3     3.95                
  8 CYS  HN      8 CYS  QB      3.45                
  8 CYS  HN      9 ALA  HN      2.55                
  8 CYS  HA      9 ALA  HN      2.99                
  9 ALA  HN      9 ALA  HA      2.93                
  9 ALA  HN     10 TRP  HN      3.27                
  9 ALA  HA     10 TRP  HN      3.45                
 10 TRP  HN     10 TRP  HB2     3.24                
 10 TRP  HN     10 TRP  HB3     3.30                
 10 TRP  HN     10 TRP  HD1     3.08                
 10 TRP  HN     11 ARG  HN      3.45                
 10 TRP  HA     10 TRP  HD1     5.50                
 10 TRP  HB2    10 TRP  HD1     3.55                
 10 TRP  HB2    10 TRP  HE3     3.11                
 10 TRP  HB2    11 ARG  HN      4.14                
 10 TRP  HB3    10 TRP  HD1     3.67                
 10 TRP  HB3    10 TRP  HE3     3.24                
 11 ARG  HN     12 CYS  HN      4.66                
 11 ARG  HA     11 ARG  QD      6.38                
 11 ARG  HA     12 CYS  HN      2.90                
 11 ARG  QB     11 ARG  HE      6.38                
 12 CYS  HN     12 CYS  HB2     3.86                
 12 CYS  HN     12 CYS  HB3     3.86                
 12 CYS  HN     12 CYS  QB      3.63                
 12 CYS  HN     13 NH2  1HN     5.19                

Dihedral Angle Constraints
==========================
   2 CYS   PHI    -325.0   -35.0
   2 CYS   PHI    -215.0   105.0
   2 CYS   CHI1   -235.0    95.0
   3 CYS   PHI    -185.0   -55.0
   3 CYS   PHI     -75.0   195.0
   3 CYS   CHI1   -325.0   -25.0
   4 SER   PHI     -85.0   -65.0
   4 SER   CHI1     15.0    95.0
   5 ASN   PHI    -155.0   -85.0
   5 ASN   PHI    -105.0   225.0
   5 ASN   CHI1   -215.0  -125.0
   7 ARG   PHI    -165.0   -55.0
   7 ARG   CHI1   -215.0  -125.0
   8 CYS   PHI      55.0   275.0
   8 CYS   PHI    -155.0    65.0
   8 CYS   PHI    -105.0   225.0
   8 CYS   CHI1   -125.0     5.0
   8 CYS   CHI1    -15.0   255.0
   9 ALA   PHI      25.0   325.0
   9 ALA   PHI    -205.0    95.0
  10 TRP   PHI     -75.0   -55.0
  10 TRP   CHI1    -95.0   -75.0
  11 ARG   PHI    -195.0   -45.0
  11 ARG   PHI     -65.0   185.0
  11 ARG   CHI1     15.0   335.0
  11 ARG   CHI1   -215.0   105.0
  12 CYS   PHI      35.0   295.0
  12 CYS   PHI    -165.0    95.0
  12 CYS   PHI     -85.0   215.0
  12 CYS   CHI1   -255.0    25.0
  12 CYS   CHI1   -205.0   135.0
  12 CYS   CHI1   -145.0   195.0
  12 CYS   CHI1    -65.0   225.0
  12 CYS   CHI1     -5.0   325.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1   4.820 -16.974   4.801
    2    H2   GLY   1           H2       GLY   1   4.448 -16.758   3.218
    3    H3   GLY   1           H3       GLY   1   4.821 -18.267   3.783
    4   1HA   GLY   1          2HA       GLY   1   6.658 -17.311   2.543
    5   2HA   GLY   1          1HA       GLY   1   7.055 -17.614   4.251
    6    H    CYS   2           H        CYS   2   7.627 -15.428   1.966
    7    HA   CYS   2           HA       CYS   2   6.829 -13.021   3.506
    8   1HB   CYS   2          1HB       CYS   2   9.214 -13.601   4.083
    9   2HB   CYS   2          2HB       CYS   2   9.652 -13.269   2.405
   10    H    CYS   3           H        CYS   3   8.046 -14.332   0.331
   11    HA   CYS   3           HA       CYS   3   7.317 -12.014  -1.141
   12   1HB   CYS   3          1HB       CYS   3   7.036 -13.673  -3.052
   13   2HB   CYS   3          2HB       CYS   3   8.613 -13.424  -2.348
   14    H    SER   4           H        SER   4   5.354 -14.438   0.389
   15    HA   SER   4           HA       SER   4   2.873 -14.079  -0.890
   16   1HB   SER   4          1HB       SER   4   2.164 -14.962   1.440
   17   2HB   SER   4          2HB       SER   4   3.294 -15.944   0.509
   18    HG   SER   4           HG       SER   4   3.749 -14.300   2.760
   19    H    ASN   5           H        ASN   5   4.684 -11.671   0.529
   20    HA   ASN   5           HA       ASN   5   2.339 -10.043   1.283
   21   1HB   ASN   5          1HB       ASN   5   3.613 -10.920   3.261
   22   2HB   ASN   5          2HB       ASN   5   5.074 -10.171   2.649
   23   2HD2  ASN   5          2HD2      ASN   5   5.475  -8.245   3.588
   24   1HD2  ASN   5          1HD2      ASN   5   4.253  -7.100   4.124
   25    HA   PRO   6           HA       PRO   6   4.480  -7.917  -1.928
   26   1HB   PRO   6          1HB       PRO   6   3.017  -5.582  -2.204
   27   2HB   PRO   6          2HB       PRO   6   2.343  -7.185  -2.600
   28   1HG   PRO   6          2HG       PRO   6   2.039  -5.627  -0.025
   29   2HG   PRO   6          1HG       PRO   6   0.760  -6.438  -0.986
   30   1HD   PRO   6          1HD       PRO   6   1.911  -7.604   1.197
   31   2HD   PRO   6          2HD       PRO   6   1.410  -8.579  -0.208
   32    H    ARG   7           H        ARG   7   5.306  -7.391   0.822
   33    HA   ARG   7           HA       ARG   7   6.867  -4.883   0.478
   34   1HB   ARG   7          1HB       ARG   7   5.375  -5.385   2.601
   35   2HB   ARG   7          2HB       ARG   7   6.748  -6.393   3.077
   36   1HG   ARG   7          1HG       ARG   7   8.188  -4.256   2.787
   37   2HG   ARG   7          2HG       ARG   7   6.663  -3.392   2.557
   38   1HD   ARG   7          2HD       ARG   7   7.254  -3.134   4.857
   39   2HD   ARG   7          1HD       ARG   7   5.915  -4.252   4.828
   40    HE   ARG   7           HE       ARG   7   8.809  -4.847   5.251
   41   1HH1  ARG   7          1HH1      ARG   7   9.437  -6.778   6.050
   42   2HH1  ARG   7          2HH1      ARG   7   8.323  -8.040   6.485
   43   1HH2  ARG   7          1HH2      ARG   7   5.449  -6.016   5.652
   44   2HH2  ARG   7          2HH2      ARG   7   5.936  -7.575   6.220
   45    H    CYS   8           H        CYS   8   7.148  -8.024  -0.352
   46    HA   CYS   8           HA       CYS   8  10.011  -8.284   0.406
   47   1HB   CYS   8          1HB       CYS   8   7.851  -9.723   1.463
   48   2HB   CYS   8          2HB       CYS   8   8.564 -10.810   0.283
   49    H    ALA   9           H        ALA   9   8.724  -7.360  -2.108
   50    HA   ALA   9           HA       ALA   9   8.667  -9.243  -4.102
   51   1HB   ALA   9          1HB       ALA   9   7.999  -6.846  -4.267
   52   2HB   ALA   9          3HB       ALA   9   8.979  -7.391  -5.632
   53   3HB   ALA   9          2HB       ALA   9   9.707  -6.397  -4.341
   54    H    TRP  10           H        TRP  10  11.555  -7.659  -2.811
   55    HA   TRP  10           HA       TRP  10  13.365  -8.202  -4.773
   56   1HB   TRP  10          1HB       TRP  10  13.558  -7.875  -1.752
   57   2HB   TRP  10          2HB       TRP  10  14.936  -7.964  -2.797
   58    HD1  TRP  10           HD1      TRP  10  12.256  -5.918  -4.373
   59    HE1  TRP  10           HE1      TRP  10  12.667  -3.439  -4.064
   60    HE3  TRP  10           HE3      TRP  10  16.107  -6.179  -1.028
   61    HZ2  TRP  10           HZ2      TRP  10  14.478  -1.735  -2.563
   62    HZ3  TRP  10           HZ3      TRP  10  17.111  -4.101  -0.105
   63    HH2  TRP  10           HH2      TRP  10  16.287  -1.875  -0.850
   64    H    ARG  11           H        ARG  11  12.406 -10.418  -2.048
   65    HA   ARG  11           HA       ARG  11  13.809 -12.667  -3.183
   66   1HB   ARG  11          1HB       ARG  11  15.510 -12.825  -1.390
   67   2HB   ARG  11          2HB       ARG  11  15.811 -11.459  -2.451
   68   1HG   ARG  11          1HG       ARG  11  14.838  -9.928  -0.692
   69   2HG   ARG  11          2HG       ARG  11  14.596 -11.337   0.347
   70   1HD   ARG  11          1HD       ARG  11  16.659 -11.060   1.143
   71   2HD   ARG  11          2HD       ARG  11  17.280 -11.568  -0.412
   72    HE   ARG  11           HE       ARG  11  17.755  -9.393  -1.033
   73   1HH1  ARG  11          1HH1      ARG  11  18.464  -7.246  -0.495
   74   2HH1  ARG  11          2HH1      ARG  11  18.380  -6.732   1.148
   75   1HH2  ARG  11          1HH2      ARG  11  16.427  -9.477   2.273
   76   2HH2  ARG  11          2HH2      ARG  11  17.123  -7.962   2.718
   77    H    CYS  12           H        CYS  12  13.473 -14.570  -1.902
   78    HA   CYS  12           HA       CYS  12  11.556 -14.321   0.338
   79   1HB   CYS  12          1HB       CYS  12  10.512 -14.374  -2.005
   80   2HB   CYS  12          2HB       CYS  12  11.135 -16.016  -2.149

  No H/Q in entry =          80
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   3.567 -15.733   1.835
    2    H2   GLY   1           H2       GLY   1   2.676 -16.405   3.051
    3    H3   GLY   1           H3       GLY   1   2.367 -14.865   2.532
    4   1HA   GLY   1          2HA       GLY   1   4.737 -15.784   3.961
    5   2HA   GLY   1          1HA       GLY   1   3.463 -14.719   4.587
    6    H    CYS   2           H        CYS   2   6.096 -13.958   4.681
    7    HA   CYS   2           HA       CYS   2   6.335 -11.420   3.727
    8   1HB   CYS   2          1HB       CYS   2   7.819 -12.944   5.275
    9   2HB   CYS   2          2HB       CYS   2   8.694 -13.326   3.814
   10    H    CYS   3           H        CYS   3   7.445 -14.404   2.014
   11    HA   CYS   3           HA       CYS   3   8.717 -12.988  -0.094
   12   1HB   CYS   3          2HB       CYS   3   7.658 -15.841  -0.022
   13   2HB   CYS   3          1HB       CYS   3   8.823 -15.185  -1.168
   14    H    SER   4           H        SER   4   5.281 -14.043   0.230
   15    HA   SER   4           HA       SER   4   4.806 -13.533  -2.606
   16   1HB   SER   4          1HB       SER   4   2.477 -14.221  -1.935
   17   2HB   SER   4          2HB       SER   4   3.729 -15.455  -1.711
   18    HG   SER   4           HG       SER   4   2.046 -14.719   0.038
   19    H    ASN   5           H        ASN   5   4.618 -12.032   0.392
   20    HA   ASN   5           HA       ASN   5   2.605 -10.022  -0.279
   21   1HB   ASN   5          1HB       ASN   5   2.916 -10.964   2.032
   22   2HB   ASN   5          2HB       ASN   5   4.519 -10.226   2.097
   23   2HD2  ASN   5          2HD2      ASN   5   1.035  -9.561   2.010
   24   1HD2  ASN   5          1HD2      ASN   5   1.145  -7.911   2.579
   25    HA   PRO   6           HA       PRO   6   5.715  -7.390  -1.965
   26   1HB   PRO   6          1HB       PRO   6   4.394  -5.003  -2.370
   27   2HB   PRO   6          2HB       PRO   6   4.058  -6.496  -3.291
   28   1HG   PRO   6          2HG       PRO   6   2.603  -5.446  -0.851
   29   2HG   PRO   6          1HG       PRO   6   1.915  -6.063  -2.388
   30   1HD   PRO   6          1HD       PRO   6   2.116  -7.589  -0.145
   31   2HD   PRO   6          2HD       PRO   6   2.264  -8.278  -1.785
   32    H    ARG   7           H        ARG   7   5.384  -7.497   0.935
   33    HA   ARG   7           HA       ARG   7   6.983  -5.188   1.860
   34   1HB   ARG   7          1HB       ARG   7   5.469  -6.430   3.422
   35   2HB   ARG   7          2HB       ARG   7   6.433  -7.878   3.216
   36   1HG   ARG   7          1HG       ARG   7   8.389  -6.779   4.219
   37   2HG   ARG   7          2HG       ARG   7   7.555  -5.227   4.248
   38   1HD   ARG   7          1HD       ARG   7   6.725  -7.704   5.826
   39   2HD   ARG   7          2HD       ARG   7   7.625  -6.325   6.462
   40    HE   ARG   7           HE       ARG   7   5.066  -5.693   5.175
   41   1HH1  ARG   7          1HH1      ARG   7   3.319  -4.920   6.395
   42   2HH1  ARG   7          2HH1      ARG   7   3.460  -4.678   8.086
   43   1HH2  ARG   7          1HH2      ARG   7   6.673  -6.212   8.347
   44   2HH2  ARG   7          2HH2      ARG   7   5.364  -5.468   9.220
   45    H    CYS   8           H        CYS   8   7.332  -8.631   0.842
   46    HA   CYS   8           HA       CYS   8  10.259  -8.240   0.668
   47   1HB   CYS   8          2HB       CYS   8   9.420 -10.912   1.544
   48   2HB   CYS   8          1HB       CYS   8  10.706  -9.891   2.135
   49    H    ALA   9           H        ALA   9   7.848  -8.638  -1.191
   50    HA   ALA   9           HA       ALA   9   8.409 -10.995  -2.767
   51   1HB   ALA   9          1HB       ALA   9   6.169  -9.919  -2.737
   52   2HB   ALA   9          2HB       ALA   9   6.864  -8.496  -3.561
   53   3HB   ALA   9          3HB       ALA   9   6.826 -10.070  -4.370
   54    H    TRP  10           H        TRP  10  10.376  -8.258  -2.364
   55    HA   TRP  10           HA       TRP  10  11.482  -7.758  -4.846
   56   1HB   TRP  10          1HB       TRP  10  12.584  -8.191  -2.031
   57   2HB   TRP  10          2HB       TRP  10  13.554  -7.661  -3.375
   58    HD1  TRP  10           HD1      TRP  10  10.409  -5.755  -3.576
   59    HE1  TRP  10           HE1      TRP  10  10.774  -3.386  -2.616
   60    HE3  TRP  10           HE3      TRP  10  14.860  -6.533  -1.165
   61    HZ2  TRP  10           HZ2      TRP  10  12.779  -2.014  -1.069
   62    HZ3  TRP  10           HZ3      TRP  10  16.017  -4.659  -0.038
   63    HH2  TRP  10           HH2      TRP  10  14.998  -2.397   0.000
   64    H    ARG  11           H        ARG  11  12.176 -10.365  -2.487
   65    HA   ARG  11           HA       ARG  11  13.333 -12.254  -4.339
   66   1HB   ARG  11          1HB       ARG  11  15.691 -11.963  -3.587
   67   2HB   ARG  11          2HB       ARG  11  15.108 -10.679  -4.614
   68   1HG   ARG  11          1HG       ARG  11  15.421  -9.082  -3.066
   69   2HG   ARG  11          2HG       ARG  11  14.725 -10.019  -1.749
   70   1HD   ARG  11          1HD       ARG  11  17.499 -10.618  -2.826
   71   2HD   ARG  11          2HD       ARG  11  17.215  -9.360  -1.626
   72    HE   ARG  11           HE       ARG  11  15.979 -11.804  -0.787
   73   1HH1  ARG  11          1HH1      ARG  11  16.893 -12.694   1.270
   74   2HH1  ARG  11          2HH1      ARG  11  18.496 -12.194   1.682
   75   1HH2  ARG  11          1HH2      ARG  11  19.294 -10.604  -1.318
   76   2HH2  ARG  11          2HH2      ARG  11  19.894 -11.279   0.163
   77    H    CYS  12           H        CYS  12  11.451 -12.793  -2.585
   78    HA   CYS  12           HA       CYS  12  10.751 -13.693  -0.701
   79   1HB   CYS  12          1HB       CYS  12  12.195 -15.415  -2.082
   80   2HB   CYS  12          2HB       CYS  12  13.206 -15.423  -0.664

  No H/Q in entry =          80
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   4.920 -16.305   3.297
    2    H2   GLY   1           H2       GLY   1   3.506 -15.920   4.051
    3    H3   GLY   1           H3       GLY   1   3.777 -15.460   2.484
    4   1HA   GLY   1          2HA       GLY   1   5.229 -14.482   4.834
    5   2HA   GLY   1          1HA       GLY   1   4.044 -13.566   3.885
    6    H    CYS   2           H        CYS   2   6.214 -12.310   4.010
    7    HA   CYS   2           HA       CYS   2   7.409 -11.047   2.669
    8   1HB   CYS   2          1HB       CYS   2   8.885 -13.246   3.805
    9   2HB   CYS   2          2HB       CYS   2   9.697 -12.627   2.376
   10    H    CYS   3           H        CYS   3   8.174 -14.177   1.030
   11    HA   CYS   3           HA       CYS   3   8.595 -13.048  -1.549
   12   1HB   CYS   3          1HB       CYS   3   9.053 -15.457  -0.864
   13   2HB   CYS   3          2HB       CYS   3   7.330 -15.743  -0.840
   14    H    SER   4           H        SER   4   5.584 -14.432  -0.052
   15    HA   SER   4           HA       SER   4   3.948 -13.519  -2.288
   16   1HB   SER   4          1HB       SER   4   2.162 -14.625  -0.784
   17   2HB   SER   4          2HB       SER   4   3.354 -15.603  -1.637
   18    HG   SER   4           HG       SER   4   3.279 -16.399   0.309
   19    H    ASN   5           H        ASN   5   5.222 -11.723   0.140
   20    HA   ASN   5           HA       ASN   5   2.677 -10.322   0.818
   21   1HB   ASN   5          1HB       ASN   5   3.874 -11.336   2.739
   22   2HB   ASN   5          2HB       ASN   5   5.297 -10.349   2.347
   23   2HD2  ASN   5          2HD2      ASN   5   2.069 -10.356   3.736
   24   1HD2  ASN   5          1HD2      ASN   5   2.075  -8.685   4.259
   25    HA   PRO   6           HA       PRO   6   4.613  -7.233  -1.722
   26   1HB   PRO   6          1HB       PRO   6   2.945  -5.085  -1.453
   27   2HB   PRO   6          2HB       PRO   6   2.432  -6.614  -2.214
   28   1HG   PRO   6          2HG       PRO   6   2.026  -5.774   0.674
   29   2HG   PRO   6          1HG       PRO   6   0.794  -6.356  -0.495
   30   1HD   PRO   6          1HD       PRO   6   2.003  -8.025   1.295
   31   2HD   PRO   6          2HD       PRO   6   1.582  -8.589  -0.345
   32    H    ARG   7           H        ARG   7   5.701  -7.597   0.946
   33    HA   ARG   7           HA       ARG   7   6.995  -4.942   1.227
   34   1HB   ARG   7          1HB       ARG   7   5.686  -5.523   3.246
   35   2HB   ARG   7          2HB       ARG   7   6.735  -6.929   3.504
   36   1HG   ARG   7          1HG       ARG   7   8.638  -5.573   3.962
   37   2HG   ARG   7          2HG       ARG   7   7.961  -4.190   3.105
   38   1HD   ARG   7          1HD       ARG   7   7.801  -3.483   5.228
   39   2HD   ARG   7          2HD       ARG   7   6.171  -4.108   4.970
   40    HE   ARG   7           HE       ARG   7   7.829  -6.161   6.086
   41   1HH1  ARG   7          1HH1      ARG   7   7.939  -6.529   8.394
   42   2HH1  ARG   7          2HH1      ARG   7   7.350  -5.318   9.474
   43   1HH2  ARG   7          1HH2      ARG   7   6.370  -3.049   6.984
   44   2HH2  ARG   7          2HH2      ARG   7   6.078  -3.485   8.635
   45    H    CYS   8           H        CYS   8   7.470  -8.378   0.511
   46    HA   CYS   8           HA       CYS   8  10.358  -7.781   0.267
   47   1HB   CYS   8          1HB       CYS   8   9.816 -10.504   1.188
   48   2HB   CYS   8          2HB       CYS   8  11.105  -9.414   1.618
   49    H    ALA   9           H        ALA   9   7.992  -8.152  -1.633
   50    HA   ALA   9           HA       ALA   9   8.032 -10.673  -2.726
   51   1HB   ALA   9          1HB       ALA   9   6.347  -8.945  -3.227
   52   2HB   ALA   9          3HB       ALA   9   7.538  -8.084  -4.242
   53   3HB   ALA   9          2HB       ALA   9   6.976  -9.701  -4.704
   54    H    TRP  10           H        TRP  10  10.530  -8.260  -3.221
   55    HA   TRP  10           HA       TRP  10  11.974  -9.403  -5.393
   56   1HB   TRP  10          1HB       TRP  10  12.536  -7.701  -2.948
   57   2HB   TRP  10          2HB       TRP  10  13.841  -8.360  -3.896
   58    HD1  TRP  10           HD1      TRP  10  11.091  -7.351  -6.178
   59    HE1  TRP  10           HE1      TRP  10  11.881  -5.332  -7.533
   60    HE3  TRP  10           HE3      TRP  10  14.988  -5.897  -3.235
   61    HZ2  TRP  10           HZ2      TRP  10  13.960  -3.303  -7.347
   62    HZ3  TRP  10           HZ3      TRP  10  16.404  -3.949  -3.864
   63    HH2  TRP  10           HH2      TRP  10  15.919  -2.682  -5.933
   64    H    ARG  11           H        ARG  11  12.888  -9.653  -1.920
   65    HA   ARG  11           HA       ARG  11  14.292 -12.095  -2.404
   66   1HB   ARG  11          1HB       ARG  11  14.921 -10.321  -0.730
   67   2HB   ARG  11          2HB       ARG  11  13.576 -10.846   0.278
   68   1HG   ARG  11          2HG       ARG  11  15.483 -12.000   1.137
   69   2HG   ARG  11          1HG       ARG  11  14.629 -13.198   0.172
   70   1HD   ARG  11          1HD       ARG  11  16.757 -13.553  -0.602
   71   2HD   ARG  11          2HD       ARG  11  16.243 -12.375  -1.781
   72    HE   ARG  11           HE       ARG  11  17.431 -10.638  -0.611
   73   1HH1  ARG  11          1HH1      ARG  11  19.558 -10.137   0.052
   74   2HH1  ARG  11          2HH1      ARG  11  20.477 -11.252   1.008
   75   1HH2  ARG  11          1HH2      ARG  11  18.025 -13.819   0.870
   76   2HH2  ARG  11          2HH2      ARG  11  19.658 -13.454   1.332
   77    H    CYS  12           H        CYS  12  12.730 -13.464  -3.303
   78    HA   CYS  12           HA       CYS  12  10.573 -14.445  -1.694
   79   1HB   CYS  12          1HB       CYS  12  10.810 -14.651  -4.222
   80   2HB   CYS  12          2HB       CYS  12  11.998 -15.924  -3.924

  No H/Q in entry =          80
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   8.562 -16.135   4.875
    2    H2   GLY   1           H2       GLY   1   7.107 -15.381   4.894
    3    H3   GLY   1           H3       GLY   1   7.169 -17.025   4.840
    4   1HA   GLY   1          2HA       GLY   1   6.595 -16.184   2.698
    5   2HA   GLY   1          1HA       GLY   1   8.152 -17.000   2.682
    6    H    CYS   2           H        CYS   2   6.748 -13.831   3.171
    7    HA   CYS   2           HA       CYS   2   7.309 -11.734   2.724
    8   1HB   CYS   2          1HB       CYS   2   9.826 -12.922   3.379
    9   2HB   CYS   2          2HB       CYS   2  10.090 -11.790   2.078
   10    H    CYS   3           H        CYS   3   8.890 -13.936   0.334
   11    HA   CYS   3           HA       CYS   3   8.601 -12.406  -1.992
   12   1HB   CYS   3          1HB       CYS   3   9.523 -14.662  -1.823
   13   2HB   CYS   3          2HB       CYS   3   7.933 -15.341  -1.548
   14    H    SER   4           H        SER   4   6.237 -14.296  -0.194
   15    HA   SER   4           HA       SER   4   3.964 -13.820  -1.875
   16   1HB   SER   4          1HB       SER   4   3.042 -15.130   0.295
   17   2HB   SER   4          2HB       SER   4   3.935 -15.911  -1.004
   18    HG   SER   4           HG       SER   4   4.784 -15.230   1.598
   19    H    ASN   5           H        ASN   5   5.342 -11.374  -0.255
   20    HA   ASN   5           HA       ASN   5   2.707 -10.254   0.279
   21   1HB   ASN   5          1HB       ASN   5   3.678 -11.199   2.428
   22   2HB   ASN   5          2HB       ASN   5   4.980 -10.012   2.307
   23   2HD2  ASN   5          2HD2      ASN   5   1.397 -10.349   2.487
   24   1HD2  ASN   5          1HD2      ASN   5   1.101  -8.718   3.026
   25    HA   PRO   6           HA       PRO   6   4.923  -7.200  -1.937
   26   1HB   PRO   6          1HB       PRO   6   3.218  -5.010  -1.925
   27   2HB   PRO   6          2HB       PRO   6   2.862  -6.522  -2.804
   28   1HG   PRO   6          2HG       PRO   6   1.961  -5.721  -0.020
   29   2HG   PRO   6          1HG       PRO   6   0.960  -6.354  -1.363
   30   1HD   PRO   6          1HD       PRO   6   1.899  -7.931   0.637
   31   2HD   PRO   6          2HD       PRO   6   1.781  -8.571  -1.017
   32    H    ARG   7           H        ARG   7   5.233  -7.268   0.968
   33    HA   ARG   7           HA       ARG   7   6.467  -4.635   1.563
   34   1HB   ARG   7          1HB       ARG   7   5.276  -5.574   3.410
   35   2HB   ARG   7          2HB       ARG   7   6.061  -7.140   3.240
   36   1HG   ARG   7          1HG       ARG   7   7.908  -6.527   4.377
   37   2HG   ARG   7          2HG       ARG   7   7.971  -4.897   3.710
   38   1HD   ARG   7          1HD       ARG   7   5.799  -5.610   5.683
   39   2HD   ARG   7          2HD       ARG   7   7.443  -5.269   6.242
   40    HE   ARG   7           HE       ARG   7   6.791  -3.211   4.454
   41   1HH1  ARG   7          1HH1      ARG   7   6.739  -1.139   5.397
   42   2HH1  ARG   7          2HH1      ARG   7   6.176  -0.885   7.012
   43   1HH2  ARG   7          1HH2      ARG   7   5.396  -4.345   7.456
   44   2HH2  ARG   7          2HH2      ARG   7   5.542  -2.866   8.346
   45    H    CYS   8           H        CYS   8   7.304  -8.029   0.675
   46    HA   CYS   8           HA       CYS   8  10.168  -7.195   0.494
   47   1HB   CYS   8          1HB       CYS   8  10.196  -9.795   1.510
   48   2HB   CYS   8          2HB       CYS   8  10.630  -8.332   2.329
   49    H    ALA   9           H        ALA   9   7.935  -7.837  -1.460
   50    HA   ALA   9           HA       ALA   9   7.794 -10.490  -2.164
   51   1HB   ALA   9          1HB       ALA   9   6.134  -8.858  -2.770
   52   2HB   ALA   9          3HB       ALA   9   7.256  -8.052  -3.887
   53   3HB   ALA   9          2HB       ALA   9   6.674  -9.701  -4.219
   54    H    TRP  10           H        TRP  10  10.518  -8.536  -2.878
   55    HA   TRP  10           HA       TRP  10  11.579  -9.844  -5.184
   56   1HB   TRP  10          1HB       TRP  10  12.625  -8.309  -2.765
   57   2HB   TRP  10          2HB       TRP  10  13.680  -8.959  -3.998
   58    HD1  TRP  10           HD1      TRP  10  10.907  -7.781  -5.911
   59    HE1  TRP  10           HE1      TRP  10  11.268  -5.402  -6.829
   60    HE3  TRP  10           HE3      TRP  10  14.720  -6.362  -2.840
   61    HZ2  TRP  10           HZ2      TRP  10  12.949  -3.128  -6.177
   62    HZ3  TRP  10           HZ3      TRP  10  15.660  -4.075  -2.969
   63    HH2  TRP  10           HH2      TRP  10  14.787  -2.457  -4.655
   64    H    ARG  11           H        ARG  11  12.097 -10.277  -1.617
   65    HA   ARG  11           HA       ARG  11  14.145 -12.237  -2.029
   66   1HB   ARG  11          1HB       ARG  11  13.951 -10.643  -0.102
   67   2HB   ARG  11          2HB       ARG  11  12.575 -11.577   0.504
   68   1HG   ARG  11          1HG       ARG  11  14.153 -13.610   0.567
   69   2HG   ARG  11          2HG       ARG  11  15.462 -12.485   0.153
   70   1HD   ARG  11          1HD       ARG  11  14.698 -11.104   2.188
   71   2HD   ARG  11          2HD       ARG  11  13.716 -12.492   2.656
   72    HE   ARG  11           HE       ARG  11  16.535 -12.082   2.923
   73   1HH1  ARG  11          1HH1      ARG  11  17.967 -13.713   3.582
   74   2HH1  ARG  11          2HH1      ARG  11  17.358 -15.233   4.136
   75   1HH2  ARG  11          1HH2      ARG  11  14.096 -14.722   2.769
   76   2HH2  ARG  11          2HH2      ARG  11  15.155 -15.817   3.627
   77    H    CYS  12           H        CYS  12  13.629 -14.218  -2.934
   78    HA   CYS  12           HA       CYS  12  11.258 -15.643  -1.865
   79   1HB   CYS  12          1HB       CYS  12  10.854 -14.054  -3.914
   80   2HB   CYS  12          2HB       CYS  12  11.853 -15.187  -4.813

  No H/Q in entry =          80
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   8.807 -17.250   3.398
    2    H2   GLY   1           H2       GLY   1   8.109 -16.818   4.821
    3    H3   GLY   1           H3       GLY   1   7.630 -18.206   4.053
    4   1HA   GLY   1          2HA       GLY   1   6.085 -16.271   3.819
    5   2HA   GLY   1          1HA       GLY   1   6.598 -17.112   2.329
    6    H    CYS   2           H        CYS   2   6.135 -14.088   3.469
    7    HA   CYS   2           HA       CYS   2   6.846 -12.069   3.112
    8   1HB   CYS   2          1HB       CYS   2   9.166 -13.388   3.943
    9   2HB   CYS   2          2HB       CYS   2   9.667 -12.484   2.534
   10    H    CYS   3           H        CYS   3   8.312 -14.214   0.553
   11    HA   CYS   3           HA       CYS   3   7.949 -12.189  -1.512
   12   1HB   CYS   3          1HB       CYS   3   8.343 -15.184  -1.570
   13   2HB   CYS   3          2HB       CYS   3   7.672 -14.362  -2.966
   14    H    SER   4           H        SER   4   5.779 -14.262   0.303
   15    HA   SER   4           HA       SER   4   3.483 -14.039  -1.362
   16   1HB   SER   4          1HB       SER   4   2.670 -14.510   1.225
   17   2HB   SER   4          2HB       SER   4   3.045 -15.701   0.008
   18    HG   SER   4           HG       SER   4   4.133 -16.171   1.872
   19    H    ASN   5           H        ASN   5   5.126 -11.543   0.126
   20    HA   ASN   5           HA       ASN   5   2.657  -9.967   0.600
   21   1HB   ASN   5          1HB       ASN   5   3.496 -10.775   2.686
   22   2HB   ASN   5          2HB       ASN   5   5.142 -10.186   2.355
   23   2HD2  ASN   5          2HD2      ASN   5   4.249  -9.312   4.737
   24   1HD2  ASN   5          1HD2      ASN   5   3.433  -7.762   4.659
   25    HA   PRO   6           HA       PRO   6   5.175  -7.519  -2.136
   26   1HB   PRO   6          1HB       PRO   6   3.613  -5.215  -2.396
   27   2HB   PRO   6          2HB       PRO   6   3.300  -6.758  -3.239
   28   1HG   PRO   6          2HG       PRO   6   2.056  -5.729  -0.688
   29   2HG   PRO   6          1HG       PRO   6   1.258  -6.553  -2.064
   30   1HD   PRO   6          1HD       PRO   6   1.949  -7.835   0.252
   31   2HD   PRO   6          2HD       PRO   6   1.975  -8.692  -1.293
   32    H    ARG   7           H        ARG   7   5.159  -7.231   0.776
   33    HA   ARG   7           HA       ARG   7   6.752  -4.792   1.333
   34   1HB   ARG   7          1HB       ARG   7   5.204  -5.654   3.057
   35   2HB   ARG   7          2HB       ARG   7   6.056  -7.208   3.055
   36   1HG   ARG   7          1HG       ARG   7   8.072  -6.149   3.946
   37   2HG   ARG   7          2HG       ARG   7   7.281  -4.557   3.900
   38   1HD   ARG   7          1HD       ARG   7   5.648  -5.259   5.561
   39   2HD   ARG   7          2HD       ARG   7   6.194  -6.934   5.449
   40    HE   ARG   7           HE       ARG   7   8.255  -6.381   6.504
   41   1HH1  ARG   7          1HH1      ARG   7   9.219  -5.525   8.240
   42   2HH1  ARG   7          2HH1      ARG   7   8.655  -4.096   9.045
   43   1HH2  ARG   7          1HH2      ARG   7   6.061  -3.573   6.621
   44   2HH2  ARG   7          2HH2      ARG   7   6.720  -3.011   8.134
   45    H    CYS   8           H        CYS   8   7.241  -8.295   0.646
   46    HA   CYS   8           HA       CYS   8  10.165  -7.848   0.644
   47   1HB   CYS   8          1HB       CYS   8   9.777 -10.454   1.533
   48   2HB   CYS   8          2HB       CYS   8  10.505  -9.104   2.369
   49    H    ALA   9           H        ALA   9   7.989  -8.103  -1.444
   50    HA   ALA   9           HA       ALA   9   8.160 -10.565  -2.779
   51   1HB   ALA   9          1HB       ALA   9   6.396  -8.948  -3.160
   52   2HB   ALA   9          3HB       ALA   9   7.558  -7.788  -3.866
   53   3HB   ALA   9          2HB       ALA   9   7.196  -9.324  -4.680
   54    H    TRP  10           H        TRP  10  10.759  -8.211  -2.560
   55    HA   TRP  10           HA       TRP  10  11.979  -8.499  -5.058
   56   1HB   TRP  10          1HB       TRP  10  12.969  -8.051  -2.212
   57   2HB   TRP  10          2HB       TRP  10  13.978  -8.055  -3.617
   58    HD1  TRP  10           HD1      TRP  10  10.771  -6.288  -4.328
   59    HE1  TRP  10           HE1      TRP  10  11.095  -3.760  -4.282
   60    HE3  TRP  10           HE3      TRP  10  15.492  -6.153  -2.413
   61    HZ2  TRP  10           HZ2      TRP  10  13.187  -1.885  -3.468
   62    HZ3  TRP  10           HZ3      TRP  10  16.679  -3.989  -2.106
   63    HH2  TRP  10           HH2      TRP  10  15.517  -1.852  -2.618
   64    H    ARG  11           H        ARG  11  12.262 -10.380  -1.994
   65    HA   ARG  11           HA       ARG  11  13.264 -12.763  -3.283
   66   1HB   ARG  11          1HB       ARG  11  15.108 -10.625  -3.143
   67   2HB   ARG  11          2HB       ARG  11  15.451 -11.497  -1.678
   68   1HG   ARG  11          2HG       ARG  11  16.735 -12.880  -2.925
   69   2HG   ARG  11          1HG       ARG  11  15.257 -13.535  -3.600
   70   1HD   ARG  11          2HD       ARG  11  16.282 -12.940  -5.562
   71   2HD   ARG  11          1HD       ARG  11  15.455 -11.431  -5.248
   72    HE   ARG  11           HE       ARG  11  17.469 -10.386  -4.930
   73   1HH1  ARG  11          1HH1      ARG  11  19.741 -10.204  -5.262
   74   2HH1  ARG  11          2HH1      ARG  11  20.733 -11.624  -5.227
   75   1HH2  ARG  11          1HH2      ARG  11  18.055 -13.911  -4.878
   76   2HH2  ARG  11          2HH2      ARG  11  19.695 -13.724  -5.394
   77    H    CYS  12           H        CYS  12  11.409 -11.903  -1.127
   78    HA   CYS  12           HA       CYS  12  10.515 -12.892   0.570
   79   1HB   CYS  12          2HB       CYS  12  11.763 -15.481   0.371
   80   2HB   CYS  12          1HB       CYS  12  10.096 -15.012   0.203

  No H/Q in entry =          80
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   4.839 -15.738   6.551
    2    H2   GLY   1           H2       GLY   1   5.216 -17.344   6.444
    3    H3   GLY   1           H3       GLY   1   6.333 -16.265   6.993
    4   1HA   GLY   1          2HA       GLY   1   5.268 -16.449   4.270
    5   2HA   GLY   1          1HA       GLY   1   6.920 -16.827   4.798
    6    H    CYS   2           H        CYS   2   7.071 -15.169   2.882
    7    HA   CYS   2           HA       CYS   2   6.176 -12.507   3.440
    8   1HB   CYS   2          1HB       CYS   2   8.596 -12.786   4.503
    9   2HB   CYS   2          2HB       CYS   2   9.119 -12.526   2.843
   10    H    CYS   3           H        CYS   3   7.542 -14.910   1.221
   11    HA   CYS   3           HA       CYS   3   7.811 -13.202  -1.046
   12   1HB   CYS   3          1HB       CYS   3   8.728 -15.434  -0.908
   13   2HB   CYS   3          2HB       CYS   3   7.124 -16.153  -0.825
   14    H    SER   4           H        SER   4   4.888 -14.580   0.446
   15    HA   SER   4           HA       SER   4   3.115 -13.610  -1.663
   16   1HB   SER   4          1HB       SER   4   1.451 -14.474   0.194
   17   2HB   SER   4          2HB       SER   4   2.385 -15.601  -0.796
   18    HG   SER   4           HG       SER   4   2.611 -16.253   1.299
   19    H    ASN   5           H        ASN   5   4.863 -11.864   0.507
   20    HA   ASN   5           HA       ASN   5   2.628 -10.158   1.443
   21   1HB   ASN   5          1HB       ASN   5   4.127 -11.131   3.147
   22   2HB   ASN   5          2HB       ASN   5   5.497 -10.263   2.425
   23   2HD2  ASN   5          2HD2      ASN   5   4.061 -10.099   5.136
   24   1HD2  ASN   5          1HD2      ASN   5   3.652  -8.398   5.303
   25    HA   PRO   6           HA       PRO   6   4.238  -7.515  -1.855
   26   1HB   PRO   6          1HB       PRO   6   2.449  -5.481  -1.749
   27   2HB   PRO   6          2HB       PRO   6   1.990  -7.140  -2.211
   28   1HG   PRO   6          2HG       PRO   6   1.760  -5.867   0.535
   29   2HG   PRO   6          1HG       PRO   6   0.482  -6.701  -0.406
   30   1HD   PRO   6          1HD       PRO   6   1.966  -7.969   1.491
   31   2HD   PRO   6          2HD       PRO   6   1.426  -8.827   0.025
   32    H    ARG   7           H        ARG   7   5.702  -7.500   0.598
   33    HA   ARG   7           HA       ARG   7   6.834  -4.771   0.442
   34   1HB   ARG   7          1HB       ARG   7   5.482  -5.097   2.523
   35   2HB   ARG   7          2HB       ARG   7   6.566  -6.405   3.008
   36   1HG   ARG   7          1HG       ARG   7   8.407  -4.868   3.242
   37   2HG   ARG   7          2HG       ARG   7   7.514  -3.566   2.442
   38   1HD   ARG   7          1HD       ARG   7   6.835  -4.829   5.136
   39   2HD   ARG   7          2HD       ARG   7   7.699  -3.307   4.924
   40    HE   ARG   7           HE       ARG   7   4.868  -3.742   4.856
   41   1HH1  ARG   7          1HH1      ARG   7   3.401  -2.032   4.301
   42   2HH1  ARG   7          2HH1      ARG   7   3.998  -0.607   3.538
   43   1HH2  ARG   7          1HH2      ARG   7   7.399  -1.575   3.476
   44   2HH2  ARG   7          2HH2      ARG   7   6.264  -0.305   3.203
   45    H    CYS   8           H        CYS   8   7.263  -7.900  -0.418
   46    HA   CYS   8           HA       CYS   8  10.081  -8.111   0.479
   47   1HB   CYS   8          1HB       CYS   8   7.662  -9.682   1.097
   48   2HB   CYS   8          2HB       CYS   8   8.984 -10.681   0.528
   49    H    ALA   9           H        ALA   9   8.612  -7.688  -2.191
   50    HA   ALA   9           HA       ALA   9   9.152  -9.936  -3.865
   51   1HB   ALA   9          1HB       ALA   9   7.655  -8.134  -4.622
   52   2HB   ALA   9          3HB       ALA   9   8.973  -8.315  -5.768
   53   3HB   ALA   9          2HB       ALA   9   8.985  -6.978  -4.604
   54    H    TRP  10           H        TRP  10  11.436  -7.689  -2.497
   55    HA   TRP  10           HA       TRP  10  13.563  -7.694  -4.279
   56   1HB   TRP  10          1HB       TRP  10  13.161  -7.683  -1.287
   57   2HB   TRP  10          2HB       TRP  10  14.765  -7.858  -1.925
   58    HD1  TRP  10           HD1      TRP  10  12.972  -5.512  -4.132
   59    HE1  TRP  10           HE1      TRP  10  13.775  -3.140  -3.690
   60    HE3  TRP  10           HE3      TRP  10  15.342  -6.262   0.352
   61    HZ2  TRP  10           HZ2      TRP  10  15.047  -1.667  -1.548
   62    HZ3  TRP  10           HZ3      TRP  10  16.313  -4.328   1.578
   63    HH2  TRP  10           HH2      TRP  10  16.169  -2.038   0.644
   64    H    ARG  11           H        ARG  11  12.298 -10.465  -2.417
   65    HA   ARG  11           HA       ARG  11  13.984 -12.363  -3.789
   66   1HB   ARG  11          1HB       ARG  11  15.079 -11.187  -1.338
   67   2HB   ARG  11          2HB       ARG  11  14.581 -12.815  -0.977
   68   1HG   ARG  11          1HG       ARG  11  16.830 -12.986  -1.559
   69   2HG   ARG  11          2HG       ARG  11  15.959 -13.639  -2.951
   70   1HD   ARG  11          1HD       ARG  11  16.319 -11.653  -4.217
   71   2HD   ARG  11          2HD       ARG  11  16.826 -10.735  -2.779
   72    HE   ARG  11           HE       ARG  11  18.619 -12.907  -3.326
   73   1HH1  ARG  11          1HH1      ARG  11  20.622 -12.437  -4.467
   74   2HH1  ARG  11          2HH1      ARG  11  20.905 -10.823  -5.059
   75   1HH2  ARG  11          1HH2      ARG  11  17.756  -9.528  -4.202
   76   2HH2  ARG  11          2HH2      ARG  11  19.191  -9.257  -5.113
   77    H    CYS  12           H        CYS  12  12.449 -13.903  -4.007
   78    HA   CYS  12           HA       CYS  12  10.488 -14.542  -1.909
   79   1HB   CYS  12          1HB       CYS  12  10.206 -14.847  -4.477
   80   2HB   CYS  12          2HB       CYS  12  11.350 -16.173  -4.317

  No H/Q in entry =          80
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   4.357 -15.541   4.801
    2    H2   GLY   1           H2       GLY   1   4.575 -17.131   5.180
    3    H3   GLY   1           H3       GLY   1   5.297 -15.956   6.092
    4   1HA   GLY   1          2HA       GLY   1   5.905 -16.600   3.304
    5   2HA   GLY   1          1HA       GLY   1   6.926 -16.962   4.717
    6    H    CYS   2           H        CYS   2   7.109 -15.058   2.221
    7    HA   CYS   2           HA       CYS   2   6.790 -12.427   3.409
    8   1HB   CYS   2          1HB       CYS   2   9.282 -13.544   3.803
    9   2HB   CYS   2          2HB       CYS   2   9.524 -12.716   2.276
   10    H    CYS   3           H        CYS   3   7.854 -14.391   0.520
   11    HA   CYS   3           HA       CYS   3   7.288 -12.187  -1.316
   12   1HB   CYS   3          1HB       CYS   3   7.681 -15.172  -1.716
   13   2HB   CYS   3          2HB       CYS   3   7.151 -14.090  -2.994
   14    H    SER   4           H        SER   4   5.360 -14.423   0.514
   15    HA   SER   4           HA       SER   4   2.905 -14.270  -0.882
   16   1HB   SER   4          1HB       SER   4   2.221 -14.766   1.656
   17   2HB   SER   4          2HB       SER   4   3.051 -15.969   0.665
   18    HG   SER   4           HG       SER   4   4.057 -14.421   2.792
   19    H    ASN   5           H        ASN   5   4.688 -11.700   0.294
   20    HA   ASN   5           HA       ASN   5   2.277 -10.035   0.755
   21   1HB   ASN   5          1HB       ASN   5   3.330 -10.784   2.931
   22   2HB   ASN   5          2HB       ASN   5   4.837 -10.018   2.426
   23   2HD2  ASN   5          2HD2      ASN   5   1.450  -9.416   3.379
   24   1HD2  ASN   5          1HD2      ASN   5   1.635  -7.686   3.565
   25    HA   PRO   6           HA       PRO   6   4.581  -7.725  -2.093
   26   1HB   PRO   6          1HB       PRO   6   3.478  -5.125  -1.993
   27   2HB   PRO   6          2HB       PRO   6   2.702  -6.519  -2.792
   28   1HG   PRO   6          2HG       PRO   6   2.258  -5.439  -0.004
   29   2HG   PRO   6          1HG       PRO   6   1.035  -6.021  -1.173
   30   1HD   PRO   6          1HD       PRO   6   1.923  -7.526   0.902
   31   2HD   PRO   6          2HD       PRO   6   1.492  -8.284  -0.640
   32    H    ARG   7           H        ARG   7   5.041  -7.206   0.762
   33    HA   ARG   7           HA       ARG   7   6.848  -4.864   0.825
   34   1HB   ARG   7          1HB       ARG   7   5.541  -5.399   2.811
   35   2HB   ARG   7          2HB       ARG   7   6.424  -6.923   3.033
   36   1HG   ARG   7          1HG       ARG   7   8.408  -5.830   3.664
   37   2HG   ARG   7          2HG       ARG   7   7.954  -4.325   2.857
   38   1HD   ARG   7          1HD       ARG   7   7.841  -3.906   5.163
   39   2HD   ARG   7          2HD       ARG   7   6.180  -3.964   4.565
   40    HE   ARG   7           HE       ARG   7   7.042  -6.526   5.589
   41   1HH1  ARG   7          1HH1      ARG   7   6.280  -7.236   7.622
   42   2HH1  ARG   7          2HH1      ARG   7   5.595  -6.121   8.758
   43   1HH2  ARG   7          1HH2      ARG   7   6.032  -3.288   6.673
   44   2HH2  ARG   7          2HH2      ARG   7   5.496  -3.805   8.227
   45    H    CYS   8           H        CYS   8   7.308  -8.412   0.684
   46    HA   CYS   8           HA       CYS   8  10.235  -7.967   0.732
   47   1HB   CYS   8          1HB       CYS   8   9.278 -10.708   0.977
   48   2HB   CYS   8          2HB       CYS   8  10.533  -9.849   1.859
   49    H    ALA   9           H        ALA   9   8.327  -7.861  -1.655
   50    HA   ALA   9           HA       ALA   9   8.553 -10.043  -3.322
   51   1HB   ALA   9          1HB       ALA   9   7.095  -8.090  -3.739
   52   2HB   ALA   9          3HB       ALA   9   8.523  -7.107  -4.151
   53   3HB   ALA   9          2HB       ALA   9   8.059  -8.476  -5.173
   54    H    TRP  10           H        TRP  10  11.152  -7.832  -2.589
   55    HA   TRP  10           HA       TRP  10  12.843  -7.949  -4.747
   56   1HB   TRP  10          1HB       TRP  10  13.190  -7.785  -1.716
   57   2HB   TRP  10          2HB       TRP  10  14.520  -7.670  -2.832
   58    HD1  TRP  10           HD1      TRP  10  11.567  -5.894  -4.243
   59    HE1  TRP  10           HE1      TRP  10  12.021  -3.394  -4.230
   60    HE3  TRP  10           HE3      TRP  10  15.551  -5.795  -1.015
   61    HZ2  TRP  10           HZ2      TRP  10  14.059  -1.622  -3.259
   62    HZ3  TRP  10           HZ3      TRP  10  16.779  -3.672  -0.628
   63    HH2  TRP  10           HH2      TRP  10  16.073  -1.593  -1.774
   64    H    ARG  11           H        ARG  11  12.537 -10.350  -2.116
   65    HA   ARG  11           HA       ARG  11  13.634 -12.470  -3.685
   66   1HB   ARG  11          1HB       ARG  11  15.717 -10.841  -2.976
   67   2HB   ARG  11          2HB       ARG  11  15.552 -11.684  -1.452
   68   1HG   ARG  11          1HG       ARG  11  15.771 -13.871  -2.858
   69   2HG   ARG  11          2HG       ARG  11  16.229 -12.828  -4.189
   70   1HD   ARG  11          1HD       ARG  11  17.622 -12.822  -1.483
   71   2HD   ARG  11          2HD       ARG  11  18.115 -13.848  -2.840
   72    HE   ARG  11           HE       ARG  11  18.072 -11.303  -3.917
   73   1HH1  ARG  11          1HH1      ARG  11  20.052 -10.107  -4.208
   74   2HH1  ARG  11          2HH1      ARG  11  21.490 -10.668  -3.415
   75   1HH2  ARG  11          1HH2      ARG  11  19.863 -13.024  -1.351
   76   2HH2  ARG  11          2HH2      ARG  11  21.398 -12.403  -1.861
   77    H    CYS  12           H        CYS  12  11.675 -11.703  -1.561
   78    HA   CYS  12           HA       CYS  12  10.838 -12.038   0.421
   79   1HB   CYS  12          2HB       CYS  12  11.421 -14.810   0.816
   80   2HB   CYS  12          1HB       CYS  12   9.890 -13.996   0.689

  No H/Q in entry =          80
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1   3.023 -14.196   5.401
    2    H2   GLY   1           H2       GLY   1   2.940 -15.793   5.818
    3    H3   GLY   1           H3       GLY   1   3.737 -14.714   6.778
    4   1HA   GLY   1          2HA       GLY   1   4.522 -15.584   4.091
    5   2HA   GLY   1          1HA       GLY   1   5.344 -15.976   5.614
    6    H    CYS   2           H        CYS   2   6.110 -14.374   3.076
    7    HA   CYS   2           HA       CYS   2   5.987 -11.594   3.885
    8   1HB   CYS   2          1HB       CYS   2   8.088 -12.336   5.015
    9   2HB   CYS   2          2HB       CYS   2   8.739 -12.844   3.463
   10    H    CYS   3           H        CYS   3   7.627 -13.877   1.611
   11    HA   CYS   3           HA       CYS   3   7.613 -12.271  -0.739
   12   1HB   CYS   3          1HB       CYS   3   8.905 -14.311  -0.202
   13   2HB   CYS   3          2HB       CYS   3   7.433 -15.273  -0.239
   14    H    SER   4           H        SER   4   5.055 -14.205   0.828
   15    HA   SER   4           HA       SER   4   3.198 -14.263  -1.336
   16   1HB   SER   4          1HB       SER   4   1.685 -14.803   0.740
   17   2HB   SER   4          2HB       SER   4   2.981 -15.926   0.325
   18    HG   SER   4           HG       SER   4   2.830 -15.311   2.585
   19    H    ASN   5           H        ASN   5   4.156 -11.811   0.733
   20    HA   ASN   5           HA       ASN   5   1.615 -10.256   0.540
   21   1HB   ASN   5          1HB       ASN   5   2.352 -10.901   2.843
   22   2HB   ASN   5          2HB       ASN   5   3.908 -10.122   2.563
   23   2HD2  ASN   5          2HD2      ASN   5   0.496  -9.606   3.365
   24   1HD2  ASN   5          1HD2      ASN   5   0.654  -7.864   3.553
   25    HA   PRO   6           HA       PRO   6   4.353  -7.658  -1.932
   26   1HB   PRO   6          1HB       PRO   6   3.220  -5.179  -1.849
   27   2HB   PRO   6          2HB       PRO   6   2.437  -6.583  -2.623
   28   1HG   PRO   6          2HG       PRO   6   1.955  -5.550   0.185
   29   2HG   PRO   6          1HG       PRO   6   0.744  -5.878  -1.098
   30   1HD   PRO   6          1HD       PRO   6   1.308  -7.694   0.812
   31   2HD   PRO   6          2HD       PRO   6   1.009  -8.245  -0.841
   32    H    ARG   7           H        ARG   7   5.768  -8.300   0.315
   33    HA   ARG   7           HA       ARG   7   7.065  -5.733   0.908
   34   1HB   ARG   7          1HB       ARG   7   5.293  -6.599   2.685
   35   2HB   ARG   7          2HB       ARG   7   6.588  -7.691   3.169
   36   1HG   ARG   7          1HG       ARG   7   8.025  -5.771   3.697
   37   2HG   ARG   7          2HG       ARG   7   6.912  -4.671   2.854
   38   1HD   ARG   7          1HD       ARG   7   5.141  -5.287   4.563
   39   2HD   ARG   7          2HD       ARG   7   6.386  -6.163   5.455
   40    HE   ARG   7           HE       ARG   7   7.143  -4.208   6.307
   41   1HH1  ARG   7          1HH1      ARG   7   6.780  -1.941   6.873
   42   2HH1  ARG   7          2HH1      ARG   7   6.178  -0.852   5.657
   43   1HH2  ARG   7          1HH2      ARG   7   5.152  -3.383   3.433
   44   2HH2  ARG   7          2HH2      ARG   7   4.975  -1.733   3.867
   45    H    CYS   8           H        CYS   8   7.627  -8.722  -0.432
   46    HA   CYS   8           HA       CYS   8  10.421  -8.713   0.558
   47   1HB   CYS   8          1HB       CYS   8   8.368 -10.810   0.868
   48   2HB   CYS   8          2HB       CYS   8   9.852 -11.397   0.151
   49    H    ALA   9           H        ALA   9   8.792  -8.020  -1.952
   50    HA   ALA   9           HA       ALA   9   9.567  -9.782  -3.984
   51   1HB   ALA   9          1HB       ALA   9   7.823  -7.981  -4.175
   52   2HB   ALA   9          3HB       ALA   9   8.946  -8.004  -5.545
   53   3HB   ALA   9          2HB       ALA   9   9.120  -6.773  -4.274
   54    H    TRP  10           H        TRP  10  11.789  -8.216  -2.097
   55    HA   TRP  10           HA       TRP  10  13.768  -7.170  -3.796
   56   1HB   TRP  10          1HB       TRP  10  13.794  -8.654  -1.091
   57   2HB   TRP  10          2HB       TRP  10  15.162  -7.971  -1.887
   58    HD1  TRP  10           HD1      TRP  10  12.106  -5.800  -1.862
   59    HE1  TRP  10           HE1      TRP  10  12.512  -3.799  -0.290
   60    HE3  TRP  10           HE3      TRP  10  16.370  -7.424   0.328
   61    HZ2  TRP  10           HZ2      TRP  10  14.455  -3.041   1.727
   62    HZ3  TRP  10           HZ3      TRP  10  17.509  -6.062   2.086
   63    HH2  TRP  10           HH2      TRP  10  16.559  -3.874   2.786
   64    H    ARG  11           H        ARG  11  12.757 -10.455  -2.835
   65    HA   ARG  11           HA       ARG  11  13.820 -11.940  -4.908
   66   1HB   ARG  11          1HB       ARG  11  15.912 -12.955  -3.936
   67   2HB   ARG  11          2HB       ARG  11  16.101 -11.321  -4.393
   68   1HG   ARG  11          1HG       ARG  11  15.368 -10.999  -1.709
   69   2HG   ARG  11          2HG       ARG  11  16.146 -12.572  -1.677
   70   1HD   ARG  11          1HD       ARG  11  17.721 -10.758  -1.173
   71   2HD   ARG  11          2HD       ARG  11  18.183 -11.587  -2.675
   72    HE   ARG  11           HE       ARG  11  16.515  -9.411  -3.344
   73   1HH1  ARG  11          1HH1      ARG  11  17.318  -7.536  -4.294
   74   2HH1  ARG  11          2HH1      ARG  11  19.005  -7.184  -4.269
   75   1HH2  ARG  11          1HH2      ARG  11  19.838 -10.021  -2.228
   76   2HH2  ARG  11          2HH2      ARG  11  20.507  -8.782  -3.256
   77    H    CYS  12           H        CYS  12  11.626 -11.918  -2.896
   78    HA   CYS  12           HA       CYS  12  10.354 -13.297  -1.738
   79   1HB   CYS  12          1HB       CYS  12  11.276 -14.920  -3.618
   80   2HB   CYS  12          2HB       CYS  12  12.085 -15.710  -2.279

  No H/Q in entry =          80
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   5.124 -15.925   3.372
    2    H2   GLY   1           H2       GLY   1   5.229 -17.096   4.532
    3    H3   GLY   1           H3       GLY   1   4.821 -15.560   4.952
    4   1HA   GLY   1          2HA       GLY   1   7.391 -16.527   3.984
    5   2HA   GLY   1          1HA       GLY   1   7.037 -15.873   5.589
    6    H    CYS   2           H        CYS   2   7.624 -15.157   2.234
    7    HA   CYS   2           HA       CYS   2   7.396 -12.251   2.660
    8   1HB   CYS   2          1HB       CYS   2   9.964 -13.724   2.624
    9   2HB   CYS   2          2HB       CYS   2   9.901 -12.416   1.451
   10    H    CYS   3           H        CYS   3   7.925 -14.944   0.242
   11    HA   CYS   3           HA       CYS   3   7.298 -13.313  -2.021
   12   1HB   CYS   3          1HB       CYS   3   6.544 -16.185  -1.349
   13   2HB   CYS   3          2HB       CYS   3   6.129 -15.397  -2.859
   14    H    SER   4           H        SER   4   5.265 -14.738   0.548
   15    HA   SER   4           HA       SER   4   2.761 -14.126  -0.530
   16   1HB   SER   4          1HB       SER   4   2.040 -14.494   1.845
   17   2HB   SER   4          2HB       SER   4   3.140 -15.740   1.240
   18    HG   SER   4           HG       SER   4   3.547 -13.706   3.125
   19    H    ASN   5           H        ASN   5   4.989 -11.717   0.103
   20    HA   ASN   5           HA       ASN   5   2.834  -9.806   0.671
   21   1HB   ASN   5          1HB       ASN   5   3.874 -10.667   2.843
   22   2HB   ASN   5          2HB       ASN   5   5.328  -9.768   2.397
   23   2HD2  ASN   5          2HD2      ASN   5   1.871  -9.500   3.194
   24   1HD2  ASN   5          1HD2      ASN   5   1.784  -7.752   3.088
   25    HA   PRO   6           HA       PRO   6   5.508  -7.851  -2.165
   26   1HB   PRO   6          1HB       PRO   6   4.099  -5.549  -2.850
   27   2HB   PRO   6          2HB       PRO   6   3.557  -7.185  -3.334
   28   1HG   PRO   6          2HG       PRO   6   2.657  -5.556  -0.954
   29   2HG   PRO   6          1HG       PRO   6   1.650  -6.480  -2.115
   30   1HD   PRO   6          1HD       PRO   6   2.421  -7.436   0.359
   31   2HD   PRO   6          2HD       PRO   6   2.138  -8.531  -1.016
   32    H    ARG   7           H        ARG   7   5.283  -6.980   0.629
   33    HA   ARG   7           HA       ARG   7   7.170  -4.677   0.656
   34   1HB   ARG   7          1HB       ARG   7   5.175  -4.819   2.337
   35   2HB   ARG   7          2HB       ARG   7   6.202  -5.962   3.224
   36   1HG   ARG   7          1HG       ARG   7   7.984  -4.209   3.341
   37   2HG   ARG   7          2HG       ARG   7   6.970  -3.138   2.389
   38   1HD   ARG   7          1HD       ARG   7   6.755  -2.415   4.589
   39   2HD   ARG   7          2HD       ARG   7   5.237  -3.264   4.235
   40    HE   ARG   7           HE       ARG   7   7.038  -5.120   5.377
   41   1HH1  ARG   7          1HH1      ARG   7   6.987  -5.672   7.594
   42   2HH1  ARG   7          2HH1      ARG   7   6.570  -4.490   8.784
   43   1HH2  ARG   7          1HH2      ARG   7   5.425  -2.104   6.369
   44   2HH2  ARG   7          2HH2      ARG   7   5.428  -2.504   8.064
   45    H    CYS   8           H        CYS   8   7.392  -7.791   0.004
   46    HA   CYS   8           HA       CYS   8  10.195  -7.965   0.801
   47   1HB   CYS   8          1HB       CYS   8   8.121  -9.430   2.114
   48   2HB   CYS   8          2HB       CYS   8   8.864 -10.531   0.982
   49    H    ALA   9           H        ALA   9   8.500  -7.414  -1.658
   50    HA   ALA   9           HA       ALA   9   7.871  -9.455  -3.271
   51   1HB   ALA   9          1HB       ALA   9   7.372  -7.118  -3.753
   52   2HB   ALA   9          3HB       ALA   9   9.084  -6.792  -4.104
   53   3HB   ALA   9          2HB       ALA   9   8.141  -7.869  -5.152
   54    H    TRP  10           H        TRP  10  11.010  -7.861  -3.615
   55    HA   TRP  10           HA       TRP  10  12.088  -9.734  -5.470
   56   1HB   TRP  10          1HB       TRP  10  13.148  -7.541  -3.646
   57   2HB   TRP  10          2HB       TRP  10  14.163  -8.430  -4.732
   58    HD1  TRP  10           HD1      TRP  10  11.071  -7.900  -6.581
   59    HE1  TRP  10           HE1      TRP  10  11.280  -5.912  -8.181
   60    HE3  TRP  10           HE3      TRP  10  15.299  -5.730  -4.666
   61    HZ2  TRP  10           HZ2      TRP  10  13.002  -3.646  -8.559
   62    HZ3  TRP  10           HZ3      TRP  10  16.204  -3.653  -5.681
   63    HH2  TRP  10           HH2      TRP  10  15.080  -2.634  -7.657
   64    H    ARG  11           H        ARG  11  12.229  -9.385  -1.980
   65    HA   ARG  11           HA       ARG  11  14.235 -11.380  -1.381
   66   1HB   ARG  11          1HB       ARG  11  13.803  -9.330  -0.097
   67   2HB   ARG  11          2HB       ARG  11  12.201  -9.909   0.351
   68   1HG   ARG  11          1HG       ARG  11  13.129 -11.616   1.753
   69   2HG   ARG  11          2HG       ARG  11  14.761 -11.377   1.081
   70   1HD   ARG  11          1HD       ARG  11  14.950  -9.219   2.173
   71   2HD   ARG  11          2HD       ARG  11  13.230  -9.211   2.565
   72    HE   ARG  11           HE       ARG  11  13.617 -10.373   4.439
   73   1HH1  ARG  11          1HH1      ARG  11  14.480 -11.917   5.781
   74   2HH1  ARG  11          2HH1      ARG  11  15.932 -12.795   5.356
   75   1HH2  ARG  11          1HH2      ARG  11  16.583 -10.683   2.558
   76   2HH2  ARG  11          2HH2      ARG  11  17.266 -11.957   3.508
   77    H    CYS  12           H        CYS  12  11.963 -12.209  -3.073
   78    HA   CYS  12           HA       CYS  12  10.237 -14.050  -1.755
   79   1HB   CYS  12          1HB       CYS  12  10.638 -12.983  -4.342
   80   2HB   CYS  12          2HB       CYS  12  11.136 -14.636  -4.517

  No H/Q in entry =          80
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1   5.284 -17.258   4.987
    2    H2   GLY   1           H2       GLY   1   6.020 -18.665   4.553
    3    H3   GLY   1           H3       GLY   1   6.813 -17.579   5.506
    4   1HA   GLY   1          2HA       GLY   1   6.100 -17.262   2.682
    5   2HA   GLY   1          1HA       GLY   1   7.730 -17.372   3.369
    6    H    CYS   2           H        CYS   2   7.581 -15.244   1.909
    7    HA   CYS   2           HA       CYS   2   6.576 -12.949   3.501
    8   1HB   CYS   2          1HB       CYS   2   9.004 -13.384   4.099
    9   2HB   CYS   2          2HB       CYS   2   9.407 -13.003   2.421
   10    H    CYS   3           H        CYS   3   7.738 -14.151   0.255
   11    HA   CYS   3           HA       CYS   3   7.134 -11.755  -1.157
   12   1HB   CYS   3          1HB       CYS   3   6.811 -14.651  -2.039
   13   2HB   CYS   3          2HB       CYS   3   6.687 -13.240  -3.072
   14    H    SER   4           H        SER   4   5.120 -14.223   0.253
   15    HA   SER   4           HA       SER   4   2.612 -13.802  -0.971
   16   1HB   SER   4          1HB       SER   4   2.054 -14.914   1.414
   17   2HB   SER   4          2HB       SER   4   2.806 -15.821   0.101
   18    HG   SER   4           HG       SER   4   3.822 -16.083   2.165
   19    H    ASN   5           H        ASN   5   4.344 -11.522   0.690
   20    HA   ASN   5           HA       ASN   5   1.958 -10.020   1.542
   21   1HB   ASN   5          1HB       ASN   5   3.255 -10.985   3.512
   22   2HB   ASN   5          2HB       ASN   5   4.679 -10.123   2.949
   23   2HD2  ASN   5          2HD2      ASN   5   4.977  -8.325   4.293
   24   1HD2  ASN   5          1HD2      ASN   5   3.640  -7.331   4.855
   25    HA   PRO   6           HA       PRO   6   4.190  -7.688  -1.575
   26   1HB   PRO   6          1HB       PRO   6   2.822  -5.317  -1.628
   27   2HB   PRO   6          2HB       PRO   6   2.146  -6.871  -2.177
   28   1HG   PRO   6          1HG       PRO   6   1.716  -5.498   0.473
   29   2HG   PRO   6          2HG       PRO   6   0.500  -6.270  -0.592
   30   1HD   PRO   6          1HD       PRO   6   1.632  -7.508   1.590
   31   2HD   PRO   6          2HD       PRO   6   1.094  -8.431   0.164
   32    H    ARG   7           H        ARG   7   6.020  -7.837  -0.015
   33    HA   ARG   7           HA       ARG   7   7.196  -5.211   0.640
   34   1HB   ARG   7          1HB       ARG   7   5.776  -5.862   2.544
   35   2HB   ARG   7          2HB       ARG   7   6.595  -7.418   2.663
   36   1HG   ARG   7          1HG       ARG   7   8.616  -6.437   3.410
   37   2HG   ARG   7          2HG       ARG   7   8.118  -4.804   2.935
   38   1HD   ARG   7          1HD       ARG   7   6.550  -4.667   4.730
   39   2HD   ARG   7          2HD       ARG   7   6.686  -6.386   5.108
   40    HE   ARG   7           HE       ARG   7   8.456  -4.217   5.873
   41   1HH1  ARG   7          1HH1      ARG   7  10.510  -4.636   6.746
   42   2HH1  ARG   7          2HH1      ARG   7  11.032  -6.236   7.162
   43   1HH2  ARG   7          1HH2      ARG   7   8.160  -7.748   5.601
   44   2HH2  ARG   7          2HH2      ARG   7   9.689  -8.068   6.377
   45    H    CYS   8           H        CYS   8   7.612  -8.359  -0.609
   46    HA   CYS   8           HA       CYS   8  10.476  -8.557   0.149
   47   1HB   CYS   8          1HB       CYS   8   8.121 -10.158   0.952
   48   2HB   CYS   8          2HB       CYS   8   9.396 -11.141   0.264
   49    H    ALA   9           H        ALA   9   8.799  -7.957  -2.339
   50    HA   ALA   9           HA       ALA   9   8.584 -10.173  -3.978
   51   1HB   ALA   9          1HB       ALA   9   7.456  -8.002  -4.373
   52   2HB   ALA   9          3HB       ALA   9   9.008  -7.276  -4.840
   53   3HB   ALA   9          2HB       ALA   9   8.289  -8.570  -5.830
   54    H    TRP  10           H        TRP  10  11.382  -8.052  -3.631
   55    HA   TRP  10           HA       TRP  10  13.045  -9.448  -5.525
   56   1HB   TRP  10          1HB       TRP  10  13.329  -7.235  -3.496
   57   2HB   TRP  10          2HB       TRP  10  14.723  -8.007  -4.212
   58    HD1  TRP  10           HD1      TRP  10  11.996  -7.762  -6.709
   59    HE1  TRP  10           HE1      TRP  10  12.468  -5.891  -8.385
   60    HE3  TRP  10           HE3      TRP  10  15.749  -5.344  -4.192
   61    HZ2  TRP  10           HZ2      TRP  10  14.358  -3.712  -8.689
   62    HZ3  TRP  10           HZ3      TRP  10  16.807  -3.331  -5.175
   63    HH2  TRP  10           HH2      TRP  10  16.142  -2.520  -7.421
   64    H    ARG  11           H        ARG  11  14.440  -9.014  -2.349
   65    HA   ARG  11           HA       ARG  11  15.043 -11.825  -2.177
   66   1HB   ARG  11          1HB       ARG  11  16.483  -9.921  -1.309
   67   2HB   ARG  11          2HB       ARG  11  15.359  -9.798   0.051
   68   1HG   ARG  11          1HG       ARG  11  15.788 -12.333   0.406
   69   2HG   ARG  11          2HG       ARG  11  17.109 -12.168  -0.758
   70   1HD   ARG  11          2HD       ARG  11  16.771 -10.730   1.898
   71   2HD   ARG  11          1HD       ARG  11  17.948 -12.008   1.527
   72    HE   ARG  11           HE       ARG  11  18.665 -10.180  -0.287
   73   1HH1  ARG  11          1HH1      ARG  11  19.930  -8.379  -0.111
   74   2HH1  ARG  11          2HH1      ARG  11  20.073  -7.485   1.383
   75   1HH2  ARG  11          1HH2      ARG  11  18.167  -9.913   3.215
   76   2HH2  ARG  11          2HH2      ARG  11  19.065  -8.430   3.367
   77    H    CYS  12           H        CYS  12  13.248 -13.082  -2.035
   78    HA   CYS  12           HA       CYS  12  11.008 -12.675  -0.376
   79   1HB   CYS  12          1HB       CYS  12  11.661 -14.433  -2.330
   80   2HB   CYS  12          2HB       CYS  12  12.030 -15.443  -0.938

  No H/Q in entry =          80
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1   3.674 -16.263   3.380
    2    H2   GLY   1           H2       GLY   1   3.700 -17.149   4.762
    3    H3   GLY   1           H3       GLY   1   3.872 -15.506   4.838
    4   1HA   GLY   1          2HA       GLY   1   5.744 -17.436   3.688
    5   2HA   GLY   1          1HA       GLY   1   6.009 -16.454   5.137
    6    H    CYS   2           H        CYS   2   6.113 -14.169   4.850
    7    HA   CYS   2           HA       CYS   2   6.575 -12.184   3.930
    8   1HB   CYS   2          1HB       CYS   2   8.627 -13.551   4.691
    9   2HB   CYS   2          2HB       CYS   2   9.105 -13.528   2.998
   10    H    CYS   3           H        CYS   3   7.946 -14.193   1.179
   11    HA   CYS   3           HA       CYS   3   7.467 -12.376  -0.867
   12   1HB   CYS   3          1HB       CYS   3   8.785 -14.482  -0.835
   13   2HB   CYS   3          2HB       CYS   3   7.295 -15.412  -0.810
   14    H    SER   4           H        SER   4   5.037 -14.385   0.855
   15    HA   SER   4           HA       SER   4   3.007 -14.195  -1.137
   16   1HB   SER   4          1HB       SER   4   1.537 -14.639   0.910
   17   2HB   SER   4          2HB       SER   4   2.817 -15.814   0.580
   18    HG   SER   4           HG       SER   4   2.614 -13.873   2.612
   19    H    ASN   5           H        ASN   5   4.430 -11.786   0.704
   20    HA   ASN   5           HA       ASN   5   2.080  -9.975   0.611
   21   1HB   ASN   5          1HB       ASN   5   3.251 -10.574   2.828
   22   2HB   ASN   5          2HB       ASN   5   4.599  -9.591   2.261
   23   2HD2  ASN   5          2HD2      ASN   5   1.006  -9.481   2.763
   24   1HD2  ASN   5          1HD2      ASN   5   0.985  -7.799   3.239
   25    HA   PRO   6           HA       PRO   6   4.612  -7.391  -2.147
   26   1HB   PRO   6          1HB       PRO   6   3.171  -5.072  -2.124
   27   2HB   PRO   6          2HB       PRO   6   2.654  -6.534  -2.989
   28   1HG   PRO   6          2HG       PRO   6   1.681  -5.513  -0.334
   29   2HG   PRO   6          1HG       PRO   6   0.754  -6.265  -1.670
   30   1HD   PRO   6          1HD       PRO   6   1.658  -7.554   0.618
   31   2HD   PRO   6          2HD       PRO   6   1.232  -8.413  -0.870
   32    H    ARG   7           H        ARG   7   5.920  -7.864  -0.021
   33    HA   ARG   7           HA       ARG   7   7.106  -5.277   0.618
   34   1HB   ARG   7          1HB       ARG   7   5.509  -5.868   2.496
   35   2HB   ARG   7          2HB       ARG   7   6.518  -7.281   2.856
   36   1HG   ARG   7          1HG       ARG   7   8.435  -5.836   3.347
   37   2HG   ARG   7          2HG       ARG   7   7.560  -4.427   2.718
   38   1HD   ARG   7          1HD       ARG   7   7.493  -4.223   5.035
   39   2HD   ARG   7          2HD       ARG   7   5.865  -4.738   4.552
   40    HE   ARG   7           HE       ARG   7   6.994  -7.115   5.181
   41   1HH1  ARG   7          1HH1      ARG   7   7.512  -8.018   7.210
   42   2HH1  ARG   7          2HH1      ARG   7   7.133  -7.140   8.665
   43   1HH2  ARG   7          1HH2      ARG   7   6.528  -4.073   6.953
   44   2HH2  ARG   7          2HH2      ARG   7   7.006  -4.750   8.487
   45    H    CYS   8           H        CYS   8   7.296  -8.765   0.236
   46    HA   CYS   8           HA       CYS   8  10.196  -8.712   0.745
   47   1HB   CYS   8          1HB       CYS   8   8.154 -10.349   1.696
   48   2HB   CYS   8          2HB       CYS   8   8.950 -11.346   0.479
   49    H    ALA   9           H        ALA   9   8.669  -8.046  -1.838
   50    HA   ALA   9           HA       ALA   9   9.456 -10.124  -3.707
   51   1HB   ALA   9          1HB       ALA   9   7.483  -8.600  -4.040
   52   2HB   ALA   9          3HB       ALA   9   8.636  -7.285  -4.386
   53   3HB   ALA   9          2HB       ALA   9   8.581  -8.723  -5.423
   54    H    TRP  10           H        TRP  10  11.459  -8.320  -1.984
   55    HA   TRP  10           HA       TRP  10  13.391  -7.098  -3.605
   56   1HB   TRP  10          1HB       TRP  10  13.347  -8.657  -0.974
   57   2HB   TRP  10          2HB       TRP  10  14.779  -7.862  -1.585
   58    HD1  TRP  10           HD1      TRP  10  12.036  -5.565  -2.320
   59    HE1  TRP  10           HE1      TRP  10  11.834  -3.728  -0.565
   60    HE3  TRP  10           HE3      TRP  10  14.933  -7.650   1.357
   61    HZ2  TRP  10           HZ2      TRP  10  12.855  -3.179   2.074
   62    HZ3  TRP  10           HZ3      TRP  10  15.338  -6.419   3.467
   63    HH2  TRP  10           HH2      TRP  10  14.318  -4.186   3.840
   64    H    ARG  11           H        ARG  11  13.027 -10.446  -2.470
   65    HA   ARG  11           HA       ARG  11  13.640 -11.759  -4.892
   66   1HB   ARG  11          1HB       ARG  11  15.836 -12.053  -2.775
   67   2HB   ARG  11          2HB       ARG  11  15.553 -13.113  -4.141
   68   1HG   ARG  11          1HG       ARG  11  16.060 -11.032  -5.613
   69   2HG   ARG  11          2HG       ARG  11  16.748 -10.358  -4.119
   70   1HD   ARG  11          2HD       ARG  11  17.602 -12.796  -5.690
   71   2HD   ARG  11          1HD       ARG  11  18.564 -11.391  -5.252
   72    HE   ARG  11           HE       ARG  11  17.953 -13.788  -3.680
   73   1HH1  ARG  11          1HH1      ARG  11  18.981 -14.148  -1.636
   74   2HH1  ARG  11          2HH1      ARG  11  19.983 -12.916  -0.958
   75   1HH2  ARG  11          1HH2      ARG  11  19.385 -10.501  -3.462
   76   2HH2  ARG  11          2HH2      ARG  11  19.972 -10.780  -1.863
   77    H    CYS  12           H        CYS  12  11.501 -12.179  -3.936
   78    HA   CYS  12           HA       CYS  12   9.968 -13.105  -2.541
   79   1HB   CYS  12          1HB       CYS  12  10.640 -14.451  -4.580
   80   2HB   CYS  12          2HB       CYS  12  11.590 -15.483  -3.523

  No H/Q in entry =          80
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   9.179 -17.295   5.050
    2    H2   GLY   1           H2       GLY   1   7.647 -16.954   5.539
    3    H3   GLY   1           H3       GLY   1   8.033 -18.482   5.057
    4   1HA   GLY   1          2HA       GLY   1   6.780 -17.369   3.358
    5   2HA   GLY   1          1HA       GLY   1   8.424 -17.768   2.843
    6    H    CYS   2           H        CYS   2   6.256 -15.229   3.838
    7    HA   CYS   2           HA       CYS   2   6.108 -13.075   3.579
    8   1HB   CYS   2          1HB       CYS   2   8.203 -13.185   5.048
    9   2HB   CYS   2          2HB       CYS   2   9.105 -12.747   3.596
   10    H    CYS   3           H        CYS   3   8.233 -14.601   1.200
   11    HA   CYS   3           HA       CYS   3   8.508 -12.640  -0.694
   12   1HB   CYS   3          1HB       CYS   3   9.390 -14.938  -0.761
   13   2HB   CYS   3          2HB       CYS   3   7.774 -15.560  -1.108
   14    H    SER   4           H        SER   4   5.512 -14.467  -0.019
   15    HA   SER   4           HA       SER   4   3.943 -13.385  -2.158
   16   1HB   SER   4          1HB       SER   4   2.195 -14.683  -0.729
   17   2HB   SER   4          2HB       SER   4   3.517 -15.572  -1.493
   18    HG   SER   4           HG       SER   4   3.258 -14.813   1.226
   19    H    ASN   5           H        ASN   5   5.117 -11.666   0.392
   20    HA   ASN   5           HA       ASN   5   2.638 -10.099   0.837
   21   1HB   ASN   5          1HB       ASN   5   3.565 -10.708   2.953
   22   2HB   ASN   5          2HB       ASN   5   5.210 -10.390   2.433
   23   2HD2  ASN   5          2HD2      ASN   5   2.218  -8.785   3.433
   24   1HD2  ASN   5          1HD2      ASN   5   2.935  -7.177   3.548
   25    HA   PRO   6           HA       PRO   6   4.662  -7.689  -2.188
   26   1HB   PRO   6          1HB       PRO   6   2.945  -5.532  -2.480
   27   2HB   PRO   6          2HB       PRO   6   2.477  -7.201  -2.894
   28   1HG   PRO   6          2HG       PRO   6   2.055  -5.744  -0.257
   29   2HG   PRO   6          1HG       PRO   6   0.804  -6.544  -1.262
   30   1HD   PRO   6          1HD       PRO   6   1.939  -7.844   0.808
   31   2HD   PRO   6          2HD       PRO   6   1.648  -8.706  -0.735
   32    H    ARG   7           H        ARG   7   5.390  -7.099   0.582
   33    HA   ARG   7           HA       ARG   7   6.928  -4.616   0.038
   34   1HB   ARG   7          1HB       ARG   7   5.493  -4.451   2.122
   35   2HB   ARG   7          2HB       ARG   7   6.507  -5.719   2.823
   36   1HG   ARG   7          1HG       ARG   7   8.520  -4.251   2.354
   37   2HG   ARG   7          2HG       ARG   7   7.400  -2.991   1.820
   38   1HD   ARG   7          1HD       ARG   7   6.391  -2.954   4.098
   39   2HD   ARG   7          2HD       ARG   7   7.527  -4.228   4.607
   40    HE   ARG   7           HE       ARG   7   8.904  -2.005   3.404
   41   1HH1  ARG   7          1HH1      ARG   7  10.125  -0.640   4.528
   42   2HH1  ARG   7          2HH1      ARG   7  10.054  -0.468   6.257
   43   1HH2  ARG   7          1HH2      ARG   7   7.487  -2.960   6.564
   44   2HH2  ARG   7          2HH2      ARG   7   8.458  -1.793   7.416
   45    H    CYS   8           H        CYS   8   6.965  -8.006   1.098
   46    HA   CYS   8           HA       CYS   8   9.851  -8.115   1.337
   47   1HB   CYS   8          1HB       CYS   8   7.445  -9.753   1.880
   48   2HB   CYS   8          2HB       CYS   8   8.803 -10.705   1.322
   49    H    ALA   9           H        ALA   9   8.140  -7.856  -1.210
   50    HA   ALA   9           HA       ALA   9   8.477 -10.092  -2.900
   51   1HB   ALA   9          1HB       ALA   9   6.765  -8.331  -3.142
   52   2HB   ALA   9          3HB       ALA   9   8.006  -7.175  -3.666
   53   3HB   ALA   9          2HB       ALA   9   7.632  -8.598  -4.665
   54    H    TRP  10           H        TRP  10  11.175  -8.524  -1.869
   55    HA   TRP  10           HA       TRP  10  12.535  -7.853  -4.299
   56   1HB   TRP  10          1HB       TRP  10  13.259  -8.208  -1.355
   57   2HB   TRP  10          2HB       TRP  10  14.404  -7.807  -2.595
   58    HD1  TRP  10           HD1      TRP  10  11.194  -6.000  -3.180
   59    HE1  TRP  10           HE1      TRP  10  11.399  -3.576  -2.534
   60    HE3  TRP  10           HE3      TRP  10  15.692  -6.252  -0.795
   61    HZ2  TRP  10           HZ2      TRP  10  13.379  -1.860  -1.228
   62    HZ3  TRP  10           HZ3      TRP  10  16.768  -4.178   0.069
   63    HH2  TRP  10           HH2      TRP  10  15.634  -1.990  -0.161
   64    H    ARG  11           H        ARG  11  12.023 -10.892  -2.518
   65    HA   ARG  11           HA       ARG  11  13.507 -12.456  -4.365
   66   1HB   ARG  11          1HB       ARG  11  15.382 -11.332  -2.960
   67   2HB   ARG  11          2HB       ARG  11  14.773 -12.264  -1.592
   68   1HG   ARG  11          1HG       ARG  11  15.372 -14.340  -2.637
   69   2HG   ARG  11          2HG       ARG  11  15.612 -13.555  -4.209
   70   1HD   ARG  11          1HD       ARG  11  17.584 -12.362  -3.296
   71   2HD   ARG  11          2HD       ARG  11  17.297 -13.093  -1.712
   72    HE   ARG  11           HE       ARG  11  18.197 -15.071  -2.422
   73   1HH1  ARG  11          1HH1      ARG  11  19.144 -16.581  -3.919
   74   2HH1  ARG  11          2HH1      ARG  11  19.210 -16.165  -5.608
   75   1HH2  ARG  11          1HH2      ARG  11  17.840 -12.961  -5.280
   76   2HH2  ARG  11          2HH2      ARG  11  18.456 -14.123  -6.391
   77    H    CYS  12           H        CYS  12  13.656 -14.794  -3.290
   78    HA   CYS  12           HA       CYS  12  11.277 -15.347  -1.654
   79   1HB   CYS  12          1HB       CYS  12  11.312 -15.330  -4.463
   80   2HB   CYS  12          2HB       CYS  12  11.690 -17.002  -4.087

  No H/Q in entry =          80
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   2.846 -14.204   3.823
    2    H2   GLY   1           H2       GLY   1   2.991 -15.126   2.469
    3    H3   GLY   1           H3       GLY   1   2.713 -15.842   3.935
    4   1HA   GLY   1          2HA       GLY   1   5.011 -16.088   3.221
    5   2HA   GLY   1          1HA       GLY   1   4.843 -15.169   4.734
    6    H    CYS   2           H        CYS   2   6.931 -14.175   4.209
    7    HA   CYS   2           HA       CYS   2   6.647 -11.576   3.367
    8   1HB   CYS   2          1HB       CYS   2   8.648 -13.138   4.479
    9   2HB   CYS   2          2HB       CYS   2   9.368 -12.629   2.963
   10    H    CYS   3           H        CYS   3   7.862 -14.311   1.371
   11    HA   CYS   3           HA       CYS   3   8.390 -12.823  -0.980
   12   1HB   CYS   3          1HB       CYS   3   9.145 -15.125  -0.499
   13   2HB   CYS   3          2HB       CYS   3   7.498 -15.703  -0.642
   14    H    SER   4           H        SER   4   5.220 -14.243   0.174
   15    HA   SER   4           HA       SER   4   3.936 -13.468  -2.331
   16   1HB   SER   4          1HB       SER   4   2.044 -14.584  -1.383
   17   2HB   SER   4          2HB       SER   4   3.463 -15.623  -1.230
   18    HG   SER   4           HG       SER   4   1.912 -14.312   0.648
   19    H    ASN   5           H        ASN   5   5.006 -11.700   0.242
   20    HA   ASN   5           HA       ASN   5   2.547 -10.098   0.631
   21   1HB   ASN   5          1HB       ASN   5   3.453 -11.040   2.685
   22   2HB   ASN   5          2HB       ASN   5   5.071 -10.451   2.284
   23   2HD2  ASN   5          2HD2      ASN   5   2.006  -9.545   3.780
   24   1HD2  ASN   5          1HD2      ASN   5   2.483  -7.862   4.031
   25    HA   PRO   6           HA       PRO   6   4.659  -7.232  -1.882
   26   1HB   PRO   6          1HB       PRO   6   3.099  -4.952  -1.650
   27   2HB   PRO   6          2HB       PRO   6   2.529  -6.466  -2.401
   28   1HG   PRO   6          1HG       PRO   6   2.134  -5.554   0.456
   29   2HG   PRO   6          2HG       PRO   6   0.888  -6.140  -0.704
   30   1HD   PRO   6          1HD       PRO   6   2.009  -7.782   1.139
   31   2HD   PRO   6          2HD       PRO   6   1.615  -8.360  -0.505
   32    H    ARG   7           H        ARG   7   5.652  -7.429   0.853
   33    HA   ARG   7           HA       ARG   7   7.154  -4.865   0.928
   34   1HB   ARG   7          1HB       ARG   7   5.694  -5.362   2.955
   35   2HB   ARG   7          2HB       ARG   7   6.800  -6.699   3.322
   36   1HG   ARG   7          1HG       ARG   7   8.689  -5.087   3.468
   37   2HG   ARG   7          2HG       ARG   7   7.594  -3.768   3.009
   38   1HD   ARG   7          1HD       ARG   7   6.228  -4.333   5.089
   39   2HD   ARG   7          2HD       ARG   7   7.502  -5.473   5.528
   40    HE   ARG   7           HE       ARG   7   8.941  -3.749   6.058
   41   1HH1  ARG   7          1HH1      ARG   7   9.421  -1.569   6.652
   42   2HH1  ARG   7          2HH1      ARG   7   8.262  -0.319   6.312
   43   1HH2  ARG   7          1HH2      ARG   7   6.089  -2.294   4.419
   44   2HH2  ARG   7          2HH2      ARG   7   6.532  -0.712   4.937
   45    H    CYS   8           H        CYS   8   7.385  -8.392   0.580
   46    HA   CYS   8           HA       CYS   8  10.322  -8.097   0.383
   47   1HB   CYS   8          1HB       CYS   8   9.819 -10.576   1.638
   48   2HB   CYS   8          2HB       CYS   8  10.685  -9.185   2.269
   49    H    ALA   9           H        ALA   9   7.930  -8.595  -1.456
   50    HA   ALA   9           HA       ALA   9   8.292 -11.181  -2.594
   51   1HB   ALA   9          1HB       ALA   9   6.246  -9.910  -2.943
   52   2HB   ALA   9          3HB       ALA   9   7.143  -8.633  -3.791
   53   3HB   ALA   9          2HB       ALA   9   7.018 -10.250  -4.503
   54    H    TRP  10           H        TRP  10  10.230  -8.261  -2.914
   55    HA   TRP  10           HA       TRP  10  11.664  -8.669  -5.227
   56   1HB   TRP  10          1HB       TRP  10  12.158  -7.498  -2.478
   57   2HB   TRP  10          2HB       TRP  10  13.512  -7.726  -3.538
   58    HD1  TRP  10           HD1      TRP  10  10.604  -6.569  -5.539
   59    HE1  TRP  10           HE1      TRP  10  11.039  -4.118  -6.240
   60    HE3  TRP  10           HE3      TRP  10  14.544  -5.502  -2.455
   61    HZ2  TRP  10           HZ2      TRP  10  12.748  -1.954  -5.432
   62    HZ3  TRP  10           HZ3      TRP  10  15.586  -3.250  -2.462
   63    HH2  TRP  10           HH2      TRP  10  14.685  -1.461  -3.934
   64    H    ARG  11           H        ARG  11  13.483  -9.388  -2.248
   65    HA   ARG  11           HA       ARG  11  14.756 -11.561  -3.562
   66   1HB   ARG  11          2HB       ARG  11  16.165 -11.788  -1.645
   67   2HB   ARG  11          1HB       ARG  11  15.899 -10.098  -2.014
   68   1HG   ARG  11          1HG       ARG  11  15.695  -9.990   0.232
   69   2HG   ARG  11          2HG       ARG  11  13.996 -10.288  -0.141
   70   1HD   ARG  11          1HD       ARG  11  14.241 -12.634   0.481
   71   2HD   ARG  11          2HD       ARG  11  16.006 -12.462   0.591
   72    HE   ARG  11           HE       ARG  11  15.037 -10.544   2.319
   73   1HH1  ARG  11          1HH1      ARG  11  14.653 -10.829   4.574
   74   2HH1  ARG  11          2HH1      ARG  11  14.539 -12.439   5.208
   75   1HH2  ARG  11          1HH2      ARG  11  15.014 -14.121   2.139
   76   2HH2  ARG  11          2HH2      ARG  11  15.102 -14.277   3.862
   77    H    CYS  12           H        CYS  12  11.854 -11.888  -2.965
   78    HA   CYS  12           HA       CYS  12  10.324 -13.361  -2.096
   79   1HB   CYS  12          1HB       CYS  12  11.382 -14.567  -4.005
   80   2HB   CYS  12          2HB       CYS  12  12.442 -15.397  -2.873

  No H/Q in entry =          80
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   3.584 -14.836   2.641
    2    H2   GLY   1           H2       GLY   1   2.890 -14.979   4.125
    3    H3   GLY   1           H3       GLY   1   3.327 -13.495   3.580
    4   1HA   GLY   1          2HA       GLY   1   5.060 -15.716   4.375
    5   2HA   GLY   1          1HA       GLY   1   4.917 -14.128   5.149
    6    H    CYS   2           H        CYS   2   6.124 -12.443   4.356
    7    HA   CYS   2           HA       CYS   2   7.362 -11.178   3.137
    8   1HB   CYS   2          1HB       CYS   2   8.950 -13.518   3.884
    9   2HB   CYS   2          2HB       CYS   2   9.607 -12.740   2.467
   10    H    CYS   3           H        CYS   3   8.179 -14.084   1.127
   11    HA   CYS   3           HA       CYS   3   8.507 -12.513  -1.203
   12   1HB   CYS   3          2HB       CYS   3   7.624 -15.333  -1.579
   13   2HB   CYS   3          1HB       CYS   3   8.975 -14.448  -2.251
   14    H    SER   4           H        SER   4   5.743 -14.399   0.037
   15    HA   SER   4           HA       SER   4   3.958 -13.857  -2.172
   16   1HB   SER   4          1HB       SER   4   2.391 -15.085  -0.548
   17   2HB   SER   4          2HB       SER   4   3.825 -15.954  -1.100
   18    HG   SER   4           HG       SER   4   3.933 -16.317   0.936
   19    H    ASN   5           H        ASN   5   5.095 -11.450  -0.586
   20    HA   ASN   5           HA       ASN   5   2.519 -10.204   0.125
   21   1HB   ASN   5          1HB       ASN   5   3.643 -11.408   2.123
   22   2HB   ASN   5          2HB       ASN   5   4.899 -10.178   2.027
   23   2HD2  ASN   5          2HD2      ASN   5   1.400 -10.768   2.630
   24   1HD2  ASN   5          1HD2      ASN   5   1.150  -9.238   3.454
   25    HA   PRO   6           HA       PRO   6   4.803  -7.061  -1.965
   26   1HB   PRO   6          1HB       PRO   6   3.323  -4.781  -1.512
   27   2HB   PRO   6          2HB       PRO   6   2.748  -6.151  -2.500
   28   1HG   PRO   6          2HG       PRO   6   2.168  -5.580   0.420
   29   2HG   PRO   6          1HG       PRO   6   1.001  -5.995  -0.878
   30   1HD   PRO   6          1HD       PRO   6   1.981  -7.847   0.853
   31   2HD   PRO   6          2HD       PRO   6   1.663  -8.282  -0.838
   32    H    ARG   7           H        ARG   7   5.567  -7.643   0.782
   33    HA   ARG   7           HA       ARG   7   6.958  -5.156   1.598
   34   1HB   ARG   7          1HB       ARG   7   5.623  -6.566   3.349
   35   2HB   ARG   7          2HB       ARG   7   6.996  -7.680   3.282
   36   1HG   ARG   7          1HG       ARG   7   8.499  -5.655   3.723
   37   2HG   ARG   7          2HG       ARG   7   7.014  -4.702   3.902
   38   1HD   ARG   7          1HD       ARG   7   6.379  -6.366   5.777
   39   2HD   ARG   7          2HD       ARG   7   8.066  -6.906   5.694
   40    HE   ARG   7           HE       ARG   7   8.810  -4.864   6.537
   41   1HH1  ARG   7          1HH1      ARG   7   8.592  -2.632   7.157
   42   2HH1  ARG   7          2HH1      ARG   7   6.990  -2.024   7.476
   43   1HH2  ARG   7          1HH2      ARG   7   5.216  -4.809   6.346
   44   2HH2  ARG   7          2HH2      ARG   7   5.163  -3.162   6.895
   45    H    CYS   8           H        CYS   8   7.657  -8.687   1.343
   46    HA   CYS   8           HA       CYS   8  10.441  -7.995   0.614
   47   1HB   CYS   8          1HB       CYS   8   9.933 -10.738   1.455
   48   2HB   CYS   8          2HB       CYS   8  11.242  -9.661   1.855
   49    H    ALA   9           H        ALA   9   8.035  -8.217  -1.202
   50    HA   ALA   9           HA       ALA   9   8.003 -10.635  -2.584
   51   1HB   ALA   9          1HB       ALA   9   6.251  -8.944  -2.843
   52   2HB   ALA   9          3HB       ALA   9   7.416  -7.831  -3.598
   53   3HB   ALA   9          2HB       ALA   9   6.941  -9.333  -4.423
   54    H    TRP  10           H        TRP  10  10.666  -8.333  -2.740
   55    HA   TRP  10           HA       TRP  10  11.514  -9.114  -5.369
   56   1HB   TRP  10          1HB       TRP  10  12.819  -7.666  -3.001
   57   2HB   TRP  10          2HB       TRP  10  13.569  -8.053  -4.476
   58    HD1  TRP  10           HD1      TRP  10  10.076  -6.707  -4.724
   59    HE1  TRP  10           HE1      TRP  10  10.148  -4.345  -5.738
   60    HE3  TRP  10           HE3      TRP  10  15.057  -6.034  -4.578
   61    HZ2  TRP  10           HZ2      TRP  10  12.222  -2.437  -6.530
   62    HZ3  TRP  10           HZ3      TRP  10  16.122  -3.948  -5.479
   63    HH2  TRP  10           HH2      TRP  10  14.698  -2.164  -6.462
   64    H    ARG  11           H        ARG  11  12.851  -9.743  -2.048
   65    HA   ARG  11           HA       ARG  11  14.513 -11.920  -2.990
   66   1HB   ARG  11          1HB       ARG  11  13.683 -10.969  -0.203
   67   2HB   ARG  11          2HB       ARG  11  14.765 -12.326  -0.514
   68   1HG   ARG  11          1HG       ARG  11  16.206 -10.750  -1.892
   69   2HG   ARG  11          2HG       ARG  11  15.258  -9.415  -1.235
   70   1HD   ARG  11          1HD       ARG  11  17.337  -9.749   0.062
   71   2HD   ARG  11          2HD       ARG  11  15.909 -10.047   1.055
   72    HE   ARG  11           HE       ARG  11  16.468 -12.252   1.275
   73   1HH1  ARG  11          1HH1      ARG  11  17.816 -14.151   1.129
   74   2HH1  ARG  11          2HH1      ARG  11  18.928 -14.242  -0.208
   75   1HH2  ARG  11          1HH2      ARG  11  18.389 -11.086  -1.565
   76   2HH2  ARG  11          2HH2      ARG  11  19.286 -12.576  -1.610
   77    H    CYS  12           H        CYS  12  14.389 -14.162  -1.976
   78    HA   CYS  12           HA       CYS  12  12.090 -14.778  -0.502
   79   1HB   CYS  12          1HB       CYS  12  11.163 -15.056  -2.900
   80   2HB   CYS  12          2HB       CYS  12  12.262 -16.421  -3.059

  No H/Q in entry =          80
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   5.774 -12.737   6.903
    2    H2   GLY   1           H2       GLY   1   4.333 -12.925   6.113
    3    H3   GLY   1           H3       GLY   1   4.830 -14.068   7.191
    4   1HA   GLY   1          2HA       GLY   1   5.136 -14.783   4.919
    5   2HA   GLY   1          1HA       GLY   1   6.676 -14.644   5.807
    6    H    CYS   2           H        CYS   2   6.905 -14.534   3.078
    7    HA   CYS   2           HA       CYS   2   7.275 -11.625   2.569
    8   1HB   CYS   2          1HB       CYS   2   9.339 -13.704   2.977
    9   2HB   CYS   2          2HB       CYS   2   9.557 -12.668   1.564
   10    H    CYS   3           H        CYS   3   7.388 -14.841   0.793
   11    HA   CYS   3           HA       CYS   3   7.151 -13.479  -1.706
   12   1HB   CYS   3          2HB       CYS   3   5.968 -16.197  -1.036
   13   2HB   CYS   3          1HB       CYS   3   6.292 -15.543  -2.633
   14    H    SER   4           H        SER   4   4.639 -14.620   0.574
   15    HA   SER   4           HA       SER   4   2.412 -13.755  -1.062
   16   1HB   SER   4          1HB       SER   4   1.234 -14.506   1.136
   17   2HB   SER   4          2HB       SER   4   2.100 -15.725   0.196
   18    HG   SER   4           HG       SER   4   3.007 -16.122   2.031
   19    H    ASN   5           H        ASN   5   4.584 -11.937   0.693
   20    HA   ASN   5           HA       ASN   5   2.493 -10.079   1.681
   21   1HB   ASN   5          1HB       ASN   5   4.014 -11.096   3.426
   22   2HB   ASN   5          2HB       ASN   5   5.321 -10.120   2.729
   23   2HD2  ASN   5          2HD2      ASN   5   2.072 -10.039   4.248
   24   1HD2  ASN   5          1HD2      ASN   5   2.246  -8.391   4.854
   25    HA   PRO   6           HA       PRO   6   4.359  -7.853  -1.745
   26   1HB   PRO   6          1HB       PRO   6   2.630  -5.767  -1.989
   27   2HB   PRO   6          2HB       PRO   6   2.187  -7.451  -2.367
   28   1HG   PRO   6          1HG       PRO   6   1.598  -5.901   0.163
   29   2HG   PRO   6          2HG       PRO   6   0.492  -6.935  -0.779
   30   1HD   PRO   6          1HD       PRO   6   1.889  -7.767   1.474
   31   2HD   PRO   6          2HD       PRO   6   1.358  -8.888   0.194
   32    H    ARG   7           H        ARG   7   5.885  -7.705   0.406
   33    HA   ARG   7           HA       ARG   7   6.990  -4.995   0.352
   34   1HB   ARG   7          1HB       ARG   7   5.505  -5.130   2.328
   35   2HB   ARG   7          2HB       ARG   7   6.376  -6.546   2.908
   36   1HG   ARG   7          1HG       ARG   7   8.270  -5.323   3.521
   37   2HG   ARG   7          2HG       ARG   7   7.849  -3.933   2.497
   38   1HD   ARG   7          1HD       ARG   7   6.358  -3.081   4.033
   39   2HD   ARG   7          2HD       ARG   7   5.893  -4.673   4.632
   40    HE   ARG   7           HE       ARG   7   7.684  -4.779   6.070
   41   1HH1  ARG   7          1HH1      ARG   7   8.917  -3.759   7.653
   42   2HH1  ARG   7          2HH1      ARG   7   9.582  -2.178   7.392
   43   1HH2  ARG   7          1HH2      ARG   7   7.907  -1.682   4.301
   44   2HH2  ARG   7          2HH2      ARG   7   9.097  -1.055   5.405
   45    H    CYS   8           H        CYS   8   7.520  -7.974  -0.643
   46    HA   CYS   8           HA       CYS   8  10.280  -8.135   0.352
   47   1HB   CYS   8          1HB       CYS   8   8.236  -9.655   1.523
   48   2HB   CYS   8          2HB       CYS   8   9.032 -10.765   0.413
   49    H    ALA   9           H        ALA   9   8.713  -7.900  -2.279
   50    HA   ALA   9           HA       ALA   9   9.401 -10.174  -3.828
   51   1HB   ALA   9          1HB       ALA   9   7.703  -8.600  -4.546
   52   2HB   ALA   9          3HB       ALA   9   8.914  -7.301  -4.733
   53   3HB   ALA   9          2HB       ALA   9   8.950  -8.722  -5.799
   54    H    TRP  10           H        TRP  10  11.599  -7.759  -2.592
   55    HA   TRP  10           HA       TRP  10  13.555  -7.731  -4.594
   56   1HB   TRP  10          1HB       TRP  10  13.548  -7.432  -1.550
   57   2HB   TRP  10          2HB       TRP  10  14.955  -7.280  -2.539
   58    HD1  TRP  10           HD1      TRP  10  12.017  -5.657  -4.183
   59    HE1  TRP  10           HE1      TRP  10  12.243  -3.146  -4.072
   60    HE3  TRP  10           HE3      TRP  10  15.905  -5.394  -0.918
   61    HZ2  TRP  10           HZ2      TRP  10  13.877  -1.192  -2.618
   62    HZ3  TRP  10           HZ3      TRP  10  16.822  -3.185  -0.185
   63    HH2  TRP  10           HH2      TRP  10  15.784  -1.078  -1.016
   64    H    ARG  11           H        ARG  11  12.621 -10.178  -2.239
   65    HA   ARG  11           HA       ARG  11  13.190 -12.378  -3.517
   66   1HB   ARG  11          1HB       ARG  11  15.808 -11.507  -2.314
   67   2HB   ARG  11          2HB       ARG  11  15.336 -13.179  -2.053
   68   1HG   ARG  11          1HG       ARG  11  15.209 -13.674  -4.389
   69   2HG   ARG  11          2HG       ARG  11  15.418 -11.981  -4.848
   70   1HD   ARG  11          1HD       ARG  11  17.646 -11.995  -3.704
   71   2HD   ARG  11          2HD       ARG  11  17.443 -13.732  -3.400
   72    HE   ARG  11           HE       ARG  11  17.126 -13.172  -6.191
   73   1HH1  ARG  11          1HH1      ARG  11  18.765 -13.724  -7.648
   74   2HH1  ARG  11          2HH1      ARG  11  20.358 -14.133  -7.126
   75   1HH2  ARG  11          1HH2      ARG  11  19.623 -13.399  -3.684
   76   2HH2  ARG  11          2HH2      ARG  11  20.867 -13.956  -4.738
   77    H    CYS  12           H        CYS  12  11.899 -13.744  -2.328
   78    HA   CYS  12           HA       CYS  12  11.367 -13.063   0.522
   79   1HB   CYS  12          1HB       CYS  12   9.825 -15.118   0.219
   80   2HB   CYS  12          2HB       CYS  12   9.394 -13.519  -0.378

  No H/Q in entry =          80
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   4.381 -15.721   5.926
    2    H2   GLY   1           H2       GLY   1   4.917 -17.260   5.674
    3    H3   GLY   1           H3       GLY   1   5.957 -16.102   6.242
    4   1HA   GLY   1          2HA       GLY   1   4.650 -16.107   3.611
    5   2HA   GLY   1          1HA       GLY   1   6.356 -16.508   3.927
    6    H    CYS   2           H        CYS   2   7.077 -14.797   2.623
    7    HA   CYS   2           HA       CYS   2   6.604 -12.029   3.619
    8   1HB   CYS   2          1HB       CYS   2   8.729 -13.356   4.571
    9   2HB   CYS   2          2HB       CYS   2   9.425 -12.897   3.034
   10    H    CYS   3           H        CYS   3   8.288 -14.080   1.096
   11    HA   CYS   3           HA       CYS   3   8.385 -11.914  -0.778
   12   1HB   CYS   3          1HB       CYS   3   8.568 -13.928  -2.433
   13   2HB   CYS   3          2HB       CYS   3   9.893 -13.444  -1.416
   14    H    SER   4           H        SER   4   5.925 -14.433  -0.156
   15    HA   SER   4           HA       SER   4   4.148 -13.618  -2.236
   16   1HB   SER   4          1HB       SER   4   2.593 -15.078  -0.739
   17   2HB   SER   4          2HB       SER   4   3.982 -15.814  -1.546
   18    HG   SER   4           HG       SER   4   3.694 -15.088   1.177
   19    H    ASN   5           H        ASN   5   5.138 -11.484  -0.083
   20    HA   ASN   5           HA       ASN   5   2.503 -10.209   0.159
   21   1HB   ASN   5          1HB       ASN   5   3.134 -11.153   2.325
   22   2HB   ASN   5          2HB       ASN   5   4.677 -10.303   2.280
   23   2HD2  ASN   5          2HD2      ASN   5   4.621  -8.517   3.560
   24   1HD2  ASN   5          1HD2      ASN   5   3.332  -7.308   3.573
   25    HA   PRO   6           HA       PRO   6   5.116  -7.158  -1.858
   26   1HB   PRO   6          1HB       PRO   6   3.459  -5.037  -2.047
   27   2HB   PRO   6          2HB       PRO   6   3.201  -6.536  -2.969
   28   1HG   PRO   6          2HG       PRO   6   1.880  -5.759  -0.349
   29   2HG   PRO   6          1HG       PRO   6   1.097  -6.361  -1.843
   30   1HD   PRO   6          1HD       PRO   6   1.718  -7.992   0.232
   31   2HD   PRO   6          2HD       PRO   6   1.852  -8.579  -1.436
   32    H    ARG   7           H        ARG   7   6.223  -7.525   0.158
   33    HA   ARG   7           HA       ARG   7   7.124  -5.027   1.387
   34   1HB   ARG   7          1HB       ARG   7   5.453  -6.044   2.933
   35   2HB   ARG   7          2HB       ARG   7   6.432  -7.516   3.001
   36   1HG   ARG   7          1HG       ARG   7   8.308  -6.257   3.981
   37   2HG   ARG   7          2HG       ARG   7   7.388  -4.750   3.864
   38   1HD   ARG   7          2HD       ARG   7   6.722  -7.184   5.580
   39   2HD   ARG   7          1HD       ARG   7   7.378  -5.633   6.120
   40    HE   ARG   7           HE       ARG   7   4.851  -5.380   4.702
   41   1HH1  ARG   7          1HH1      ARG   7   3.175  -4.458   5.754
   42   2HH1  ARG   7          2HH1      ARG   7   3.100  -4.311   7.488
   43   1HH2  ARG   7          1HH2      ARG   7   6.158  -6.107   7.929
   44   2HH2  ARG   7          2HH2      ARG   7   4.877  -5.313   8.776
   45    H    CYS   8           H        CYS   8   7.500  -8.496   0.587
   46    HA   CYS   8           HA       CYS   8  10.431  -8.150   0.540
   47   1HB   CYS   8          1HB       CYS   8   9.516 -10.828   1.270
   48   2HB   CYS   8          2HB       CYS   8  10.773  -9.844   1.979
   49    H    ALA   9           H        ALA   9   8.203  -8.100  -1.539
   50    HA   ALA   9           HA       ALA   9   8.241 -10.587  -2.977
   51   1HB   ALA   9          1HB       ALA   9   6.362  -8.941  -2.944
   52   2HB   ALA   9          3HB       ALA   9   7.356  -7.829  -3.912
   53   3HB   ALA   9          2HB       ALA   9   6.862  -9.409  -4.570
   54    H    TRP  10           H        TRP  10  10.729  -8.204  -2.830
   55    HA   TRP  10           HA       TRP  10  11.977  -8.727  -5.370
   56   1HB   TRP  10          1HB       TRP  10  12.788  -7.806  -2.583
   57   2HB   TRP  10          2HB       TRP  10  13.985  -8.347  -3.716
   58    HD1  TRP  10           HD1      TRP  10  11.243  -6.442  -5.383
   59    HE1  TRP  10           HE1      TRP  10  12.285  -4.300  -6.368
   60    HE3  TRP  10           HE3      TRP  10  15.658  -6.493  -2.860
   61    HZ2  TRP  10           HZ2      TRP  10  14.735  -2.779  -6.044
   62    HZ3  TRP  10           HZ3      TRP  10  17.362  -4.726  -3.239
   63    HH2  TRP  10           HH2      TRP  10  16.916  -2.884  -4.859
   64    H    ARG  11           H        ARG  11  12.195 -10.167  -2.090
   65    HA   ARG  11           HA       ARG  11  12.367 -12.825  -2.891
   66   1HB   ARG  11          1HB       ARG  11  14.810 -11.927  -3.513
   67   2HB   ARG  11          2HB       ARG  11  15.041 -11.884  -1.766
   68   1HG   ARG  11          1HG       ARG  11  14.152 -14.344  -1.799
   69   2HG   ARG  11          2HG       ARG  11  14.368 -14.269  -3.536
   70   1HD   ARG  11          1HD       ARG  11  16.759 -13.925  -3.284
   71   2HD   ARG  11          2HD       ARG  11  16.579 -13.680  -1.531
   72    HE   ARG  11           HE       ARG  11  15.533 -16.227  -2.422
   73   1HH1  ARG  11          1HH1      ARG  11  16.504 -18.088  -1.478
   74   2HH1  ARG  11          2HH1      ARG  11  18.170 -18.069  -0.983
   75   1HH2  ARG  11          1HH2      ARG  11  18.600 -14.596  -1.615
   76   2HH2  ARG  11          2HH2      ARG  11  19.386 -16.062  -1.115
   77    H    CYS  12           H        CYS  12  11.988 -13.997  -1.052
   78    HA   CYS  12           HA       CYS  12  11.692 -12.778   1.573
   79   1HB   CYS  12          1HB       CYS  12  11.728 -15.483   1.960
   80   2HB   CYS  12          2HB       CYS  12  10.286 -14.555   1.621

  No H/Q in entry =          80
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1   2.838 -13.589   4.607
    2    H2   GLY   1           H2       GLY   1   2.862 -14.612   5.897
    3    H3   GLY   1           H3       GLY   1   3.893 -13.310   5.833
    4   1HA   GLY   1          2HA       GLY   1   3.963 -15.656   4.072
    5   2HA   GLY   1          1HA       GLY   1   5.140 -15.241   5.347
    6    H    CYS   2           H        CYS   2   6.995 -14.740   4.113
    7    HA   CYS   2           HA       CYS   2   6.951 -12.065   3.330
    8   1HB   CYS   2          1HB       CYS   2   8.895 -13.827   4.123
    9   2HB   CYS   2          2HB       CYS   2   9.354 -13.564   2.441
   10    H    CYS   3           H        CYS   3   7.831 -14.806   0.948
   11    HA   CYS   3           HA       CYS   3   7.540 -13.272  -1.316
   12   1HB   CYS   3          1HB       CYS   3   6.476 -16.092  -0.890
   13   2HB   CYS   3          2HB       CYS   3   6.835 -15.339  -2.434
   14    H    SER   4           H        SER   4   4.871 -14.710   0.635
   15    HA   SER   4           HA       SER   4   2.763 -13.969  -1.091
   16   1HB   SER   4          1HB       SER   4   1.733 -14.395   1.427
   17   2HB   SER   4          2HB       SER   4   1.893 -15.565   0.137
   18    HG   SER   4           HG       SER   4   2.784 -16.453   1.897
   19    H    ASN   5           H        ASN   5   4.721 -11.804   0.511
   20    HA   ASN   5           HA       ASN   5   2.467  -9.895   0.869
   21   1HB   ASN   5          1HB       ASN   5   3.324 -10.776   3.054
   22   2HB   ASN   5          2HB       ASN   5   4.919 -10.143   2.652
   23   2HD2  ASN   5          2HD2      ASN   5   1.495  -9.204   3.168
   24   1HD2  ASN   5          1HD2      ASN   5   1.787  -7.533   3.553
   25    HA   PRO   6           HA       PRO   6   5.165  -8.065  -2.025
   26   1HB   PRO   6          1HB       PRO   6   3.871  -5.668  -2.627
   27   2HB   PRO   6          2HB       PRO   6   3.334  -7.284  -3.166
   28   1HG   PRO   6          1HG       PRO   6   2.368  -5.675  -0.796
   29   2HG   PRO   6          2HG       PRO   6   1.398  -6.605  -1.979
   30   1HD   PRO   6          1HD       PRO   6   2.070  -7.557   0.506
   31   2HD   PRO   6          2HD       PRO   6   1.879  -8.635  -0.902
   32    H    ARG   7           H        ARG   7   5.533  -7.351   0.788
   33    HA   ARG   7           HA       ARG   7   7.326  -4.983   0.612
   34   1HB   ARG   7          1HB       ARG   7   5.793  -5.468   2.631
   35   2HB   ARG   7          2HB       ARG   7   6.891  -6.779   3.023
   36   1HG   ARG   7          1HG       ARG   7   8.468  -4.379   2.653
   37   2HG   ARG   7          2HG       ARG   7   7.039  -3.935   3.577
   38   1HD   ARG   7          2HD       ARG   7   8.779  -4.527   5.123
   39   2HD   ARG   7          1HD       ARG   7   7.531  -5.757   5.214
   40    HE   ARG   7           HE       ARG   7  10.126  -5.937   3.750
   41   1HH1  ARG   7          1HH1      ARG   7  11.215  -7.888   3.775
   42   2HH1  ARG   7          2HH1      ARG   7  10.648  -9.244   4.713
   43   1HH2  ARG   7          1HH2      ARG   7   7.492  -7.733   5.402
   44   2HH2  ARG   7          2HH2      ARG   7   8.385  -9.190   5.561
   45    H    CYS   8           H        CYS   8   7.335  -8.397   0.226
   46    HA   CYS   8           HA       CYS   8  10.258  -8.601   0.586
   47   1HB   CYS   8          1HB       CYS   8   8.200 -10.138   1.670
   48   2HB   CYS   8          2HB       CYS   8   8.829 -11.121   0.350
   49    H    ALA   9           H        ALA   9   8.704  -7.603  -1.854
   50    HA   ALA   9           HA       ALA   9   8.577  -9.705  -3.725
   51   1HB   ALA   9          1HB       ALA   9   7.402  -7.497  -3.928
   52   2HB   ALA   9          3HB       ALA   9   8.959  -6.767  -4.374
   53   3HB   ALA   9          2HB       ALA   9   8.240  -8.001  -5.415
   54    H    TRP  10           H        TRP  10  11.209  -7.415  -3.162
   55    HA   TRP  10           HA       TRP  10  12.999  -8.237  -5.191
   56   1HB   TRP  10          1HB       TRP  10  13.187  -6.986  -2.423
   57   2HB   TRP  10          2HB       TRP  10  14.587  -7.249  -3.400
   58    HD1  TRP  10           HD1      TRP  10  12.040  -6.111  -5.735
   59    HE1  TRP  10           HE1      TRP  10  12.168  -3.589  -6.162
   60    HE3  TRP  10           HE3      TRP  10  15.070  -4.777  -1.832
   61    HZ2  TRP  10           HZ2      TRP  10  13.597  -1.308  -5.077
   62    HZ3  TRP  10           HZ3      TRP  10  15.765  -2.416  -1.531
   63    HH2  TRP  10           HH2      TRP  10  15.055  -0.684  -3.160
   64    H    ARG  11           H        ARG  11  12.273  -9.504  -2.006
   65    HA   ARG  11           HA       ARG  11  14.428 -11.469  -1.842
   66   1HB   ARG  11          1HB       ARG  11  13.164 -10.182   0.096
   67   2HB   ARG  11          2HB       ARG  11  11.924 -11.399  -0.171
   68   1HG   ARG  11          2HG       ARG  11  13.200 -12.171   1.605
   69   2HG   ARG  11          1HG       ARG  11  13.702 -13.171   0.257
   70   1HD   ARG  11          1HD       ARG  11  15.768 -11.844   0.010
   71   2HD   ARG  11          2HD       ARG  11  15.218 -10.745   1.284
   72    HE   ARG  11           HE       ARG  11  15.507 -13.651   1.817
   73   1HH1  ARG  11          1HH1      ARG  11  16.459 -14.306   3.697
   74   2HH1  ARG  11          2HH1      ARG  11  17.525 -13.241   4.577
   75   1HH2  ARG  11          1HH2      ARG  11  16.617 -10.336   2.754
   76   2HH2  ARG  11          2HH2      ARG  11  17.412 -10.957   4.155
   77    H    CYS  12           H        CYS  12  12.420 -13.448  -0.902
   78    HA   CYS  12           HA       CYS  12  11.380 -15.255  -1.568
   79   1HB   CYS  12          1HB       CYS  12   9.941 -13.616  -2.995
   80   2HB   CYS  12          2HB       CYS  12  10.800 -14.339  -4.356

  No H/Q in entry =          80
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   9.989 -17.973   2.468
    2    H2   GLY   1           H2       GLY   1   9.766 -17.436   4.017
    3    H3   GLY   1           H3       GLY   1   9.137 -18.884   3.556
    4   1HA   GLY   1          2HA       GLY   1   7.459 -17.175   3.714
    5   2HA   GLY   1          1HA       GLY   1   7.597 -17.883   2.097
    6    H    CYS   2           H        CYS   2   7.147 -15.049   3.577
    7    HA   CYS   2           HA       CYS   2   7.129 -12.951   3.083
    8   1HB   CYS   2          1HB       CYS   2   9.811 -13.568   3.301
    9   2HB   CYS   2          2HB       CYS   2   9.740 -12.636   1.809
   10    H    CYS   3           H        CYS   3   8.096 -14.801   0.134
   11    HA   CYS   3           HA       CYS   3   7.082 -12.852  -1.682
   12   1HB   CYS   3          1HB       CYS   3   7.707 -15.755  -1.778
   13   2HB   CYS   3          2HB       CYS   3   6.459 -15.230  -2.905
   14    H    SER   4           H        SER   4   5.287 -14.153   0.798
   15    HA   SER   4           HA       SER   4   2.687 -14.111  -0.551
   16   1HB   SER   4          1HB       SER   4   2.107 -14.420   2.035
   17   2HB   SER   4          2HB       SER   4   2.669 -15.761   1.034
   18    HG   SER   4           HG       SER   4   3.714 -15.516   3.104
   19    H    ASN   5           H        ASN   5   4.836 -11.700   0.247
   20    HA   ASN   5           HA       ASN   5   2.733  -9.859   1.263
   21   1HB   ASN   5          1HB       ASN   5   4.060 -10.628   3.107
   22   2HB   ASN   5          2HB       ASN   5   5.549 -10.439   2.203
   23   2HD2  ASN   5          2HD2      ASN   5   2.830  -8.417   3.489
   24   1HD2  ASN   5          1HD2      ASN   5   3.866  -7.063   3.821
   25    HA   PRO   6           HA       PRO   6   4.583  -7.481  -2.031
   26   1HB   PRO   6          1HB       PRO   6   2.846  -5.363  -2.196
   27   2HB   PRO   6          2HB       PRO   6   2.338  -7.034  -2.574
   28   1HG   PRO   6          2HG       PRO   6   2.023  -5.558   0.065
   29   2HG   PRO   6          1HG       PRO   6   0.766  -6.433  -0.869
   30   1HD   PRO   6          1HD       PRO   6   2.150  -7.588   1.194
   31   2HD   PRO   6          2HD       PRO   6   1.586  -8.521  -0.220
   32    H    ARG   7           H        ARG   7   5.618  -7.193   0.682
   33    HA   ARG   7           HA       ARG   7   7.007  -4.610   0.245
   34   1HB   ARG   7          1HB       ARG   7   5.453  -4.692   2.304
   35   2HB   ARG   7          2HB       ARG   7   6.613  -5.797   3.018
   36   1HG   ARG   7          1HG       ARG   7   8.200  -4.230   3.347
   37   2HG   ARG   7          2HG       ARG   7   7.834  -3.339   1.875
   38   1HD   ARG   7          1HD       ARG   7   5.639  -3.194   3.881
   39   2HD   ARG   7          2HD       ARG   7   7.173  -2.576   4.470
   40    HE   ARG   7           HE       ARG   7   6.956  -0.754   3.199
   41   1HH1  ARG   7          1HH1      ARG   7   6.172   0.637   1.624
   42   2HH1  ARG   7          2HH1      ARG   7   5.332   0.036   0.214
   43   1HH2  ARG   7          1HH2      ARG   7   4.963  -3.221   1.545
   44   2HH2  ARG   7          2HH2      ARG   7   4.432  -2.141   0.305
   45    H    CYS   8           H        CYS   8   7.238  -7.829  -0.079
   46    HA   CYS   8           HA       CYS   8  10.113  -8.015   0.617
   47   1HB   CYS   8          1HB       CYS   8   7.878  -9.302   1.826
   48   2HB   CYS   8          2HB       CYS   8   8.605 -10.504   0.791
   49    H    ALA   9           H        ALA   9   8.930  -7.236  -1.893
   50    HA   ALA   9           HA       ALA   9   8.313  -9.137  -3.749
   51   1HB   ALA   9          1HB       ALA   9   8.150  -6.743  -4.151
   52   2HB   ALA   9          3HB       ALA   9   9.074  -7.520  -5.444
   53   3HB   ALA   9          2HB       ALA   9   9.909  -6.583  -4.185
   54    H    TRP  10           H        TRP  10  11.539  -7.709  -3.795
   55    HA   TRP  10           HA       TRP  10  12.725  -9.934  -5.159
   56   1HB   TRP  10          1HB       TRP  10  13.559  -7.195  -4.134
   57   2HB   TRP  10          2HB       TRP  10  14.686  -8.293  -4.890
   58    HD1  TRP  10           HD1      TRP  10  11.564  -8.691  -6.747
   59    HE1  TRP  10           HE1      TRP  10  11.625  -7.407  -8.945
   60    HE3  TRP  10           HE3      TRP  10  15.516  -5.621  -5.757
   61    HZ2  TRP  10           HZ2      TRP  10  13.087  -5.181 -10.074
   62    HZ3  TRP  10           HZ3      TRP  10  16.194  -3.871  -7.391
   63    HH2  TRP  10           HH2      TRP  10  14.991  -3.664  -9.551
   64    H    ARG  11           H        ARG  11  11.789 -10.172  -2.174
   65    HA   ARG  11           HA       ARG  11  14.175 -11.264  -0.869
   66   1HB   ARG  11          1HB       ARG  11  11.956 -10.243   0.209
   67   2HB   ARG  11          2HB       ARG  11  11.326 -11.854  -0.082
   68   1HG   ARG  11          1HG       ARG  11  12.068 -11.984   2.097
   69   2HG   ARG  11          2HG       ARG  11  13.450 -12.668   1.255
   70   1HD   ARG  11          1HD       ARG  11  13.232  -9.747   2.092
   71   2HD   ARG  11          2HD       ARG  11  13.898 -10.998   3.122
   72    HE   ARG  11           HE       ARG  11  15.591 -11.469   1.430
   73   1HH1  ARG  11          1HH1      ARG  11  17.343 -10.498   0.446
   74   2HH1  ARG  11          2HH1      ARG  11  17.506  -8.777   0.330
   75   1HH2  ARG  11          1HH2      ARG  11  14.151  -8.195   1.429
   76   2HH2  ARG  11          2HH2      ARG  11  15.625  -7.404   1.019
   77    H    CYS  12           H        CYS  12  12.650 -13.707  -0.129
   78    HA   CYS  12           HA       CYS  12  12.259 -15.788  -0.714
   79   1HB   CYS  12          1HB       CYS  12  11.172 -15.342  -3.329
   80   2HB   CYS  12          2HB       CYS  12  10.432 -15.975  -1.876

  No H/Q in entry =          80
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   6.699 -17.482   2.738
    2    H2   GLY   1           H2       GLY   1   7.514 -17.563   4.160
    3    H3   GLY   1           H3       GLY   1   5.886 -17.822   4.133
    4   1HA   GLY   1          2HA       GLY   1   6.523 -15.631   5.014
    5   2HA   GLY   1          1HA       GLY   1   5.404 -15.600   3.640
    6    H    CYS   2           H        CYS   2   6.411 -13.334   3.688
    7    HA   CYS   2           HA       CYS   2   7.266 -11.767   2.480
    8   1HB   CYS   2          1HB       CYS   2   9.761 -13.310   2.817
    9   2HB   CYS   2          2HB       CYS   2   9.717 -12.118   1.534
   10    H    CYS   3           H        CYS   3   8.107 -14.837   0.683
   11    HA   CYS   3           HA       CYS   3   7.694 -13.936  -1.859
   12   1HB   CYS   3          1HB       CYS   3   6.763 -16.515  -0.561
   13   2HB   CYS   3          2HB       CYS   3   6.434 -16.185  -2.249
   14    H    SER   4           H        SER   4   5.021 -14.504   0.501
   15    HA   SER   4           HA       SER   4   2.949 -13.917  -1.416
   16   1HB   SER   4          1HB       SER   4   1.840 -14.035   1.100
   17   2HB   SER   4          2HB       SER   4   2.041 -15.371  -0.026
   18    HG   SER   4           HG       SER   4   2.797 -15.822   2.084
   19    H    ASN   5           H        ASN   5   5.022 -11.907   0.267
   20    HA   ASN   5           HA       ASN   5   2.892 -10.087   1.254
   21   1HB   ASN   5          1HB       ASN   5   4.369 -11.078   2.894
   22   2HB   ASN   5          2HB       ASN   5   5.778 -10.290   2.135
   23   2HD2  ASN   5          2HD2      ASN   5   5.585  -9.687   4.736
   24   1HD2  ASN   5          1HD2      ASN   5   4.746  -8.174   5.002
   25    HA   PRO   6           HA       PRO   6   4.597  -7.284  -1.933
   26   1HB   PRO   6          1HB       PRO   6   2.666  -5.364  -1.834
   27   2HB   PRO   6          2HB       PRO   6   2.401  -6.968  -2.577
   28   1HG   PRO   6          1HG       PRO   6   1.608  -6.018   0.177
   29   2HG   PRO   6          2HG       PRO   6   0.625  -6.941  -1.004
   30   1HD   PRO   6          1HD       PRO   6   2.000  -8.064   1.100
   31   2HD   PRO   6          2HD       PRO   6   1.686  -8.966  -0.391
   32    H    ARG   7           H        ARG   7   6.050  -7.402   0.206
   33    HA   ARG   7           HA       ARG   7   6.676  -4.642   1.054
   34   1HB   ARG   7          1HB       ARG   7   5.146  -5.810   2.719
   35   2HB   ARG   7          2HB       ARG   7   6.417  -6.999   2.976
   36   1HG   ARG   7          1HG       ARG   7   7.843  -5.458   4.018
   37   2HG   ARG   7          2HG       ARG   7   6.989  -4.052   3.361
   38   1HD   ARG   7          1HD       ARG   7   5.669  -5.985   5.314
   39   2HD   ARG   7          2HD       ARG   7   6.612  -4.584   5.834
   40    HE   ARG   7           HE       ARG   7   4.458  -4.073   3.895
   41   1HH1  ARG   7          1HH1      ARG   7   3.124  -2.266   4.398
   42   2HH1  ARG   7          2HH1      ARG   7   2.960  -1.751   6.037
   43   1HH2  ARG   7          1HH2      ARG   7   5.360  -4.006   7.333
   44   2HH2  ARG   7          2HH2      ARG   7   4.222  -2.777   7.754
   45    H    CYS   8           H        CYS   8   7.666  -7.982   0.347
   46    HA   CYS   8           HA       CYS   8  10.496  -7.142   0.460
   47   1HB   CYS   8          1HB       CYS   8  10.436  -9.880   1.181
   48   2HB   CYS   8          2HB       CYS   8  10.914  -8.530   2.167
   49    H    ALA   9           H        ALA   9   8.416  -7.620  -1.740
   50    HA   ALA   9           HA       ALA   9   8.477 -10.242  -2.650
   51   1HB   ALA   9          1HB       ALA   9   6.812  -8.510  -3.285
   52   2HB   ALA   9          3HB       ALA   9   8.025  -7.792  -4.365
   53   3HB   ALA   9          2HB       ALA   9   7.422  -9.429  -4.675
   54    H    TRP  10           H        TRP  10  11.048  -7.922  -3.259
   55    HA   TRP  10           HA       TRP  10  12.412  -9.220  -5.357
   56   1HB   TRP  10          1HB       TRP  10  13.111  -7.495  -2.976
   57   2HB   TRP  10          2HB       TRP  10  14.334  -8.154  -4.034
   58    HD1  TRP  10           HD1      TRP  10  11.653  -7.373  -6.289
   59    HE1  TRP  10           HE1      TRP  10  12.086  -5.193  -7.535
   60    HE3  TRP  10           HE3      TRP  10  14.992  -5.290  -3.038
   61    HZ2  TRP  10           HZ2      TRP  10  13.572  -2.749  -7.076
   62    HZ3  TRP  10           HZ3      TRP  10  15.810  -2.977  -3.393
   63    HH2  TRP  10           HH2      TRP  10  15.129  -1.708  -5.412
   64    H    ARG  11           H        ARG  11  12.544  -9.703  -1.865
   65    HA   ARG  11           HA       ARG  11  14.593 -11.727  -1.864
   66   1HB   ARG  11          2HB       ARG  11  12.562 -11.025   0.291
   67   2HB   ARG  11          1HB       ARG  11  14.118 -11.818   0.521
   68   1HG   ARG  11          1HG       ARG  11  15.296  -9.726  -0.169
   69   2HG   ARG  11          2HG       ARG  11  13.703  -8.917  -0.287
   70   1HD   ARG  11          1HD       ARG  11  13.225  -9.741   2.049
   71   2HD   ARG  11          2HD       ARG  11  14.931 -10.227   2.169
   72    HE   ARG  11           HE       ARG  11  15.047  -7.587   1.411
   73   1HH1  ARG  11          1HH1      ARG  11  15.334  -5.943   3.046
   74   2HH1  ARG  11          2HH1      ARG  11  14.518  -6.063   4.576
   75   1HH2  ARG  11          1HH2      ARG  11  13.481  -9.415   4.036
   76   2HH2  ARG  11          2HH2      ARG  11  13.482  -8.116   5.178
   77    H    CYS  12           H        CYS  12  13.656 -13.577  -0.109
   78    HA   CYS  12           HA       CYS  12  12.435 -15.402   0.371
   79   1HB   CYS  12          1HB       CYS  12  10.399 -14.163   0.041
   80   2HB   CYS  12          2HB       CYS  12  10.417 -14.575  -1.684

  No H/Q in entry =          80
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1   4.071 -12.810   6.142
    2    H2   GLY   1           H2       GLY   1   4.187 -14.371   6.666
    3    H3   GLY   1           H3       GLY   1   5.503 -13.369   6.729
    4   1HA   GLY   1          2HA       GLY   1   4.188 -14.352   4.293
    5   2HA   GLY   1          1HA       GLY   1   5.765 -14.870   4.926
    6    H    CYS   2           H        CYS   2   6.653 -14.125   2.800
    7    HA   CYS   2           HA       CYS   2   7.272 -11.217   2.952
    8   1HB   CYS   2          1HB       CYS   2   8.990 -13.589   3.261
    9   2HB   CYS   2          2HB       CYS   2   9.539 -12.519   2.001
   10    H    CYS   3           H        CYS   3   7.552 -14.083   0.698
   11    HA   CYS   3           HA       CYS   3   7.466 -12.406  -1.646
   12   1HB   CYS   3          2HB       CYS   3   6.615 -15.259  -1.822
   13   2HB   CYS   3          1HB       CYS   3   7.755 -14.353  -2.788
   14    H    SER   4           H        SER   4   5.240 -14.400   0.244
   15    HA   SER   4           HA       SER   4   2.870 -14.023  -1.358
   16   1HB   SER   4          1HB       SER   4   1.868 -15.209   0.672
   17   2HB   SER   4          2HB       SER   4   3.153 -16.073  -0.168
   18    HG   SER   4           HG       SER   4   3.270 -15.992   2.181
   19    H    ASN   5           H        ASN   5   4.265 -11.547  -0.374
   20    HA   ASN   5           HA       ASN   5   2.131 -10.058   0.931
   21   1HB   ASN   5          1HB       ASN   5   3.441 -11.134   2.654
   22   2HB   ASN   5          2HB       ASN   5   4.960 -10.533   1.988
   23   2HD2  ASN   5          2HD2      ASN   5   4.790  -9.999   4.527
   24   1HD2  ASN   5          1HD2      ASN   5   4.257  -8.345   4.845
   25    HA   PRO   6           HA       PRO   6   4.502  -7.334  -1.921
   26   1HB   PRO   6          1HB       PRO   6   3.034  -5.045  -1.688
   27   2HB   PRO   6          2HB       PRO   6   2.488  -6.464  -2.617
   28   1HG   PRO   6          2HG       PRO   6   1.665  -5.646   0.162
   29   2HG   PRO   6          1HG       PRO   6   0.643  -6.276  -1.171
   30   1HD   PRO   6          1HD       PRO   6   1.642  -7.782   0.935
   31   2HD   PRO   6          2HD       PRO   6   1.220  -8.510  -0.618
   32    H    ARG   7           H        ARG   7   6.088  -7.840  -0.132
   33    HA   ARG   7           HA       ARG   7   6.924  -5.354   1.233
   34   1HB   ARG   7          1HB       ARG   7   5.629  -6.693   2.866
   35   2HB   ARG   7          2HB       ARG   7   6.650  -8.089   2.573
   36   1HG   ARG   7          1HG       ARG   7   8.638  -6.781   3.390
   37   2HG   ARG   7          2HG       ARG   7   7.578  -5.421   3.761
   38   1HD   ARG   7          1HD       ARG   7   7.081  -8.211   4.879
   39   2HD   ARG   7          2HD       ARG   7   8.225  -7.106   5.647
   40    HE   ARG   7           HE       ARG   7   6.077  -5.502   5.466
   41   1HH1  ARG   7          1HH1      ARG   7   4.587  -5.164   6.967
   42   2HH1  ARG   7          2HH1      ARG   7   4.121  -6.349   8.161
   43   1HH2  ARG   7          1HH2      ARG   7   6.375  -8.810   6.842
   44   2HH2  ARG   7          2HH2      ARG   7   5.271  -8.433   8.130
   45    H    CYS   8           H        CYS   8   8.061  -8.768   1.308
   46    HA   CYS   8           HA       CYS   8  10.743  -7.696   0.813
   47   1HB   CYS   8          1HB       CYS   8  10.496 -10.553   1.443
   48   2HB   CYS   8          2HB       CYS   8  11.533  -9.351   2.170
   49    H    ALA   9           H        ALA   9   8.513  -8.674  -1.060
   50    HA   ALA   9           HA       ALA   9   9.070 -11.041  -2.248
   51   1HB   ALA   9          1HB       ALA   9   6.947  -9.844  -2.485
   52   2HB   ALA   9          2HB       ALA   9   7.729  -8.650  -3.551
   53   3HB   ALA   9          3HB       ALA   9   7.555 -10.336  -4.073
   54    H    TRP  10           H        TRP  10  10.951  -8.168  -2.910
   55    HA   TRP  10           HA       TRP  10  12.018  -8.715  -5.456
   56   1HB   TRP  10          1HB       TRP  10  13.053  -7.426  -2.870
   57   2HB   TRP  10          2HB       TRP  10  13.935  -7.497  -4.363
   58    HD1  TRP  10           HD1      TRP  10  10.320  -6.582  -4.739
   59    HE1  TRP  10           HE1      TRP  10  10.137  -4.111  -5.429
   60    HE3  TRP  10           HE3      TRP  10  15.113  -5.216  -3.852
   61    HZ2  TRP  10           HZ2      TRP  10  11.891  -1.774  -5.421
   62    HZ3  TRP  10           HZ3      TRP  10  15.866  -2.855  -4.173
   63    HH2  TRP  10           HH2      TRP  10  14.249  -1.133  -4.965
   64    H    ARG  11           H        ARG  11  13.472  -9.361  -2.245
   65    HA   ARG  11           HA       ARG  11  15.000 -11.650  -3.164
   66   1HB   ARG  11          1HB       ARG  11  14.676 -10.157  -0.543
   67   2HB   ARG  11          2HB       ARG  11  15.458 -11.733  -0.532
   68   1HG   ARG  11          1HG       ARG  11  16.377  -9.558  -2.423
   69   2HG   ARG  11          2HG       ARG  11  16.975  -9.682  -0.764
   70   1HD   ARG  11          1HD       ARG  11  17.791 -11.976  -1.194
   71   2HD   ARG  11          2HD       ARG  11  17.145 -11.915  -2.835
   72    HE   ARG  11           HE       ARG  11  18.844 -10.574  -3.541
   73   1HH1  ARG  11          1HH1      ARG  11  20.932  -9.655  -3.420
   74   2HH1  ARG  11          2HH1      ARG  11  21.743  -9.461  -1.907
   75   1HH2  ARG  11          1HH2      ARG  11  19.201 -10.974   0.025
   76   2HH2  ARG  11          2HH2      ARG  11  20.634  -9.972   0.045
   77    H    CYS  12           H        CYS  12  12.022 -11.771  -3.274
   78    HA   CYS  12           HA       CYS  12  10.196 -13.049  -2.625
   79   1HB   CYS  12          1HB       CYS  12  11.794 -14.835  -3.516
   80   2HB   CYS  12          2HB       CYS  12  12.183 -15.201  -1.856

  No H/Q in entry =          80