*HEADER    PROTEASE INHIBITOR                      09-DEC-02   1O8Z
*TITLE     SOLUTION STRUCTURE OF SFTI-1(6,5), AN ACYCLIC PERMUTANT OF
*TITLE    2 THE PROTEINASE INHIBITOR SFTI-1, CIS-TRANS-TRANS CONFORMER
*TITLE    3 (CT-A)
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CYCLIC TRYPSIN INHIBITOR;
*COMPND   3 SYNOYM: SFTI-1;
*COMPND   4 CHAIN: A;
*COMPND   5 OTHER_DETAILS: ACYCLIC PERMUTANT OF SFTI-1, OPEN BETWEEN
*COMPND   6  RESIDUES K5 AND S6
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS L.;
*SOURCE   4 ORGANISM_COMMON: SUNFLOWER;
*SOURCE   5 TISSUE: SEED
*KEYWDS    BOWMAN-BIRK INHIBITOR, SFTI-1, ACYCLIC PERMUTANT
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    U.C.MARX,D.J.CRAIK
*REVDAT   1   04-FEB-03 1O8Z    0




!NOE restraints:
assign (resid 13 and name HN) (resid 5 and name HN)  0.0 0.0 3.5
assign (resid 7 and name HN) (resid 11 and name HN)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 14 and name HN)  0.0 0.0 5.0
assign (resid 10 and name HN) (resid 9 and name HN)  0.0 0.0 2.7
assign (resid 10 and name HN) (resid 11 and name HN)  0.0 0.0 2.7
assign (resid 11 and name HN) (resid 12 and name HN)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 7 and name HN)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HN)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 12 and name HA)  0.0 0.0 2.7
assign (resid 7 and name HN) (resid 12 and name HA)  0.0 0.0 3.5
assign (resid 7 and name HN) (resid 6 and name HA)  0.0 0.0 2.7
assign (resid 6 and name HN) (resid 12 and name HA)  0.0 0.0 5.0
assign (resid 10 and name HN) (resid 9 and name HA)  0.0 0.0 3.5
assign (resid 12 and name HN) (resid 11 and name HA)  0.0 0.0 2.7
assign (resid 14 and name HN) (resid 13 and name HB)  0.0 0.0 3.5
assign (resid 14 and name HN) (resid 13 and name HA)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HA)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 8 and name HD2)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 8 and name HD1)  0.0 0.0 3.5
assign (resid 7 and name HD*) (resid 5 and name HG2*)  0.0 0.0 3.5
assign (resid 7 and name HE*) (resid 5 and name HG2*)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 13 and name HG2*)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 11 and name HB2)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 11 and name HB1)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 12 and name HA)  0.0 0.0 5.0
assign (resid 7 and name HD*) (resid 6 and name HA)  0.0 0.0 5.0
assign (resid 11 and name HN) (resid 10 and name HA2)  0.0 0.0 3.5
assign (resid 11 and name HN) (resid 10 and name HA1)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HD2)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HA)  0.0 0.0 2.7
assign (resid 2 and name HN) (resid 3 and name HD2)  0.0 0.0 5.0
assign (resid 13 and name HN) (resid 12 and name HB2)  0.0 0.0 3.5
assign (resid 13 and name HN) (resid 12 and name HB1)  0.0 0.0 5.0
assign (resid 9 and name HN) (resid 8 and name HB1)  0.0 0.0 5.0
assign (resid 9 and name HN) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 7 and name HB2)  0.0 0.0 3.5
assign (resid 11 and name HN) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 11 and name HN) (resid 7 and name HB1)  0.0 0.0 5.0
assign (resid 7 and name HN) (resid 6 and name HB*)  0.0 0.0 3.5
assign (resid 6 and name HN) (resid 5 and name HB)  0.0 0.0 5.0
assign (resid 6 and name HN) (resid 5 and name HG2*)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HB2)  0.0 0.0 3.5
assign (resid 9 and name HN) (resid 8 and name HG1)  0.0 0.0 5.0
assign (resid 14 and name HN) (resid 13 and name HG2*)  0.0 0.0 5.0
assign (resid 12 and name HN) (resid 11 and name HG*)  0.0 0.0 5.0
assign (resid 12 and name HA) (resid 6 and name HA)  0.0 0.0 3.5
assign (resid 12 and name HA) (resid 6 and name HB*)  0.0 0.0 5.0
assign (resid 6 and name HA) (resid 12 and name HB2)  0.0 0.0 5.0
assign (resid 7 and name HA) (resid 8 and name HD2)  0.0 0.0 3.5
assign (resid 7 and name HA) (resid 8 and name HD1)  0.0 0.0 2.7
assign (resid 10 and name HN) (resid 8 and name HA)  0.0 0.0 3.5
assign (resid 8 and name HD1) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 8 and name HD2) (resid 7 and name HB1)  0.0 0.0 3.5
assign (resid 8 and name HD1) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 8 and name HD2) (resid 7 and name HB2)  0.0 0.0 5.0
assign (resid 5 and name HA) (resid 6 and name HB*)  0.0 0.0 5.0
assign (resid 5 and name HN) (resid 4 and name HA)  0.0 0.0 2.7
assign (resid 2 and name HN) (resid 1 and name HA)  0.0 0.0 3.5
assign (resid 2 and name HN) (resid 1 and name HB*)  0.0 0.0 5.0
assign (resid 2 and name HG2*) (resid 3 and name HA)  0.0 0.0 5.0
assign (resid 3 and name HA) (resid 2 and name HA)  0.0 0.0 3.5
assign (resid 3 and name HA) (resid 4 and name HD1)  0.0 0.0 3.5
assign (resid 3 and name HA) (resid 4 and name HD2)  0.0 0.0 5.0
assign  (resid 11 and name c)  (resid 12 and name n)
!Dihedral angle restraints:
(resid 12 and name ca)  (resid 12 and name c)  10 -120.0 40.0 2
assign  (resid 5 and name c)  (resid 6 and name n)
(resid 6 and name ca)  (resid 6 and name c)  10 -120.0 40.0 2
assign  (resid 4 and name c)  (resid 5 and name n)
(resid 5 and name ca)  (resid 5 and name c)  10 -120.0 40.0 2
assign  (resid 12 and name n)  (resid 12 and name ca)
(resid 12 and name cb)  (resid 12 and name sg)  10 -60.0 30.0 2
assign  (resid 7 and name n)  (resid 7 and name ca)
(resid 7 and name cb)  (resid 7 and name cg)  10 -60.0 30.0 2
assign  (resid 9 and name n)  (resid 9 and name ca)
(resid 9 and name cb)  (resid 9 and name cg)  10 60.0 30.0 2
!H-bonds:
assign (resid  5 and name hn ) (resid   13 and name og1) 0.0 0.0 2.3
assign (resid  5 and name n  ) (resid   13 and name og1) 0.0 0.0 3.1

assign (resid  10 and name hn ) (resid   7 and name o) 0.0 0.0 2.3
assign (resid  10 and name n  ) (resid   7 and name o) 0.0 0.0 3.1

assign (resid  7 and name hn ) (resid   11 and name o) 0.0 0.0 2.3
assign (resid  7 and name n  ) (resid   11 and name o) 0.0 0.0 3.1

assign (resid  11 and name hn ) (resid   9 and name od1) 0.0 0.0 2.3
assign (resid  11 and name n  ) (resid   9 and name od1) 0.0 0.0 3.1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   6           H1       SER   6  -6.451  -2.620  -9.318
    2    H2   SER   6           H2       SER   6  -6.286  -1.920  -7.782
    3    H3   SER   6           H3       SER   6  -6.468  -0.930  -9.150
    4    HA   SER   6           HA       SER   6  -4.319  -1.374  -9.928
    5   1HB   SER   6          1HB       SER   6  -3.150  -1.261  -7.448
    6   2HB   SER   6          2HB       SER   6  -3.885   0.122  -8.258
    7    HG   SER   6           HG       SER   6  -4.878  -1.489  -6.201
    8    H    ILE   7           H        ILE   7  -5.349  -3.972 -10.027
    9    HA   ILE   7           HA       ILE   7  -2.977  -5.544  -9.239
   10    HB   ILE   7           HB       ILE   7  -4.309  -5.593  -7.215
   11   1HG1  ILE   7          1HG1      ILE   7  -4.728  -8.119  -8.843
   12   2HG1  ILE   7          2HG1      ILE   7  -3.308  -7.737  -7.869
   13   1HG2  ILE   7          1HG2      ILE   7  -6.433  -4.928  -8.515
   14   2HG2  ILE   7          2HG2      ILE   7  -6.636  -6.653  -8.826
   15   3HG2  ILE   7          3HG2      ILE   7  -6.640  -6.049  -7.169
   16   1HD1  ILE   7          1HD1      ILE   7  -4.750  -7.637  -5.847
   17   2HD1  ILE   7          2HD1      ILE   7  -6.140  -8.085  -6.836
   18   3HD1  ILE   7          3HD1      ILE   7  -4.809  -9.222  -6.617
   19    HA   PRO   8           HA       PRO   8  -1.692  -6.085 -10.666
   20   1HB   PRO   8          1HB       PRO   8  -1.456  -5.130 -13.370
   21   2HB   PRO   8          2HB       PRO   8  -0.715  -6.564 -12.654
   22   1HG   PRO   8          1HG       PRO   8  -2.870  -6.451 -14.550
   23   2HG   PRO   8          2HG       PRO   8  -2.130  -7.884 -13.832
   24   1HD   PRO   8          1HD       PRO   8  -4.744  -6.779 -13.294
   25   2HD   PRO   8          2HD       PRO   8  -4.000  -8.226 -12.573
   26    HA   PRO   9           HA       PRO   9  -2.431  -1.801  -9.927
   27   1HB   PRO   9          1HB       PRO   9   0.266  -1.021 -10.556
   28   2HB   PRO   9          2HB       PRO   9  -0.450  -1.276  -8.962
   29   1HG   PRO   9          1HG       PRO   9   1.464  -2.931 -10.322
   30   2HG   PRO   9          2HG       PRO   9   0.749  -3.185  -8.729
   31   1HD   PRO   9          1HD       PRO   9   0.226  -4.652 -11.160
   32   2HD   PRO   9          2HD       PRO   9  -0.496  -4.908  -9.554
   33    H    ILE  10           H        ILE  10  -2.683   0.211 -11.104
   34    HA   ILE  10           HA       ILE  10  -2.240  -0.052 -14.060
   35    HB   ILE  10           HB       ILE  10  -4.281   1.594 -12.532
   36   1HG1  ILE  10          1HG1      ILE  10  -4.746  -0.717 -12.059
   37   2HG1  ILE  10          2HG1      ILE  10  -5.864  -0.226 -13.332
   38   1HG2  ILE  10          1HG2      ILE  10  -3.587   2.175 -14.955
   39   2HG2  ILE  10          2HG2      ILE  10  -4.395   0.673 -15.404
   40   3HG2  ILE  10          3HG2      ILE  10  -5.308   1.969 -14.631
   41   1HD1  ILE  10          1HD1      ILE  10  -3.684  -1.060 -14.785
   42   2HD1  ILE  10          2HD1      ILE  10  -3.657  -2.176 -13.419
   43   3HD1  ILE  10          3HD1      ILE  10  -5.095  -2.059 -14.434
   44    H    CYS  11           H        CYS  11  -1.144   1.620 -15.091
   45    HA   CYS  11           HA       CYS  11  -0.028   3.767 -13.339
   46   1HB   CYS  11          1HB       CYS  11   0.764   2.445 -15.938
   47   2HB   CYS  11          2HB       CYS  11   1.525   3.944 -15.407
   48    H    PHE  12           H        PHE  12  -0.026   5.974 -14.155
   49    HA   PHE  12           HA       PHE  12  -2.146   6.495 -16.216
   50   1HB   PHE  12          1HB       PHE  12  -1.344   8.167 -13.813
   51   2HB   PHE  12          2HB       PHE  12  -2.726   8.446 -14.873
   52    HD1  PHE  12           HD1      PHE  12  -3.793   5.738 -15.262
   53    HD2  PHE  12           HD2      PHE  12  -2.247   7.602 -11.714
   54    HE1  PHE  12           HE1      PHE  12  -5.170   4.221 -13.865
   55    HE2  PHE  12           HE2      PHE  12  -3.624   6.084 -10.317
   56    HZ   PHE  12           HZ       PHE  12  -5.086   4.394 -11.392
   57    HA   PRO  13           HA       PRO  13   0.756   8.793 -18.584
   58   1HB   PRO  13          1HB       PRO  13  -0.966  11.069 -18.940
   59   2HB   PRO  13          2HB       PRO  13  -0.665   9.746 -20.069
   60   1HG   PRO  13          1HG       PRO  13  -3.046  10.259 -18.545
   61   2HG   PRO  13          2HG       PRO  13  -2.744   8.936 -19.674
   62   1HD   PRO  13          1HD       PRO  13  -2.918   8.804 -16.794
   63   2HD   PRO  13          2HD       PRO  13  -2.614   7.470 -17.932
   64    H    ASP  14           H        ASP  14  -0.582  10.031 -15.669
   65    HA   ASP  14           HA       ASP  14   0.812  12.566 -15.550
   66   1HB   ASP  14          1HB       ASP  14   0.143  12.410 -13.161
   67   2HB   ASP  14          2HB       ASP  14  -1.193  11.996 -14.235
   68    H    GLY   1           H        GLY   1   1.977   9.416 -15.510
   69   1HA   GLY   1          1HA       GLY   1   4.579  10.320 -14.477
   70   2HA   GLY   1          2HA       GLY   1   4.247   8.757 -15.224
   71    H    ARG   2           H        ARG   2   1.810   8.630 -13.310
   72    HA   ARG   2           HA       ARG   2   3.370   7.712 -10.916
   73   1HB   ARG   2          1HB       ARG   2   0.688   9.113 -11.131
   74   2HB   ARG   2          2HB       ARG   2   1.323   8.437  -9.631
   75   1HG   ARG   2          1HG       ARG   2   3.370   9.878  -9.943
   76   2HG   ARG   2          2HG       ARG   2   2.552  10.647 -11.303
   77   1HD   ARG   2          1HD       ARG   2   0.661  11.244  -9.743
   78   2HD   ARG   2          2HD       ARG   2   1.647  10.632  -8.402
   79    HE   ARG   2           HE       ARG   2   2.825  12.673 -10.231
   80   1HH1  ARG   2          1HH1      ARG   2   0.748  13.601  -8.135
   81   2HH1  ARG   2          2HH1      ARG   2   1.801  14.109  -6.857
   82   1HH2  ARG   2          1HH2      ARG   2   4.586  12.504  -8.158
   83   2HH2  ARG   2          2HH2      ARG   2   3.975  13.488  -6.870
   84    H    CYS   3           H        CYS   3   2.787   5.676 -10.126
   85    HA   CYS   3           HA       CYS   3   0.607   4.244 -11.613
   86   1HB   CYS   3          1HB       CYS   3   3.279   3.345 -10.496
   87   2HB   CYS   3          2HB       CYS   3   2.062   2.224 -11.107
   88    H    THR   4           H        THR   4  -0.465   2.517 -10.310
   89    HA   THR   4           HA       THR   4  -0.826   3.397  -7.492
   90    HB   THR   4           HB       THR   4  -2.894   2.128  -7.668
   91    HG1  THR   4           HG1      THR   4  -1.952   0.383  -8.853
   92   1HG2  THR   4          1HG2      THR   4  -2.249   3.668 -10.195
   93   2HG2  THR   4          2HG2      THR   4  -3.876   3.178  -9.724
   94   3HG2  THR   4          3HG2      THR   4  -2.970   4.310  -8.720
   95    H    LYS   5           H        LYS   5  -1.062   1.606  -5.839
   96    HA   LYS   5           HA       LYS   5   0.671  -0.758  -6.470
   97   1HB   LYS   5          1HB       LYS   5   1.895   1.045  -5.271
   98   2HB   LYS   5          2HB       LYS   5   0.693   0.983  -3.982
   99   1HG   LYS   5          1HG       LYS   5   1.265  -1.411  -3.605
  100   2HG   LYS   5          2HG       LYS   5   2.518  -1.284  -4.840
  101   1HD   LYS   5          1HD       LYS   5   3.605   0.519  -3.516
  102   2HD   LYS   5          2HD       LYS   5   2.378   0.317  -2.266
  103   1HE   LYS   5          1HE       LYS   5   3.305  -2.281  -2.695
  104   2HE   LYS   5          2HE       LYS   5   4.771  -1.285  -2.767
  105   1HZ   LYS   5          1HZ       LYS   5   3.823  -0.104  -0.752
  106   2HZ   LYS   5          2HZ       LYS   5   2.728  -1.392  -0.617
  107   3HZ   LYS   5          3HZ       LYS   5   4.397  -1.681  -0.488

  No H/Q in entry =         107
  Start of MODEL    2
    1    H1   SER   6           H1       SER   6  -4.121  -1.954 -10.343
    2    H2   SER   6           H2       SER   6  -5.496  -2.017  -9.351
    3    H3   SER   6           H3       SER   6  -4.582  -0.588  -9.443
    4    HA   SER   6           HA       SER   6  -2.854  -1.431  -8.167
    5   1HB   SER   6          1HB       SER   6  -5.508  -2.608  -7.287
    6   2HB   SER   6          2HB       SER   6  -4.102  -2.459  -6.234
    7    HG   SER   6           HG       SER   6  -4.199  -0.141  -7.016
    8    H    ILE   7           H        ILE   7  -4.709  -3.892  -9.808
    9    HA   ILE   7           HA       ILE   7  -2.447  -5.700  -9.923
   10    HB   ILE   7           HB       ILE   7  -3.091  -6.007  -7.579
   11   1HG1  ILE   7          1HG1      ILE   7  -4.220  -8.502  -8.202
   12   2HG1  ILE   7          2HG1      ILE   7  -3.221  -8.092  -9.596
   13   1HG2  ILE   7          1HG2      ILE   7  -5.702  -5.628  -8.632
   14   2HG2  ILE   7          2HG2      ILE   7  -5.662  -7.247  -7.935
   15   3HG2  ILE   7          3HG2      ILE   7  -5.245  -5.849  -6.943
   16   1HD1  ILE   7          1HD1      ILE   7  -1.794  -7.377  -7.214
   17   2HD1  ILE   7          2HD1      ILE   7  -2.364  -9.037  -7.047
   18   3HD1  ILE   7          3HD1      ILE   7  -1.363  -8.584  -8.425
   19    HA   PRO   8           HA       PRO   8  -1.755  -6.005 -11.771
   20   1HB   PRO   8          1HB       PRO   8  -2.363  -4.604 -14.210
   21   2HB   PRO   8          2HB       PRO   8  -1.537  -6.152 -14.022
   22   1HG   PRO   8          1HG       PRO   8  -4.185  -5.677 -15.026
   23   2HG   PRO   8          2HG       PRO   8  -3.358  -7.225 -14.837
   24   1HD   PRO   8          1HD       PRO   8  -5.552  -6.184 -13.274
   25   2HD   PRO   8          2HD       PRO   8  -4.721  -7.746 -13.085
   26    HA   PRO   9           HA       PRO   9  -1.976  -1.921 -10.104
   27   1HB   PRO   9          1HB       PRO   9   0.541  -1.154 -11.267
   28   2HB   PRO   9          2HB       PRO   9   0.219  -1.664  -9.607
   29   1HG   PRO   9          1HG       PRO   9   1.592  -3.122 -11.667
   30   2HG   PRO   9          2HG       PRO   9   1.267  -3.633 -10.009
   31   1HD   PRO   9          1HD       PRO   9   0.040  -4.605 -12.436
   32   2HD   PRO   9          2HD       PRO   9  -0.283  -5.123 -10.765
   33    H    ILE  10           H        ILE  10  -2.769   0.054 -10.857
   34    HA   ILE  10           HA       ILE  10  -2.984   0.383 -13.806
   35    HB   ILE  10           HB       ILE  10  -4.289   1.833 -11.477
   36   1HG1  ILE  10          1HG1      ILE  10  -5.353  -0.396 -13.241
   37   2HG1  ILE  10          2HG1      ILE  10  -4.808  -0.603 -11.576
   38   1HG2  ILE  10          1HG2      ILE  10  -4.574   1.949 -14.461
   39   2HG2  ILE  10          2HG2      ILE  10  -6.001   2.206 -13.458
   40   3HG2  ILE  10          3HG2      ILE  10  -4.599   3.263 -13.286
   41   1HD1  ILE  10          1HD1      ILE  10  -6.518   1.393 -11.144
   42   2HD1  ILE  10          2HD1      ILE  10  -7.255   0.768 -12.619
   43   3HD1  ILE  10          3HD1      ILE  10  -7.072  -0.279 -11.211
   44    H    CYS  11           H        CYS  11  -1.939   2.049 -14.874
   45    HA   CYS  11           HA       CYS  11  -0.392   3.996 -13.192
   46   1HB   CYS  11          1HB       CYS  11   0.204   2.567 -15.793
   47   2HB   CYS  11          2HB       CYS  11   1.152   3.947 -15.241
   48    H    PHE  12           H        PHE  12  -0.242   6.167 -14.050
   49    HA   PHE  12           HA       PHE  12  -2.380   6.821 -16.052
   50   1HB   PHE  12          1HB       PHE  12  -1.212   8.447 -13.768
   51   2HB   PHE  12          2HB       PHE  12  -2.543   8.949 -14.811
   52    HD1  PHE  12           HD1      PHE  12  -3.921   6.264 -15.076
   53    HD2  PHE  12           HD2      PHE  12  -2.334   8.328 -11.660
   54    HE1  PHE  12           HE1      PHE  12  -5.522   5.065 -13.609
   55    HE2  PHE  12           HE2      PHE  12  -3.935   7.130 -10.193
   56    HZ   PHE  12           HZ       PHE  12  -5.529   5.499 -11.167
   57    HA   PRO  13           HA       PRO  13   0.567   8.649 -18.750
   58   1HB   PRO  13          1HB       PRO  13  -0.829  11.150 -19.028
   59   2HB   PRO  13          2HB       PRO  13  -0.835   9.771 -20.131
   60   1HG   PRO  13          1HG       PRO  13  -2.957  10.669 -18.417
   61   2HG   PRO  13          2HG       PRO  13  -2.963   9.289 -19.517
   62   1HD   PRO  13          1HD       PRO  13  -2.875   9.255 -16.630
   63   2HD   PRO  13          2HD       PRO  13  -2.885   7.863 -17.740
   64    H    ASP  14           H        ASP  14  -0.268  10.112 -15.761
   65    HA   ASP  14           HA       ASP  14   1.580  12.374 -15.908
   66   1HB   ASP  14          1HB       ASP  14   0.959  12.551 -13.502
   67   2HB   ASP  14          2HB       ASP  14  -0.460  12.374 -14.535
   68    H    GLY   1           H        GLY   1   2.064   9.072 -15.653
   69   1HA   GLY   1          1HA       GLY   1   4.813   9.471 -14.690
   70   2HA   GLY   1          2HA       GLY   1   4.143   7.965 -15.318
   71    H    ARG   2           H        ARG   2   1.777   8.212 -13.488
   72    HA   ARG   2           HA       ARG   2   3.163   7.427 -10.944
   73   1HB   ARG   2          1HB       ARG   2   0.520   8.860 -11.372
   74   2HB   ARG   2          2HB       ARG   2   1.196   8.420  -9.803
   75   1HG   ARG   2          1HG       ARG   2   3.197   9.814 -10.308
   76   2HG   ARG   2          2HG       ARG   2   2.449  10.299 -11.830
   77   1HD   ARG   2          1HD       ARG   2   0.482  11.168 -10.478
   78   2HD   ARG   2          2HD       ARG   2   1.453  10.884  -9.021
   79    HE   ARG   2           HE       ARG   2   1.813  13.092 -10.797
   80   1HH1  ARG   2          1HH1      ARG   2   3.278  11.243  -8.386
   81   2HH1  ARG   2          2HH1      ARG   2   4.875  11.864  -8.644
   82   1HH2  ARG   2          1HH2      ARG   2   4.013  13.630 -11.501
   83   2HH2  ARG   2          2HH2      ARG   2   5.290  13.215 -10.408
   84    H    CYS   3           H        CYS   3   2.424   5.509 -10.001
   85    HA   CYS   3           HA       CYS   3   0.166   4.104 -11.393
   86   1HB   CYS   3          1HB       CYS   3   2.810   3.056 -10.329
   87   2HB   CYS   3          2HB       CYS   3   1.520   2.033 -10.962
   88    H    THR   4           H        THR   4  -0.963   2.527  -9.983
   89    HA   THR   4           HA       THR   4  -1.140   3.511  -7.190
   90    HB   THR   4           HB       THR   4  -3.207   2.102  -7.232
   91    HG1  THR   4           HG1      THR   4  -2.624   0.501  -8.629
   92   1HG2  THR   4          1HG2      THR   4  -2.598   4.300  -9.102
   93   2HG2  THR   4          2HG2      THR   4  -4.037   3.366  -9.509
   94   3HG2  THR   4          3HG2      THR   4  -3.909   4.147  -7.933
   95    H    LYS   5           H        LYS   5  -1.227   1.891  -5.415
   96    HA   LYS   5           HA       LYS   5  -0.005  -0.753  -5.975
   97   1HB   LYS   5          1HB       LYS   5   1.874   0.815  -5.754
   98   2HB   LYS   5          2HB       LYS   5   1.228   1.394  -4.217
   99   1HG   LYS   5          1HG       LYS   5   1.477  -0.871  -3.262
  100   2HG   LYS   5          2HG       LYS   5   2.127  -1.446  -4.797
  101   1HD   LYS   5          1HD       LYS   5   3.964   0.241  -4.595
  102   2HD   LYS   5          2HD       LYS   5   3.345   0.674  -3.002
  103   1HE   LYS   5          1HE       LYS   5   3.522  -2.069  -2.801
  104   2HE   LYS   5          2HE       LYS   5   4.925  -1.679  -3.815
  105   1HZ   LYS   5          1HZ       LYS   5   5.054   0.307  -2.081
  106   2HZ   LYS   5          2HZ       LYS   5   4.310  -0.842  -1.080
  107   3HZ   LYS   5          3HZ       LYS   5   5.814  -1.185  -1.792

  No H/Q in entry =         107
  Start of MODEL    3
    1    H1   SER   6           H1       SER   6  -5.322  -3.027  -7.373
    2    H2   SER   6           H2       SER   6  -5.459  -1.338  -7.435
    3    H3   SER   6           H3       SER   6  -6.084  -2.287  -8.698
    4    HA   SER   6           HA       SER   6  -4.116  -1.592  -9.645
    5   1HB   SER   6          1HB       SER   6  -2.456  -2.015  -7.231
    6   2HB   SER   6          2HB       SER   6  -2.488  -0.648  -8.345
    7    HG   SER   6           HG       SER   6  -3.430  -0.592  -6.002
    8    H    ILE   7           H        ILE   7  -5.147  -4.144  -9.768
    9    HA   ILE   7           HA       ILE   7  -2.673  -5.797  -9.847
   10    HB   ILE   7           HB       ILE   7  -4.014  -7.642  -8.730
   11   1HG1  ILE   7          1HG1      ILE   7  -5.824  -5.831  -7.379
   12   2HG1  ILE   7          2HG1      ILE   7  -6.102  -5.786  -9.121
   13   1HG2  ILE   7          1HG2      ILE   7  -3.518  -5.075  -7.192
   14   2HG2  ILE   7          2HG2      ILE   7  -3.774  -6.653  -6.447
   15   3HG2  ILE   7          3HG2      ILE   7  -2.358  -6.376  -7.461
   16   1HD1  ILE   7          1HD1      ILE   7  -5.823  -8.396  -7.622
   17   2HD1  ILE   7          2HD1      ILE   7  -7.379  -7.580  -7.787
   18   3HD1  ILE   7          3HD1      ILE   7  -6.511  -8.124  -9.223
   19    HA   PRO   8           HA       PRO   8  -1.658  -6.051 -11.541
   20   1HB   PRO   8          1HB       PRO   8  -1.821  -4.586 -14.012
   21   2HB   PRO   8          2HB       PRO   8  -1.032  -6.137 -13.717
   22   1HG   PRO   8          1HG       PRO   8  -3.452  -5.640 -15.178
   23   2HG   PRO   8          2HG       PRO   8  -2.669  -7.192 -14.875
   24   1HD   PRO   8          1HD       PRO   8  -5.116  -6.184 -13.716
   25   2HD   PRO   8          2HD       PRO   8  -4.333  -7.754 -13.423
   26    HA   PRO   9           HA       PRO   9  -2.005  -1.963  -9.941
   27   1HB   PRO   9          1HB       PRO   9   0.468  -1.029 -11.075
   28   2HB   PRO   9          2HB       PRO   9   0.168  -1.583  -9.426
   29   1HG   PRO   9          1HG       PRO   9   1.635  -2.925 -11.500
   30   2HG   PRO   9          2HG       PRO   9   1.333  -3.481  -9.851
   31   1HD   PRO   9          1HD       PRO   9   0.179  -4.484 -12.301
   32   2HD   PRO   9          2HD       PRO   9  -0.122  -5.047 -10.641
   33    H    ILE  10           H        ILE  10  -2.381   0.273 -10.635
   34    HA   ILE  10           HA       ILE  10  -2.845   0.510 -13.588
   35    HB   ILE  10           HB       ILE  10  -4.133   1.932 -11.233
   36   1HG1  ILE  10          1HG1      ILE  10  -5.168  -0.331 -12.971
   37   2HG1  ILE  10          2HG1      ILE  10  -4.623  -0.502 -11.302
   38   1HG2  ILE  10          1HG2      ILE  10  -4.469   2.046 -14.211
   39   2HG2  ILE  10          2HG2      ILE  10  -5.888   2.266 -13.187
   40   3HG2  ILE  10          3HG2      ILE  10  -4.511   3.356 -13.031
   41   1HD1  ILE  10          1HD1      ILE  10  -6.676   1.589 -11.853
   42   2HD1  ILE  10          2HD1      ILE  10  -7.203  -0.092 -11.919
   43   3HD1  ILE  10          3HD1      ILE  10  -6.483   0.548 -10.442
   44    H    CYS  11           H        CYS  11  -1.843   2.195 -14.664
   45    HA   CYS  11           HA       CYS  11  -0.390   4.230 -13.000
   46   1HB   CYS  11          1HB       CYS  11   0.424   2.677 -15.470
   47   2HB   CYS  11          2HB       CYS  11   1.307   4.096 -14.909
   48    H    PHE  12           H        PHE  12  -0.315   6.357 -13.913
   49    HA   PHE  12           HA       PHE  12  -2.330   6.832 -16.078
   50   1HB   PHE  12          1HB       PHE  12  -1.341   8.339 -13.667
   51   2HB   PHE  12          2HB       PHE  12  -2.121   9.211 -14.986
   52    HD1  PHE  12           HD1      PHE  12  -2.578   6.382 -12.595
   53    HD2  PHE  12           HD2      PHE  12  -4.477   9.181 -15.243
   54    HE1  PHE  12           HE1      PHE  12  -4.799   5.680 -11.745
   55    HE2  PHE  12           HE2      PHE  12  -6.698   8.478 -14.393
   56    HZ   PHE  12           HZ       PHE  12  -6.860   6.728 -12.644
   57    HA   PRO  13           HA       PRO  13   0.653   8.460 -18.858
   58   1HB   PRO  13          1HB       PRO  13  -0.656  10.989 -19.270
   59   2HB   PRO  13          2HB       PRO  13  -0.710   9.556 -20.298
   60   1HG   PRO  13          1HG       PRO  13  -2.800  10.614 -18.636
   61   2HG   PRO  13          2HG       PRO  13  -2.853   9.179 -19.664
   62   1HD   PRO  13          1HD       PRO  13  -2.766   9.290 -16.780
   63   2HD   PRO  13          2HD       PRO  13  -2.822   7.845 -17.816
   64    H    ASP  14           H        ASP  14  -0.216  10.228 -16.010
   65    HA   ASP  14           HA       ASP  14   1.825  12.312 -16.280
   66   1HB   ASP  14          1HB       ASP  14   1.072  12.820 -13.961
   67   2HB   ASP  14          2HB       ASP  14  -0.291  12.639 -15.066
   68    H    GLY   1           H        GLY   1   2.154   9.085 -15.856
   69   1HA   GLY   1          1HA       GLY   1   4.775   9.377 -14.582
   70   2HA   GLY   1          2HA       GLY   1   4.093   7.880 -15.216
   71    H    ARG   2           H        ARG   2   1.568   8.652 -13.567
   72    HA   ARG   2           HA       ARG   2   2.588   8.076 -10.827
   73   1HB   ARG   2          1HB       ARG   2   0.945   9.946 -11.465
   74   2HB   ARG   2          2HB       ARG   2  -0.240   8.666 -11.726
   75   1HG   ARG   2          1HG       ARG   2  -0.528   9.437  -9.463
   76   2HG   ARG   2          2HG       ARG   2   0.265   7.863  -9.373
   77   1HD   ARG   2          1HD       ARG   2   2.461   8.975  -9.121
   78   2HD   ARG   2          2HD       ARG   2   1.666  10.558  -9.214
   79    HE   ARG   2           HE       ARG   2   0.669   8.647  -7.169
   80   1HH1  ARG   2          1HH1      ARG   2   2.952  11.103  -7.852
   81   2HH1  ARG   2          2HH1      ARG   2   2.754  11.912  -6.333
   82   1HH2  ARG   2          1HH2      ARG   2   0.184   9.842  -5.266
   83   2HH2  ARG   2          2HH2      ARG   2   1.187  11.198  -4.869
   84    H    CYS   3           H        CYS   3   2.278   6.071  -9.903
   85    HA   CYS   3           HA       CYS   3   0.475   4.141 -11.330
   86   1HB   CYS   3          1HB       CYS   3   3.267   3.884 -10.209
   87   2HB   CYS   3          2HB       CYS   3   2.261   2.462 -10.482
   88    H    THR   4           H        THR   4  -0.460   2.488  -9.904
   89    HA   THR   4           HA       THR   4  -0.645   3.406  -7.055
   90    HB   THR   4           HB       THR   4  -2.905   2.487  -7.140
   91    HG1  THR   4           HG1      THR   4  -3.352   1.005  -8.534
   92   1HG2  THR   4          1HG2      THR   4  -2.174   4.142  -9.568
   93   2HG2  THR   4          2HG2      THR   4  -3.833   3.857  -9.038
   94   3HG2  THR   4          3HG2      THR   4  -2.713   4.737  -7.998
   95    H    LYS   5           H        LYS   5  -1.076   1.569  -5.492
   96    HA   LYS   5           HA       LYS   5  -0.148  -1.106  -6.364
   97   1HB   LYS   5          1HB       LYS   5   1.284   0.672  -4.366
   98   2HB   LYS   5          2HB       LYS   5   1.651  -1.036  -4.609
   99   1HG   LYS   5          1HG       LYS   5   2.074  -0.528  -7.036
  100   2HG   LYS   5          2HG       LYS   5   1.880   1.185  -6.661
  101   1HD   LYS   5          1HD       LYS   5   3.715   0.963  -4.966
  102   2HD   LYS   5          2HD       LYS   5   3.961  -0.697  -5.508
  103   1HE   LYS   5          1HE       LYS   5   3.983   1.540  -7.527
  104   2HE   LYS   5          2HE       LYS   5   5.434   1.196  -6.569
  105   1HZ   LYS   5          1HZ       LYS   5   4.852  -1.249  -7.174
  106   2HZ   LYS   5          2HZ       LYS   5   3.994  -0.546  -8.461
  107   3HZ   LYS   5          3HZ       LYS   5   5.663  -0.282  -8.312

  No H/Q in entry =         107
  Start of MODEL    4
    1    H1   SER   6           H1       SER   6  -5.016  -2.156 -10.365
    2    H2   SER   6           H2       SER   6  -6.181  -2.714  -9.267
    3    H3   SER   6           H3       SER   6  -5.802  -1.059  -9.332
    4    HA   SER   6           HA       SER   6  -3.584  -1.479  -8.495
    5   1HB   SER   6          1HB       SER   6  -6.126  -2.215  -7.177
    6   2HB   SER   6          2HB       SER   6  -4.680  -2.782  -6.343
    7    HG   SER   6           HG       SER   6  -5.622  -0.223  -6.724
    8    H    ILE   7           H        ILE   7  -5.011  -4.114  -9.979
    9    HA   ILE   7           HA       ILE   7  -2.664  -5.785  -9.683
   10    HB   ILE   7           HB       ILE   7  -3.499  -6.202  -7.485
   11   1HG1  ILE   7          1HG1      ILE   7  -4.889  -8.500  -8.727
   12   2HG1  ILE   7          2HG1      ILE   7  -3.247  -8.218  -9.308
   13   1HG2  ILE   7          1HG2      ILE   7  -6.217  -6.581  -8.781
   14   2HG2  ILE   7          2HG2      ILE   7  -5.868  -6.772  -7.063
   15   3HG2  ILE   7          3HG2      ILE   7  -5.722  -5.186  -7.821
   16   1HD1  ILE   7          1HD1      ILE   7  -3.854  -8.207  -6.355
   17   2HD1  ILE   7          2HD1      ILE   7  -3.569  -9.724  -7.207
   18   3HD1  ILE   7          3HD1      ILE   7  -2.312  -8.489  -7.163
   19    HA   PRO   8           HA       PRO   8  -1.673  -6.142 -11.372
   20   1HB   PRO   8          1HB       PRO   8  -1.933  -4.875 -13.942
   21   2HB   PRO   8          2HB       PRO   8  -1.086  -6.373 -13.549
   22   1HG   PRO   8          1HG       PRO   8  -3.552  -6.067 -14.989
   23   2HG   PRO   8          2HG       PRO   8  -2.709  -7.565 -14.589
   24   1HD   PRO   8          1HD       PRO   8  -5.166  -6.554 -13.454
   25   2HD   PRO   8          2HD       PRO   8  -4.322  -8.069 -13.060
   26    HA   PRO   9           HA       PRO   9  -2.267  -1.996  -9.987
   27   1HB   PRO   9          1HB       PRO   9   0.319  -1.133 -10.905
   28   2HB   PRO   9          2HB       PRO   9  -0.158  -1.584  -9.267
   29   1HG   PRO   9          1HG       PRO   9   1.511  -3.052 -11.087
   30   2HG   PRO   9          2HG       PRO   9   1.037  -3.501  -9.448
   31   1HD   PRO   9          1HD       PRO   9   0.140  -4.666 -11.932
   32   2HD   PRO   9          2HD       PRO   9  -0.342  -5.114 -10.280
   33    H    ILE  10           H        ILE  10  -2.525   0.204 -10.852
   34    HA   ILE  10           HA       ILE  10  -2.659   0.260 -13.849
   35    HB   ILE  10           HB       ILE  10  -4.240   1.780 -11.748
   36   1HG1  ILE  10          1HG1      ILE  10  -4.843  -0.543 -11.620
   37   2HG1  ILE  10          2HG1      ILE  10  -6.101   0.254 -12.566
   38   1HG2  ILE  10          1HG2      ILE  10  -4.021   2.928 -13.946
   39   2HG2  ILE  10          2HG2      ILE  10  -4.666   1.489 -14.738
   40   3HG2  ILE  10          3HG2      ILE  10  -5.678   2.413 -13.629
   41   1HD1  ILE  10          1HD1      ILE  10  -4.973  -0.460 -14.650
   42   2HD1  ILE  10          2HD1      ILE  10  -3.735  -1.275 -13.695
   43   3HD1  ILE  10          3HD1      ILE  10  -5.403  -1.847 -13.648
   44    H    CYS  11           H        CYS  11  -1.717   2.028 -14.906
   45    HA   CYS  11           HA       CYS  11  -0.293   4.018 -13.166
   46   1HB   CYS  11          1HB       CYS  11   0.476   2.583 -15.718
   47   2HB   CYS  11          2HB       CYS  11   1.352   4.000 -15.137
   48    H    PHE  12           H        PHE  12  -0.316   6.194 -13.908
   49    HA   PHE  12           HA       PHE  12  -2.326   6.763 -16.054
   50   1HB   PHE  12          1HB       PHE  12  -1.278   8.406 -13.725
   51   2HB   PHE  12          2HB       PHE  12  -2.525   8.936 -14.854
   52    HD1  PHE  12           HD1      PHE  12  -4.066   6.441 -15.252
   53    HD2  PHE  12           HD2      PHE  12  -2.409   8.137 -11.670
   54    HE1  PHE  12           HE1      PHE  12  -5.784   5.270 -13.902
   55    HE2  PHE  12           HE2      PHE  12  -4.128   6.965 -10.321
   56    HZ   PHE  12           HZ       PHE  12  -5.816   5.531 -11.437
   57    HA   PRO  13           HA       PRO  13   0.666   8.612 -18.688
   58   1HB   PRO  13          1HB       PRO  13  -0.781  11.070 -19.061
   59   2HB   PRO  13          2HB       PRO  13  -0.716   9.672 -20.136
   60   1HG   PRO  13          1HG       PRO  13  -2.917  10.546 -18.511
   61   2HG   PRO  13          2HG       PRO  13  -2.850   9.147 -19.585
   62   1HD   PRO  13          1HD       PRO  13  -2.860   9.166 -16.697
   63   2HD   PRO  13          2HD       PRO  13  -2.797   7.756 -17.779
   64    H    ASP  14           H        ASP  14  -0.339  10.153 -15.776
   65    HA   ASP  14           HA       ASP  14   1.421  12.463 -15.885
   66   1HB   ASP  14          1HB       ASP  14   0.809  12.561 -13.460
   67   2HB   ASP  14          2HB       ASP  14  -0.599  12.368 -14.505
   68    H    GLY   1           H        GLY   1   2.061   9.175 -15.603
   69   1HA   GLY   1          1HA       GLY   1   4.793   9.728 -14.650
   70   2HA   GLY   1          2HA       GLY   1   4.216   8.197 -15.307
   71    H    ARG   2           H        ARG   2   1.813   8.446 -13.424
   72    HA   ARG   2           HA       ARG   2   3.240   7.608 -10.919
   73   1HB   ARG   2          1HB       ARG   2   0.529   8.927 -11.287
   74   2HB   ARG   2          2HB       ARG   2   1.279   8.531  -9.741
   75   1HG   ARG   2          1HG       ARG   2   3.197  10.018 -10.342
   76   2HG   ARG   2          2HG       ARG   2   2.337  10.478 -11.812
   77   1HD   ARG   2          1HD       ARG   2   1.781  12.190 -10.247
   78   2HD   ARG   2          2HD       ARG   2   0.378  11.105 -10.205
   79    HE   ARG   2           HE       ARG   2   1.996   9.986  -8.309
   80   1HH1  ARG   2          1HH1      ARG   2  -0.383  12.021  -7.926
   81   2HH1  ARG   2          2HH1      ARG   2   0.322  13.053  -6.727
   82   1HH2  ARG   2          1HH2      ARG   2   3.537  11.837  -7.194
   83   2HH2  ARG   2          2HH2      ARG   2   2.543  12.949  -6.313
   84    H    CYS   3           H        CYS   3   2.428   5.727  -9.885
   85    HA   CYS   3           HA       CYS   3   0.307   4.219 -11.382
   86   1HB   CYS   3          1HB       CYS   3   2.947   3.297 -10.207
   87   2HB   CYS   3          2HB       CYS   3   1.710   2.195 -10.812
   88    H    THR   4           H        THR   4  -0.837   2.624 -10.002
   89    HA   THR   4           HA       THR   4  -1.285   3.676  -7.284
   90    HB   THR   4           HB       THR   4  -3.147   2.021  -7.361
   91    HG1  THR   4           HG1      THR   4  -3.373   0.783  -9.224
   92   1HG2  THR   4          1HG2      THR   4  -2.700   4.224  -9.177
   93   2HG2  THR   4          2HG2      THR   4  -3.736   3.012  -9.932
   94   3HG2  THR   4          3HG2      THR   4  -4.196   3.725  -8.386
   95    H    LYS   5           H        LYS   5  -1.373   2.098  -5.431
   96    HA   LYS   5           HA       LYS   5   1.028   0.812  -4.867
   97   1HB   LYS   5          1HB       LYS   5  -0.816   1.311  -3.285
   98   2HB   LYS   5          2HB       LYS   5  -1.777   0.020  -4.010
   99   1HG   LYS   5          1HG       LYS   5   0.018  -1.605  -3.401
  100   2HG   LYS   5          2HG       LYS   5   0.885  -0.300  -2.589
  101   1HD   LYS   5          1HD       LYS   5  -1.196   0.074  -1.189
  102   2HD   LYS   5          2HD       LYS   5  -1.845  -1.411  -1.885
  103   1HE   LYS   5          1HE       LYS   5  -0.294  -2.762  -0.776
  104   2HE   LYS   5          2HE       LYS   5   0.901  -1.457  -0.651
  105   1HZ   LYS   5          1HZ       LYS   5  -0.938  -0.303   0.720
  106   2HZ   LYS   5          2HZ       LYS   5  -1.576  -1.866   0.906
  107   3HZ   LYS   5          3HZ       LYS   5  -0.012  -1.512   1.468

  No H/Q in entry =         107
  Start of MODEL    5
    1    H1   SER   6           H1       SER   6  -6.119  -2.516  -8.533
    2    H2   SER   6           H2       SER   6  -6.074  -0.822  -8.667
    3    H3   SER   6           H3       SER   6  -6.059  -1.783 -10.064
    4    HA   SER   6           HA       SER   6  -3.833  -1.200  -9.866
    5   1HB   SER   6          1HB       SER   6  -2.795  -1.030  -7.632
    6   2HB   SER   6          2HB       SER   6  -4.277  -0.075  -7.700
    7    HG   SER   6           HG       SER   6  -5.213  -1.396  -6.348
    8    H    ILE   7           H        ILE   7  -5.456  -3.852  -9.843
    9    HA   ILE   7           HA       ILE   7  -3.073  -5.618  -9.461
   10    HB   ILE   7           HB       ILE   7  -4.657  -7.258  -8.392
   11   1HG1  ILE   7          1HG1      ILE   7  -6.671  -5.463  -7.530
   12   2HG1  ILE   7          2HG1      ILE   7  -6.550  -5.271  -9.280
   13   1HG2  ILE   7          1HG2      ILE   7  -3.580  -4.816  -7.308
   14   2HG2  ILE   7          2HG2      ILE   7  -5.090  -5.205  -6.484
   15   3HG2  ILE   7          3HG2      ILE   7  -3.774  -6.381  -6.516
   16   1HD1  ILE   7          1HD1      ILE   7  -6.379  -8.069  -8.597
   17   2HD1  ILE   7          2HD1      ILE   7  -7.823  -7.368  -7.867
   18   3HD1  ILE   7          3HD1      ILE   7  -7.569  -7.252  -9.609
   19    HA   PRO   8           HA       PRO   8  -1.820  -6.149 -10.901
   20   1HB   PRO   8          1HB       PRO   8  -1.419  -4.992 -13.505
   21   2HB   PRO   8          2HB       PRO   8  -0.841  -6.549 -12.906
   22   1HG   PRO   8          1HG       PRO   8  -2.914  -6.063 -14.828
   23   2HG   PRO   8          2HG       PRO   8  -2.350  -7.619 -14.214
   24   1HD   PRO   8          1HD       PRO   8  -4.849  -6.279 -13.640
   25   2HD   PRO   8          2HD       PRO   8  -4.293  -7.862 -13.049
   26    HA   PRO   9           HA       PRO   9  -1.970  -1.869  -9.879
   27   1HB   PRO   9          1HB       PRO   9   0.664  -1.232 -10.847
   28   2HB   PRO   9          2HB       PRO   9   0.164  -1.554  -9.186
   29   1HG   PRO   9          1HG       PRO   9   1.725  -3.233 -10.919
   30   2HG   PRO   9          2HG       PRO   9   1.233  -3.552  -9.254
   31   1HD   PRO   9          1HD       PRO   9   0.249  -4.804 -11.660
   32   2HD   PRO   9          2HD       PRO   9  -0.257  -5.116  -9.983
   33    H    ILE  10           H        ILE  10  -2.470   0.124 -10.895
   34    HA   ILE  10           HA       ILE  10  -2.325   0.111 -13.889
   35    HB   ILE  10           HB       ILE  10  -4.140   1.634 -11.991
   36   1HG1  ILE  10          1HG1      ILE  10  -4.613  -0.705 -11.722
   37   2HG1  ILE  10          2HG1      ILE  10  -5.845  -0.065 -12.810
   38   1HG2  ILE  10          1HG2      ILE  10  -3.860   2.646 -14.236
   39   2HG2  ILE  10          2HG2      ILE  10  -4.315   1.111 -14.975
   40   3HG2  ILE  10          3HG2      ILE  10  -5.490   2.009 -14.014
   41   1HD1  ILE  10          1HD1      ILE  10  -4.499  -0.845 -14.751
   42   2HD1  ILE  10          2HD1      ILE  10  -3.325  -1.542 -13.634
   43   3HD1  ILE  10          3HD1      ILE  10  -4.970  -2.178 -13.696
   44    H    CYS  11           H        CYS  11  -1.497   1.958 -14.941
   45    HA   CYS  11           HA       CYS  11  -0.221   4.011 -13.158
   46   1HB   CYS  11          1HB       CYS  11   0.648   2.667 -15.727
   47   2HB   CYS  11          2HB       CYS  11   1.437   4.120 -15.113
   48    H    PHE  12           H        PHE  12  -0.161   6.194 -14.046
   49    HA   PHE  12           HA       PHE  12  -2.285   6.682 -16.108
   50   1HB   PHE  12          1HB       PHE  12  -1.264   8.479 -13.886
   51   2HB   PHE  12          2HB       PHE  12  -2.677   8.766 -14.902
   52    HD1  PHE  12           HD1      PHE  12  -4.072   6.265 -15.028
   53    HD2  PHE  12           HD2      PHE  12  -1.953   7.984 -11.709
   54    HE1  PHE  12           HE1      PHE  12  -5.471   4.953 -13.455
   55    HE2  PHE  12           HE2      PHE  12  -3.352   6.671 -10.137
   56    HZ   PHE  12           HZ       PHE  12  -5.110   5.157 -11.010
   57    HA   PRO  13           HA       PRO  13   0.595   8.643 -18.783
   58   1HB   PRO  13          1HB       PRO  13  -0.950  11.044 -19.135
   59   2HB   PRO  13          2HB       PRO  13  -0.846   9.649 -20.212
   60   1HG   PRO  13          1HG       PRO  13  -3.055  10.439 -18.554
   61   2HG   PRO  13          2HG       PRO  13  -2.952   9.045 -19.632
   62   1HD   PRO  13          1HD       PRO  13  -2.924   9.057 -16.745
   63   2HD   PRO  13          2HD       PRO  13  -2.816   7.652 -17.833
   64    H    ASP  14           H        ASP  14  -0.410  10.120 -15.846
   65    HA   ASP  14           HA       ASP  14   1.335  12.468 -16.009
   66   1HB   ASP  14          1HB       ASP  14   0.588  12.726 -13.654
   67   2HB   ASP  14          2HB       ASP  14  -0.774  12.415 -14.730
   68    H    GLY   1           H        GLY   1   2.015   9.242 -15.717
   69   1HA   GLY   1          1HA       GLY   1   4.662   9.786 -14.584
   70   2HA   GLY   1          2HA       GLY   1   4.104   8.237 -15.215
   71    H    ARG   2           H        ARG   2   1.626   8.432 -13.506
   72    HA   ARG   2           HA       ARG   2   2.901   7.838 -10.853
   73   1HB   ARG   2          1HB       ARG   2   1.379   9.864 -11.102
   74   2HB   ARG   2          2HB       ARG   2   0.062   8.736 -11.422
   75   1HG   ARG   2          1HG       ARG   2   0.434   7.660  -9.244
   76   2HG   ARG   2          2HG       ARG   2   1.787   8.746  -8.926
   77   1HD   ARG   2          1HD       ARG   2   0.217  10.690  -9.087
   78   2HD   ARG   2          2HD       ARG   2  -1.126   9.547  -9.281
   79    HE   ARG   2           HE       ARG   2   0.581   8.969  -6.970
   80   1HH1  ARG   2          1HH1      ARG   2  -2.525   8.794  -7.596
   81   2HH1  ARG   2          2HH1      ARG   2  -3.112   9.818  -6.328
   82   1HH2  ARG   2          1HH2      ARG   2   0.009  11.132  -5.583
   83   2HH2  ARG   2          2HH2      ARG   2  -1.678  11.142  -5.188
   84    H    CYS   3           H        CYS   3   2.388   5.853  -9.920
   85    HA   CYS   3           HA       CYS   3   0.416   4.127 -11.382
   86   1HB   CYS   3          1HB       CYS   3   3.154   3.508 -10.236
   87   2HB   CYS   3          2HB       CYS   3   2.036   2.268 -10.801
   88    H    THR   4           H        THR   4  -0.420   2.329  -9.958
   89    HA   THR   4           HA       THR   4  -0.747   3.308  -7.149
   90    HB   THR   4           HB       THR   4  -2.849   2.057  -7.241
   91    HG1  THR   4           HG1      THR   4  -3.350   0.857  -9.062
   92   1HG2  THR   4          1HG2      THR   4  -2.418   4.345  -8.521
   93   2HG2  THR   4          2HG2      THR   4  -2.764   3.351  -9.936
   94   3HG2  THR   4          3HG2      THR   4  -3.965   3.509  -8.653
   95    H    LYS   5           H        LYS   5  -0.988   1.500  -5.502
   96    HA   LYS   5           HA       LYS   5   0.472  -0.998  -6.214
   97   1HB   LYS   5          1HB       LYS   5   1.223   1.016  -4.073
   98   2HB   LYS   5          2HB       LYS   5   1.927  -0.598  -4.191
   99   1HG   LYS   5          1HG       LYS   5   2.638  -0.047  -6.536
  100   2HG   LYS   5          2HG       LYS   5   2.065   1.602  -6.276
  101   1HD   LYS   5          1HD       LYS   5   3.613   1.785  -4.324
  102   2HD   LYS   5          2HD       LYS   5   4.237   0.179  -4.704
  103   1HE   LYS   5          1HE       LYS   5   4.403   1.479  -7.148
  104   2HE   LYS   5          2HE       LYS   5   4.831   2.752  -5.990
  105   1HZ   LYS   5          1HZ       LYS   5   5.904   0.005  -5.733
  106   2HZ   LYS   5          2HZ       LYS   5   6.673   1.150  -6.725
  107   3HZ   LYS   5          3HZ       LYS   5   6.506   1.441  -5.059

  No H/Q in entry =         107
  Start of MODEL    6
    1    H1   SER   6           H1       SER   6  -6.331  -2.672  -8.657
    2    H2   SER   6           H2       SER   6  -6.261  -0.992  -8.900
    3    H3   SER   6           H3       SER   6  -6.041  -2.052 -10.208
    4    HA   SER   6           HA       SER   6  -3.878  -1.329  -9.651
    5   1HB   SER   6          1HB       SER   6  -3.388  -1.777  -7.043
    6   2HB   SER   6          2HB       SER   6  -4.097  -0.266  -7.612
    7    HG   SER   6           HG       SER   6  -5.602  -2.532  -6.827
    8    H    ILE   7           H        ILE   7  -5.401  -3.981 -10.079
    9    HA   ILE   7           HA       ILE   7  -3.052  -5.729  -9.574
   10    HB   ILE   7           HB       ILE   7  -5.853  -6.079  -8.484
   11   1HG1  ILE   7          1HG1      ILE   7  -4.170  -4.857  -7.116
   12   2HG1  ILE   7          2HG1      ILE   7  -4.654  -6.379  -6.366
   13   1HG2  ILE   7          1HG2      ILE   7  -5.026  -8.162  -9.656
   14   2HG2  ILE   7          2HG2      ILE   7  -3.667  -8.177  -8.533
   15   3HG2  ILE   7          3HG2      ILE   7  -5.313  -8.366  -7.928
   16   1HD1  ILE   7          1HD1      ILE   7  -2.549  -7.173  -7.947
   17   2HD1  ILE   7          2HD1      ILE   7  -2.034  -5.565  -7.440
   18   3HD1  ILE   7          3HD1      ILE   7  -2.423  -6.789  -6.231
   19    HA   PRO   8           HA       PRO   8  -1.777  -6.203 -11.021
   20   1HB   PRO   8          1HB       PRO   8  -1.398  -4.977 -13.597
   21   2HB   PRO   8          2HB       PRO   8  -0.782  -6.531 -13.031
   22   1HG   PRO   8          1HG       PRO   8  -2.863  -6.054 -14.948
   23   2HG   PRO   8          2HG       PRO   8  -2.258  -7.609 -14.372
   24   1HD   PRO   8          1HD       PRO   8  -4.794  -6.354 -13.774
   25   2HD   PRO   8          2HD       PRO   8  -4.195  -7.932 -13.213
   26    HA   PRO   9           HA       PRO   9  -2.047  -1.959  -9.886
   27   1HB   PRO   9          1HB       PRO   9   0.575  -1.231 -10.819
   28   2HB   PRO   9          2HB       PRO   9   0.073  -1.607  -9.170
   29   1HG   PRO   9          1HG       PRO   9   1.683  -3.204 -10.938
   30   2HG   PRO   9          2HG       PRO   9   1.199  -3.570  -9.280
   31   1HD   PRO   9          1HD       PRO   9   0.254  -4.806 -11.706
   32   2HD   PRO   9          2HD       PRO   9  -0.260  -5.150 -10.038
   33    H    ILE  10           H        ILE  10  -2.459   0.116 -10.836
   34    HA   ILE  10           HA       ILE  10  -2.377   0.148 -13.835
   35    HB   ILE  10           HB       ILE  10  -4.183   1.587 -11.862
   36   1HG1  ILE  10          1HG1      ILE  10  -4.768  -0.796 -13.645
   37   2HG1  ILE  10          2HG1      ILE  10  -4.449  -0.906 -11.914
   38   1HG2  ILE  10          1HG2      ILE  10  -3.733   1.804 -14.744
   39   2HG2  ILE  10          2HG2      ILE  10  -5.414   1.442 -14.353
   40   3HG2  ILE  10          3HG2      ILE  10  -4.637   2.869 -13.669
   41   1HD1  ILE  10          1HD1      ILE  10  -6.569   0.980 -12.894
   42   2HD1  ILE  10          2HD1      ILE  10  -6.934  -0.742 -12.784
   43   3HD1  ILE  10          3HD1      ILE  10  -6.447   0.150 -11.343
   44    H    CYS  11           H        CYS  11  -1.487   1.969 -14.848
   45    HA   CYS  11           HA       CYS  11  -0.249   4.019 -13.037
   46   1HB   CYS  11          1HB       CYS  11   0.659   2.698 -15.607
   47   2HB   CYS  11          2HB       CYS  11   1.444   4.136 -14.956
   48    H    PHE  12           H        PHE  12  -0.257   6.208 -13.837
   49    HA   PHE  12           HA       PHE  12  -2.358   6.720 -15.907
   50   1HB   PHE  12          1HB       PHE  12  -1.204   8.493 -13.730
   51   2HB   PHE  12          2HB       PHE  12  -2.600   8.865 -14.741
   52    HD1  PHE  12           HD1      PHE  12  -3.856   6.124 -14.825
   53    HD2  PHE  12           HD2      PHE  12  -2.212   8.391 -11.569
   54    HE1  PHE  12           HE1      PHE  12  -5.330   4.913 -13.239
   55    HE2  PHE  12           HE2      PHE  12  -3.684   7.180  -9.982
   56    HZ   PHE  12           HZ       PHE  12  -5.243   5.441 -10.818
   57    HA   PRO  13           HA       PRO  13   0.515   8.488 -18.722
   58   1HB   PRO  13          1HB       PRO  13  -1.005  10.893 -19.154
   59   2HB   PRO  13          2HB       PRO  13  -0.940   9.449 -20.169
   60   1HG   PRO  13          1HG       PRO  13  -3.108  10.343 -18.510
   61   2HG   PRO  13          2HG       PRO  13  -3.042   8.900 -19.525
   62   1HD   PRO  13          1HD       PRO  13  -2.960   9.044 -16.642
   63   2HD   PRO  13          2HD       PRO  13  -2.892   7.590 -17.665
   64    H    ASP  14           H        ASP  14  -0.404  10.098 -15.832
   65    HA   ASP  14           HA       ASP  14   1.346  12.427 -16.129
   66   1HB   ASP  14          1HB       ASP  14   0.683  12.762 -13.758
   67   2HB   ASP  14          2HB       ASP  14  -0.717  12.420 -14.775
   68    H    GLY   1           H        GLY   1   2.008   9.197 -15.713
   69   1HA   GLY   1          1HA       GLY   1   4.697   9.788 -14.678
   70   2HA   GLY   1          2HA       GLY   1   4.140   8.229 -15.288
   71    H    ARG   2           H        ARG   2   1.686   8.506 -13.503
   72    HA   ARG   2           HA       ARG   2   3.019   7.910 -10.882
   73   1HB   ARG   2          1HB       ARG   2   1.497   9.915 -11.073
   74   2HB   ARG   2          2HB       ARG   2   0.177   8.807 -11.447
   75   1HG   ARG   2          1HG       ARG   2   0.427   7.703  -9.296
   76   2HG   ARG   2          2HG       ARG   2   1.863   8.661  -8.931
   77   1HD   ARG   2          1HD       ARG   2  -0.060   9.649  -7.778
   78   2HD   ARG   2          2HD       ARG   2   0.423  10.736  -9.094
   79    HE   ARG   2           HE       ARG   2  -1.444   9.857 -10.423
   80   1HH1  ARG   2          1HH1      ARG   2  -1.075   7.998  -7.604
   81   2HH1  ARG   2          2HH1      ARG   2  -2.771   7.784  -7.334
   82   1HH2  ARG   2          1HH2      ARG   2  -3.719   9.916  -9.898
   83   2HH2  ARG   2          2HH2      ARG   2  -4.270   8.869  -8.633
   84    H    CYS   3           H        CYS   3   2.536   5.931  -9.913
   85    HA   CYS   3           HA       CYS   3   0.581   4.160 -11.344
   86   1HB   CYS   3          1HB       CYS   3   3.341   3.637 -10.212
   87   2HB   CYS   3          2HB       CYS   3   2.237   2.335 -10.655
   88    H    THR   4           H        THR   4  -0.498   2.598  -9.952
   89    HA   THR   4           HA       THR   4  -0.780   3.557  -7.153
   90    HB   THR   4           HB       THR   4  -2.832   2.199  -7.240
   91    HG1  THR   4           HG1      THR   4  -2.583   0.505  -8.465
   92   1HG2  THR   4          1HG2      THR   4  -2.359   3.847  -9.738
   93   2HG2  THR   4          2HG2      THR   4  -3.944   3.357  -9.141
   94   3HG2  THR   4          3HG2      THR   4  -2.940   4.449  -8.187
   95    H    LYS   5           H        LYS   5  -1.057   1.760  -5.471
   96    HA   LYS   5           HA       LYS   5   0.923  -0.437  -5.987
   97   1HB   LYS   5          1HB       LYS   5   0.228   1.119  -3.474
   98   2HB   LYS   5          2HB       LYS   5   1.381  -0.215  -3.536
   99   1HG   LYS   5          1HG       LYS   5   2.688   1.056  -5.248
  100   2HG   LYS   5          2HG       LYS   5   1.575   2.410  -5.046
  101   1HD   LYS   5          1HD       LYS   5   2.155   2.450  -2.608
  102   2HD   LYS   5          2HD       LYS   5   3.363   1.202  -2.914
  103   1HE   LYS   5          1HE       LYS   5   4.839   2.747  -3.677
  104   2HE   LYS   5          2HE       LYS   5   3.636   3.408  -4.802
  105   1HZ   LYS   5          1HZ       LYS   5   3.231   3.895  -1.946
  106   2HZ   LYS   5          2HZ       LYS   5   4.481   4.765  -2.699
  107   3HZ   LYS   5          3HZ       LYS   5   2.886   4.897  -3.271

  No H/Q in entry =         107
  Start of MODEL    7
    1    H1   SER   6           H1       SER   6  -5.712  -2.278 -10.457
    2    H2   SER   6           H2       SER   6  -6.274  -2.447  -8.866
    3    H3   SER   6           H3       SER   6  -5.942  -0.901  -9.489
    4    HA   SER   6           HA       SER   6  -3.605  -1.323  -9.546
    5   1HB   SER   6          1HB       SER   6  -5.125  -2.120  -7.052
    6   2HB   SER   6          2HB       SER   6  -3.377  -1.881  -7.046
    7    HG   SER   6           HG       SER   6  -5.267  -0.051  -6.874
    8    H    ILE   7           H        ILE   7  -5.501  -4.074  -9.817
    9    HA   ILE   7           HA       ILE   7  -3.074  -5.822  -9.760
   10    HB   ILE   7           HB       ILE   7  -5.800  -6.406  -8.553
   11   1HG1  ILE   7          1HG1      ILE   7  -3.743  -6.623  -6.641
   12   2HG1  ILE   7          2HG1      ILE   7  -3.412  -5.130  -7.519
   13   1HG2  ILE   7          1HG2      ILE   7  -3.422  -8.065  -9.195
   14   2HG2  ILE   7          2HG2      ILE   7  -4.135  -8.320  -7.601
   15   3HG2  ILE   7          3HG2      ILE   7  -5.116  -8.534  -9.051
   16   1HD1  ILE   7          1HD1      ILE   7  -6.241  -5.337  -7.022
   17   2HD1  ILE   7          2HD1      ILE   7  -5.364  -5.550  -5.507
   18   3HD1  ILE   7          3HD1      ILE   7  -5.116  -4.096  -6.473
   19    HA   PRO   8           HA       PRO   8  -1.953  -6.312 -11.333
   20   1HB   PRO   8          1HB       PRO   8  -1.785  -5.000 -13.887
   21   2HB   PRO   8          2HB       PRO   8  -1.166  -6.591 -13.439
   22   1HG   PRO   8          1HG       PRO   8  -3.408  -5.982 -15.125
   23   2HG   PRO   8          2HG       PRO   8  -2.793  -7.573 -14.672
   24   1HD   PRO   8          1HD       PRO   8  -5.225  -6.290 -13.782
   25   2HD   PRO   8          2HD       PRO   8  -4.610  -7.898 -13.334
   26    HA   PRO   9           HA       PRO   9  -1.977  -2.104 -10.042
   27   1HB   PRO   9          1HB       PRO   9   0.573  -1.422 -11.186
   28   2HB   PRO   9          2HB       PRO   9   0.210  -1.845  -9.511
   29   1HG   PRO   9          1HG       PRO   9   1.607  -3.418 -11.467
   30   2HG   PRO   9          2HG       PRO   9   1.243  -3.843  -9.793
   31   1HD   PRO   9          1HD       PRO   9   0.055  -4.923 -12.193
   32   2HD   PRO   9          2HD       PRO   9  -0.309  -5.352 -10.505
   33    H    ILE  10           H        ILE  10  -2.409   0.013 -10.880
   34    HA   ILE  10           HA       ILE  10  -2.601   0.153 -13.869
   35    HB   ILE  10           HB       ILE  10  -4.140   1.611 -11.695
   36   1HG1  ILE  10          1HG1      ILE  10  -4.975  -0.724 -13.442
   37   2HG1  ILE  10          2HG1      ILE  10  -4.538  -0.852 -11.738
   38   1HG2  ILE  10          1HG2      ILE  10  -3.959   1.887 -14.595
   39   2HG2  ILE  10          2HG2      ILE  10  -5.609   1.560 -14.065
   40   3HG2  ILE  10          3HG2      ILE  10  -4.733   2.947 -13.418
   41   1HD1  ILE  10          1HD1      ILE  10  -6.369   1.127 -11.577
   42   2HD1  ILE  10          2HD1      ILE  10  -6.993   0.273 -12.989
   43   3HD1  ILE  10          3HD1      ILE  10  -6.799  -0.579 -11.456
   44    H    CYS  11           H        CYS  11  -1.683   1.937 -14.907
   45    HA   CYS  11           HA       CYS  11  -0.249   3.913 -13.158
   46   1HB   CYS  11          1HB       CYS  11   0.475   2.498 -15.729
   47   2HB   CYS  11          2HB       CYS  11   1.319   3.959 -15.217
   48    H    PHE  12           H        PHE  12  -0.155   6.099 -13.998
   49    HA   PHE  12           HA       PHE  12  -2.289   6.693 -16.024
   50   1HB   PHE  12          1HB       PHE  12  -1.189   8.328 -13.712
   51   2HB   PHE  12          2HB       PHE  12  -2.502   8.825 -14.780
   52    HD1  PHE  12           HD1      PHE  12  -3.849   6.135 -15.107
   53    HD2  PHE  12           HD2      PHE  12  -2.353   8.164 -11.630
   54    HE1  PHE  12           HE1      PHE  12  -5.468   4.901 -13.691
   55    HE2  PHE  12           HE2      PHE  12  -3.972   6.932 -10.213
   56    HZ   PHE  12           HZ       PHE  12  -5.530   5.300 -11.245
   57    HA   PRO  13           HA       PRO  13   0.624   8.606 -18.699
   58   1HB   PRO  13          1HB       PRO  13  -0.847  11.061 -18.993
   59   2HB   PRO  13          2HB       PRO  13  -0.800   9.683 -20.094
   60   1HG   PRO  13          1HG       PRO  13  -2.963  10.514 -18.397
   61   2HG   PRO  13          2HG       PRO  13  -2.918   9.136 -19.499
   62   1HD   PRO  13          1HD       PRO  13  -2.856   9.099 -16.613
   63   2HD   PRO  13          2HD       PRO  13  -2.808   7.710 -17.724
   64    H    ASP  14           H        ASP  14  -0.292  10.054 -15.723
   65    HA   ASP  14           HA       ASP  14   1.536  12.344 -15.869
   66   1HB   ASP  14          1HB       ASP  14   0.803  12.609 -13.514
   67   2HB   ASP  14          2HB       ASP  14  -0.574  12.354 -14.586
   68    H    GLY   1           H        GLY   1   2.042   9.066 -15.546
   69   1HA   GLY   1          1HA       GLY   1   4.724   9.505 -14.425
   70   2HA   GLY   1          2HA       GLY   1   4.117   7.992 -15.096
   71    H    ARG   2           H        ARG   2   1.625   8.389 -13.347
   72    HA   ARG   2           HA       ARG   2   2.865   7.605 -10.729
   73   1HB   ARG   2          1HB       ARG   2   0.218   8.901 -11.452
   74   2HB   ARG   2          2HB       ARG   2   0.657   8.407  -9.816
   75   1HG   ARG   2          1HG       ARG   2   2.279  10.332 -11.509
   76   2HG   ARG   2          2HG       ARG   2   1.116  10.832 -10.280
   77   1HD   ARG   2          1HD       ARG   2   2.413   9.562  -8.568
   78   2HD   ARG   2          2HD       ARG   2   3.607   9.148  -9.814
   79    HE   ARG   2           HE       ARG   2   4.422  11.360  -9.625
   80   1HH1  ARG   2          1HH1      ARG   2   1.805  11.046  -7.549
   81   2HH1  ARG   2          2HH1      ARG   2   1.410  12.732  -7.506
   82   1HH2  ARG   2          1HH2      ARG   2   3.642  13.590 -10.017
   83   2HH2  ARG   2          2HH2      ARG   2   2.450  14.172  -8.903
   84    H    CYS   3           H        CYS   3   2.193   5.649  -9.812
   85    HA   CYS   3           HA       CYS   3   0.132   4.077 -11.324
   86   1HB   CYS   3          1HB       CYS   3   2.807   3.210 -10.180
   87   2HB   CYS   3          2HB       CYS   3   1.624   2.110 -10.888
   88    H    THR   4           H        THR   4  -0.959   2.441  -9.980
   89    HA   THR   4           HA       THR   4  -1.613   3.393  -7.328
   90    HB   THR   4           HB       THR   4  -3.052   1.404  -7.330
   91    HG1  THR   4           HG1      THR   4  -1.276   0.658  -9.373
   92   1HG2  THR   4          1HG2      THR   4  -3.261   3.474  -9.040
   93   2HG2  THR   4          2HG2      THR   4  -3.138   2.155 -10.204
   94   3HG2  THR   4          3HG2      THR   4  -4.428   2.153  -9.001
   95    H    LYS   5           H        LYS   5  -1.291   2.133  -5.325
   96    HA   LYS   5           HA       LYS   5   0.236   1.164  -3.787
   97   1HB   LYS   5          1HB       LYS   5   0.183  -0.797  -6.104
   98   2HB   LYS   5          2HB       LYS   5   0.727  -1.187  -4.473
   99   1HG   LYS   5          1HG       LYS   5  -1.519  -0.520  -3.608
  100   2HG   LYS   5          2HG       LYS   5  -2.049  -0.260  -5.270
  101   1HD   LYS   5          1HD       LYS   5  -1.481  -2.639  -5.779
  102   2HD   LYS   5          2HD       LYS   5  -1.080  -2.876  -4.078
  103   1HE   LYS   5          1HE       LYS   5  -3.698  -1.622  -4.375
  104   2HE   LYS   5          2HE       LYS   5  -3.619  -3.181  -5.216
  105   1HZ   LYS   5          1HZ       LYS   5  -2.308  -3.016  -2.614
  106   2HZ   LYS   5          2HZ       LYS   5  -4.007  -2.988  -2.596
  107   3HZ   LYS   5          3HZ       LYS   5  -3.190  -4.295  -3.303

  No H/Q in entry =         107
  Start of MODEL    8
    1    H1   SER   6           H1       SER   6  -6.537  -3.227  -8.516
    2    H2   SER   6           H2       SER   6  -6.647  -1.541  -8.702
    3    H3   SER   6           H3       SER   6  -6.682  -2.549 -10.066
    4    HA   SER   6           HA       SER   6  -4.505  -1.752 -10.081
    5   1HB   SER   6          1HB       SER   6  -3.359  -1.962  -7.666
    6   2HB   SER   6          2HB       SER   6  -4.332  -0.558  -8.106
    7    HG   SER   6           HG       SER   6  -5.209  -2.871  -6.720
    8    H    ILE   7           H        ILE   7  -5.776  -4.458 -10.237
    9    HA   ILE   7           HA       ILE   7  -3.291  -6.065  -9.802
   10    HB   ILE   7           HB       ILE   7  -6.136  -6.711  -8.971
   11   1HG1  ILE   7          1HG1      ILE   7  -3.982  -7.056  -7.032
   12   2HG1  ILE   7          2HG1      ILE   7  -4.068  -5.400  -7.633
   13   1HG2  ILE   7          1HG2      ILE   7  -4.319  -8.521  -9.978
   14   2HG2  ILE   7          2HG2      ILE   7  -3.986  -8.586  -8.246
   15   3HG2  ILE   7          3HG2      ILE   7  -5.611  -8.917  -8.845
   16   1HD1  ILE   7          1HD1      ILE   7  -6.700  -6.572  -7.048
   17   2HD1  ILE   7          2HD1      ILE   7  -5.658  -6.441  -5.631
   18   3HD1  ILE   7          3HD1      ILE   7  -6.039  -5.005  -6.580
   19    HA   PRO   8           HA       PRO   8  -1.913  -6.416 -11.186
   20   1HB   PRO   8          1HB       PRO   8  -1.439  -5.064 -13.680
   21   2HB   PRO   8          2HB       PRO   8  -0.785  -6.612 -13.141
   22   1HG   PRO   8          1HG       PRO   8  -2.764  -6.149 -15.165
   23   2HG   PRO   8          2HG       PRO   8  -2.126  -7.698 -14.610
   24   1HD   PRO   8          1HD       PRO   8  -4.747  -6.575 -14.124
   25   2HD   PRO   8          2HD       PRO   8  -4.115  -8.152 -13.594
   26    HA   PRO   9           HA       PRO   9  -2.431  -2.234  -9.911
   27   1HB   PRO   9          1HB       PRO   9   0.191  -1.344 -10.692
   28   2HB   PRO   9          2HB       PRO   9  -0.365  -1.811  -9.083
   29   1HG   PRO   9          1HG       PRO   9   1.403  -3.254 -10.833
   30   2HG   PRO   9          2HG       PRO   9   0.858  -3.714  -9.217
   31   1HD   PRO   9          1HD       PRO   9   0.090  -4.883 -11.738
   32   2HD   PRO   9          2HD       PRO   9  -0.478  -5.331 -10.112
   33    H    ILE  10           H        ILE  10  -2.728  -0.058 -10.777
   34    HA   ILE  10           HA       ILE  10  -2.631   0.049 -13.775
   35    HB   ILE  10           HB       ILE  10  -4.469   1.419 -11.781
   36   1HG1  ILE  10          1HG1      ILE  10  -4.982  -0.910 -13.657
   37   2HG1  ILE  10          2HG1      ILE  10  -4.776  -1.045 -11.912
   38   1HG2  ILE  10          1HG2      ILE  10  -3.944   1.800 -14.620
   39   2HG2  ILE  10          2HG2      ILE  10  -5.626   1.360 -14.329
   40   3HG2  ILE  10          3HG2      ILE  10  -4.933   2.771 -13.529
   41   1HD1  ILE  10          1HD1      ILE  10  -6.689   0.791 -11.877
   42   2HD1  ILE  10          2HD1      ILE  10  -7.050   0.129 -13.472
   43   3HD1  ILE  10          3HD1      ILE  10  -7.091  -0.917 -12.053
   44    H    CYS  11           H        CYS  11  -1.638   1.843 -14.708
   45    HA   CYS  11           HA       CYS  11  -0.542   3.912 -12.828
   46   1HB   CYS  11          1HB       CYS  11   0.615   2.560 -15.282
   47   2HB   CYS  11          2HB       CYS  11   1.350   3.975 -14.527
   48    H    PHE  12           H        PHE  12  -0.291   6.068 -13.804
   49    HA   PHE  12           HA       PHE  12  -2.208   6.532 -16.065
   50   1HB   PHE  12          1HB       PHE  12  -1.365   8.379 -13.808
   51   2HB   PHE  12          2HB       PHE  12  -2.664   8.662 -14.966
   52    HD1  PHE  12           HD1      PHE  12  -3.925   5.996 -15.127
   53    HD2  PHE  12           HD2      PHE  12  -2.448   8.159 -11.723
   54    HE1  PHE  12           HE1      PHE  12  -5.501   4.765 -13.661
   55    HE2  PHE  12           HE2      PHE  12  -4.023   6.928 -10.257
   56    HZ   PHE  12           HZ       PHE  12  -5.550   5.230 -11.226
   57    HA   PRO  13           HA       PRO  13   0.989   8.303 -18.506
   58   1HB   PRO  13          1HB       PRO  13  -0.492  10.681 -19.165
   59   2HB   PRO  13          2HB       PRO  13  -0.274   9.229 -20.144
   60   1HG   PRO  13          1HG       PRO  13  -2.652  10.109 -18.789
   61   2HG   PRO  13          2HG       PRO  13  -2.437   8.661 -19.776
   62   1HD   PRO  13          1HD       PRO  13  -2.740   8.820 -16.911
   63   2HD   PRO  13          2HD       PRO  13  -2.507   7.362 -17.904
   64    H    ASP  14           H        ASP  14  -0.347   9.960 -15.801
   65    HA   ASP  14           HA       ASP  14   1.295  12.346 -15.861
   66   1HB   ASP  14          1HB       ASP  14   0.518  12.475 -13.482
   67   2HB   ASP  14          2HB       ASP  14  -0.801  12.173 -14.614
   68    H    GLY   1           H        GLY   1   2.110   9.113 -15.414
   69   1HA   GLY   1          1HA       GLY   1   4.726   9.874 -14.279
   70   2HA   GLY   1          2HA       GLY   1   4.311   8.300 -14.959
   71    H    ARG   2           H        ARG   2   1.738   8.551 -13.218
   72    HA   ARG   2           HA       ARG   2   3.017   7.805 -10.607
   73   1HB   ARG   2          1HB       ARG   2   0.234   8.842 -11.237
   74   2HB   ARG   2          2HB       ARG   2   0.893   8.566  -9.625
   75   1HG   ARG   2          1HG       ARG   2   2.778  10.186 -10.319
   76   2HG   ARG   2          2HG       ARG   2   1.722  10.641 -11.657
   77   1HD   ARG   2          1HD       ARG   2   0.831  10.689  -8.753
   78   2HD   ARG   2          2HD       ARG   2   1.463  12.109  -9.608
   79    HE   ARG   2           HE       ARG   2  -0.657  10.700 -11.064
   80   1HH1  ARG   2          1HH1      ARG   2  -0.118  12.770  -8.383
   81   2HH1  ARG   2          2HH1      ARG   2  -1.458  13.809  -8.735
   82   1HH2  ARG   2          1HH2      ARG   2  -2.287  12.181 -11.683
   83   2HH2  ARG   2          2HH2      ARG   2  -2.686  13.476 -10.604
   84    H    CYS   3           H        CYS   3   2.240   5.894  -9.573
   85    HA   CYS   3           HA       CYS   3   0.472   4.145 -11.254
   86   1HB   CYS   3          1HB       CYS   3   3.103   3.665  -9.866
   87   2HB   CYS   3          2HB       CYS   3   2.009   2.317 -10.178
   88    H    THR   4           H        THR   4  -0.810   2.609 -10.005
   89    HA   THR   4           HA       THR   4  -2.015   3.622  -7.649
   90    HB   THR   4           HB       THR   4  -2.563   0.986  -7.529
   91    HG1  THR   4           HG1      THR   4  -1.643  -0.025  -9.098
   92   1HG2  THR   4          1HG2      THR   4  -3.665   3.287  -8.788
   93   2HG2  THR   4          2HG2      THR   4  -3.828   1.941  -9.915
   94   3HG2  THR   4          3HG2      THR   4  -4.505   1.818  -8.291
   95    H    LYS   5           H        LYS   5   0.837   1.610  -8.073
   96    HA   LYS   5           HA       LYS   5   1.107   0.447  -5.518
   97   1HB   LYS   5          1HB       LYS   5   3.153   1.611  -7.434
   98   2HB   LYS   5          2HB       LYS   5   3.553   0.540  -6.091
   99   1HG   LYS   5          1HG       LYS   5   2.047  -1.188  -7.051
  100   2HG   LYS   5          2HG       LYS   5   1.723  -0.122  -8.418
  101   1HD   LYS   5          1HD       LYS   5   4.271  -0.065  -8.763
  102   2HD   LYS   5          2HD       LYS   5   4.337  -1.433  -7.651
  103   1HE   LYS   5          1HE       LYS   5   3.644  -2.861  -9.275
  104   2HE   LYS   5          2HE       LYS   5   2.276  -1.811  -9.688
  105   1HZ   LYS   5          1HZ       LYS   5   4.056  -0.304 -10.701
  106   2HZ   LYS   5          2HZ       LYS   5   5.079  -1.658 -10.635
  107   3HZ   LYS   5          3HZ       LYS   5   3.655  -1.710 -11.560

  No H/Q in entry =         107
  Start of MODEL    9
    1    H1   SER   6           H1       SER   6  -6.359  -2.572  -8.106
    2    H2   SER   6           H2       SER   6  -6.390  -0.925  -8.512
    3    H3   SER   6           H3       SER   6  -6.583  -2.102  -9.723
    4    HA   SER   6           HA       SER   6  -4.370  -1.423  -9.978
    5   1HB   SER   6          1HB       SER   6  -4.574  -1.342  -6.969
    6   2HB   SER   6          2HB       SER   6  -2.997  -1.337  -7.760
    7    HG   SER   6           HG       SER   6  -4.421   0.729  -7.322
    8    H    ILE   7           H        ILE   7  -5.628  -3.985 -10.117
    9    HA   ILE   7           HA       ILE   7  -3.289  -5.719  -9.501
   10    HB   ILE   7           HB       ILE   7  -6.148  -6.139  -8.573
   11   1HG1  ILE   7          1HG1      ILE   7  -4.751  -4.638  -7.176
   12   2HG1  ILE   7          2HG1      ILE   7  -5.122  -6.146  -6.338
   13   1HG2  ILE   7          1HG2      ILE   7  -3.868  -8.014  -8.964
   14   2HG2  ILE   7          2HG2      ILE   7  -4.777  -8.179  -7.461
   15   3HG2  ILE   7          3HG2      ILE   7  -5.603  -8.326  -9.013
   16   1HD1  ILE   7          1HD1      ILE   7  -2.725  -6.493  -7.893
   17   2HD1  ILE   7          2HD1      ILE   7  -2.558  -5.057  -6.884
   18   3HD1  ILE   7          3HD1      ILE   7  -2.929  -6.614  -6.145
   19    HA   PRO   8           HA       PRO   8  -1.967  -6.273 -10.868
   20   1HB   PRO   8          1HB       PRO   8  -1.455  -5.162 -13.471
   21   2HB   PRO   8          2HB       PRO   8  -0.893  -6.702 -12.817
   22   1HG   PRO   8          1HG       PRO   8  -2.877  -6.271 -14.843
   23   2HG   PRO   8          2HG       PRO   8  -2.331  -7.810 -14.173
   24   1HD   PRO   8          1HD       PRO   8  -4.863  -6.478 -13.742
   25   2HD   PRO   8          2HD       PRO   8  -4.326  -8.045 -13.096
   26    HA   PRO   9           HA       PRO   9  -2.166  -1.974  -9.944
   27   1HB   PRO   9          1HB       PRO   9   0.480  -1.325 -10.868
   28   2HB   PRO   9          2HB       PRO   9  -0.052  -1.621  -9.210
   29   1HG   PRO   9          1HG       PRO   9   1.564  -3.314 -10.879
   30   2HG   PRO   9          2HG       PRO   9   1.041  -3.606  -9.219
   31   1HD   PRO   9          1HD       PRO   9   0.122  -4.918 -11.618
   32   2HD   PRO   9          2HD       PRO   9  -0.417  -5.201  -9.946
   33    H    ILE  10           H        ILE  10  -2.453   0.100 -10.983
   34    HA   ILE  10           HA       ILE  10  -2.317   0.001 -13.981
   35    HB   ILE  10           HB       ILE  10  -4.216   1.489 -12.135
   36   1HG1  ILE  10          1HG1      ILE  10  -4.732  -0.958 -13.849
   37   2HG1  ILE  10          2HG1      ILE  10  -4.424  -1.024 -12.114
   38   1HG2  ILE  10          1HG2      ILE  10  -3.565   1.933 -14.826
   39   2HG2  ILE  10          2HG2      ILE  10  -5.076   1.024 -14.875
   40   3HG2  ILE  10          3HG2      ILE  10  -4.986   2.540 -13.977
   41   1HD1  ILE  10          1HD1      ILE  10  -6.581   0.767 -13.218
   42   2HD1  ILE  10          2HD1      ILE  10  -6.898  -0.943 -12.929
   43   3HD1  ILE  10          3HD1      ILE  10  -6.423   0.103 -11.591
   44    H    CYS  11           H        CYS  11  -1.160   1.637 -14.955
   45    HA   CYS  11           HA       CYS  11  -0.016   3.758 -13.189
   46   1HB   CYS  11          1HB       CYS  11   0.761   2.373 -15.744
   47   2HB   CYS  11          2HB       CYS  11   1.469   3.941 -15.355
   48    H    PHE  12           H        PHE  12   0.152   5.960 -14.166
   49    HA   PHE  12           HA       PHE  12  -2.087   6.519 -16.087
   50   1HB   PHE  12          1HB       PHE  12  -1.092   8.249 -13.803
   51   2HB   PHE  12          2HB       PHE  12  -2.551   8.494 -14.762
   52    HD1  PHE  12           HD1      PHE  12  -3.882   5.999 -14.931
   53    HD2  PHE  12           HD2      PHE  12  -1.608   7.561 -11.638
   54    HE1  PHE  12           HE1      PHE  12  -5.151   4.552 -13.368
   55    HE2  PHE  12           HE2      PHE  12  -2.878   6.114 -10.075
   56    HZ   PHE  12           HZ       PHE  12  -4.650   4.609 -10.940
   57    HA   PRO  13           HA       PRO  13   0.820   8.564 -18.678
   58   1HB   PRO  13          1HB       PRO  13  -0.897  10.821 -19.160
   59   2HB   PRO  13          2HB       PRO  13  -0.624   9.421 -20.200
   60   1HG   PRO  13          1HG       PRO  13  -2.971  10.053 -18.663
   61   2HG   PRO  13          2HG       PRO  13  -2.702   8.660 -19.714
   62   1HD   PRO  13          1HD       PRO  13  -2.826   8.702 -16.833
   63   2HD   PRO  13          2HD       PRO  13  -2.533   7.301 -17.891
   64    H    ASP  14           H        ASP  14  -0.511  10.064 -15.866
   65    HA   ASP  14           HA       ASP  14   1.040  12.531 -15.973
   66   1HB   ASP  14          1HB       ASP  14   0.202  12.719 -13.636
   67   2HB   ASP  14          2HB       ASP  14  -1.089  12.292 -14.760
   68    H    GLY   1           H        GLY   1   2.020   9.386 -15.622
   69   1HA   GLY   1          1HA       GLY   1   4.559  10.198 -14.401
   70   2HA   GLY   1          2HA       GLY   1   4.186   8.602 -15.052
   71    H    ARG   2           H        ARG   2   1.637   8.547 -13.438
   72    HA   ARG   2           HA       ARG   2   2.887   7.978 -10.768
   73   1HB   ARG   2          1HB       ARG   2   0.173   9.107 -11.518
   74   2HB   ARG   2          2HB       ARG   2   0.617   8.633  -9.879
   75   1HG   ARG   2          1HG       ARG   2   2.580  10.214 -10.047
   76   2HG   ARG   2          2HG       ARG   2   1.913  10.782 -11.578
   77   1HD   ARG   2          1HD       ARG   2  -0.241  11.305 -10.334
   78   2HD   ARG   2          2HD       ARG   2   0.637  10.972  -8.829
   79    HE   ARG   2           HE       ARG   2   1.938  12.942  -9.201
   80   1HH1  ARG   2          1HH1      ARG   2  -0.809  13.216 -10.937
   81   2HH1  ARG   2          2HH1      ARG   2  -0.169  14.192 -12.217
   82   1HH2  ARG   2          1HH2      ARG   2   3.136  13.719 -11.281
   83   2HH2  ARG   2          2HH2      ARG   2   2.065  14.476 -12.412
   84    H    CYS   3           H        CYS   3   2.465   5.935  -9.953
   85    HA   CYS   3           HA       CYS   3   0.456   4.254 -11.420
   86   1HB   CYS   3          1HB       CYS   3   3.218   3.608 -10.346
   87   2HB   CYS   3          2HB       CYS   3   2.098   2.388 -10.950
   88    H    THR   4           H        THR   4  -0.508   2.541 -10.073
   89    HA   THR   4           HA       THR   4  -0.940   3.432  -7.295
   90    HB   THR   4           HB       THR   4  -2.744   1.811  -7.383
   91    HG1  THR   4           HG1      THR   4  -1.275   0.866  -9.595
   92   1HG2  THR   4          1HG2      THR   4  -2.787   3.973  -8.829
   93   2HG2  THR   4          2HG2      THR   4  -2.610   2.873 -10.197
   94   3HG2  THR   4          3HG2      THR   4  -4.009   2.738  -9.132
   95    H    LYS   5           H        LYS   5  -0.736   1.869  -5.488
   96    HA   LYS   5           HA       LYS   5   1.558  -0.011  -5.911
   97   1HB   LYS   5          1HB       LYS   5   0.519   1.525  -3.511
   98   2HB   LYS   5          2HB       LYS   5   1.842   0.362  -3.426
   99   1HG   LYS   5          1HG       LYS   5   3.048   1.698  -5.175
  100   2HG   LYS   5          2HG       LYS   5   1.765   2.903  -5.080
  101   1HD   LYS   5          1HD       LYS   5   2.238   3.172  -2.650
  102   2HD   LYS   5          2HD       LYS   5   3.568   2.026  -2.803
  103   1HE   LYS   5          1HE       LYS   5   3.843   4.025  -4.855
  104   2HE   LYS   5          2HE       LYS   5   3.649   4.828  -3.285
  105   1HZ   LYS   5          1HZ       LYS   5   5.245   3.040  -2.444
  106   2HZ   LYS   5          2HZ       LYS   5   5.628   2.770  -4.077
  107   3HZ   LYS   5          3HZ       LYS   5   5.913   4.290  -3.379

  No H/Q in entry =         107
  Start of MODEL   10
    1    H1   SER   6           H1       SER   6  -6.126  -2.842  -8.282
    2    H2   SER   6           H2       SER   6  -6.047  -1.166  -8.552
    3    H3   SER   6           H3       SER   6  -5.710  -2.249  -9.816
    4    HA   SER   6           HA       SER   6  -3.638  -1.361  -8.978
    5   1HB   SER   6          1HB       SER   6  -4.073  -2.599  -6.323
    6   2HB   SER   6          2HB       SER   6  -3.345  -1.045  -6.730
    7    HG   SER   6           HG       SER   6  -5.564  -1.196  -5.663
    8    H    ILE   7           H        ILE   7  -5.183  -4.108  -9.609
    9    HA   ILE   7           HA       ILE   7  -2.705  -5.715  -9.611
   10    HB   ILE   7           HB       ILE   7  -3.810  -7.535  -8.319
   11   1HG1  ILE   7          1HG1      ILE   7  -5.884  -6.052  -7.057
   12   2HG1  ILE   7          2HG1      ILE   7  -6.108  -5.878  -8.798
   13   1HG2  ILE   7          1HG2      ILE   7  -2.416  -5.680  -7.247
   14   2HG2  ILE   7          2HG2      ILE   7  -3.943  -4.934  -6.777
   15   3HG2  ILE   7          3HG2      ILE   7  -3.519  -6.533  -6.166
   16   1HD1  ILE   7          1HD1      ILE   7  -5.535  -8.522  -8.668
   17   2HD1  ILE   7          2HD1      ILE   7  -6.302  -8.304  -7.096
   18   3HD1  ILE   7          3HD1      ILE   7  -7.179  -7.890  -8.569
   19    HA   PRO   8           HA       PRO   8  -1.731  -6.152 -11.291
   20   1HB   PRO   8          1HB       PRO   8  -1.933  -4.860 -13.854
   21   2HB   PRO   8          2HB       PRO   8  -1.160  -6.399 -13.470
   22   1HG   PRO   8          1HG       PRO   8  -3.607  -5.968 -14.905
   23   2HG   PRO   8          2HG       PRO   8  -2.841  -7.507 -14.510
   24   1HD   PRO   8          1HD       PRO   8  -5.243  -6.373 -13.369
   25   2HD   PRO   8          2HD       PRO   8  -4.481  -7.934 -12.985
   26    HA   PRO   9           HA       PRO   9  -2.033  -1.972  -9.930
   27   1HB   PRO   9          1HB       PRO   9   0.497  -1.186 -11.054
   28   2HB   PRO   9          2HB       PRO   9   0.139  -1.624  -9.381
   29   1HG   PRO   9          1HG       PRO   9   1.613  -3.141 -11.326
   30   2HG   PRO   9          2HG       PRO   9   1.257  -3.576  -9.653
   31   1HD   PRO   9          1HD       PRO   9   0.131  -4.711 -12.057
   32   2HD   PRO   9          2HD       PRO   9  -0.232  -5.148 -10.371
   33    H    ILE  10           H        ILE  10  -2.331   0.221 -10.776
   34    HA   ILE  10           HA       ILE  10  -2.538   0.334 -13.769
   35    HB   ILE  10           HB       ILE  10  -4.270   1.609 -11.625
   36   1HG1  ILE  10          1HG1      ILE  10  -4.846  -0.691 -13.518
   37   2HG1  ILE  10          2HG1      ILE  10  -4.511  -0.861 -11.795
   38   1HG2  ILE  10          1HG2      ILE  10  -4.549   1.504 -14.646
   39   2HG2  ILE  10          2HG2      ILE  10  -5.742   2.178 -13.535
   40   3HG2  ILE  10          3HG2      ILE  10  -4.159   2.938 -13.694
   41   1HD1  ILE  10          1HD1      ILE  10  -6.463   0.779 -11.431
   42   2HD1  ILE  10          2HD1      ILE  10  -6.881   0.467 -13.116
   43   3HD1  ILE  10          3HD1      ILE  10  -6.881  -0.855 -11.949
   44    H    CYS  11           H        CYS  11  -1.423   2.014 -14.701
   45    HA   CYS  11           HA       CYS  11  -0.413   4.187 -12.894
   46   1HB   CYS  11          1HB       CYS  11   0.747   2.863 -15.365
   47   2HB   CYS  11          2HB       CYS  11   1.476   4.256 -14.565
   48    H    PHE  12           H        PHE  12  -0.278   6.331 -13.880
   49    HA   PHE  12           HA       PHE  12  -2.249   6.705 -16.108
   50   1HB   PHE  12          1HB       PHE  12  -1.309   8.669 -13.997
   51   2HB   PHE  12          2HB       PHE  12  -2.701   8.844 -15.064
   52    HD1  PHE  12           HD1      PHE  12  -4.137   6.408 -15.004
   53    HD2  PHE  12           HD2      PHE  12  -1.962   8.265 -11.799
   54    HE1  PHE  12           HE1      PHE  12  -5.552   5.216 -13.353
   55    HE2  PHE  12           HE2      PHE  12  -3.377   7.072 -10.148
   56    HZ   PHE  12           HZ       PHE  12  -5.171   5.548 -10.925
   57    HA   PRO  13           HA       PRO  13   0.801   8.435 -18.753
   58   1HB   PRO  13          1HB       PRO  13  -0.672  10.836 -19.341
   59   2HB   PRO  13          2HB       PRO  13  -0.546   9.370 -20.317
   60   1HG   PRO  13          1HG       PRO  13  -2.817  10.310 -18.830
   61   2HG   PRO  13          2HG       PRO  13  -2.690   8.845 -19.808
   62   1HD   PRO  13          1HD       PRO  13  -2.805   9.050 -16.929
   63   2HD   PRO  13          2HD       PRO  13  -2.676   7.574 -17.914
   64    H    ASP  14           H        ASP  14  -0.320  10.121 -15.976
   65    HA   ASP  14           HA       ASP  14   1.451  12.438 -16.192
   66   1HB   ASP  14          1HB       ASP  14   0.642  12.802 -13.867
   67   2HB   ASP  14          2HB       ASP  14  -0.690  12.451 -14.970
   68    H    GLY   1           H        GLY   1   2.133   9.236 -15.748
   69   1HA   GLY   1          1HA       GLY   1   4.734   9.841 -14.537
   70   2HA   GLY   1          2HA       GLY   1   4.215   8.270 -15.149
   71    H    ARG   2           H        ARG   2   1.659   8.580 -13.517
   72    HA   ARG   2           HA       ARG   2   2.822   8.096 -10.796
   73   1HB   ARG   2          1HB       ARG   2   1.231   9.993 -11.096
   74   2HB   ARG   2          2HB       ARG   2   0.013   8.854 -11.666
   75   1HG   ARG   2          1HG       ARG   2   0.128   7.657  -9.505
   76   2HG   ARG   2          2HG       ARG   2   1.335   8.809  -8.935
   77   1HD   ARG   2          1HD       ARG   2  -0.311  10.655  -9.229
   78   2HD   ARG   2          2HD       ARG   2  -1.525   9.466  -9.740
   79    HE   ARG   2           HE       ARG   2  -0.158   9.238  -7.081
   80   1HH1  ARG   2          1HH1      ARG   2  -2.326   7.395  -8.429
   81   2HH1  ARG   2          2HH1      ARG   2  -3.700   7.827  -7.466
   82   1HH2  ARG   2          1HH2      ARG   2  -2.199  10.645  -6.113
   83   2HH2  ARG   2          2HH2      ARG   2  -3.628   9.667  -6.155
   84    H    CYS   3           H        CYS   3   2.450   6.101  -9.840
   85    HA   CYS   3           HA       CYS   3   0.709   4.170 -11.342
   86   1HB   CYS   3          1HB       CYS   3   3.438   3.973 -10.087
   87   2HB   CYS   3          2HB       CYS   3   2.450   2.523 -10.270
   88    H    THR   4           H        THR   4  -0.315   2.524  -9.963
   89    HA   THR   4           HA       THR   4  -0.727   3.491  -7.155
   90    HB   THR   4           HB       THR   4  -2.942   2.397  -7.409
   91    HG1  THR   4           HG1      THR   4  -3.433   1.693  -9.588
   92   1HG2  THR   4          1HG2      THR   4  -2.230   4.783  -8.372
   93   2HG2  THR   4          2HG2      THR   4  -2.659   4.014  -9.901
   94   3HG2  THR   4          3HG2      THR   4  -3.855   4.139  -8.610
   95    H    LYS   5           H        LYS   5  -1.300   1.645  -5.614
   96    HA   LYS   5           HA       LYS   5   0.767  -0.367  -5.643
   97   1HB   LYS   5          1HB       LYS   5  -1.774   0.029  -4.034
   98   2HB   LYS   5          2HB       LYS   5  -0.540  -1.166  -3.635
   99   1HG   LYS   5          1HG       LYS   5   1.142   0.677  -3.512
  100   2HG   LYS   5          2HG       LYS   5  -0.155   1.839  -3.791
  101   1HD   LYS   5          1HD       LYS   5  -1.314   0.968  -1.757
  102   2HD   LYS   5          2HD       LYS   5   0.065  -0.089  -1.459
  103   1HE   LYS   5          1HE       LYS   5   0.954   2.643  -1.910
  104   2HE   LYS   5          2HE       LYS   5  -0.209   2.562  -0.573
  105   1HZ   LYS   5          1HZ       LYS   5   1.799   0.441  -0.776
  106   2HZ   LYS   5          2HZ       LYS   5   2.332   1.958  -0.233
  107   3HZ   LYS   5          3HZ       LYS   5   1.103   1.140   0.608

  No H/Q in entry =         107
  Start of MODEL   11
    1    H1   SER   6           H1       SER   6  -5.757  -2.855  -7.556
    2    H2   SER   6           H2       SER   6  -5.914  -1.244  -8.076
    3    H3   SER   6           H3       SER   6  -6.125  -2.521  -9.178
    4    HA   SER   6           HA       SER   6  -3.968  -1.605  -9.577
    5   1HB   SER   6          1HB       SER   6  -2.421  -1.396  -7.631
    6   2HB   SER   6          2HB       SER   6  -3.882  -0.431  -7.421
    7    HG   SER   6           HG       SER   6  -2.985  -2.146  -5.749
    8    H    ILE   7           H        ILE   7  -5.204  -4.204  -9.763
    9    HA   ILE   7           HA       ILE   7  -2.775  -5.883  -9.694
   10    HB   ILE   7           HB       ILE   7  -3.559  -6.224  -7.465
   11   1HG1  ILE   7          1HG1      ILE   7  -4.711  -8.402  -9.237
   12   2HG1  ILE   7          2HG1      ILE   7  -3.056  -8.322  -8.633
   13   1HG2  ILE   7          1HG2      ILE   7  -6.259  -6.149  -8.785
   14   2HG2  ILE   7          2HG2      ILE   7  -6.067  -6.982  -7.242
   15   3HG2  ILE   7          3HG2      ILE   7  -5.688  -5.264  -7.370
   16   1HD1  ILE   7          1HD1      ILE   7  -5.029  -8.064  -6.492
   17   2HD1  ILE   7          2HD1      ILE   7  -5.191  -9.585  -7.369
   18   3HD1  ILE   7          3HD1      ILE   7  -3.652  -9.159  -6.619
   19    HA   PRO   8           HA       PRO   8  -1.846  -6.322 -11.409
   20   1HB   PRO   8          1HB       PRO   8  -2.142  -5.082 -13.988
   21   2HB   PRO   8          2HB       PRO   8  -1.340  -6.605 -13.599
   22   1HG   PRO   8          1HG       PRO   8  -3.841  -6.224 -14.960
   23   2HG   PRO   8          2HG       PRO   8  -3.038  -7.748 -14.572
   24   1HD   PRO   8          1HD       PRO   8  -5.418  -6.645 -13.369
   25   2HD   PRO   8          2HD       PRO   8  -4.607  -8.178 -12.975
   26    HA   PRO   9           HA       PRO   9  -2.237  -2.138 -10.066
   27   1HB   PRO   9          1HB       PRO   9   0.358  -1.396 -11.059
   28   2HB   PRO   9          2HB       PRO   9  -0.096  -1.807  -9.404
   29   1HG   PRO   9          1HG       PRO   9   1.466  -3.366 -11.244
   30   2HG   PRO   9          2HG       PRO   9   1.011  -3.776  -9.588
   31   1HD   PRO   9          1HD       PRO   9   0.007  -4.926 -12.039
   32   2HD   PRO   9          2HD       PRO   9  -0.450  -5.341 -10.370
   33    H    ILE  10           H        ILE  10  -2.491   0.035 -10.955
   34    HA   ILE  10           HA       ILE  10  -2.450   0.142 -13.955
   35    HB   ILE  10           HB       ILE  10  -4.451   1.293 -11.980
   36   1HG1  ILE  10          1HG1      ILE  10  -4.798  -0.922 -14.020
   37   2HG1  ILE  10          2HG1      ILE  10  -4.493  -1.208 -12.308
   38   1HG2  ILE  10          1HG2      ILE  10  -4.171   1.442 -14.982
   39   2HG2  ILE  10          2HG2      ILE  10  -5.739   1.634 -14.198
   40   3HG2  ILE  10          3HG2      ILE  10  -4.430   2.759 -13.837
   41   1HD1  ILE  10          1HD1      ILE  10  -6.528   0.232 -11.819
   42   2HD1  ILE  10          2HD1      ILE  10  -6.878   0.187 -13.547
   43   3HD1  ILE  10          3HD1      ILE  10  -6.875  -1.307 -12.608
   44    H    CYS  11           H        CYS  11  -1.377   1.914 -14.781
   45    HA   CYS  11           HA       CYS  11  -0.615   4.084 -12.854
   46   1HB   CYS  11          1HB       CYS  11   1.108   2.432 -13.876
   47   2HB   CYS  11          2HB       CYS  11   0.857   3.324 -15.377
   48    H    PHE  12           H        PHE  12  -0.353   6.247 -13.885
   49    HA   PHE  12           HA       PHE  12  -2.245   6.605 -16.187
   50   1HB   PHE  12          1HB       PHE  12  -1.511   8.502 -13.933
   51   2HB   PHE  12          2HB       PHE  12  -2.778   8.748 -15.134
   52    HD1  PHE  12           HD1      PHE  12  -4.097   6.178 -15.338
   53    HD2  PHE  12           HD2      PHE  12  -2.532   8.150 -11.856
   54    HE1  PHE  12           HE1      PHE  12  -5.690   4.924 -13.909
   55    HE2  PHE  12           HE2      PHE  12  -4.125   6.895 -10.429
   56    HZ   PHE  12           HZ       PHE  12  -5.704   5.282 -11.455
   57    HA   PRO  13           HA       PRO  13   0.906   8.499 -18.596
   58   1HB   PRO  13          1HB       PRO  13  -0.611  10.862 -19.224
   59   2HB   PRO  13          2HB       PRO  13  -0.370   9.425 -20.222
   60   1HG   PRO  13          1HG       PRO  13  -2.764  10.251 -18.864
   61   2HG   PRO  13          2HG       PRO  13  -2.524   8.816 -19.864
   62   1HD   PRO  13          1HD       PRO  13  -2.829   8.946 -16.996
   63   2HD   PRO  13          2HD       PRO  13  -2.584   7.499 -18.004
   64    H    ASP  14           H        ASP  14  -0.503  10.143 -15.903
   65    HA   ASP  14           HA       ASP  14   1.010  12.570 -15.877
   66   1HB   ASP  14          1HB       ASP  14   0.416  12.500 -13.447
   67   2HB   ASP  14          2HB       ASP  14  -0.961  12.136 -14.487
   68    H    GLY   1           H        GLY   1   1.959   9.295 -15.352
   69   1HA   GLY   1          1HA       GLY   1   4.661  10.235 -14.548
   70   2HA   GLY   1          2HA       GLY   1   4.292   8.653 -15.235
   71    H    ARG   2           H        ARG   2   1.878   8.615 -13.298
   72    HA   ARG   2           HA       ARG   2   3.454   7.755 -10.892
   73   1HB   ARG   2          1HB       ARG   2   0.805   9.215 -11.116
   74   2HB   ARG   2          2HB       ARG   2   1.441   8.569  -9.604
   75   1HG   ARG   2          1HG       ARG   2   3.506   9.950  -9.948
   76   2HG   ARG   2          2HG       ARG   2   2.738  10.672 -11.362
   77   1HD   ARG   2          1HD       ARG   2   1.647  10.774  -8.523
   78   2HD   ARG   2          2HD       ARG   2   2.407  12.122  -9.391
   79    HE   ARG   2           HE       ARG   2  -0.129  10.783 -10.273
   80   1HH1  ARG   2          1HH1      ARG   2   2.119  12.834 -11.540
   81   2HH1  ARG   2          2HH1      ARG   2   1.058  14.185 -11.770
   82   1HH2  ARG   2          1HH2      ARG   2  -1.545  12.789  -9.954
   83   2HH2  ARG   2          2HH2      ARG   2  -1.016  14.159 -10.873
   84    H    CYS   3           H        CYS   3   3.002   5.674 -10.236
   85    HA   CYS   3           HA       CYS   3   0.710   4.279 -11.566
   86   1HB   CYS   3          1HB       CYS   3   3.269   3.217 -10.325
   87   2HB   CYS   3          2HB       CYS   3   2.082   2.264 -11.216
   88    H    THR   4           H        THR   4  -0.618   2.897 -10.259
   89    HA   THR   4           HA       THR   4  -0.868   3.763  -7.455
   90    HB   THR   4           HB       THR   4  -2.948   2.472  -7.594
   91    HG1  THR   4           HG1      THR   4  -1.584   1.367  -9.748
   92   1HG2  THR   4          1HG2      THR   4  -2.226   4.168  -9.980
   93   2HG2  THR   4          2HG2      THR   4  -3.847   3.504  -9.784
   94   3HG2  THR   4          3HG2      THR   4  -3.195   4.608  -8.574
   95    H    LYS   5           H        LYS   5  -1.396   1.843  -5.859
   96    HA   LYS   5           HA       LYS   5   0.169  -0.613  -6.356
   97   1HB   LYS   5          1HB       LYS   5   0.909   1.516  -4.325
   98   2HB   LYS   5          2HB       LYS   5   1.583  -0.114  -4.318
   99   1HG   LYS   5          1HG       LYS   5   2.308   0.287  -6.715
  100   2HG   LYS   5          2HG       LYS   5   1.844   1.974  -6.497
  101   1HD   LYS   5          1HD       LYS   5   3.401   2.121  -4.561
  102   2HD   LYS   5          2HD       LYS   5   3.902   0.458  -4.861
  103   1HE   LYS   5          1HE       LYS   5   4.172   1.649  -7.359
  104   2HE   LYS   5          2HE       LYS   5   4.722   2.910  -6.239
  105   1HZ   LYS   5          1HZ       LYS   5   5.810   0.808  -5.090
  106   2HZ   LYS   5          2HZ       LYS   5   5.781   0.216  -6.682
  107   3HZ   LYS   5          3HZ       LYS   5   6.609   1.656  -6.322

  No H/Q in entry =         107
  Start of MODEL   12
    1    H1   SER   6           H1       SER   6  -5.484  -2.497 -10.757
    2    H2   SER   6           H2       SER   6  -6.603  -2.811  -9.522
    3    H3   SER   6           H3       SER   6  -6.113  -1.215  -9.837
    4    HA   SER   6           HA       SER   6  -3.949  -1.589  -8.990
    5   1HB   SER   6          1HB       SER   6  -4.568  -2.060  -6.715
    6   2HB   SER   6          2HB       SER   6  -5.986  -1.331  -7.471
    7    HG   SER   6           HG       SER   6  -6.197  -3.399  -6.201
    8    H    ILE   7           H        ILE   7  -5.612  -4.445  -9.981
    9    HA   ILE   7           HA       ILE   7  -3.092  -6.006  -9.707
   10    HB   ILE   7           HB       ILE   7  -4.290  -6.500  -7.681
   11   1HG1  ILE   7          1HG1      ILE   7  -4.779  -8.880  -7.951
   12   2HG1  ILE   7          2HG1      ILE   7  -4.945  -8.673  -9.695
   13   1HG2  ILE   7          1HG2      ILE   7  -6.560  -5.948  -9.317
   14   2HG2  ILE   7          2HG2      ILE   7  -6.754  -7.578  -8.670
   15   3HG2  ILE   7          3HG2      ILE   7  -6.520  -6.216  -7.575
   16   1HD1  ILE   7          1HD1      ILE   7  -2.578  -7.920  -9.807
   17   2HD1  ILE   7          2HD1      ILE   7  -2.423  -8.202  -8.074
   18   3HD1  ILE   7          3HD1      ILE   7  -2.717  -9.556  -9.164
   19    HA   PRO   8           HA       PRO   8  -1.841  -6.358 -11.228
   20   1HB   PRO   8          1HB       PRO   8  -1.660  -4.960 -13.736
   21   2HB   PRO   8          2HB       PRO   8  -0.922  -6.501 -13.294
   22   1HG   PRO   8          1HG       PRO   8  -3.123  -6.047 -15.083
   23   2HG   PRO   8          2HG       PRO   8  -2.383  -7.587 -14.642
   24   1HD   PRO   8          1HD       PRO   8  -4.968  -6.574 -13.851
   25   2HD   PRO   8          2HD       PRO   8  -4.220  -8.125 -13.405
   26    HA   PRO   9           HA       PRO   9  -2.330  -2.218  -9.815
   27   1HB   PRO   9          1HB       PRO   9   0.214  -1.280 -10.774
   28   2HB   PRO   9          2HB       PRO   9  -0.211  -1.787  -9.138
   29   1HG   PRO   9          1HG       PRO   9   1.434  -3.171 -11.046
   30   2HG   PRO   9          2HG       PRO   9   1.016  -3.673  -9.406
   31   1HD   PRO   9          1HD       PRO   9   0.073  -4.791 -11.892
   32   2HD   PRO   9          2HD       PRO   9  -0.362  -5.287 -10.240
   33    H    ILE  10           H        ILE  10  -2.597   0.023 -10.607
   34    HA   ILE  10           HA       ILE  10  -2.889   0.143 -13.589
   35    HB   ILE  10           HB       ILE  10  -4.309   1.589 -11.326
   36   1HG1  ILE  10          1HG1      ILE  10  -5.007  -0.713 -11.411
   37   2HG1  ILE  10          2HG1      ILE  10  -6.265   0.232 -12.207
   38   1HG2  ILE  10          1HG2      ILE  10  -4.657   1.691 -14.336
   39   2HG2  ILE  10          2HG2      ILE  10  -5.851   2.310 -13.194
   40   3HG2  ILE  10          3HG2      ILE  10  -4.242   3.030 -13.265
   41   1HD1  ILE  10          1HD1      ILE  10  -5.177  -0.280 -14.408
   42   2HD1  ILE  10          2HD1      ILE  10  -4.051  -1.339 -13.560
   43   3HD1  ILE  10          3HD1      ILE  10  -5.775  -1.717 -13.578
   44    H    CYS  11           H        CYS  11  -1.815   1.783 -14.669
   45    HA   CYS  11           HA       CYS  11  -0.324   3.779 -12.993
   46   1HB   CYS  11          1HB       CYS  11   0.331   2.183 -15.462
   47   2HB   CYS  11          2HB       CYS  11   1.183   3.693 -15.140
   48    H    PHE  12           H        PHE  12  -0.032   5.908 -14.036
   49    HA   PHE  12           HA       PHE  12  -2.137   6.510 -16.089
   50   1HB   PHE  12          1HB       PHE  12  -1.285   7.940 -13.562
   51   2HB   PHE  12          2HB       PHE  12  -2.233   8.742 -14.815
   52    HD1  PHE  12           HD1      PHE  12  -2.201   5.929 -12.393
   53    HD2  PHE  12           HD2      PHE  12  -4.559   8.247 -15.135
   54    HE1  PHE  12           HE1      PHE  12  -4.266   4.886 -11.498
   55    HE2  PHE  12           HE2      PHE  12  -6.624   7.204 -14.240
   56    HZ   PHE  12           HZ       PHE  12  -6.477   5.524 -12.422
   57    HA   PRO  13           HA       PRO  13   0.965   8.427 -18.542
   58   1HB   PRO  13          1HB       PRO  13  -0.560  10.815 -19.041
   59   2HB   PRO  13          2HB       PRO  13  -0.363   9.411 -20.093
   60   1HG   PRO  13          1HG       PRO  13  -2.703  10.203 -18.629
   61   2HG   PRO  13          2HG       PRO  13  -2.504   8.796 -19.675
   62   1HD   PRO  13          1HD       PRO  13  -2.705   8.849 -16.794
   63   2HD   PRO  13          2HD       PRO  13  -2.514   7.431 -17.849
   64    H    ASP  14           H        ASP  14  -0.264   9.902 -15.698
   65    HA   ASP  14           HA       ASP  14   1.406  12.296 -15.732
   66   1HB   ASP  14          1HB       ASP  14   0.579  12.448 -13.386
   67   2HB   ASP  14          2HB       ASP  14  -0.732  12.137 -14.525
   68    H    GLY   1           H        GLY   1   2.258   9.122 -15.541
   69   1HA   GLY   1          1HA       GLY   1   4.831   9.744 -14.309
   70   2HA   GLY   1          2HA       GLY   1   4.347   8.179 -14.961
   71    H    ARG   2           H        ARG   2   1.796   8.574 -13.206
   72    HA   ARG   2           HA       ARG   2   3.072   7.690 -10.635
   73   1HB   ARG   2          1HB       ARG   2   0.559   9.290 -11.210
   74   2HB   ARG   2          2HB       ARG   2   0.991   8.693  -9.608
   75   1HG   ARG   2          1HG       ARG   2   3.170   9.923  -9.803
   76   2HG   ARG   2          2HG       ARG   2   2.595  10.614 -11.321
   77   1HD   ARG   2          1HD       ARG   2   1.253  10.939  -8.609
   78   2HD   ARG   2          2HD       ARG   2   2.156  12.192  -9.482
   79    HE   ARG   2           HE       ARG   2   0.437  11.833 -11.353
   80   1HH1  ARG   2          1HH1      ARG   2  -0.666  13.316  -8.936
   81   2HH1  ARG   2          2HH1      ARG   2  -2.171  12.493  -8.692
   82   1HH2  ARG   2          1HH2      ARG   2  -1.310   9.779 -10.670
   83   2HH2  ARG   2          2HH2      ARG   2  -2.535  10.490  -9.674
   84    H    CYS   3           H        CYS   3   2.306   5.753  -9.791
   85    HA   CYS   3           HA       CYS   3   0.056   4.424 -11.271
   86   1HB   CYS   3          1HB       CYS   3   2.591   3.323 -10.014
   87   2HB   CYS   3          2HB       CYS   3   1.314   2.319 -10.703
   88    H    THR   4           H        THR   4  -1.209   2.894  -9.918
   89    HA   THR   4           HA       THR   4  -1.976   4.006  -7.383
   90    HB   THR   4           HB       THR   4  -3.091   1.586  -7.342
   91    HG1  THR   4           HG1      THR   4  -1.985   0.603  -8.931
   92   1HG2  THR   4          1HG2      THR   4  -3.886   4.057  -8.145
   93   2HG2  THR   4          2HG2      THR   4  -4.042   3.166  -9.659
   94   3HG2  THR   4          3HG2      THR   4  -4.917   2.629  -8.226
   95    H    LYS   5           H        LYS   5   0.279   1.462  -8.306
   96    HA   LYS   5           HA       LYS   5   0.625   0.519  -5.537
   97   1HB   LYS   5          1HB       LYS   5   0.706  -0.906  -7.621
   98   2HB   LYS   5          2HB       LYS   5   2.205  -0.083  -8.056
   99   1HG   LYS   5          1HG       LYS   5   3.260  -0.853  -5.983
  100   2HG   LYS   5          2HG       LYS   5   1.753  -1.614  -5.476
  101   1HD   LYS   5          1HD       LYS   5   3.177  -3.327  -6.433
  102   2HD   LYS   5          2HD       LYS   5   1.850  -3.028  -7.555
  103   1HE   LYS   5          1HE       LYS   5   3.381  -2.573  -9.165
  104   2HE   LYS   5          2HE       LYS   5   3.929  -1.184  -8.207
  105   1HZ   LYS   5          1HZ       LYS   5   5.033  -3.094  -6.802
  106   2HZ   LYS   5          2HZ       LYS   5   4.970  -3.929  -8.281
  107   3HZ   LYS   5          3HZ       LYS   5   5.814  -2.462  -8.172

  No H/Q in entry =         107
  Start of MODEL   13
    1    H1   SER   6           H1       SER   6  -4.537  -2.104 -10.262
    2    H2   SER   6           H2       SER   6  -5.805  -2.414  -9.174
    3    H3   SER   6           H3       SER   6  -5.106  -0.868  -9.251
    4    HA   SER   6           HA       SER   6  -3.107  -1.587  -8.253
    5   1HB   SER   6          1HB       SER   6  -5.761  -2.209  -7.161
    6   2HB   SER   6          2HB       SER   6  -4.465  -3.103  -6.366
    7    HG   SER   6           HG       SER   6  -4.359  -1.265  -5.305
    8    H    ILE   7           H        ILE   7  -4.825  -4.031  -9.909
    9    HA   ILE   7           HA       ILE   7  -2.549  -5.821  -9.947
   10    HB   ILE   7           HB       ILE   7  -3.306  -6.234  -7.664
   11   1HG1  ILE   7          1HG1      ILE   7  -4.148  -8.431  -9.580
   12   2HG1  ILE   7          2HG1      ILE   7  -2.537  -8.196  -8.903
   13   1HG2  ILE   7          1HG2      ILE   7  -5.818  -5.640  -8.691
   14   2HG2  ILE   7          2HG2      ILE   7  -5.914  -7.369  -8.355
   15   3HG2  ILE   7          3HG2      ILE   7  -5.488  -6.241  -7.067
   16   1HD1  ILE   7          1HD1      ILE   7  -4.548  -8.270  -6.807
   17   2HD1  ILE   7          2HD1      ILE   7  -4.607  -9.730  -7.794
   18   3HD1  ILE   7          3HD1      ILE   7  -3.103  -9.264  -6.999
   19    HA   PRO   8           HA       PRO   8  -1.739  -6.103 -11.773
   20   1HB   PRO   8          1HB       PRO   8  -2.211  -4.576 -14.166
   21   2HB   PRO   8          2HB       PRO   8  -1.402  -6.137 -14.013
   22   1HG   PRO   8          1HG       PRO   8  -4.002  -5.588 -15.116
   23   2HG   PRO   8          2HG       PRO   8  -3.182  -7.145 -14.989
   24   1HD   PRO   8          1HD       PRO   8  -5.454  -6.224 -13.477
   25   2HD   PRO   8          2HD       PRO   8  -4.599  -7.777 -13.317
   26    HA   PRO   9           HA       PRO   9  -1.886  -2.075  -9.994
   27   1HB   PRO   9          1HB       PRO   9   0.524  -1.174 -11.284
   28   2HB   PRO   9          2HB       PRO   9   0.331  -1.772  -9.634
   29   1HG   PRO   9          1HG       PRO   9   1.600  -3.086 -11.851
   30   2HG   PRO   9          2HG       PRO   9   1.403  -3.687 -10.202
   31   1HD   PRO   9          1HD       PRO   9   0.041  -4.577 -12.589
   32   2HD   PRO   9          2HD       PRO   9  -0.152  -5.187 -10.929
   33    H    ILE  10           H        ILE  10  -2.486   0.082 -10.575
   34    HA   ILE  10           HA       ILE  10  -2.949   0.505 -13.506
   35    HB   ILE  10           HB       ILE  10  -4.347   1.464 -10.994
   36   1HG1  ILE  10          1HG1      ILE  10  -4.904  -0.816 -11.645
   37   2HG1  ILE  10          2HG1      ILE  10  -6.264   0.236 -12.035
   38   1HG2  ILE  10          1HG2      ILE  10  -4.285   2.588 -13.700
   39   2HG2  ILE  10          2HG2      ILE  10  -5.916   2.180 -13.166
   40   3HG2  ILE  10          3HG2      ILE  10  -4.926   3.284 -12.211
   41   1HD1  ILE  10          1HD1      ILE  10  -5.105   0.445 -14.371
   42   2HD1  ILE  10          2HD1      ILE  10  -4.258  -1.026 -13.891
   43   3HD1  ILE  10          3HD1      ILE  10  -6.018  -1.018 -14.003
   44    H    CYS  11           H        CYS  11  -1.980   2.280 -14.452
   45    HA   CYS  11           HA       CYS  11  -0.876   4.414 -12.668
   46   1HB   CYS  11          1HB       CYS  11   0.758   2.558 -13.408
   47   2HB   CYS  11          2HB       CYS  11   0.607   3.240 -15.027
   48    H    PHE  12           H        PHE  12  -0.723   6.484 -13.708
   49    HA   PHE  12           HA       PHE  12  -2.387   6.719 -16.180
   50   1HB   PHE  12          1HB       PHE  12  -1.682   8.492 -13.843
   51   2HB   PHE  12          2HB       PHE  12  -2.354   9.182 -15.320
   52    HD1  PHE  12           HD1      PHE  12  -2.963   6.508 -12.772
   53    HD2  PHE  12           HD2      PHE  12  -4.677   9.157 -15.689
   54    HE1  PHE  12           HE1      PHE  12  -5.237   5.828 -12.054
   55    HE2  PHE  12           HE2      PHE  12  -6.951   8.476 -14.970
   56    HZ   PHE  12           HZ       PHE  12  -7.231   6.812 -13.152
   57    HA   PRO  13           HA       PRO  13   0.927   8.116 -18.701
   58   1HB   PRO  13          1HB       PRO  13  -0.309  10.586 -19.506
   59   2HB   PRO  13          2HB       PRO  13  -0.239   9.063 -20.397
   60   1HG   PRO  13          1HG       PRO  13  -2.519  10.253 -19.119
   61   2HG   PRO  13          2HG       PRO  13  -2.445   8.727 -20.003
   62   1HD   PRO  13          1HD       PRO  13  -2.720   9.117 -17.153
   63   2HD   PRO  13          2HD       PRO  13  -2.660   7.579 -18.045
   64    H    ASP  14           H        ASP  14  -0.210  10.010 -16.077
   65    HA   ASP  14           HA       ASP  14   1.683  12.213 -16.284
   66   1HB   ASP  14          1HB       ASP  14   0.882  12.567 -13.909
   67   2HB   ASP  14          2HB       ASP  14  -0.419  12.442 -15.096
   68    H    GLY   1           H        GLY   1   2.119   8.959 -15.619
   69   1HA   GLY   1          1HA       GLY   1   4.777   9.474 -14.472
   70   2HA   GLY   1          2HA       GLY   1   4.159   7.905 -14.992
   71    H    ARG   2           H        ARG   2   1.632   8.428 -13.397
   72    HA   ARG   2           HA       ARG   2   2.775   7.987 -10.657
   73   1HB   ARG   2          1HB       ARG   2   0.152   9.160 -11.633
   74   2HB   ARG   2          2HB       ARG   2   0.514   8.849  -9.935
   75   1HG   ARG   2          1HG       ARG   2   2.500  10.331 -10.110
   76   2HG   ARG   2          2HG       ARG   2   2.079  10.674 -11.787
   77   1HD   ARG   2          1HD       ARG   2  -0.144  11.546 -10.990
   78   2HD   ARG   2          2HD       ARG   2   0.431  11.345  -9.323
   79    HE   ARG   2           HE       ARG   2   1.922  13.170  -9.670
   80   1HH1  ARG   2          1HH1      ARG   2  -0.237  14.100 -11.621
   81   2HH1  ARG   2          2HH1      ARG   2   0.719  14.486 -13.013
   82   1HH2  ARG   2          1HH2      ARG   2   3.518  12.769 -11.896
   83   2HH2  ARG   2          2HH2      ARG   2   2.845  13.733 -13.168
   84    H    CYS   3           H        CYS   3   2.758   5.779 -10.326
   85    HA   CYS   3           HA       CYS   3   0.471   4.181 -11.387
   86   1HB   CYS   3          1HB       CYS   3   3.113   3.339 -10.152
   87   2HB   CYS   3          2HB       CYS   3   1.989   2.300 -11.028
   88    H    THR   4           H        THR   4  -0.792   2.898  -9.968
   89    HA   THR   4           HA       THR   4  -0.884   3.831  -7.170
   90    HB   THR   4           HB       THR   4  -2.992   2.573  -7.173
   91    HG1  THR   4           HG1      THR   4  -1.770   1.416  -9.377
   92   1HG2  THR   4          1HG2      THR   4  -2.276   4.540  -9.215
   93   2HG2  THR   4          2HG2      THR   4  -3.661   3.552  -9.680
   94   3HG2  THR   4          3HG2      THR   4  -3.699   4.470  -8.174
   95    H    LYS   5           H        LYS   5  -1.504   1.822  -5.607
   96    HA   LYS   5           HA       LYS   5   0.906   0.211  -5.401
   97   1HB   LYS   5          1HB       LYS   5  -1.764   0.240  -3.959
   98   2HB   LYS   5          2HB       LYS   5  -0.383  -0.728  -3.443
   99   1HG   LYS   5          1HG       LYS   5   0.973   1.304  -3.192
  100   2HG   LYS   5          2HG       LYS   5  -0.374   2.289  -3.763
  101   1HD   LYS   5          1HD       LYS   5  -1.737   1.529  -1.845
  102   2HD   LYS   5          2HD       LYS   5  -0.383   0.555  -1.273
  103   1HE   LYS   5          1HE       LYS   5   0.772   2.391  -0.495
  104   2HE   LYS   5          2HE       LYS   5   0.182   3.438  -1.800
  105   1HZ   LYS   5          1HZ       LYS   5  -1.727   2.330   0.149
  106   2HZ   LYS   5          2HZ       LYS   5  -0.791   3.675   0.597
  107   3HZ   LYS   5          3HZ       LYS   5  -1.822   3.772  -0.746

  No H/Q in entry =         107
  Start of MODEL   14
    1    H1   SER   6           H1       SER   6  -4.489  -1.942 -11.182
    2    H2   SER   6           H2       SER   6  -6.087  -1.496 -10.814
    3    H3   SER   6           H3       SER   6  -4.884  -0.307 -10.939
    4    HA   SER   6           HA       SER   6  -3.961  -0.799  -8.904
    5   1HB   SER   6          1HB       SER   6  -5.797  -0.422  -7.580
    6   2HB   SER   6          2HB       SER   6  -6.628  -0.322  -9.133
    7    HG   SER   6           HG       SER   6  -6.520  -2.439  -7.292
    8    H    ILE   7           H        ILE   7  -5.396  -3.532 -10.498
    9    HA   ILE   7           HA       ILE   7  -3.612  -5.400  -9.176
   10    HB   ILE   7           HB       ILE   7  -5.222  -4.996  -7.368
   11   1HG1  ILE   7          1HG1      ILE   7  -6.308  -7.584  -8.105
   12   2HG1  ILE   7          2HG1      ILE   7  -4.588  -7.497  -8.482
   13   1HG2  ILE   7          1HG2      ILE   7  -7.038  -4.693  -9.457
   14   2HG2  ILE   7          2HG2      ILE   7  -7.529  -6.205  -8.693
   15   3HG2  ILE   7          3HG2      ILE   7  -7.436  -4.725  -7.739
   16   1HD1  ILE   7          1HD1      ILE   7  -5.643  -6.543  -5.823
   17   2HD1  ILE   7          2HD1      ILE   7  -5.265  -8.244  -6.092
   18   3HD1  ILE   7          3HD1      ILE   7  -3.999  -7.025  -6.245
   19    HA   PRO   8           HA       PRO   8  -2.266  -6.257 -10.414
   20   1HB   PRO   8          1HB       PRO   8  -1.593  -5.500 -13.107
   21   2HB   PRO   8          2HB       PRO   8  -1.169  -6.987 -12.256
   22   1HG   PRO   8          1HG       PRO   8  -3.077  -6.642 -14.383
   23   2HG   PRO   8          2HG       PRO   8  -2.633  -8.135 -13.552
   24   1HD   PRO   8          1HD       PRO   8  -5.100  -6.667 -13.331
   25   2HD   PRO   8          2HD       PRO   8  -4.634  -8.145 -12.458
   26    HA   PRO   9           HA       PRO   9  -2.365  -1.882  -9.913
   27   1HB   PRO   9          1HB       PRO   9   0.465  -1.559 -10.311
   28   2HB   PRO   9          2HB       PRO   9  -0.418  -1.620  -8.785
   29   1HG   PRO   9          1HG       PRO   9   1.321  -3.616  -9.898
   30   2HG   PRO   9          2HG       PRO   9   0.440  -3.675  -8.370
   31   1HD   PRO   9          1HD       PRO   9  -0.097  -5.168 -10.782
   32   2HD   PRO   9          2HD       PRO   9  -0.989  -5.223  -9.243
   33    H    ILE  10           H        ILE  10  -2.295   0.046 -11.197
   34    HA   ILE  10           HA       ILE  10  -1.363  -0.324 -14.027
   35    HB   ILE  10           HB       ILE  10  -3.843  -0.452 -13.660
   36   1HG1  ILE  10          1HG1      ILE  10  -3.635   2.113 -15.072
   37   2HG1  ILE  10          2HG1      ILE  10  -2.433   0.933 -15.598
   38   1HG2  ILE  10          1HG2      ILE  10  -3.763   1.179 -11.708
   39   2HG2  ILE  10          2HG2      ILE  10  -3.607   2.469 -12.901
   40   3HG2  ILE  10          3HG2      ILE  10  -5.056   1.464 -12.874
   41   1HD1  ILE  10          1HD1      ILE  10  -4.543  -0.696 -15.553
   42   2HD1  ILE  10          2HD1      ILE  10  -5.417   0.818 -15.780
   43   3HD1  ILE  10          3HD1      ILE  10  -4.203   0.316 -16.957
   44    H    CYS  11           H        CYS  11  -0.749   1.725 -15.089
   45    HA   CYS  11           HA       CYS  11   0.052   3.855 -13.129
   46   1HB   CYS  11          1HB       CYS  11   1.452   2.581 -15.486
   47   2HB   CYS  11          2HB       CYS  11   1.973   4.135 -14.836
   48    H    PHE  12           H        PHE  12  -0.455   5.962 -13.729
   49    HA   PHE  12           HA       PHE  12  -2.103   6.304 -16.176
   50   1HB   PHE  12          1HB       PHE  12  -1.554   7.875 -13.654
   51   2HB   PHE  12          2HB       PHE  12  -2.437   8.588 -15.004
   52    HD1  PHE  12           HD1      PHE  12  -2.403   5.629 -12.719
   53    HD2  PHE  12           HD2      PHE  12  -4.735   8.149 -15.299
   54    HE1  PHE  12           HE1      PHE  12  -4.470   4.478 -11.974
   55    HE2  PHE  12           HE2      PHE  12  -6.802   7.000 -14.554
   56    HZ   PHE  12           HZ       PHE  12  -6.670   5.164 -12.892
   57    HA   PRO  13           HA       PRO  13   0.889   8.471 -18.550
   58   1HB   PRO  13          1HB       PRO  13  -0.745  10.788 -19.041
   59   2HB   PRO  13          2HB       PRO  13  -0.462   9.410 -20.108
   60   1HG   PRO  13          1HG       PRO  13  -2.860  10.066 -18.669
   61   2HG   PRO  13          2HG       PRO  13  -2.576   8.686 -19.732
   62   1HD   PRO  13          1HD       PRO  13  -2.823   8.687 -16.854
   63   2HD   PRO  13          2HD       PRO  13  -2.544   7.295 -17.926
   64    H    ASP  14           H        ASP  14  -0.541   9.949 -15.767
   65    HA   ASP  14           HA       ASP  14   1.113  12.354 -15.737
   66   1HB   ASP  14          1HB       ASP  14   0.113  12.575 -13.481
   67   2HB   ASP  14          2HB       ASP  14  -1.115  12.171 -14.680
   68    H    GLY   1           H        GLY   1   1.968   9.192 -15.423
   69   1HA   GLY   1          1HA       GLY   1   4.437   9.862 -14.008
   70   2HA   GLY   1          2HA       GLY   1   4.029   8.287 -14.690
   71    H    ARG   2           H        ARG   2   1.367   8.436 -13.214
   72    HA   ARG   2           HA       ARG   2   2.397   7.880 -10.452
   73   1HB   ARG   2          1HB       ARG   2  -0.277   8.837 -11.518
   74   2HB   ARG   2          2HB       ARG   2  -0.001   8.404  -9.830
   75   1HG   ARG   2          1HG       ARG   2   1.848  10.094  -9.756
   76   2HG   ARG   2          2HG       ARG   2   1.415  10.583 -11.394
   77   1HD   ARG   2          1HD       ARG   2  -0.903  11.099 -10.575
   78   2HD   ARG   2          2HD       ARG   2  -0.352  10.747  -8.926
   79    HE   ARG   2           HE       ARG   2   1.184  12.643  -9.094
   80   1HH1  ARG   2          1HH1      ARG   2  -1.587  13.577 -10.170
   81   2HH1  ARG   2          2HH1      ARG   2  -1.074  14.542 -11.514
   82   1HH2  ARG   2          1HH2      ARG   2   2.155  13.279 -11.531
   83   2HH2  ARG   2          2HH2      ARG   2   1.044  14.373 -12.285
   84    H    CYS   3           H        CYS   3   1.675   5.945  -9.437
   85    HA   CYS   3           HA       CYS   3   0.088   4.058 -11.139
   86   1HB   CYS   3          1HB       CYS   3   2.657   3.516  -9.613
   87   2HB   CYS   3          2HB       CYS   3   1.728   2.308 -10.499
   88    H    THR   4           H        THR   4  -1.013   2.394  -9.872
   89    HA   THR   4           HA       THR   4  -2.077   3.333  -7.363
   90    HB   THR   4           HB       THR   4  -2.928   0.843  -7.430
   91    HG1  THR   4           HG1      THR   4  -1.930  -0.237  -8.912
   92   1HG2  THR   4          1HG2      THR   4  -3.550   2.819  -9.642
   93   2HG2  THR   4          2HG2      THR   4  -4.578   1.470  -9.158
   94   3HG2  THR   4          3HG2      THR   4  -4.285   2.802  -8.039
   95    H    LYS   5           H        LYS   5   0.479   1.055  -8.229
   96    HA   LYS   5           HA       LYS   5   1.464   1.103  -5.441
   97   1HB   LYS   5          1HB       LYS   5  -0.324  -0.695  -5.705
   98   2HB   LYS   5          2HB       LYS   5   0.773  -1.504  -6.823
   99   1HG   LYS   5          1HG       LYS   5   2.511  -1.545  -5.036
  100   2HG   LYS   5          2HG       LYS   5   1.348  -0.824  -3.923
  101   1HD   LYS   5          1HD       LYS   5  -0.182  -2.778  -4.396
  102   2HD   LYS   5          2HD       LYS   5   1.141  -3.518  -5.296
  103   1HE   LYS   5          1HE       LYS   5   1.726  -4.417  -3.272
  104   2HE   LYS   5          2HE       LYS   5   2.368  -2.802  -2.916
  105   1HZ   LYS   5          1HZ       LYS   5  -0.439  -3.682  -2.457
  106   2HZ   LYS   5          2HZ       LYS   5   0.740  -3.522  -1.244
  107   3HZ   LYS   5          3HZ       LYS   5   0.196  -2.153  -2.091

  No H/Q in entry =         107
  Start of MODEL   15
    1    H1   SER   6           H1       SER   6  -2.630  -1.512  -8.276
    2    H2   SER   6           H2       SER   6  -3.544  -0.784  -9.505
    3    H3   SER   6           H3       SER   6  -3.863  -0.413  -7.878
    4    HA   SER   6           HA       SER   6  -5.071  -2.283  -7.528
    5   1HB   SER   6          1HB       SER   6  -5.485  -0.977  -9.896
    6   2HB   SER   6          2HB       SER   6  -5.291  -2.637 -10.459
    7    HG   SER   6           HG       SER   6  -6.797  -2.982  -8.484
    8    H    ILE   7           H        ILE   7  -5.374  -4.364  -9.711
    9    HA   ILE   7           HA       ILE   7  -2.772  -5.755  -9.744
   10    HB   ILE   7           HB       ILE   7  -3.714  -6.154  -7.482
   11   1HG1  ILE   7          1HG1      ILE   7  -3.797  -8.690  -7.657
   12   2HG1  ILE   7          2HG1      ILE   7  -3.689  -8.492  -9.407
   13   1HG2  ILE   7          1HG2      ILE   7  -6.138  -6.032  -8.631
   14   2HG2  ILE   7          2HG2      ILE   7  -5.929  -7.783  -8.638
   15   3HG2  ILE   7          3HG2      ILE   7  -5.864  -6.894  -7.116
   16   1HD1  ILE   7          1HD1      ILE   7  -1.614  -7.024  -8.908
   17   2HD1  ILE   7          2HD1      ILE   7  -1.653  -7.757  -7.305
   18   3HD1  ILE   7          3HD1      ILE   7  -1.441  -8.770  -8.733
   19    HA   PRO   8           HA       PRO   8  -1.761  -6.224 -11.401
   20   1HB   PRO   8          1HB       PRO   8  -2.012  -4.978 -13.981
   21   2HB   PRO   8          2HB       PRO   8  -1.173  -6.477 -13.574
   22   1HG   PRO   8          1HG       PRO   8  -3.634  -6.172 -15.020
   23   2HG   PRO   8          2HG       PRO   8  -2.800  -7.671 -14.604
   24   1HD   PRO   8          1HD       PRO   8  -5.253  -6.632 -13.483
   25   2HD   PRO   8          2HD       PRO   8  -4.422  -8.151 -13.075
   26    HA   PRO   9           HA       PRO   9  -2.286  -2.049 -10.085
   27   1HB   PRO   9          1HB       PRO   9   0.275  -1.206 -11.088
   28   2HB   PRO   9          2HB       PRO   9  -0.157  -1.634  -9.431
   29   1HG   PRO   9          1HG       PRO   9   1.459  -3.129 -11.276
   30   2HG   PRO   9          2HG       PRO   9   1.026  -3.559  -9.621
   31   1HD   PRO   9          1HD       PRO   9   0.059  -4.742 -12.072
   32   2HD   PRO   9          2HD       PRO   9  -0.373  -5.181 -10.402
   33    H    ILE  10           H        ILE  10  -2.371   0.207 -10.986
   34    HA   ILE  10           HA       ILE  10  -2.603   0.211 -13.980
   35    HB   ILE  10           HB       ILE  10  -4.268   1.588 -11.847
   36   1HG1  ILE  10          1HG1      ILE  10  -5.006  -0.575 -13.842
   37   2HG1  ILE  10          2HG1      ILE  10  -4.633  -0.874 -12.144
   38   1HG2  ILE  10          1HG2      ILE  10  -4.319   1.702 -14.870
   39   2HG2  ILE  10          2HG2      ILE  10  -5.711   2.150 -13.884
   40   3HG2  ILE  10          3HG2      ILE  10  -4.200   3.048 -13.738
   41   1HD1  ILE  10          1HD1      ILE  10  -6.467   1.048 -11.807
   42   2HD1  ILE  10          2HD1      ILE  10  -7.026   0.429 -13.362
   43   3HD1  ILE  10          3HD1      ILE  10  -6.921  -0.649 -11.969
   44    H    CYS  11           H        CYS  11  -1.577   1.915 -15.016
   45    HA   CYS  11           HA       CYS  11  -0.260   3.968 -13.266
   46   1HB   CYS  11          1HB       CYS  11   0.510   2.610 -15.861
   47   2HB   CYS  11          2HB       CYS  11   1.358   4.032 -15.254
   48    H    PHE  12           H        PHE  12  -0.174   6.150 -14.128
   49    HA   PHE  12           HA       PHE  12  -2.268   6.705 -16.206
   50   1HB   PHE  12          1HB       PHE  12  -1.440   8.048 -13.635
   51   2HB   PHE  12          2HB       PHE  12  -2.309   8.949 -14.876
   52    HD1  PHE  12           HD1      PHE  12  -2.469   5.971 -12.655
   53    HD2  PHE  12           HD2      PHE  12  -4.645   8.611 -15.252
   54    HE1  PHE  12           HE1      PHE  12  -4.603   4.966 -11.888
   55    HE2  PHE  12           HE2      PHE  12  -6.778   7.606 -14.486
   56    HZ   PHE  12           HZ       PHE  12  -6.757   5.783 -12.804
   57    HA   PRO  13           HA       PRO  13   0.662   8.831 -18.695
   58   1HB   PRO  13          1HB       PRO  13  -0.836  11.279 -18.902
   59   2HB   PRO  13          2HB       PRO  13  -0.742   9.960 -20.070
   60   1HG   PRO  13          1HG       PRO  13  -2.961  10.675 -18.393
   61   2HG   PRO  13          2HG       PRO  13  -2.865   9.354 -19.560
   62   1HD   PRO  13          1HD       PRO  13  -2.876   9.177 -16.677
   63   2HD   PRO  13          2HD       PRO  13  -2.784   7.845 -17.853
   64    H    ASP  14           H        ASP  14  -0.354  10.111 -15.674
   65    HA   ASP  14           HA       ASP  14   1.399  12.451 -15.639
   66   1HB   ASP  14          1HB       ASP  14   0.671  12.504 -13.268
   67   2HB   ASP  14          2HB       ASP  14  -0.701  12.269 -14.350
   68    H    GLY   1           H        GLY   1   2.150   9.261 -15.725
   69   1HA   GLY   1          1HA       GLY   1   4.794   9.686 -14.589
   70   2HA   GLY   1          2HA       GLY   1   4.197   8.177 -15.278
   71    H    ARG   2           H        ARG   2   1.768   8.476 -13.416
   72    HA   ARG   2           HA       ARG   2   3.137   7.602 -10.890
   73   1HB   ARG   2          1HB       ARG   2   0.510   9.015 -11.433
   74   2HB   ARG   2          2HB       ARG   2   0.964   8.394  -9.846
   75   1HG   ARG   2          1HG       ARG   2   2.982   9.807  -9.862
   76   2HG   ARG   2          2HG       ARG   2   2.551  10.414 -11.461
   77   1HD   ARG   2          1HD       ARG   2   1.791  12.054  -9.840
   78   2HD   ARG   2          2HD       ARG   2   0.348  11.205 -10.429
   79    HE   ARG   2           HE       ARG   2   1.684  10.059  -8.043
   80   1HH1  ARG   2          1HH1      ARG   2   0.192  12.855  -7.909
   81   2HH1  ARG   2          2HH1      ARG   2  -1.300  12.331  -7.201
   82   1HH2  ARG   2          1HH2      ARG   2  -0.697   8.965  -7.779
   83   2HH2  ARG   2          2HH2      ARG   2  -1.802  10.128  -7.128
   84    H    CYS   3           H        CYS   3   2.454   5.638  -9.991
   85    HA   CYS   3           HA       CYS   3   0.339   4.136 -11.501
   86   1HB   CYS   3          1HB       CYS   3   3.003   3.249 -10.353
   87   2HB   CYS   3          2HB       CYS   3   1.791   2.131 -10.979
   88    H    THR   4           H        THR   4  -0.937   2.680 -10.197
   89    HA   THR   4           HA       THR   4  -1.461   3.592  -7.499
   90    HB   THR   4           HB       THR   4  -3.128   1.781  -7.576
   91    HG1  THR   4           HG1      THR   4  -1.391   0.898  -9.550
   92   1HG2  THR   4          1HG2      THR   4  -2.707   3.531  -9.970
   93   2HG2  THR   4          2HG2      THR   4  -4.023   2.358  -9.993
   94   3HG2  THR   4          3HG2      THR   4  -3.972   3.602  -8.743
   95    H    LYS   5           H        LYS   5  -1.448   2.020  -5.611
   96    HA   LYS   5           HA       LYS   5   1.037   0.343  -5.686
   97   1HB   LYS   5          1HB       LYS   5   0.971   2.393  -4.236
   98   2HB   LYS   5          2HB       LYS   5  -0.372   1.672  -3.349
   99   1HG   LYS   5          1HG       LYS   5   1.078  -0.280  -2.804
  100   2HG   LYS   5          2HG       LYS   5   2.422   0.518  -3.622
  101   1HD   LYS   5          1HD       LYS   5   2.114   2.468  -2.053
  102   2HD   LYS   5          2HD       LYS   5   0.937   1.497  -1.168
  103   1HE   LYS   5          1HE       LYS   5   2.688  -0.243  -0.795
  104   2HE   LYS   5          2HE       LYS   5   3.865   0.803  -1.612
  105   1HZ   LYS   5          1HZ       LYS   5   2.209   2.032   0.453
  106   2HZ   LYS   5          2HZ       LYS   5   3.396   0.945   0.996
  107   3HZ   LYS   5          3HZ       LYS   5   3.844   2.298   0.076

  No H/Q in entry =         107
  Start of MODEL   16
    1    H1   SER   6           H1       SER   6  -5.233  -1.984 -10.572
    2    H2   SER   6           H2       SER   6  -6.253  -2.019  -9.214
    3    H3   SER   6           H3       SER   6  -5.603  -0.545  -9.754
    4    HA   SER   6           HA       SER   6  -3.417  -1.138  -9.078
    5   1HB   SER   6          1HB       SER   6  -5.639  -0.790  -7.451
    6   2HB   SER   6          2HB       SER   6  -4.847  -2.199  -6.746
    7    HG   SER   6           HG       SER   6  -2.861  -0.845  -6.982
    8    H    ILE   7           H        ILE   7  -5.482  -3.782  -9.692
    9    HA   ILE   7           HA       ILE   7  -3.224  -5.675  -9.297
   10    HB   ILE   7           HB       ILE   7  -4.424  -5.699  -7.183
   11   1HG1  ILE   7          1HG1      ILE   7  -5.539  -8.084  -7.451
   12   2HG1  ILE   7          2HG1      ILE   7  -4.807  -8.011  -9.054
   13   1HG2  ILE   7          1HG2      ILE   7  -6.699  -5.328  -8.947
   14   2HG2  ILE   7          2HG2      ILE   7  -6.982  -6.662  -7.830
   15   3HG2  ILE   7          3HG2      ILE   7  -6.586  -5.061  -7.208
   16   1HD1  ILE   7          1HD1      ILE   7  -2.665  -7.253  -7.715
   17   2HD1  ILE   7          2HD1      ILE   7  -3.477  -8.043  -6.363
   18   3HD1  ILE   7          3HD1      ILE   7  -3.080  -8.965  -7.813
   19    HA   PRO   8           HA       PRO   8  -2.120  -6.338 -10.819
   20   1HB   PRO   8          1HB       PRO   8  -1.887  -5.263 -13.477
   21   2HB   PRO   8          2HB       PRO   8  -1.342  -6.834 -12.888
   22   1HG   PRO   8          1HG       PRO   8  -3.551  -6.277 -14.634
   23   2HG   PRO   8          2HG       PRO   8  -3.009  -7.847 -14.041
   24   1HD   PRO   8          1HD       PRO   8  -5.382  -6.387 -13.281
   25   2HD   PRO   8          2HD       PRO   8  -4.840  -7.974 -12.690
   26    HA   PRO   9           HA       PRO   9  -1.984  -2.039  -9.881
   27   1HB   PRO   9          1HB       PRO   9   0.626  -1.584 -11.003
   28   2HB   PRO   9          2HB       PRO   9   0.200  -1.842  -9.309
   29   1HG   PRO   9          1HG       PRO   9   1.562  -3.647 -11.081
   30   2HG   PRO   9          2HG       PRO   9   1.138  -3.904  -9.387
   31   1HD   PRO   9          1HD       PRO   9  -0.044  -5.135 -11.715
   32   2HD   PRO   9          2HD       PRO   9  -0.474  -5.390 -10.007
   33    H    ILE  10           H        ILE  10  -2.321   0.002 -10.913
   34    HA   ILE  10           HA       ILE  10  -2.300  -0.072 -13.913
   35    HB   ILE  10           HB       ILE  10  -4.118   1.357 -11.946
   36   1HG1  ILE  10          1HG1      ILE  10  -4.640  -0.974 -13.818
   37   2HG1  ILE  10          2HG1      ILE  10  -4.446  -1.102 -12.070
   38   1HG2  ILE  10          1HG2      ILE  10  -3.708   2.549 -14.133
   39   2HG2  ILE  10          2HG2      ILE  10  -4.354   1.131 -14.961
   40   3HG2  ILE  10          3HG2      ILE  10  -5.387   2.069 -13.880
   41   1HD1  ILE  10          1HD1      ILE  10  -6.359   0.608 -11.900
   42   2HD1  ILE  10          2HD1      ILE  10  -6.653   0.277 -13.607
   43   3HD1  ILE  10          3HD1      ILE  10  -6.798  -1.020 -12.420
   44    H    CYS  11           H        CYS  11  -1.208   1.592 -14.934
   45    HA   CYS  11           HA       CYS  11  -0.021   3.717 -13.186
   46   1HB   CYS  11          1HB       CYS  11   0.833   2.199 -15.634
   47   2HB   CYS  11          2HB       CYS  11   1.524   3.792 -15.329
   48    H    PHE  12           H        PHE  12   0.126   5.890 -14.158
   49    HA   PHE  12           HA       PHE  12  -1.952   6.379 -16.270
   50   1HB   PHE  12          1HB       PHE  12  -1.234   8.071 -13.853
   51   2HB   PHE  12          2HB       PHE  12  -2.533   8.396 -15.001
   52    HD1  PHE  12           HD1      PHE  12  -4.042   6.127 -15.429
   53    HD2  PHE  12           HD2      PHE  12  -1.929   7.157 -11.833
   54    HE1  PHE  12           HE1      PHE  12  -5.565   4.674 -14.118
   55    HE2  PHE  12           HE2      PHE  12  -3.452   5.704 -10.522
   56    HZ   PHE  12           HZ       PHE  12  -5.270   4.463 -11.664
   57    HA   PRO  13           HA       PRO  13   1.052   8.607 -18.577
   58   1HB   PRO  13          1HB       PRO  13  -0.622  10.904 -19.022
   59   2HB   PRO  13          2HB       PRO  13  -0.307   9.558 -20.121
   60   1HG   PRO  13          1HG       PRO  13  -2.726  10.131 -18.683
   61   2HG   PRO  13          2HG       PRO  13  -2.410   8.785 -19.779
   62   1HD   PRO  13          1HD       PRO  13  -2.676   8.704 -16.905
   63   2HD   PRO  13          2HD       PRO  13  -2.359   7.347 -18.012
   64    H    ASP  14           H        ASP  14  -0.362   9.914 -15.728
   65    HA   ASP  14           HA       ASP  14   1.201  12.387 -15.637
   66   1HB   ASP  14          1HB       ASP  14   0.220  12.490 -13.361
   67   2HB   ASP  14          2HB       ASP  14  -1.007  12.102 -14.567
   68    H    GLY   1           H        GLY   1   2.104   9.205 -15.372
   69   1HA   GLY   1          1HA       GLY   1   4.602   9.906 -14.022
   70   2HA   GLY   1          2HA       GLY   1   4.196   8.328 -14.696
   71    H    ARG   2           H        ARG   2   1.570   8.442 -13.156
   72    HA   ARG   2           HA       ARG   2   2.714   7.695 -10.483
   73   1HB   ARG   2          1HB       ARG   2   1.488   9.873 -10.533
   74   2HB   ARG   2          2HB       ARG   2   0.057   9.023 -11.114
   75   1HG   ARG   2          1HG       ARG   2   0.062   7.630  -9.068
   76   2HG   ARG   2          2HG       ARG   2   1.481   8.501  -8.485
   77   1HD   ARG   2          1HD       ARG   2   0.162  10.629  -8.563
   78   2HD   ARG   2          2HD       ARG   2  -1.266   9.687  -9.027
   79    HE   ARG   2           HE       ARG   2   0.161   8.764  -6.608
   80   1HH1  ARG   2          1HH1      ARG   2  -1.804  11.366  -7.422
   81   2HH1  ARG   2          2HH1      ARG   2  -3.044  11.017  -6.265
   82   1HH2  ARG   2          1HH2      ARG   2  -1.706   7.950  -5.358
   83   2HH2  ARG   2          2HH2      ARG   2  -2.989   9.083  -5.097
   84    H    CYS   3           H        CYS   3   2.062   5.687  -9.743
   85    HA   CYS   3           HA       CYS   3  -0.110   4.292 -11.276
   86   1HB   CYS   3          1HB       CYS   3   2.423   3.167 -10.037
   87   2HB   CYS   3          2HB       CYS   3   1.245   2.262 -10.986
   88    H    THR   4           H        THR   4  -1.466   2.891 -10.015
   89    HA   THR   4           HA       THR   4  -2.192   3.727  -7.423
   90    HB   THR   4           HB       THR   4  -3.402   1.539  -7.392
   91    HG1  THR   4           HG1      THR   4  -1.612   1.091  -9.512
   92   1HG2  THR   4          1HG2      THR   4  -3.678   3.658  -9.192
   93   2HG2  THR   4          2HG2      THR   4  -3.803   2.212 -10.193
   94   3HG2  THR   4          3HG2      THR   4  -4.892   2.432  -8.825
   95    H    LYS   5           H        LYS   5  -0.079   1.027  -8.387
   96    HA   LYS   5           HA       LYS   5   1.353   1.212  -5.810
   97   1HB   LYS   5          1HB       LYS   5  -0.631  -0.180  -5.343
   98   2HB   LYS   5          2HB       LYS   5  -0.207  -1.243  -6.685
   99   1HG   LYS   5          1HG       LYS   5   1.941  -1.775  -5.564
  100   2HG   LYS   5          2HG       LYS   5   1.475  -0.747  -4.209
  101   1HD   LYS   5          1HD       LYS   5  -0.502  -2.169  -3.808
  102   2HD   LYS   5          2HD       LYS   5  -0.039  -3.197  -5.164
  103   1HE   LYS   5          1HE       LYS   5   1.941  -3.950  -4.039
  104   2HE   LYS   5          2HE       LYS   5   1.794  -2.691  -2.799
  105   1HZ   LYS   5          1HZ       LYS   5  -0.463  -4.517  -3.269
  106   2HZ   LYS   5          2HZ       LYS   5   0.857  -5.079  -2.360
  107   3HZ   LYS   5          3HZ       LYS   5  -0.009  -3.717  -1.841

  No H/Q in entry =         107
  Start of MODEL   17
    1    H1   SER   6           H1       SER   6  -4.104  -1.872 -11.462
    2    H2   SER   6           H2       SER   6  -5.770  -2.021 -11.761
    3    H3   SER   6           H3       SER   6  -5.103  -0.498 -11.421
    4    HA   SER   6           HA       SER   6  -4.766  -0.996  -9.171
    5   1HB   SER   6          1HB       SER   6  -7.313  -2.373 -10.080
    6   2HB   SER   6          2HB       SER   6  -7.041  -1.592  -8.522
    7    HG   SER   6           HG       SER   6  -6.474   0.289 -10.049
    8    H    ILE   7           H        ILE   7  -5.498  -3.903 -11.065
    9    HA   ILE   7           HA       ILE   7  -3.710  -5.510  -9.383
   10    HB   ILE   7           HB       ILE   7  -5.724  -5.459  -8.015
   11   1HG1  ILE   7          1HG1      ILE   7  -6.466  -8.001  -8.538
   12   2HG1  ILE   7          2HG1      ILE   7  -4.968  -7.943  -9.466
   13   1HG2  ILE   7          1HG2      ILE   7  -7.000  -5.378 -10.567
   14   2HG2  ILE   7          2HG2      ILE   7  -7.595  -6.804  -9.716
   15   3HG2  ILE   7          3HG2      ILE   7  -7.743  -5.210  -8.976
   16   1HD1  ILE   7          1HD1      ILE   7  -4.612  -6.677  -6.883
   17   2HD1  ILE   7          2HD1      ILE   7  -5.219  -8.321  -6.688
   18   3HD1  ILE   7          3HD1      ILE   7  -3.729  -8.032  -7.585
   19    HA   PRO   8           HA       PRO   8  -2.003  -6.106 -10.218
   20   1HB   PRO   8          1HB       PRO   8  -0.742  -5.245 -12.657
   21   2HB   PRO   8          2HB       PRO   8  -0.366  -6.668 -11.682
   22   1HG   PRO   8          1HG       PRO   8  -1.643  -6.581 -14.251
   23   2HG   PRO   8          2HG       PRO   8  -1.280  -8.001 -13.269
   24   1HD   PRO   8          1HD       PRO   8  -3.864  -6.812 -13.786
   25   2HD   PRO   8          2HD       PRO   8  -3.498  -8.257 -12.814
   26    HA   PRO   9           HA       PRO   9  -2.685  -1.771  -9.887
   27   1HB   PRO   9          1HB       PRO   9   0.101  -1.053  -9.865
   28   2HB   PRO   9          2HB       PRO   9  -0.991  -1.221  -8.488
   29   1HG   PRO   9          1HG       PRO   9   1.155  -2.970  -9.277
   30   2HG   PRO   9          2HG       PRO   9   0.084  -3.122  -7.882
   31   1HD   PRO   9          1HD       PRO   9   0.105  -4.735 -10.266
   32   2HD   PRO   9          2HD       PRO   9  -1.008  -4.856  -8.882
   33    H    ILE  10           H        ILE  10  -2.675   0.144 -11.201
   34    HA   ILE  10           HA       ILE  10  -1.411  -0.201 -13.903
   35    HB   ILE  10           HB       ILE  10  -3.931  -0.342 -13.677
   36   1HG1  ILE  10          1HG1      ILE  10  -4.349   1.369 -15.507
   37   2HG1  ILE  10          2HG1      ILE  10  -2.680   1.895 -15.291
   38   1HG2  ILE  10          1HG2      ILE  10  -3.985   1.420 -11.845
   39   2HG2  ILE  10          2HG2      ILE  10  -3.715   2.624 -13.105
   40   3HG2  ILE  10          3HG2      ILE  10  -5.176   1.639 -13.127
   41   1HD1  ILE  10          1HD1      ILE  10  -2.857  -1.002 -15.512
   42   2HD1  ILE  10          2HD1      ILE  10  -3.560  -0.206 -16.919
   43   3HD1  ILE  10          3HD1      ILE  10  -1.892   0.132 -16.459
   44    H    CYS  11           H        CYS  11  -0.833   1.890 -14.964
   45    HA   CYS  11           HA       CYS  11  -0.035   3.964 -12.946
   46   1HB   CYS  11          1HB       CYS  11   1.473   2.387 -14.686
   47   2HB   CYS  11          2HB       CYS  11   1.380   3.945 -15.505
   48    H    PHE  12           H        PHE  12  -0.673   6.075 -13.364
   49    HA   PHE  12           HA       PHE  12  -2.588   6.534 -15.547
   50   1HB   PHE  12          1HB       PHE  12  -1.424   8.407 -13.462
   51   2HB   PHE  12          2HB       PHE  12  -2.906   8.656 -14.384
   52    HD1  PHE  12           HD1      PHE  12  -4.251   6.103 -14.339
   53    HD2  PHE  12           HD2      PHE  12  -1.994   8.019 -11.226
   54    HE1  PHE  12           HE1      PHE  12  -5.526   4.834 -12.634
   55    HE2  PHE  12           HE2      PHE  12  -3.270   6.748  -9.520
   56    HZ   PHE  12           HZ       PHE  12  -5.035   5.156 -10.224
   57    HA   PRO  13           HA       PRO  13   0.058   8.430 -18.496
   58   1HB   PRO  13          1HB       PRO  13  -1.518  10.820 -18.787
   59   2HB   PRO  13          2HB       PRO  13  -1.495   9.397 -19.832
   60   1HG   PRO  13          1HG       PRO  13  -3.565  10.228 -18.017
   61   2HG   PRO  13          2HG       PRO  13  -3.550   8.813 -19.074
   62   1HD   PRO  13          1HD       PRO  13  -3.297   8.875 -16.203
   63   2HD   PRO  13          2HD       PRO  13  -3.257   7.451 -17.269
   64    H    ASP  14           H        ASP  14  -0.710   9.974 -15.525
   65    HA   ASP  14           HA       ASP  14   0.927  12.360 -15.852
   66   1HB   ASP  14          1HB       ASP  14   0.534  12.503 -13.390
   67   2HB   ASP  14          2HB       ASP  14  -0.956  12.205 -14.286
   68    H    GLY   1           H        GLY   1   1.687   9.082 -15.469
   69   1HA   GLY   1          1HA       GLY   1   4.488   9.768 -14.843
   70   2HA   GLY   1          2HA       GLY   1   3.908   8.194 -15.386
   71    H    ARG   2           H        ARG   2   1.771   8.015 -13.425
   72    HA   ARG   2           HA       ARG   2   3.434   7.507 -10.983
   73   1HB   ARG   2          1HB       ARG   2   0.675   8.746 -11.221
   74   2HB   ARG   2          2HB       ARG   2   1.422   8.283  -9.692
   75   1HG   ARG   2          1HG       ARG   2   3.336   9.797 -10.209
   76   2HG   ARG   2          2HG       ARG   2   2.503  10.307 -11.677
   77   1HD   ARG   2          1HD       ARG   2   0.599  11.124 -10.308
   78   2HD   ARG   2          2HD       ARG   2   1.461  10.634  -8.837
   79    HE   ARG   2           HE       ARG   2   3.352  12.174  -9.836
   80   1HH1  ARG   2          1HH1      ARG   2   0.196  12.879  -8.959
   81   2HH1  ARG   2          2HH1      ARG   2   0.174  14.474  -9.634
   82   1HH2  ARG   2          1HH2      ARG   2   3.232  14.127 -11.232
   83   2HH2  ARG   2          2HH2      ARG   2   1.894  15.180 -10.921
   84    H    CYS   3           H        CYS   3   3.119   5.469 -10.137
   85    HA   CYS   3           HA       CYS   3   1.009   3.767 -11.393
   86   1HB   CYS   3          1HB       CYS   3   3.727   3.397 -10.209
   87   2HB   CYS   3          2HB       CYS   3   2.600   2.047 -10.084
   88    H    THR   4           H        THR   4  -0.421   2.560 -10.047
   89    HA   THR   4           HA       THR   4  -0.953   3.740  -7.408
   90    HB   THR   4           HB       THR   4  -2.881   2.100  -7.549
   91    HG1  THR   4           HG1      THR   4  -1.954   0.519  -8.801
   92   1HG2  THR   4          1HG2      THR   4  -2.451   4.477  -8.899
   93   2HG2  THR   4          2HG2      THR   4  -3.006   3.391 -10.173
   94   3HG2  THR   4          3HG2      THR   4  -4.003   3.656  -8.743
   95    H    LYS   5           H        LYS   5  -1.383   2.167  -5.538
   96    HA   LYS   5           HA       LYS   5  -0.350   0.707  -3.973
   97   1HB   LYS   5          1HB       LYS   5  -0.505  -0.911  -6.538
   98   2HB   LYS   5          2HB       LYS   5  -0.276  -1.606  -4.933
   99   1HG   LYS   5          1HG       LYS   5  -2.417  -0.575  -4.205
  100   2HG   LYS   5          2HG       LYS   5  -2.652   0.048  -5.839
  101   1HD   LYS   5          1HD       LYS   5  -2.589  -2.280  -6.709
  102   2HD   LYS   5          2HD       LYS   5  -2.427  -2.875  -5.057
  103   1HE   LYS   5          1HE       LYS   5  -4.603  -1.789  -4.482
  104   2HE   LYS   5          2HE       LYS   5  -4.773  -1.296  -6.177
  105   1HZ   LYS   5          1HZ       LYS   5  -4.092  -4.090  -5.611
  106   2HZ   LYS   5          2HZ       LYS   5  -5.691  -3.607  -5.321
  107   3HZ   LYS   5          3HZ       LYS   5  -5.024  -3.441  -6.875

  No H/Q in entry =         107
  Start of MODEL   18
    1    H1   SER   6           H1       SER   6  -5.281  -2.347 -10.532
    2    H2   SER   6           H2       SER   6  -5.817  -0.890  -9.843
    3    H3   SER   6           H3       SER   6  -4.325  -0.952 -10.653
    4    HA   SER   6           HA       SER   6  -3.497  -1.149  -8.566
    5   1HB   SER   6          1HB       SER   6  -6.264  -2.241  -7.993
    6   2HB   SER   6          2HB       SER   6  -5.014  -2.096  -6.756
    7    HG   SER   6           HG       SER   6  -6.314  -0.253  -6.778
    8    H    ILE   7           H        ILE   7  -5.494  -3.930  -9.564
    9    HA   ILE   7           HA       ILE   7  -3.072  -5.664  -9.325
   10    HB   ILE   7           HB       ILE   7  -4.242  -5.925  -7.240
   11   1HG1  ILE   7          1HG1      ILE   7  -5.515  -8.235  -8.560
   12   2HG1  ILE   7          2HG1      ILE   7  -3.814  -8.016  -8.968
   13   1HG2  ILE   7          1HG2      ILE   7  -6.548  -5.427  -8.934
   14   2HG2  ILE   7          2HG2      ILE   7  -6.810  -6.842  -7.915
   15   3HG2  ILE   7          3HG2      ILE   7  -6.406  -5.289  -7.182
   16   1HD1  ILE   7          1HD1      ILE   7  -3.442  -7.728  -6.425
   17   2HD1  ILE   7          2HD1      ILE   7  -5.052  -8.423  -6.245
   18   3HD1  ILE   7          3HD1      ILE   7  -3.770  -9.357  -7.016
   19    HA   PRO   8           HA       PRO   8  -1.907  -6.179 -10.851
   20   1HB   PRO   8          1HB       PRO   8  -1.700  -4.985 -13.460
   21   2HB   PRO   8          2HB       PRO   8  -1.062  -6.540 -12.923
   22   1HG   PRO   8          1HG       PRO   8  -3.271  -6.058 -14.691
   23   2HG   PRO   8          2HG       PRO   8  -2.641  -7.613 -14.144
   24   1HD   PRO   8          1HD       PRO   8  -5.115  -6.330 -13.379
   25   2HD   PRO   8          2HD       PRO   8  -4.488  -7.907 -12.842
   26    HA   PRO   9           HA       PRO   9  -2.100  -1.922  -9.734
   27   1HB   PRO   9          1HB       PRO   9   0.527  -1.271 -10.709
   28   2HB   PRO   9          2HB       PRO   9   0.039  -1.620  -9.049
   29   1HG   PRO   9          1HG       PRO   9   1.592  -3.270 -10.816
   30   2HG   PRO   9          2HG       PRO   9   1.099  -3.620  -9.157
   31   1HD   PRO   9          1HD       PRO   9   0.109  -4.817 -11.592
   32   2HD   PRO   9          2HD       PRO   9  -0.383  -5.175  -9.920
   33    H    ILE  10           H        ILE  10  -2.470   0.153 -10.699
   34    HA   ILE  10           HA       ILE  10  -2.247   0.230 -13.692
   35    HB   ILE  10           HB       ILE  10  -4.412   1.167 -11.789
   36   1HG1  ILE  10          1HG1      ILE  10  -4.541  -0.702 -14.170
   37   2HG1  ILE  10          2HG1      ILE  10  -4.322  -1.256 -12.510
   38   1HG2  ILE  10          1HG2      ILE  10  -3.981   1.738 -14.730
   39   2HG2  ILE  10          2HG2      ILE  10  -5.562   1.871 -13.959
   40   3HG2  ILE  10          3HG2      ILE  10  -4.232   2.901 -13.429
   41   1HD1  ILE  10          1HD1      ILE  10  -6.478   0.534 -12.391
   42   2HD1  ILE  10          2HD1      ILE  10  -6.755  -0.408 -13.856
   43   3HD1  ILE  10          3HD1      ILE  10  -6.568  -1.226 -12.304
   44    H    CYS  11           H        CYS  11  -1.380   2.124 -14.543
   45    HA   CYS  11           HA       CYS  11  -0.847   4.376 -12.634
   46   1HB   CYS  11          1HB       CYS  11   1.136   2.931 -12.987
   47   2HB   CYS  11          2HB       CYS  11   0.998   3.177 -14.728
   48    H    PHE  12           H        PHE  12  -0.632   6.474 -13.713
   49    HA   PHE  12           HA       PHE  12  -2.156   6.587 -16.282
   50   1HB   PHE  12          1HB       PHE  12  -1.698   8.391 -13.918
   51   2HB   PHE  12          2HB       PHE  12  -2.219   9.086 -15.453
   52    HD1  PHE  12           HD1      PHE  12  -3.058   6.329 -13.056
   53    HD2  PHE  12           HD2      PHE  12  -4.496   9.098 -16.009
   54    HE1  PHE  12           HE1      PHE  12  -5.388   5.621 -12.586
   55    HE2  PHE  12           HE2      PHE  12  -6.826   8.390 -15.538
   56    HZ   PHE  12           HZ       PHE  12  -7.271   6.652 -13.827
   57    HA   PRO  13           HA       PRO  13   1.241   8.061 -18.644
   58   1HB   PRO  13          1HB       PRO  13  -0.059  10.446 -19.594
   59   2HB   PRO  13          2HB       PRO  13   0.137   8.905 -20.433
   60   1HG   PRO  13          1HG       PRO  13  -2.269  10.018 -19.326
   61   2HG   PRO  13          2HG       PRO  13  -2.072   8.475 -20.162
   62   1HD   PRO  13          1HD       PRO  13  -2.538   8.920 -17.347
   63   2HD   PRO  13          2HD       PRO  13  -2.346   7.365 -18.190
   64    H    ASP  14           H        ASP  14  -0.232  10.105 -16.259
   65    HA   ASP  14           HA       ASP  14   1.721  12.273 -16.394
   66   1HB   ASP  14          1HB       ASP  14   0.560  12.945 -14.296
   67   2HB   ASP  14          2HB       ASP  14  -0.586  12.552 -15.578
   68    H    GLY   1           H        GLY   1   2.104   9.119 -15.525
   69   1HA   GLY   1          1HA       GLY   1   4.435   9.764 -13.834
   70   2HA   GLY   1          2HA       GLY   1   4.059   8.183 -14.518
   71    H    ARG   2           H        ARG   2   1.180   8.995 -13.365
   72    HA   ARG   2           HA       ARG   2   1.648   8.549 -10.484
   73   1HB   ARG   2          1HB       ARG   2  -0.045  10.136 -11.459
   74   2HB   ARG   2          2HB       ARG   2  -0.917   8.740 -12.095
   75   1HG   ARG   2          1HG       ARG   2  -1.179   7.855  -9.808
   76   2HG   ARG   2          2HG       ARG   2  -0.296   9.239  -9.167
   77   1HD   ARG   2          1HD       ARG   2  -2.042  10.757 -10.115
   78   2HD   ARG   2          2HD       ARG   2  -2.950   9.329 -10.650
   79    HE   ARG   2           HE       ARG   2  -3.685   9.187  -8.408
   80   1HH1  ARG   2          1HH1      ARG   2  -1.906  11.778  -7.987
   81   2HH1  ARG   2          2HH1      ARG   2  -1.071  11.300  -6.547
   82   1HH2  ARG   2          1HH2      ARG   2  -1.991   7.967  -6.802
   83   2HH2  ARG   2          2HH2      ARG   2  -1.119   9.142  -5.877
   84    H    CYS   3           H        CYS   3   2.404   6.377 -10.331
   85    HA   CYS   3           HA       CYS   3   0.661   4.243 -11.489
   86   1HB   CYS   3          1HB       CYS   3   3.411   4.099 -10.213
   87   2HB   CYS   3          2HB       CYS   3   2.625   2.838 -11.165
   88    H    THR   4           H        THR   4  -0.212   2.623 -10.111
   89    HA   THR   4           HA       THR   4  -0.182   3.305  -7.190
   90    HB   THR   4           HB       THR   4  -2.429   2.433  -7.161
   91    HG1  THR   4           HG1      THR   4  -2.898   0.882  -8.467
   92   1HG2  THR   4          1HG2      THR   4  -1.647   4.571  -8.797
   93   2HG2  THR   4          2HG2      THR   4  -2.813   3.665  -9.761
   94   3HG2  THR   4          3HG2      THR   4  -3.266   4.266  -8.166
   95    H    LYS   5           H        LYS   5  -0.591   1.277  -5.794
   96    HA   LYS   5           HA       LYS   5   1.318  -0.828  -6.628
   97   1HB   LYS   5          1HB       LYS   5   1.453   0.251  -4.411
   98   2HB   LYS   5          2HB       LYS   5  -0.190  -0.278  -4.049
   99   1HG   LYS   5          1HG       LYS   5   0.539  -2.641  -4.308
  100   2HG   LYS   5          2HG       LYS   5   2.187  -2.083  -4.600
  101   1HD   LYS   5          1HD       LYS   5   2.156  -0.964  -2.365
  102   2HD   LYS   5          2HD       LYS   5   0.560  -1.658  -2.075
  103   1HE   LYS   5          1HE       LYS   5   2.101  -3.845  -2.893
  104   2HE   LYS   5          2HE       LYS   5   3.179  -2.921  -1.828
  105   1HZ   LYS   5          1HZ       LYS   5   1.209  -2.705  -0.300
  106   2HZ   LYS   5          2HZ       LYS   5   0.425  -3.875  -1.252
  107   3HZ   LYS   5          3HZ       LYS   5   1.850  -4.274  -0.425

  No H/Q in entry =         107
  Start of MODEL   19
    1    H1   SER   6           H1       SER   6  -5.460  -3.030  -7.544
    2    H2   SER   6           H2       SER   6  -5.352  -1.364  -7.242
    3    H3   SER   6           H3       SER   6  -5.822  -1.919  -8.778
    4    HA   SER   6           HA       SER   6  -3.651  -1.508  -9.263
    5   1HB   SER   6          1HB       SER   6  -2.002  -1.924  -7.210
    6   2HB   SER   6          2HB       SER   6  -2.977  -0.456  -7.303
    7    HG   SER   6           HG       SER   6  -3.778  -1.080  -5.483
    8    H    ILE   7           H        ILE   7  -5.126  -4.077  -9.335
    9    HA   ILE   7           HA       ILE   7  -2.793  -5.856  -9.728
   10    HB   ILE   7           HB       ILE   7  -5.029  -6.287  -7.733
   11   1HG1  ILE   7          1HG1      ILE   7  -2.003  -6.351  -7.539
   12   2HG1  ILE   7          2HG1      ILE   7  -3.057  -5.087  -6.908
   13   1HG2  ILE   7          1HG2      ILE   7  -3.400  -8.241  -9.263
   14   2HG2  ILE   7          2HG2      ILE   7  -3.533  -8.535  -7.530
   15   3HG2  ILE   7          3HG2      ILE   7  -4.988  -8.436  -8.521
   16   1HD1  ILE   7          1HD1      ILE   7  -3.407  -7.964  -6.073
   17   2HD1  ILE   7          2HD1      ILE   7  -2.245  -6.917  -5.259
   18   3HD1  ILE   7          3HD1      ILE   7  -3.960  -6.506  -5.250
   19    HA   PRO   8           HA       PRO   8  -2.124  -6.320 -11.533
   20   1HB   PRO   8          1HB       PRO   8  -2.631  -5.028 -14.052
   21   2HB   PRO   8          2HB       PRO   8  -1.906  -6.612 -13.770
   22   1HG   PRO   8          1HG       PRO   8  -4.508  -6.033 -14.830
   23   2HG   PRO   8          2HG       PRO   8  -3.792  -7.617 -14.526
   24   1HD   PRO   8          1HD       PRO   8  -5.914  -6.310 -13.056
   25   2HD   PRO   8          2HD       PRO   8  -5.218  -7.922 -12.775
   26    HA   PRO   9           HA       PRO   9  -2.109  -2.134 -10.118
   27   1HB   PRO   9          1HB       PRO   9   0.475  -1.605 -11.268
   28   2HB   PRO   9          2HB       PRO   9   0.090  -1.989  -9.589
   29   1HG   PRO   9          1HG       PRO   9   1.405  -3.656 -11.519
   30   2HG   PRO   9          2HG       PRO   9   1.005  -4.048  -9.845
   31   1HD   PRO   9          1HD       PRO   9  -0.230  -5.066 -12.254
   32   2HD   PRO   9          2HD       PRO   9  -0.614  -5.481 -10.567
   33    H    ILE  10           H        ILE  10  -2.315   0.034 -10.983
   34    HA   ILE  10           HA       ILE  10  -2.491   0.144 -13.979
   35    HB   ILE  10           HB       ILE  10  -4.084   1.597 -11.840
   36   1HG1  ILE  10          1HG1      ILE  10  -4.807  -0.720 -13.662
   37   2HG1  ILE  10          2HG1      ILE  10  -4.606  -0.800 -11.912
   38   1HG2  ILE  10          1HG2      ILE  10  -3.746   2.762 -14.077
   39   2HG2  ILE  10          2HG2      ILE  10  -4.615   1.416 -14.815
   40   3HG2  ILE  10          3HG2      ILE  10  -5.425   2.450 -13.637
   41   1HD1  ILE  10          1HD1      ILE  10  -6.405   1.166 -11.977
   42   2HD1  ILE  10          2HD1      ILE  10  -6.821   0.413 -13.516
   43   3HD1  ILE  10          3HD1      ILE  10  -6.902  -0.526 -12.026
   44    H    CYS  11           H        CYS  11  -1.560   1.955 -14.984
   45    HA   CYS  11           HA       CYS  11  -0.164   3.910 -13.182
   46   1HB   CYS  11          1HB       CYS  11   0.698   2.364 -15.619
   47   2HB   CYS  11          2HB       CYS  11   1.484   3.893 -15.225
   48    H    PHE  12           H        PHE  12  -0.085   6.086 -13.973
   49    HA   PHE  12           HA       PHE  12  -2.029   6.663 -16.183
   50   1HB   PHE  12          1HB       PHE  12  -1.112   8.341 -13.823
   51   2HB   PHE  12          2HB       PHE  12  -2.374   8.782 -14.973
   52    HD1  PHE  12           HD1      PHE  12  -3.848   6.298 -15.363
   53    HD2  PHE  12           HD2      PHE  12  -2.167   7.936 -11.766
   54    HE1  PHE  12           HE1      PHE  12  -5.513   5.047 -14.016
   55    HE2  PHE  12           HE2      PHE  12  -3.832   6.685 -10.419
   56    HZ   PHE  12           HZ       PHE  12  -5.504   5.240 -11.544
   57    HA   PRO  13           HA       PRO  13   1.092   8.557 -18.630
   58   1HB   PRO  13          1HB       PRO  13  -0.371  10.991 -19.087
   59   2HB   PRO  13          2HB       PRO  13  -0.217   9.597 -20.158
   60   1HG   PRO  13          1HG       PRO  13  -2.527  10.430 -18.669
   61   2HG   PRO  13          2HG       PRO  13  -2.372   9.034 -19.737
   62   1HD   PRO  13          1HD       PRO  13  -2.557   9.050 -16.854
   63   2HD   PRO  13          2HD       PRO  13  -2.405   7.642 -17.932
   64    H    ASP  14           H        ASP  14  -0.149  10.121 -15.808
   65    HA   ASP  14           HA       ASP  14   1.692  12.395 -15.827
   66   1HB   ASP  14          1HB       ASP  14   0.749  12.700 -13.547
   67   2HB   ASP  14          2HB       ASP  14  -0.521  12.426 -14.740
   68    H    GLY   1           H        GLY   1   2.186   9.128 -15.375
   69   1HA   GLY   1          1HA       GLY   1   4.747   9.624 -14.012
   70   2HA   GLY   1          2HA       GLY   1   4.231   8.094 -14.722
   71    H    ARG   2           H        ARG   2   1.573   8.461 -13.237
   72    HA   ARG   2           HA       ARG   2   2.564   7.685 -10.510
   73   1HB   ARG   2          1HB       ARG   2  -0.041   8.968 -11.400
   74   2HB   ARG   2          2HB       ARG   2   0.394   8.593  -9.732
   75   1HG   ARG   2          1HG       ARG   2   2.395  10.077  -9.974
   76   2HG   ARG   2          2HG       ARG   2   1.828  10.521 -11.584
   77   1HD   ARG   2          1HD       ARG   2  -0.332  11.300 -10.528
   78   2HD   ARG   2          2HD       ARG   2   0.416  11.030  -8.943
   79    HE   ARG   2           HE       ARG   2   1.176  13.123 -10.885
   80   1HH1  ARG   2          1HH1      ARG   2   0.960  12.605  -7.676
   81   2HH1  ARG   2          2HH1      ARG   2   2.553  13.139  -7.253
   82   1HH2  ARG   2          1HH2      ARG   2   3.675  13.241 -10.533
   83   2HH2  ARG   2          2HH2      ARG   2   4.090  13.500  -8.872
   84    H    CYS   3           H        CYS   3   1.697   5.779  -9.619
   85    HA   CYS   3           HA       CYS   3  -0.246   4.252 -11.319
   86   1HB   CYS   3          1HB       CYS   3   2.260   3.251  -9.924
   87   2HB   CYS   3          2HB       CYS   3   1.141   2.254 -10.855
   88    H    THR   4           H        THR   4  -1.593   2.777 -10.102
   89    HA   THR   4           HA       THR   4  -2.604   3.650  -7.641
   90    HB   THR   4           HB       THR   4  -3.547   1.331  -7.537
   91    HG1  THR   4           HG1      THR   4  -1.591   0.983  -9.537
   92   1HG2  THR   4          1HG2      THR   4  -3.485   2.792 -10.180
   93   2HG2  THR   4          2HG2      THR   4  -4.522   1.393  -9.903
   94   3HG2  THR   4          3HG2      THR   4  -4.731   2.853  -8.934
   95    H    LYS   5           H        LYS   5  -0.114   1.170  -8.219
   96    HA   LYS   5           HA       LYS   5   1.289   1.754  -5.762
   97   1HB   LYS   5          1HB       LYS   5  -0.844   0.698  -4.948
   98   2HB   LYS   5          2HB       LYS   5  -0.402  -0.767  -5.826
   99   1HG   LYS   5          1HG       LYS   5   1.719  -0.868  -4.514
  100   2HG   LYS   5          2HG       LYS   5   1.181   0.534  -3.588
  101   1HD   LYS   5          1HD       LYS   5  -0.851  -0.745  -2.904
  102   2HD   LYS   5          2HD       LYS   5  -0.212  -2.156  -3.749
  103   1HE   LYS   5          1HE       LYS   5   1.478  -0.758  -1.679
  104   2HE   LYS   5          2HE       LYS   5   0.254  -1.943  -1.184
  105   1HZ   LYS   5          1HZ       LYS   5   1.249  -3.344  -3.084
  106   2HZ   LYS   5          2HZ       LYS   5   2.598  -2.320  -2.944
  107   3HZ   LYS   5          3HZ       LYS   5   2.106  -3.257  -1.619

  No H/Q in entry =         107
  Start of MODEL   20
    1    H1   SER   6           H1       SER   6  -1.865  -1.485  -8.398
    2    H2   SER   6           H2       SER   6  -3.054  -0.334  -8.030
    3    H3   SER   6           H3       SER   6  -2.576  -1.465  -6.855
    4    HA   SER   6           HA       SER   6  -4.505  -2.459  -7.553
    5   1HB   SER   6          1HB       SER   6  -3.798  -0.858  -9.975
    6   2HB   SER   6          2HB       SER   6  -4.874  -2.237 -10.202
    7    HG   SER   6           HG       SER   6  -6.263  -1.372  -8.679
    8    H    ILE   7           H        ILE   7  -4.941  -4.405  -9.110
    9    HA   ILE   7           HA       ILE   7  -2.412  -5.677 -10.051
   10    HB   ILE   7           HB       ILE   7  -3.263  -7.757  -8.784
   11   1HG1  ILE   7          1HG1      ILE   7  -4.714  -5.719  -7.102
   12   2HG1  ILE   7          2HG1      ILE   7  -5.538  -6.554  -8.419
   13   1HG2  ILE   7          1HG2      ILE   7  -1.680  -5.538  -7.992
   14   2HG2  ILE   7          2HG2      ILE   7  -2.648  -5.998  -6.591
   15   3HG2  ILE   7          3HG2      ILE   7  -1.605  -7.187  -7.372
   16   1HD1  ILE   7          1HD1      ILE   7  -3.965  -8.137  -6.403
   17   2HD1  ILE   7          2HD1      ILE   7  -5.593  -7.588  -6.005
   18   3HD1  ILE   7          3HD1      ILE   7  -5.334  -8.647  -7.392
   19    HA   PRO   8           HA       PRO   8  -1.805  -6.020 -11.899
   20   1HB   PRO   8          1HB       PRO   8  -2.583  -4.636 -14.298
   21   2HB   PRO   8          2HB       PRO   8  -1.697  -6.156 -14.158
   22   1HG   PRO   8          1HG       PRO   8  -4.394  -5.776 -15.043
   23   2HG   PRO   8          2HG       PRO   8  -3.522  -7.300 -14.862
   24   1HD   PRO   8          1HD       PRO   8  -5.664  -6.255 -13.210
   25   2HD   PRO   8          2HD       PRO   8  -4.832  -7.822 -13.070
   26    HA   PRO   9           HA       PRO   9  -2.136  -1.944 -10.204
   27   1HB   PRO   9          1HB       PRO   9   0.373  -1.131 -11.353
   28   2HB   PRO   9          2HB       PRO   9   0.054  -1.648  -9.696
   29   1HG   PRO   9          1HG       PRO   9   1.471  -3.075 -11.739
   30   2HG   PRO   9          2HG       PRO   9   1.128  -3.604 -10.091
   31   1HD   PRO   9          1HD       PRO   9  -0.056  -4.558 -12.556
   32   2HD   PRO   9          2HD       PRO   9  -0.368  -5.125 -10.898
   33    H    ILE  10           H        ILE  10  -2.581   0.226 -10.932
   34    HA   ILE  10           HA       ILE  10  -2.920   0.473 -13.898
   35    HB   ILE  10           HB       ILE  10  -4.273   1.902 -11.584
   36   1HG1  ILE  10          1HG1      ILE  10  -4.909  -0.419 -11.536
   37   2HG1  ILE  10          2HG1      ILE  10  -6.233   0.461 -12.302
   38   1HG2  ILE  10          1HG2      ILE  10  -4.633   1.945 -14.580
   39   2HG2  ILE  10          2HG2      ILE  10  -5.955   2.373 -13.495
   40   3HG2  ILE  10          3HG2      ILE  10  -4.461   3.309 -13.476
   41   1HD1  ILE  10          1HD1      ILE  10  -5.336  -0.141 -14.529
   42   2HD1  ILE  10          2HD1      ILE  10  -4.029  -1.037 -13.753
   43   3HD1  ILE  10          3HD1      ILE  10  -5.698  -1.580 -13.575
   44    H    CYS  11           H        CYS  11  -1.870   2.152 -14.944
   45    HA   CYS  11           HA       CYS  11  -0.396   4.126 -13.228
   46   1HB   CYS  11          1HB       CYS  11   0.333   2.700 -15.801
   47   2HB   CYS  11          2HB       CYS  11   1.262   4.056 -15.161
   48    H    PHE  12           H        PHE  12  -0.358   6.294 -14.000
   49    HA   PHE  12           HA       PHE  12  -2.376   6.895 -16.132
   50   1HB   PHE  12          1HB       PHE  12  -1.385   8.271 -13.640
   51   2HB   PHE  12          2HB       PHE  12  -2.204   9.195 -14.899
   52    HD1  PHE  12           HD1      PHE  12  -2.577   6.113 -12.805
   53    HD2  PHE  12           HD2      PHE  12  -4.550   9.248 -14.978
   54    HE1  PHE  12           HE1      PHE  12  -4.769   5.317 -11.962
   55    HE2  PHE  12           HE2      PHE  12  -6.743   8.454 -14.134
   56    HZ   PHE  12           HZ       PHE  12  -6.852   6.487 -12.626
   57    HA   PRO  13           HA       PRO  13   0.604   8.714 -18.796
   58   1HB   PRO  13          1HB       PRO  13  -0.713  11.261 -19.043
   59   2HB   PRO  13          2HB       PRO  13  -0.761   9.897 -20.164
   60   1HG   PRO  13          1HG       PRO  13  -2.856  10.839 -18.439
   61   2HG   PRO  13          2HG       PRO  13  -2.903   9.472 -19.557
   62   1HD   PRO  13          1HD       PRO  13  -2.818   9.401 -16.670
   63   2HD   PRO  13          2HD       PRO  13  -2.872   8.025 -17.795
   64    H    ASP  14           H        ASP  14  -0.203  10.191 -15.796
   65    HA   ASP  14           HA       ASP  14   1.735  12.378 -15.923
   66   1HB   ASP  14          1HB       ASP  14   1.100  12.582 -13.526
   67   2HB   ASP  14          2HB       ASP  14  -0.319  12.449 -14.567
   68    H    GLY   1           H        GLY   1   2.083   9.058 -15.663
   69   1HA   GLY   1          1HA       GLY   1   4.837   9.351 -14.671
   70   2HA   GLY   1          2HA       GLY   1   4.123   7.876 -15.326
   71    H    ARG   2           H        ARG   2   1.738   8.298 -13.486
   72    HA   ARG   2           HA       ARG   2   3.060   7.468 -10.921
   73   1HB   ARG   2          1HB       ARG   2   0.445   8.883 -11.522
   74   2HB   ARG   2          2HB       ARG   2   0.921   8.348  -9.910
   75   1HG   ARG   2          1HG       ARG   2   3.005   9.724 -10.130
   76   2HG   ARG   2          2HG       ARG   2   2.388  10.342 -11.662
   77   1HD   ARG   2          1HD       ARG   2   0.330  11.139 -10.422
   78   2HD   ARG   2          2HD       ARG   2   1.149  10.698  -8.912
   79    HE   ARG   2           HE       ARG   2   2.748  12.450  -9.311
   80   1HH1  ARG   2          1HH1      ARG   2   0.043  13.525 -10.528
   81   2HH1  ARG   2          2HH1      ARG   2   0.667  14.319 -11.935
   82   1HH2  ARG   2          1HH2      ARG   2   3.782  12.811 -11.728
   83   2HH2  ARG   2          2HH2      ARG   2   2.784  13.915 -12.614
   84    H    CYS   3           H        CYS   3   2.225   5.599  -9.893
   85    HA   CYS   3           HA       CYS   3   0.124   4.081 -11.400
   86   1HB   CYS   3          1HB       CYS   3   2.761   3.135 -10.233
   87   2HB   CYS   3          2HB       CYS   3   1.526   2.058 -10.885
   88    H    THR   4           H        THR   4  -1.020   2.493 -10.024
   89    HA   THR   4           HA       THR   4  -1.425   3.519  -7.288
   90    HB   THR   4           HB       THR   4  -3.375   2.069  -7.372
   91    HG1  THR   4           HG1      THR   4  -1.838   0.837  -9.326
   92   1HG2  THR   4          1HG2      THR   4  -2.926   4.146  -9.095
   93   2HG2  THR   4          2HG2      THR   4  -3.374   2.858 -10.214
   94   3HG2  THR   4          3HG2      THR   4  -4.476   3.320  -8.917
   95    H    LYS   5           H        LYS   5  -1.875   1.547  -5.648
   96    HA   LYS   5           HA       LYS   5  -0.099  -0.757  -5.929
   97   1HB   LYS   5          1HB       LYS   5   1.358   1.302  -5.473
   98   2HB   LYS   5          2HB       LYS   5   0.615   1.348  -3.873
   99   1HG   LYS   5          1HG       LYS   5   1.353  -1.017  -3.517
  100   2HG   LYS   5          2HG       LYS   5   2.196  -0.950  -5.065
  101   1HD   LYS   5          1HD       LYS   5   3.578   0.911  -4.251
  102   2HD   LYS   5          2HD       LYS   5   2.711   0.900  -2.715
  103   1HE   LYS   5          1HE       LYS   5   3.924  -1.683  -3.614
  104   2HE   LYS   5          2HE       LYS   5   5.019  -0.427  -3.004
  105   1HZ   LYS   5          1HZ       LYS   5   3.211  -0.172  -1.187
  106   2HZ   LYS   5          2HZ       LYS   5   2.753  -1.743  -1.644
  107   3HZ   LYS   5          3HZ       LYS   5   4.321  -1.453  -1.063

  No H/Q in entry =         107