*HEADER    ANTIBIOTIC                              20-MAR-14   2MMW              
*TITLE     LASSO PEPTIDE BASED INTEGRIN INHIBITOR: MICROCIN J25 VARIANT WITH RGD 
*TITLE    2 SUBSTITUTION OF GLY12-ILE13-GLY14                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MICROCIN J25;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MCCJ25;                                                     
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 562;                                                 
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LASSO PEPTIDE, MICROCIN J25, EPITOPE GRAFTING, PEPTIDE SCAFFOLD,      
*KEYWDS   2 INTEGRIN INHIBITOR, ANGIOGENESIS, ANTIMICROBIAL PROTEIN, CELL        
*KEYWDS   3 ADHESION INHIBITOR, ANTIBIOTIC                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.A.KNAPPE, U.LINNE, X.XIE, M.A.MARAHIEL                              
*REVDAT   1   14-MAY-14 2MMW    0                                                


#
# DYANA Upper Limit File for molecule named: mcj.upl 
# created on July 12 2010; 
# based on NOESY 250 ms in CD3OD at 298 K 
# Atom names according to the convention of cyana.lib
  1 GLY  H       2 GLY  H       2.50 
  1 GLY  H       8 GLU  HB2     3.30 
  1 GLY  H       8 GLU  HB3     3.00 
  1 GLY  H       8 GLU  HG2     2.80 
  1 GLY  H       8 GLU  HG3     2.80 
  1 GLY  H       8 GLU  QG      2.80 
# Manual Input for proper geometry 
# of side-chain/backbone peptide bond
  1 GLY  N       8 GLU  CD      1.33 
  1 GLY  N       8 GLU  OE1     2.26 
  1 GLY  N       8 GLU  CG      2.41 
  1 GLY  H       8 GLU  CD      2.06 
  1 GLY  CA      8 GLU  CD      2.42 
  1 GLY  H       1 GLY  CA      2.09 
  1 GLY  CA      8 GLU  OE1     2.78 
  1 GLY  H       8 GLU  OE1     3.17 
# END Manual Input
  1 GLY  H       9 TYR  HD1     2.50 
  1 GLY  HA2     9 TYR  HE1     3.30 
  1 GLY  H      18 SER  HB2     3.00 
  1 GLY  H      18 SER  HB3     3.50 
  2 GLY  H       3 ALA  H       3.30 
  2 GLY  H      18 SER  HB2     3.50 
  2 GLY  H      18 SER  HB3     3.50 
  2 GLY  H      19 PHE  H       2.50 
  2 GLY  HA2     3 ALA  H       2.50 
  2 GLY  HA3     3 ALA  H       2.50 
  3 ALA  HA      4 GLY  H       2.30 
  3 ALA  HA     19 PHE  HB2     3.00 
  3 ALA  HA     19 PHE  HB3     3.00 
  3 ALA  HA     19 PHE  QB      3.00 
  3 ALA  HA     19 PHE  QD      4.50 
  4 GLY  H      19 PHE  HB2     3.00 
  4 GLY  H      19 PHE  HB3     3.00 
  4 GLY  H      19 PHE  QB      3.00 
  4 GLY  HA3     5 HIS  H       2.50 
  4 GLY  HA2     5 HIS  H       2.50 
  4 GLY  HA3    19 PHE  HB2     4.00 
  4 GLY  HA3    19 PHE  HB3     4.00 
  4 GLY  HA2    19 PHE  HB2     4.00 
  4 GLY  HA2    19 PHE  HB3     4.00 
  5 HIS  H       5 HIS  HB2     3.00 
  5 HIS  H       5 HIS  HB3     3.50 
  5 HIS  HA      5 HIS  HB2     3.00 
  5 HIS  H       6 VAL  H       2.50 
  5 HIS  HB2     6 VAL  H       3.50 
  5 HIS  HB3     6 VAL  H       3.50 
  5 HIS  HA     19 PHE  QD      4.50 
  6 VAL  H      19 PHE  QB      3.50 
  6 VAL  H      19 PHE  QD      4.50 
  6 VAL  H      20 TYR  H       2.50 
  6 VAL  HA      7 PRO  HD2     2.30 
  6 VAL  HA      7 PRO  HD3     2.30 
  6 VAL  HB     20 TYR  H       3.50 
  6 VAL  HB     20 TYR  QE      4.50 
  6 VAL QQG     20 TYR  QE      5.50 
  7 PRO  HA      8 GLU  H       2.30 
  7 PRO  HB2    10 PHE  HZ      2.80 
  7 PRO  HG2    10 PHE  HZ      2.30 
  7 PRO  HB3    16 PRO  HB3     3.00 
  7 PRO  HB3    16 PRO  HG3     2.80 
  7 PRO  HA     19 PHE  HA      2.50 
  7 PRO  HA     19 PHE  QD      4.00 
  7 PRO  HB2    19 PHE  QD      4.50 
  7 PRO  HG2    19 PHE  QD      4.50 
  7 PRO  HD2    19 PHE  QD      4.50 
  8 GLU  H       9 TYR  H       2.50 
  8 GLU  H      19 PHE  HA      2.30 
  8 GLU  H      20 TYR  H       3.50 
  8 GLU  HA     20 TYR  QD      4.50 
  8 GLU  HA     20 TYR  QE      4.50 
  8 GLU  HB2     9 TYR  H       3.00 
  8 GLU  HB2     9 TYR  HD1     2.00 
  8 GLU  HB2    20 TYR  QD      4.50 
  8 GLU  HB3     9 TYR  H       3.30 
  8 GLU  HB3    20 TYR  QD      4.50 
  8 GLU  HG2    19 PHE  HA      3.50 
  8 GLU  HG2    20 TYR  QD      4.50 
  8 GLU  QB     20 TYR  H       4.50 
  8 GLU  HG3    19 PHE  HA      3.50 
  8 GLU  HG3    20 TYR  QD      4.50 
  8 GLU  QG      9 TYR  H       4.00 
  8 GLU  QG     19 PHE  HA      3.50 
  8 GLU  QG     20 TYR  QD      4.50 
  9 TYR  HA     10 PHE  H       2.30 
  9 TYR  HB2    10 PHE  H       3.00 
  9 TYR  HB3    10 PHE  H       3.50 
 10 PHE  HA     11 VAL  H       2.30 
 10 PHE  HB2    11 VAL  H       2.80 
 10 PHE  HB3    11 VAL  H       3.30 
 10 PHE  HA     16 PRO  HA      2.00 
 10 PHE  HD2    16 PRO  HD3     2.50 
 10 PHE  HE1    16 PRO  HB3     4.30 
 10 PHE  HE2    16 PRO  HB3     3.50 
 10 PHE  HE2    16 PRO  HG3     3.00 
 10 PHE  HA     17 ILE  H       3.50 
 11 VAL  H      12 ARG  H       4.50 
 11 VAL  HA     12 ARG  H       2.50 
 11 VAL  HB     12 ARG  H       2.80 
 11 VAL  QQG    12 ARG  H       5.00 
 12 ARG  H      13 GLY  H       3.50 
 12 ARG  H      15 THR  H       5.50 
 12 ARG  HA     13 GLY  H       2.50 
 13 GLY  H      14 ASP  H       2.80 
 13 GLY  HA3    14 ASP  H       2.30 
 14 ASP  H      15 THR  H       2.50 
 15 THR  HA     16 PRO  HD3     2.30 
 15 THR  HA     16 PRO  HD2     2.30 
 16 PRO  HA     17 ILE  H       2.00 
 16 PRO  HB2    19 PHE  QE      4.50 
 16 PRO  HB3    17 ILE  H       3.00 
 16 PRO  HB3    19 PHE  QE      4.50 
 16 PRO  HG2    19 PHE  QE      4.50 
 16 PRO  HG3    19 PHE  QE      4.30 
 17 ILE  H      18 SER  H       2.30 
 17 ILE  HA     18 SER  H       2.30 
 17 ILE QG2     18 SER  H       4.00 
 17 ILE QG2     19 PHE  QE      5.00 
 17 ILE QG1     18 SER  H       4.00 
 18 SER  HA     19 PHE  H       2.50 
 18 SER  HA     19 PHE  QD      4.00 
 18 SER  HB2    19 PHE  H       2.30 
 18 SER  HB2    19 PHE  QD      4.50 
 18 SER  HB3    19 PHE  H       2.80 
 19 PHE  HA     20 TYR  H       2.30 
 19 PHE  HB2    20 TYR  H       2.50 
 19 PHE  HB3    20 TYR  H       2.50 
 20 TYR  HA     21 GLY  H       2.30 
 20 TYR  HB2    21 GLY  H       2.50 
 20 TYR  HB3    21 GLY  H       2.50 
 20 TYR  QD     21 GLY  H       4.50 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1   2.220   0.071   0.599
    2    HA2  GLY   1           HA3      GLY   1   2.839  -0.158  -1.625
    3    HA3  GLY   1           HA2      GLY   1   1.288  -0.973  -1.910
    4    H    GLY   2           H        GLY   2   1.443   2.406  -0.536
    5    HA2  GLY   2           HA3      GLY   2   1.349   3.711  -3.102
    6    HA3  GLY   2           HA2      GLY   2  -0.302   3.410  -2.483
    7    H    ALA   3           H        ALA   3  -0.814   5.703  -1.984
    8    HA   ALA   3           HA       ALA   3   0.698   6.770   0.358
    9    HB1  ALA   3           HB1      ALA   3   1.072   8.942  -0.791
   10    HB2  ALA   3           HB2      ALA   3   1.884   7.621  -1.680
   11    HB3  ALA   3           HB3      ALA   3   0.338   8.286  -2.288
   12    H    GLY   4           H        GLY   4  -1.864   5.632   0.466
   13    HA2  GLY   4           HA3      GLY   4  -3.810   7.874   0.321
   14    HA3  GLY   4           HA2      GLY   4  -4.140   6.164   0.640
   15    H    HIS   5           H        HIS   5  -5.256   6.455   2.682
   16    HA   HIS   5           HA       HIS   5  -4.008   8.235   4.700
   17    HB2  HIS   5           HB2      HIS   5  -6.769   7.003   4.356
   18    HB3  HIS   5           HB3      HIS   5  -6.187   7.221   6.010
   19    HD1  HIS   5           HD1      HIS   5  -5.950   9.467   2.944
   20    HD2  HIS   5           HD2      HIS   5  -7.069   9.452   6.998
   21    HE1  HIS   5           HE1      HIS   5  -6.660  11.844   3.473
   22    H    VAL   6           H        VAL   6  -4.621   4.640   4.304
   23    HA   VAL   6           HA       VAL   6  -3.888   4.375   7.165
   24    HB   VAL   6           HB       VAL   6  -5.017   2.376   5.178
   25   HG11  VAL   6          HG11      VAL   6  -5.536   0.945   7.146
   26   HG12  VAL   6          HG12      VAL   6  -3.782   1.237   7.076
   27   HG13  VAL   6          HG13      VAL   6  -4.802   2.133   8.243
   28   HG21  VAL   6          HG21      VAL   6  -7.187   2.715   6.391
   29   HG22  VAL   6          HG22      VAL   6  -6.426   3.988   7.388
   30   HG23  VAL   6          HG23      VAL   6  -6.640   4.226   5.633
   31    HA   PRO   7           HA       PRO   7   0.181   3.144   5.626
   32    HB2  PRO   7           HB2      PRO   7   1.289   1.795   7.781
   33    HB3  PRO   7           HB3      PRO   7   1.067   3.568   7.701
   34    HG2  PRO   7           HG2      PRO   7  -0.850   1.562   8.959
   35    HG3  PRO   7           HG3      PRO   7  -0.171   3.038   9.725
   36    HD2  PRO   7           HD2      PRO   7  -2.643   3.101   8.651
   37    HD3  PRO   7           HD3      PRO   7  -1.546   4.487   8.300
   38    H    GLU   8           H        GLU   8   1.069   1.271   4.441
   39    HA   GLU   8           HA       GLU   8  -0.701  -1.107   4.407
   40    HB2  GLU   8           HB2      GLU   8   1.804  -0.500   2.767
   41    HB3  GLU   8           HB3      GLU   8   0.748  -1.924   2.559
   42    HG2  GLU   8           HG2      GLU   8  -1.172  -0.441   2.025
   43    HG3  GLU   8           HG3      GLU   8  -0.120   0.989   2.172
   44    H    TYR   9           H        TYR   9   2.866  -0.315   4.940
   45    HA   TYR   9           HA       TYR   9   3.052  -2.843   6.550
   46    HB2  TYR   9           HB2      TYR   9   5.071  -1.734   4.505
   47    HB3  TYR   9           HB3      TYR   9   5.222  -3.267   5.387
   48    HD1  TYR   9           HD2      TYR   9   3.285  -5.017   5.083
   49    HD2  TYR   9           HD1      TYR   9   4.033  -1.810   2.321
   50    HE1  TYR   9           HE2      TYR   9   2.029  -6.221   3.325
   51    HE2  TYR   9           HE1      TYR   9   2.729  -2.969   0.598
   52    HH   TYR   9           HH       TYR   9   1.445  -4.916   0.056
   53    H    PHE  10           H        PHE  10   5.281  -2.797   7.787
   54    HA   PHE  10           HA       PHE  10   5.964   0.006   8.592
   55    HB2  PHE  10           HB2      PHE  10   5.154  -2.365  10.382
   56    HB3  PHE  10           HB3      PHE  10   6.009  -0.949  11.007
   57    HD1  PHE  10           HD1      PHE  10   2.813  -2.053   9.376
   58    HD2  PHE  10           HD2      PHE  10   4.908   1.267  11.131
   59    HE1  PHE  10           HE1      PHE  10   0.658  -0.897   9.774
   60    HE2  PHE  10           HE2      PHE  10   2.745   2.382  11.599
   61    HZ   PHE  10           HZ       PHE  10   0.616   1.213  11.084
   62    H    VAL  11           H        VAL  11   8.007  -0.078  10.041
   63    HA   VAL  11           HA       VAL  11   9.954  -1.841   8.580
   64    HB   VAL  11           HB       VAL  11  11.612  -0.166   8.977
   65   HG11  VAL  11          HG11      VAL  11  10.031   0.503   7.205
   66   HG12  VAL  11          HG12      VAL  11   8.984   1.332   8.383
   67   HG13  VAL  11          HG13      VAL  11  10.628   1.934   8.099
   68   HG21  VAL  11          HG21      VAL  11  11.323   0.321  11.373
   69   HG22  VAL  11          HG22      VAL  11  11.236   1.840  10.467
   70   HG23  VAL  11          HG23      VAL  11   9.744   1.069  11.074
   71    H    ARG  12           H        ARG  12  12.063  -1.952  10.466
   72    HA   ARG  12           HA       ARG  12  10.816  -3.657  12.499
   73    HB2  ARG  12           HB2      ARG  12  12.990  -4.133  11.228
   74    HB3  ARG  12           HB3      ARG  12  13.789  -2.924  12.260
   75    HG2  ARG  12           HG2      ARG  12  13.071  -4.309  14.305
   76    HG3  ARG  12           HG3      ARG  12  12.267  -5.446  13.193
   77    HD2  ARG  12           HD2      ARG  12  14.322  -6.496  13.709
   78    HD3  ARG  12           HD3      ARG  12  14.530  -5.830  12.054
   79    HE   ARG  12           HE       ARG  12  15.502  -3.937  14.007
   80   HH11  ARG  12          HH11      ARG  12  16.332  -7.165  12.623
   81   HH12  ARG  12          HH12      ARG  12  18.035  -6.968  13.008
   82   HH21  ARG  12          HH21      ARG  12  17.702  -3.796  14.475
   83   HH22  ARG  12          HH22      ARG  12  18.801  -5.105  14.034
   84    H    GLY  13           H        GLY  13   9.498  -1.531  13.194
   85    HA2  GLY  13           HA3      GLY  13   9.105  -0.342  15.155
   86    HA3  GLY  13           HA2      GLY  13  10.703  -0.813  15.731
   87    H    ASP  14           H        ASP  14   9.007   1.518  13.444
   88    HA   ASP  14           HA       ASP  14  10.376   3.599  14.778
   89    HB2  ASP  14           HB2      ASP  14  12.125   2.586  12.881
   90    HB3  ASP  14           HB3      ASP  14  11.360   3.856  11.923
   91    H    THR  15           H        THR  15   9.216   3.320  11.302
   92    HA   THR  15           HA       THR  15   6.713   4.591  11.933
   93    HB   THR  15           HB       THR  15   7.646   6.516  10.078
   94    HG1  THR  15           HG1      THR  15   9.738   7.175  10.992
   95   HG21  THR  15          HG21      THR  15   7.668   6.941  13.124
   96   HG22  THR  15          HG22      THR  15   6.226   7.056  12.077
   97   HG23  THR  15          HG23      THR  15   7.581   8.193  11.866
   98    HA   PRO  16           HA       PRO  16   6.314   2.337   8.101
   99    HB2  PRO  16           HB2      PRO  16   3.941   3.263   7.006
  100    HB3  PRO  16           HB3      PRO  16   3.967   2.479   8.614
  101    HG2  PRO  16           HG2      PRO  16   4.161   5.486   8.068
  102    HG3  PRO  16           HG3      PRO  16   2.900   4.685   9.057
  103    HD2  PRO  16           HD2      PRO  16   5.126   5.744  10.253
  104    HD3  PRO  16           HD3      PRO  16   4.557   4.114  10.788
  105    H    ILE  17           H        ILE  17   6.170   2.605   5.580
  106    HA   ILE  17           HA       ILE  17   7.064   5.331   4.708
  107    HB   ILE  17           HB       ILE  17   8.341   2.769   3.646
  108   HG12  ILE  17          HG12      ILE  17   9.436   4.412   5.999
  109   HG13  ILE  17          HG13      ILE  17   8.838   2.735   6.060
  110   HG21  ILE  17          HG21      ILE  17   8.504   5.117   2.401
  111   HG22  ILE  17          HG22      ILE  17   9.535   5.606   3.756
  112   HG23  ILE  17          HG23      ILE  17  10.016   4.255   2.686
  113   HD11  ILE  17          HD11      ILE  17  11.344   3.670   4.517
  114   HD12  ILE  17          HD12      ILE  17  11.310   2.683   5.976
  115   HD13  ILE  17          HD13      ILE  17  10.657   2.018   4.458
  116    H    SER  18           H        SER  18   4.350   4.238   4.533
  117    HA   SER  18           HA       SER  18   3.847   4.599   1.784
  118    HB2  SER  18           HB2      SER  18   3.171   2.145   1.233
  119    HB3  SER  18           HB3      SER  18   4.920   2.404   1.242
  120    HG   SER  18           HG       SER  18   4.353   0.571   2.596
  121    H    PHE  19           H        PHE  19   1.507   4.211   1.242
  122    HA   PHE  19           HA       PHE  19  -0.180   3.210   3.434
  123    HB2  PHE  19           HB2      PHE  19  -0.470   6.061   2.311
  124    HB3  PHE  19           HB3      PHE  19  -1.517   5.335   3.535
  125    HD1  PHE  19           HD1      PHE  19   1.968   6.511   2.764
  126    HD2  PHE  19           HD2      PHE  19  -0.826   5.508   5.878
  127    HE1  PHE  19           HE1      PHE  19   3.581   7.287   4.463
  128    HE2  PHE  19           HE2      PHE  19   0.775   6.327   7.572
  129    HZ   PHE  19           HZ       PHE  19   2.959   7.274   6.865
  130    H    TYR  20           H        TYR  20  -2.673   3.480   2.654
  131    HA   TYR  20           HA       TYR  20  -2.764   1.527   0.598
  132    HB2  TYR  20           HB2      TYR  20  -4.933   3.455   1.630
  133    HB3  TYR  20           HB3      TYR  20  -5.268   2.104   0.530
  134    HD1  TYR  20           HD1      TYR  20  -2.769   1.023   2.972
  135    HD2  TYR  20           HD2      TYR  20  -6.969   1.771   2.421
  136    HE1  TYR  20           HE1      TYR  20  -3.276  -0.600   4.714
  137    HE2  TYR  20           HE2      TYR  20  -7.477   0.152   4.213
  138    HH   TYR  20           HH       TYR  20  -4.976  -1.676   5.991
  139    H    GLY  21           H        GLY  21  -4.219   1.859  -1.567
  140    HA2  GLY  21           HA3      GLY  21  -4.060   4.566  -2.650
  141    HA3  GLY  21           HA2      GLY  21  -2.838   3.460  -3.347
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   2.348  -0.119   0.799
    2    HA2  GLY   1           HA3      GLY   1   3.045  -0.410  -1.394
    3    HA3  GLY   1           HA2      GLY   1   1.492  -1.210  -1.715
    4    H    GLY   2           H        GLY   2   1.657   2.198  -0.450
    5    HA2  GLY   2           HA3      GLY   2   1.665   3.414  -3.063
    6    HA3  GLY   2           HA2      GLY   2  -0.008   3.194  -2.467
    7    H    ALA   3           H        ALA   3  -0.422   5.531  -2.092
    8    HA   ALA   3           HA       ALA   3   1.036   6.603   0.285
    9    HB1  ALA   3           HB1      ALA   3   2.316   7.375  -1.730
   10    HB2  ALA   3           HB2      ALA   3   0.811   8.066  -2.407
   11    HB3  ALA   3           HB3      ALA   3   1.510   8.738  -0.899
   12    H    GLY   4           H        GLY   4  -1.541   5.531   0.338
   13    HA2  GLY   4           HA3      GLY   4  -3.437   7.795   0.024
   14    HA3  GLY   4           HA2      GLY   4  -3.812   6.101   0.373
   15    H    HIS   5           H        HIS   5  -4.958   6.328   2.379
   16    HA   HIS   5           HA       HIS   5  -3.874   8.277   4.349
   17    HB2  HIS   5           HB2      HIS   5  -6.602   7.278   3.666
   18    HB3  HIS   5           HB3      HIS   5  -6.294   7.193   5.399
   19    HD1  HIS   5           HD1      HIS   5  -5.978   9.375   6.650
   20    HD2  HIS   5           HD2      HIS   5  -6.581   9.801   2.512
   21    HE1  HIS   5           HE1      HIS   5  -6.469  11.826   6.285
   22    H    VAL   6           H        VAL   6  -4.375   4.675   4.083
   23    HA   VAL   6           HA       VAL   6  -3.842   4.526   7.016
   24    HB   VAL   6           HB       VAL   6  -4.959   2.494   5.046
   25   HG11  VAL   6          HG11      VAL   6  -5.601   1.149   7.024
   26   HG12  VAL   6          HG12      VAL   6  -3.835   1.387   7.013
   27   HG13  VAL   6          HG13      VAL   6  -4.870   2.345   8.120
   28   HG21  VAL   6          HG21      VAL   6  -7.161   2.944   6.155
   29   HG22  VAL   6          HG22      VAL   6  -6.404   4.228   7.142
   30   HG23  VAL   6          HG23      VAL   6  -6.530   4.410   5.369
   31    HA   PRO   7           HA       PRO   7   0.238   3.130   5.654
   32    HB2  PRO   7           HB2      PRO   7   1.228   1.819   7.884
   33    HB3  PRO   7           HB3      PRO   7   1.057   3.597   7.748
   34    HG2  PRO   7           HG2      PRO   7  -0.950   1.673   8.992
   35    HG3  PRO   7           HG3      PRO   7  -0.258   3.159   9.738
   36    HD2  PRO   7           HD2      PRO   7  -2.694   3.252   8.579
   37    HD3  PRO   7           HD3      PRO   7  -1.544   4.601   8.235
   38    H    GLU   8           H        GLU   8   1.079   1.210   4.537
   39    HA   GLU   8           HA       GLU   8  -0.743  -1.130   4.524
   40    HB2  GLU   8           HB2      GLU   8   1.833  -0.627   2.958
   41    HB3  GLU   8           HB3      GLU   8   0.752  -2.033   2.753
   42    HG2  GLU   8           HG2      GLU   8  -1.112  -0.522   2.111
   43    HG3  GLU   8           HG3      GLU   8  -0.030   0.888   2.249
   44    H    TYR   9           H        TYR   9   2.783  -0.363   5.241
   45    HA   TYR   9           HA       TYR   9   2.896  -2.894   6.855
   46    HB2  TYR   9           HB2      TYR   9   5.009  -1.794   4.897
   47    HB3  TYR   9           HB3      TYR   9   5.103  -3.333   5.779
   48    HD1  TYR   9           HD2      TYR   9   3.149  -5.049   5.395
   49    HD2  TYR   9           HD1      TYR   9   4.069  -1.848   2.670
   50    HE1  TYR   9           HE2      TYR   9   1.992  -6.257   3.590
   51    HE2  TYR   9           HE1      TYR   9   2.879  -3.045   0.868
   52    HH   TYR   9           HH       TYR   9   1.386  -6.262   1.282
   53    H    PHE  10           H        PHE  10   5.077  -2.859   8.171
   54    HA   PHE  10           HA       PHE  10   5.802  -0.056   8.944
   55    HB2  PHE  10           HB2      PHE  10   4.877  -2.362  10.758
   56    HB3  PHE  10           HB3      PHE  10   5.748  -0.946  11.371
   57    HD1  PHE  10           HD1      PHE  10   2.577  -2.031   9.692
   58    HD2  PHE  10           HD2      PHE  10   4.709   1.304  11.376
   59    HE1  PHE  10           HE1      PHE  10   0.444  -0.802   9.973
   60    HE2  PHE  10           HE2      PHE  10   2.564   2.495  11.726
   61    HZ   PHE  10           HZ       PHE  10   0.420   1.362  11.192
   62    H    VAL  11           H        VAL  11   7.801  -0.179  10.459
   63    HA   VAL  11           HA       VAL  11   9.735  -2.025   9.079
   64    HB   VAL  11           HB       VAL  11  11.413  -0.362   9.421
   65   HG11  VAL  11          HG11      VAL  11   8.818   1.161   8.748
   66   HG12  VAL  11          HG12      VAL  11  10.480   1.716   8.465
   67   HG13  VAL  11          HG13      VAL  11   9.863   0.269   7.614
   68   HG21  VAL  11          HG21      VAL  11  11.107   0.221  11.798
   69   HG22  VAL  11          HG22      VAL  11  11.068   1.705  10.834
   70   HG23  VAL  11          HG23      VAL  11   9.549   0.993  11.444
   71    H    ARG  12           H        ARG  12  11.801  -2.108  10.945
   72    HA   ARG  12           HA       ARG  12  10.642  -3.672  13.136
   73    HB2  ARG  12           HB2      ARG  12  13.491  -2.673  12.598
   74    HB3  ARG  12           HB3      ARG  12  13.045  -3.758  13.934
   75    HG2  ARG  12           HG2      ARG  12  12.352  -5.536  12.453
   76    HG3  ARG  12           HG3      ARG  12  12.422  -4.512  11.002
   77    HD2  ARG  12           HD2      ARG  12  14.870  -5.183  12.720
   78    HD3  ARG  12           HD3      ARG  12  14.374  -6.098  11.253
   79    HE   ARG  12           HE       ARG  12  14.537  -3.371  10.488
   80   HH11  ARG  12          HH11      ARG  12  16.746  -5.991  11.600
   81   HH12  ARG  12          HH12      ARG  12  18.104  -5.314  10.711
   82   HH21  ARG  12          HH21      ARG  12  16.332  -2.588   9.386
   83   HH22  ARG  12          HH22      ARG  12  17.880  -3.431   9.479
   84    H    GLY  13           H        GLY  13   9.118  -1.709  13.733
   85    HA2  GLY  13           HA3      GLY  13   8.606  -0.259  15.470
   86    HA3  GLY  13           HA2      GLY  13  10.136  -0.759  16.202
   87    H    ASP  14           H        ASP  14   8.705   1.561  13.749
   88    HA   ASP  14           HA       ASP  14  10.101   3.613  15.116
   89    HB2  ASP  14           HB2      ASP  14  11.890   2.490  13.354
   90    HB3  ASP  14           HB3      ASP  14  11.209   3.723  12.290
   91    H    THR  15           H        THR  15   9.065   3.271  11.607
   92    HA   THR  15           HA       THR  15   6.581   4.643  12.103
   93    HB   THR  15           HB       THR  15   7.618   6.465  10.216
   94    HG1  THR  15           HG1      THR  15   9.703   7.102  11.154
   95   HG21  THR  15          HG21      THR  15   7.554   8.209  11.937
   96   HG22  THR  15          HG22      THR  15   7.591   7.010  13.248
   97   HG23  THR  15          HG23      THR  15   6.170   7.111  12.170
   98    HA   PRO  16           HA       PRO  16   6.242   2.244   8.353
   99    HB2  PRO  16           HB2      PRO  16   3.937   3.197   7.147
  100    HB3  PRO  16           HB3      PRO  16   3.888   2.469   8.783
  101    HG2  PRO  16           HG2      PRO  16   4.187   5.445   8.134
  102    HG3  PRO  16           HG3      PRO  16   2.873   4.713   9.111
  103    HD2  PRO  16           HD2      PRO  16   5.080   5.759  10.348
  104    HD3  PRO  16           HD3      PRO  16   4.452   4.161  10.913
  105    H    ILE  17           H        ILE  17   6.200   2.421   5.824
  106    HA   ILE  17           HA       ILE  17   7.165   5.095   4.877
  107    HB   ILE  17           HB       ILE  17   8.476   2.490   3.975
  108   HG12  ILE  17          HG12      ILE  17   9.489   4.243   6.294
  109   HG13  ILE  17          HG13      ILE  17   8.875   2.574   6.412
  110   HG21  ILE  17          HG21      ILE  17   8.678   4.768   2.637
  111   HG22  ILE  17          HG22      ILE  17   9.658   5.335   4.001
  112   HG23  ILE  17          HG23      ILE  17  10.185   3.933   3.021
  113   HD11  ILE  17          HD11      ILE  17  11.350   2.518   6.428
  114   HD12  ILE  17          HD12      ILE  17  10.751   1.774   4.922
  115   HD13  ILE  17          HD13      ILE  17  11.443   3.427   4.921
  116    H    SER  18           H        SER  18   4.479   4.122   4.628
  117    HA   SER  18           HA       SER  18   4.050   4.427   1.897
  118    HB2  SER  18           HB2      SER  18   3.324   1.977   1.304
  119    HB3  SER  18           HB3      SER  18   5.050   2.302   1.225
  120    HG   SER  18           HG       SER  18   3.768   1.100   3.494
  121    H    PHE  19           H        PHE  19   1.727   4.081   1.270
  122    HA   PHE  19           HA       PHE  19  -0.040   3.159   3.443
  123    HB2  PHE  19           HB2      PHE  19  -0.221   5.977   2.223
  124    HB3  PHE  19           HB3      PHE  19  -1.334   5.320   3.429
  125    HD1  PHE  19           HD2      PHE  19   2.213   6.365   2.761
  126    HD2  PHE  19           HD1      PHE  19  -0.730   5.536   5.790
  127    HE1  PHE  19           HE2      PHE  19   3.778   7.153   4.500
  128    HE2  PHE  19           HE1      PHE  19   0.828   6.359   7.522
  129    HZ   PHE  19           HZ       PHE  19   3.061   7.235   6.874
  130    H    TYR  20           H        TYR  20  -2.509   3.481   2.555
  131    HA   TYR  20           HA       TYR  20  -2.587   1.463   0.549
  132    HB2  TYR  20           HB2      TYR  20  -4.728   3.483   1.457
  133    HB3  TYR  20           HB3      TYR  20  -5.065   2.114   0.381
  134    HD1  TYR  20           HD2      TYR  20  -2.678   1.039   2.942
  135    HD2  TYR  20           HD1      TYR  20  -6.835   1.872   2.223
  136    HE1  TYR  20           HE2      TYR  20  -3.284  -0.518   4.713
  137    HE2  TYR  20           HE1      TYR  20  -7.445   0.315   4.039
  138    HH   TYR  20           HH       TYR  20  -5.050  -1.521   5.953
  139    H    GLY  21           H        GLY  21  -3.983   1.805  -1.663
  140    HA2  GLY  21           HA3      GLY  21  -3.153   4.421  -2.913
  141    HA3  GLY  21           HA2      GLY  21  -2.836   2.850  -3.698
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   2.268  -0.028   0.705
    2    HA2  GLY   1           HA3      GLY   1   2.907  -0.290  -1.511
    3    HA3  GLY   1           HA2      GLY   1   1.362  -1.124  -1.789
    4    H    GLY   2           H        GLY   2   1.695   2.297  -0.540
    5    HA2  GLY   2           HA3      GLY   2   1.472   3.534  -3.104
    6    HA3  GLY   2           HA2      GLY   2  -0.166   3.280  -2.431
    7    H    ALA   3           H        ALA   3  -0.601   5.605  -2.035
    8    HA   ALA   3           HA       ALA   3   0.909   6.676   0.305
    9    HB1  ALA   3           HB1      ALA   3   1.383   8.810  -0.880
   10    HB2  ALA   3           HB2      ALA   3   2.160   7.441  -1.728
   11    HB3  ALA   3           HB3      ALA   3   0.647   8.146  -2.374
   12    H    GLY   4           H        GLY   4  -1.696   5.627   0.394
   13    HA2  GLY   4           HA3      GLY   4  -3.541   7.957   0.203
   14    HA3  GLY   4           HA2      GLY   4  -3.956   6.263   0.518
   15    H    HIS   5           H        HIS   5  -5.083   6.583   2.555
   16    HA   HIS   5           HA       HIS   5  -3.778   8.294   4.590
   17    HB2  HIS   5           HB2      HIS   5  -6.556   7.028   4.344
   18    HB3  HIS   5           HB3      HIS   5  -5.900   7.397   5.947
   19    HD1  HIS   5           HD1      HIS   5  -7.172   9.373   6.593
   20    HD2  HIS   5           HD2      HIS   5  -5.424   9.716   2.782
   21    HE1  HIS   5           HE1      HIS   5  -7.519  11.771   5.905
   22    H    VAL   6           H        VAL   6  -4.612   4.731   4.229
   23    HA   VAL   6           HA       VAL   6  -3.890   4.453   7.075
   24    HB   VAL   6           HB       VAL   6  -5.012   2.455   5.083
   25   HG11  VAL   6          HG11      VAL   6  -3.812   1.316   6.999
   26   HG12  VAL   6          HG12      VAL   6  -4.843   2.221   8.155
   27   HG13  VAL   6          HG13      VAL   6  -5.574   1.043   7.041
   28   HG21  VAL   6          HG21      VAL   6  -6.609   4.333   5.518
   29   HG22  VAL   6          HG22      VAL   6  -7.186   2.827   6.270
   30   HG23  VAL   6          HG23      VAL   6  -6.424   4.093   7.278
   31    HA   PRO   7           HA       PRO   7   0.207   3.151   5.655
   32    HB2  PRO   7           HB2      PRO   7   1.231   1.824   7.857
   33    HB3  PRO   7           HB3      PRO   7   1.034   3.602   7.749
   34    HG2  PRO   7           HG2      PRO   7  -0.930   1.626   8.977
   35    HG3  PRO   7           HG3      PRO   7  -0.256   3.108   9.744
   36    HD2  PRO   7           HD2      PRO   7  -2.704   3.190   8.605
   37    HD3  PRO   7           HD3      PRO   7  -1.572   4.557   8.272
   38    H    GLU   8           H        GLU   8   1.076   1.256   4.513
   39    HA   GLU   8           HA       GLU   8  -0.719  -1.108   4.487
   40    HB2  GLU   8           HB2      GLU   8   1.817  -0.559   2.874
   41    HB3  GLU   8           HB3      GLU   8   0.739  -1.969   2.685
   42    HG2  GLU   8           HG2      GLU   8  -1.153  -0.460   2.114
   43    HG3  GLU   8           HG3      GLU   8  -0.072   0.952   2.222
   44    H    TYR   9           H        TYR   9   2.832  -0.331   5.101
   45    HA   TYR   9           HA       TYR   9   2.965  -2.844   6.748
   46    HB2  TYR   9           HB2      TYR   9   5.025  -1.790   4.712
   47    HB3  TYR   9           HB3      TYR   9   5.145  -3.312   5.627
   48    HD1  TYR   9           HD2      TYR   9   3.172  -5.031   5.356
   49    HD2  TYR   9           HD1      TYR   9   4.043  -1.929   2.504
   50    HE1  TYR   9           HE2      TYR   9   1.876  -6.240   3.629
   51    HE2  TYR   9           HE1      TYR   9   2.717  -3.103   0.804
   52    HH   TYR   9           HH       TYR   9   1.299  -4.972   0.343
   53    H    PHE  10           H        PHE  10   5.150  -2.832   8.029
   54    HA   PHE  10           HA       PHE  10   5.877  -0.034   8.826
   55    HB2  PHE  10           HB2      PHE  10   4.989  -2.375  10.612
   56    HB3  PHE  10           HB3      PHE  10   5.850  -0.959  11.240
   57    HD1  PHE  10           HD1      PHE  10   2.675  -2.057   9.575
   58    HD2  PHE  10           HD2      PHE  10   4.785   1.275  11.297
   59    HE1  PHE  10           HE1      PHE  10   0.529  -0.861   9.903
   60    HE2  PHE  10           HE2      PHE  10   2.630   2.437  11.683
   61    HZ   PHE  10           HZ       PHE  10   0.494   1.290  11.146
   62    H    VAL  11           H        VAL  11   7.893  -0.156  10.311
   63    HA   VAL  11           HA       VAL  11   9.819  -2.036   8.965
   64    HB   VAL  11           HB       VAL  11  11.516  -0.402   9.317
   65   HG11  VAL  11          HG11      VAL  11  10.646   1.674   8.326
   66   HG12  VAL  11          HG12      VAL  11   9.963   0.245   7.496
   67   HG13  VAL  11          HG13      VAL  11   8.964   1.192   8.630
   68   HG21  VAL  11          HG21      VAL  11   9.655   1.005  11.304
   69   HG22  VAL  11          HG22      VAL  11  11.191   0.202  11.686
   70   HG23  VAL  11          HG23      VAL  11  11.198   1.676  10.706
   71    H    ARG  12           H        ARG  12  11.862  -2.120  10.903
   72    HA   ARG  12           HA       ARG  12  10.597  -3.675  13.044
   73    HB2  ARG  12           HB2      ARG  12  13.492  -2.733  12.688
   74    HB3  ARG  12           HB3      ARG  12  12.915  -3.857  13.944
   75    HG2  ARG  12           HG2      ARG  12  12.200  -5.504  12.234
   76    HG3  ARG  12           HG3      ARG  12  12.693  -4.427  10.905
   77    HD2  ARG  12           HD2      ARG  12  14.574  -5.528  13.051
   78    HD3  ARG  12           HD3      ARG  12  14.389  -6.223  11.402
   79    HE   ARG  12           HE       ARG  12  15.013  -3.505  11.004
   80   HH11  ARG  12          HH11      ARG  12  16.601  -6.396  12.462
   81   HH12  ARG  12          HH12      ARG  12  18.207  -5.759  12.134
   82   HH21  ARG  12          HH21      ARG  12  17.106  -2.787  10.626
   83   HH22  ARG  12          HH22      ARG  12  18.493  -3.768  11.103
   84    H    GLY  13           H        GLY  13   9.105  -1.661  13.597
   85    HA2  GLY  13           HA3      GLY  13   8.591  -0.204  15.332
   86    HA3  GLY  13           HA2      GLY  13  10.091  -0.741  16.096
   87    H    ASP  14           H        ASP  14   8.774   1.599  13.603
   88    HA   ASP  14           HA       ASP  14  10.211   3.622  15.001
   89    HB2  ASP  14           HB2      ASP  14  12.011   2.516  13.320
   90    HB3  ASP  14           HB3      ASP  14  11.287   3.621  12.146
   91    H    THR  15           H        THR  15   9.107   3.265  11.514
   92    HA   THR  15           HA       THR  15   6.646   4.642  12.028
   93    HB   THR  15           HB       THR  15   7.630   6.493  10.132
   94    HG1  THR  15           HG1      THR  15   9.844   5.810  10.618
   95   HG21  THR  15          HG21      THR  15   7.574   8.223  11.849
   96   HG22  THR  15          HG22      THR  15   7.606   7.026  13.161
   97   HG23  THR  15          HG23      THR  15   6.191   7.115  12.074
   98    HA   PRO  16           HA       PRO  16   6.309   2.267   8.249
   99    HB2  PRO  16           HB2      PRO  16   3.964   3.179   7.098
  100    HB3  PRO  16           HB3      PRO  16   3.956   2.431   8.727
  101    HG2  PRO  16           HG2      PRO  16   4.172   5.420   8.103
  102    HG3  PRO  16           HG3      PRO  16   2.893   4.646   9.096
  103    HD2  PRO  16           HD2      PRO  16   5.100   5.733  10.305
  104    HD3  PRO  16           HD3      PRO  16   4.513   4.117  10.867
  105    H    ILE  17           H        ILE  17   6.200   2.499   5.719
  106    HA   ILE  17           HA       ILE  17   7.139   5.204   4.825
  107    HB   ILE  17           HB       ILE  17   8.418   2.620   3.823
  108   HG12  ILE  17          HG12      ILE  17   9.464   4.279   6.195
  109   HG13  ILE  17          HG13      ILE  17   8.855   2.604   6.249
  110   HG21  ILE  17          HG21      ILE  17   9.623   5.457   3.934
  111   HG22  ILE  17          HG22      ILE  17  10.135   4.083   2.902
  112   HG23  ILE  17          HG23      ILE  17   8.627   4.938   2.558
  113   HD11  ILE  17          HD11      ILE  17  10.721   1.879   4.700
  114   HD12  ILE  17          HD12      ILE  17  11.410   3.531   4.779
  115   HD13  ILE  17          HD13      ILE  17  11.327   2.545   6.239
  116    H    SER  18           H        SER  18   4.434   4.160   4.613
  117    HA   SER  18           HA       SER  18   3.978   4.480   1.848
  118    HB2  SER  18           HB2      SER  18   3.267   2.046   1.316
  119    HB3  SER  18           HB3      SER  18   5.016   2.294   1.320
  120    HG   SER  18           HG       SER  18   4.439   0.465   2.694
  121    H    PHE  19           H        PHE  19   1.641   4.132   1.258
  122    HA   PHE  19           HA       PHE  19  -0.097   3.207   3.447
  123    HB2  PHE  19           HB2      PHE  19  -0.304   6.037   2.260
  124    HB3  PHE  19           HB3      PHE  19  -1.397   5.355   3.474
  125    HD1  PHE  19           HD2      PHE  19   2.125   6.458   2.767
  126    HD2  PHE  19           HD1      PHE  19  -0.740   5.508   5.832
  127    HE1  PHE  19           HE2      PHE  19   3.713   7.229   4.494
  128    HE2  PHE  19           HE1      PHE  19   0.825   6.341   7.551
  129    HZ   PHE  19           HZ       PHE  19   3.038   7.251   6.882
  130    H    TYR  20           H        TYR  20  -2.578   3.504   2.605
  131    HA   TYR  20           HA       TYR  20  -2.655   1.507   0.593
  132    HB2  TYR  20           HB2      TYR  20  -4.817   3.492   1.507
  133    HB3  TYR  20           HB3      TYR  20  -5.124   2.129   0.406
  134    HD1  TYR  20           HD1      TYR  20  -2.743   1.051   2.966
  135    HD2  TYR  20           HD2      TYR  20  -6.906   1.875   2.265
  136    HE1  TYR  20           HE1      TYR  20  -3.341  -0.551   4.701
  137    HE2  TYR  20           HE2      TYR  20  -7.509   0.284   4.056
  138    HH   TYR  20           HH       TYR  20  -5.099  -1.630   5.881
  139    H    GLY  21           H        GLY  21  -3.920   1.735  -1.628
  140    HA2  GLY  21           HA3      GLY  21  -4.071   4.314  -2.832
  141    HA3  GLY  21           HA2      GLY  21  -2.496   3.597  -3.264
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   2.061  -0.170   0.698
    2    HA2  GLY   1           HA3      GLY   1   2.733  -0.321  -1.514
    3    HA3  GLY   1           HA2      GLY   1   1.179  -1.122  -1.839
    4    H    GLY   2           H        GLY   2   1.154   2.236  -0.478
    5    HA2  GLY   2           HA3      GLY   2   1.199   3.502  -3.101
    6    HA3  GLY   2           HA2      GLY   2  -0.456   3.262  -2.466
    7    H    ALA   3           H        ALA   3  -0.909   5.571  -1.993
    8    HA   ALA   3           HA       ALA   3   0.651   6.634   0.316
    9    HB1  ALA   3           HB1      ALA   3   0.338   8.119  -2.352
   10    HB2  ALA   3           HB2      ALA   3   1.095   8.775  -0.864
   11    HB3  ALA   3           HB3      ALA   3   1.862   7.412  -1.732
   12    H    GLY   4           H        GLY   4  -1.942   5.581   0.454
   13    HA2  GLY   4           HA3      GLY   4  -3.819   7.869   0.238
   14    HA3  GLY   4           HA2      GLY   4  -4.205   6.183   0.605
   15    H    HIS   5           H        HIS   5  -5.225   6.372   2.684
   16    HA   HIS   5           HA       HIS   5  -3.993   8.296   4.610
   17    HB2  HIS   5           HB2      HIS   5  -6.789   7.530   3.936
   18    HB3  HIS   5           HB3      HIS   5  -6.475   7.357   5.667
   19    HD1  HIS   5           HD1      HIS   5  -5.382   9.963   3.115
   20    HD2  HIS   5           HD2      HIS   5  -7.281   9.569   6.846
   21    HE1  HIS   5           HE1      HIS   5  -5.881  12.321   3.881
   22    H    VAL   6           H        VAL   6  -4.407   4.727   4.272
   23    HA   VAL   6           HA       VAL   6  -3.898   4.526   7.222
   24    HB   VAL   6           HB       VAL   6  -5.141   2.566   5.252
   25   HG11  VAL   6          HG11      VAL   6  -4.958   2.391   8.325
   26   HG12  VAL   6          HG12      VAL   6  -5.767   1.225   7.252
   27   HG13  VAL   6          HG13      VAL   6  -3.995   1.406   7.177
   28   HG21  VAL   6          HG21      VAL   6  -6.478   4.321   7.397
   29   HG22  VAL   6          HG22      VAL   6  -6.642   4.515   5.628
   30   HG23  VAL   6          HG23      VAL   6  -7.297   3.064   6.424
   31    HA   PRO   7           HA       PRO   7   0.084   3.097   5.650
   32    HB2  PRO   7           HB2      PRO   7   1.143   1.711   7.808
   33    HB3  PRO   7           HB3      PRO   7   1.022   3.497   7.712
   34    HG2  PRO   7           HG2      PRO   7  -0.965   1.605   9.031
   35    HG3  PRO   7           HG3      PRO   7  -0.215   3.075   9.749
   36    HD2  PRO   7           HD2      PRO   7  -2.708   3.204   8.709
   37    HD3  PRO   7           HD3      PRO   7  -1.557   4.548   8.333
   38    H    GLU   8           H        GLU   8   0.851   1.176   4.464
   39    HA   GLU   8           HA       GLU   8  -1.084  -1.055   4.398
   40    HB2  GLU   8           HB2      GLU   8   1.539  -0.678   2.868
   41    HB3  GLU   8           HB3      GLU   8   0.383  -2.016   2.619
   42    HG2  GLU   8           HG2      GLU   8  -1.400  -0.379   2.024
   43    HG3  GLU   8           HG3      GLU   8  -0.232   0.957   2.188
   44    H    TYR   9           H        TYR   9   2.484  -0.563   5.155
   45    HA   TYR   9           HA       TYR   9   2.273  -2.758   7.134
   46    HB2  TYR   9           HB2      TYR   9   4.218  -3.969   6.028
   47    HB3  TYR   9           HB3      TYR   9   2.758  -3.954   5.025
   48    HD1  TYR   9           HD2      TYR   9   6.071  -2.228   5.555
   49    HD2  TYR   9           HD1      TYR   9   2.811  -2.921   2.831
   50    HE1  TYR   9           HE2      TYR   9   7.339  -1.123   3.743
   51    HE2  TYR   9           HE1      TYR   9   4.070  -1.814   1.032
   52    HH   TYR   9           HH       TYR   9   6.135  -0.791   0.400
   53    H    PHE  10           H        PHE  10   4.552  -3.029   8.251
   54    HA   PHE  10           HA       PHE  10   5.760  -0.281   8.524
   55    HB2  PHE  10           HB2      PHE  10   4.973  -2.322  10.683
   56    HB3  PHE  10           HB3      PHE  10   5.938  -0.865  10.989
   57    HD1  PHE  10           HD1      PHE  10   2.584  -2.023   9.686
   58    HD2  PHE  10           HD2      PHE  10   4.857   1.308  11.195
   59    HE1  PHE  10           HE1      PHE  10   0.491  -0.759  10.062
   60    HE2  PHE  10           HE2      PHE  10   2.745   2.504  11.709
   61    HZ   PHE  10           HZ       PHE  10   0.563   1.408  11.276
   62    H    VAL  11           H        VAL  11   7.955  -0.438   9.683
   63    HA   VAL  11           HA       VAL  11   9.444  -2.761   8.515
   64    HB   VAL  11           HB       VAL  11  11.428  -1.486   8.680
   65   HG11  VAL  11          HG11      VAL  11  11.018   0.563   7.484
   66   HG12  VAL  11          HG12      VAL  11   9.826  -0.638   6.914
   67   HG13  VAL  11          HG13      VAL  11   9.326   0.665   8.034
   68   HG21  VAL  11          HG21      VAL  11  11.379  -0.681  10.998
   69   HG22  VAL  11          HG22      VAL  11  11.600   0.718   9.930
   70   HG23  VAL  11          HG23      VAL  11  10.001   0.381  10.651
   71    H    ARG  12           H        ARG  12  11.415  -3.315  10.196
   72    HA   ARG  12           HA       ARG  12  10.345  -4.398  12.578
   73    HB2  ARG  12           HB2      ARG  12  12.732  -4.438  13.424
   74    HB3  ARG  12           HB3      ARG  12  12.466  -5.257  11.877
   75    HG2  ARG  12           HG2      ARG  12  13.682  -3.698  10.615
   76    HG3  ARG  12           HG3      ARG  12  13.394  -2.347  11.728
   77    HD2  ARG  12           HD2      ARG  12  15.173  -4.763  12.371
   78    HD3  ARG  12           HD3      ARG  12  15.763  -3.215  11.669
   79    HE   ARG  12           HE       ARG  12  14.293  -2.555  14.011
   80   HH11  ARG  12          HH11      ARG  12  17.342  -4.250  13.107
   81   HH12  ARG  12          HH12      ARG  12  18.120  -3.799  14.618
   82   HH21  ARG  12          HH21      ARG  12  15.373  -2.027  15.908
   83   HH22  ARG  12          HH22      ARG  12  17.033  -2.565  16.177
   84    H    GLY  13           H        GLY  13   8.890  -2.532  13.315
   85    HA2  GLY  13           HA3      GLY  13   8.475  -0.935  14.947
   86    HA3  GLY  13           HA2      GLY  13   9.942  -1.580  15.699
   87    H    ASP  14           H        ASP  14   8.801   0.870  13.206
   88    HA   ASP  14           HA       ASP  14  10.449   2.779  14.598
   89    HB2  ASP  14           HB2      ASP  14  12.075   1.471  12.930
   90    HB3  ASP  14           HB3      ASP  14  11.359   2.502  11.686
   91    H    THR  15           H        THR  15   9.024   2.413  11.223
   92    HA   THR  15           HA       THR  15   6.921   4.244  11.778
   93    HB   THR  15           HB       THR  15   8.474   6.089  11.820
   94    HG1  THR  15           HG1      THR  15   7.929   7.157   9.781
   95   HG21  THR  15          HG21      THR  15  10.519   4.893  11.007
   96   HG22  THR  15          HG22      THR  15  10.290   6.424  10.130
   97   HG23  THR  15          HG23      THR  15   9.866   4.878   9.341
   98    HA   PRO  16           HA       PRO  16   6.063   1.996   7.990
   99    HB2  PRO  16           HB2      PRO  16   3.773   3.211   7.019
  100    HB3  PRO  16           HB3      PRO  16   3.778   2.368   8.602
  101    HG2  PRO  16           HG2      PRO  16   4.264   5.354   8.135
  102    HG3  PRO  16           HG3      PRO  16   2.972   4.649   9.162
  103    HD2  PRO  16           HD2      PRO  16   5.327   5.448  10.284
  104    HD3  PRO  16           HD3      PRO  16   4.651   3.858  10.789
  105    H    ILE  17           H        ILE  17   5.963   2.266   5.523
  106    HA   ILE  17           HA       ILE  17   6.954   4.931   4.587
  107    HB   ILE  17           HB       ILE  17   8.221   2.299   3.685
  108   HG12  ILE  17          HG12      ILE  17   9.286   4.138   5.913
  109   HG13  ILE  17          HG13      ILE  17   8.689   2.468   6.114
  110   HG21  ILE  17          HG21      ILE  17   8.388   4.551   2.276
  111   HG22  ILE  17          HG22      ILE  17   9.424   5.138   3.589
  112   HG23  ILE  17          HG23      ILE  17   9.900   3.707   2.625
  113   HD11  ILE  17          HD11      ILE  17  11.208   3.251   4.506
  114   HD12  ILE  17          HD12      ILE  17  11.153   2.496   6.102
  115   HD13  ILE  17          HD13      ILE  17  10.543   1.596   4.680
  116    H    SER  18           H        SER  18   4.274   4.064   4.417
  117    HA   SER  18           HA       SER  18   3.729   4.365   1.717
  118    HB2  SER  18           HB2      SER  18   2.922   1.953   1.141
  119    HB3  SER  18           HB3      SER  18   4.650   2.219   0.990
  120    HG   SER  18           HG       SER  18   3.436   1.028   3.302
  121    H    PHE  19           H        PHE  19   1.369   4.116   1.214
  122    HA   PHE  19           HA       PHE  19  -0.310   3.163   3.453
  123    HB2  PHE  19           HB2      PHE  19  -0.516   6.009   2.293
  124    HB3  PHE  19           HB3      PHE  19  -1.583   5.325   3.531
  125    HD1  PHE  19           HD2      PHE  19   1.948   6.340   2.733
  126    HD2  PHE  19           HD1      PHE  19  -0.893   5.522   5.864
  127    HE1  PHE  19           HE2      PHE  19   3.615   7.021   4.424
  128    HE2  PHE  19           HE1      PHE  19   0.768   6.235   7.552
  129    HZ   PHE  19           HZ       PHE  19   3.008   7.035   6.832
  130    H    TYR  20           H        TYR  20  -2.799   3.468   2.701
  131    HA   TYR  20           HA       TYR  20  -2.983   1.491   0.676
  132    HB2  TYR  20           HB2      TYR  20  -5.068   3.529   1.661
  133    HB3  TYR  20           HB3      TYR  20  -5.454   2.155   0.594
  134    HD1  TYR  20           HD1      TYR  20  -2.999   1.029   3.050
  135    HD2  TYR  20           HD2      TYR  20  -7.164   1.986   2.524
  136    HE1  TYR  20           HE1      TYR  20  -3.571  -0.510   4.852
  137    HE2  TYR  20           HE2      TYR  20  -7.735   0.448   4.371
  138    HH   TYR  20           HH       TYR  20  -5.311  -1.457   6.175
  139    H    GLY  21           H        GLY  21  -4.379   1.787  -1.487
  140    HA2  GLY  21           HA3      GLY  21  -3.012   3.730  -3.131
  141    HA3  GLY  21           HA2      GLY  21  -4.465   2.817  -3.603
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1   2.304  -0.267   0.986
    2    HA2  GLY   1           HA3      GLY   1   3.049  -0.635  -1.182
    3    HA3  GLY   1           HA2      GLY   1   1.555  -1.558  -1.466
    4    H    GLY   2           H        GLY   2   1.504   1.927  -0.398
    5    HA2  GLY   2           HA3      GLY   2   1.417   2.984  -3.091
    6    HA3  GLY   2           HA2      GLY   2  -0.222   2.703  -2.433
    7    H    ALA   3           H        ALA   3  -0.779   5.037  -2.167
    8    HA   ALA   3           HA       ALA   3   0.727   6.352   0.055
    9    HB1  ALA   3           HB1      ALA   3   1.083   8.394  -1.294
   10    HB2  ALA   3           HB2      ALA   3   1.905   6.992  -2.042
   11    HB3  ALA   3           HB3      ALA   3   0.362   7.590  -2.726
   12    H    GLY   4           H        GLY   4  -1.852   5.212   0.260
   13    HA2  GLY   4           HA3      GLY   4  -3.796   7.431  -0.107
   14    HA3  GLY   4           HA2      GLY   4  -4.132   5.756   0.361
   15    H    HIS   5           H        HIS   5  -5.287   6.246   2.349
   16    HA   HIS   5           HA       HIS   5  -4.033   8.174   4.224
   17    HB2  HIS   5           HB2      HIS   5  -6.808   6.930   3.979
   18    HB3  HIS   5           HB3      HIS   5  -6.212   7.285   5.603
   19    HD1  HIS   5           HD1      HIS   5  -7.345   9.339   6.240
   20    HD2  HIS   5           HD2      HIS   5  -5.694   9.527   2.375
   21    HE1  HIS   5           HE1      HIS   5  -7.658  11.725   5.484
   22    H    VAL   6           H        VAL   6  -4.649   4.563   4.114
   23    HA   VAL   6           HA       VAL   6  -3.968   4.537   7.009
   24    HB   VAL   6           HB       VAL   6  -5.075   2.382   5.178
   25   HG11  VAL   6          HG11      VAL   6  -4.920   2.405   8.253
   26   HG12  VAL   6          HG12      VAL   6  -5.645   1.129   7.249
   27   HG13  VAL   6          HG13      VAL   6  -3.887   1.405   7.184
   28   HG21  VAL   6          HG21      VAL   6  -7.265   2.839   6.316
   29   HG22  VAL   6          HG22      VAL   6  -6.517   4.191   7.215
   30   HG23  VAL   6          HG23      VAL   6  -6.697   4.280   5.442
   31    HA   PRO   7           HA       PRO   7   0.108   3.168   5.634
   32    HB2  PRO   7           HB2      PRO   7   1.190   1.994   7.907
   33    HB3  PRO   7           HB3      PRO   7   0.973   3.757   7.681
   34    HG2  PRO   7           HG2      PRO   7  -0.969   1.866   9.081
   35    HG3  PRO   7           HG3      PRO   7  -0.292   3.408   9.717
   36    HD2  PRO   7           HD2      PRO   7  -2.753   3.373   8.628
   37    HD3  PRO   7           HD3      PRO   7  -1.647   4.728   8.172
   38    H    GLU   8           H        GLU   8   1.010   1.180   4.629
   39    HA   GLU   8           HA       GLU   8  -0.835  -1.137   4.696
   40    HB2  GLU   8           HB2      GLU   8   1.791  -0.756   3.178
   41    HB3  GLU   8           HB3      GLU   8   0.692  -2.157   3.027
   42    HG2  GLU   8           HG2      GLU   8  -1.147  -0.652   2.264
   43    HG3  GLU   8           HG3      GLU   8  -0.041   0.744   2.345
   44    H    TYR   9           H        TYR   9   2.719  -0.442   5.436
   45    HA   TYR   9           HA       TYR   9   2.551  -2.477   7.591
   46    HB2  TYR   9           HB2      TYR   9   4.532  -3.724   6.596
   47    HB3  TYR   9           HB3      TYR   9   3.085  -3.809   5.574
   48    HD1  TYR   9           HD2      TYR   9   6.366  -2.004   6.029
   49    HD2  TYR   9           HD1      TYR   9   3.148  -2.917   3.319
   50    HE1  TYR   9           HE2      TYR   9   7.653  -1.028   4.157
   51    HE2  TYR   9           HE1      TYR   9   4.412  -1.904   1.465
   52    HH   TYR   9           HH       TYR   9   6.518  -0.984   0.777
   53    H    PHE  10           H        PHE  10   4.858  -2.592   8.714
   54    HA   PHE  10           HA       PHE  10   5.944   0.213   8.788
   55    HB2  PHE  10           HB2      PHE  10   5.244  -1.692  11.104
   56    HB3  PHE  10           HB3      PHE  10   6.116  -0.163  11.311
   57    HD1  PHE  10           HD1      PHE  10   2.849  -1.589  10.075
   58    HD2  PHE  10           HD2      PHE  10   4.929   1.962  11.350
   59    HE1  PHE  10           HE1      PHE  10   0.693  -0.399  10.303
   60    HE2  PHE  10           HE2      PHE  10   2.753   3.076  11.760
   61    HZ   PHE  10           HZ       PHE  10   0.635   1.864  11.329
   62    H    VAL  11           H        VAL  11   8.123   0.264   9.986
   63    HA   VAL  11           HA       VAL  11   9.763  -1.973   8.868
   64    HB   VAL  11           HB       VAL  11  11.666  -0.561   9.022
   65   HG11  VAL  11          HG11      VAL  11   9.973   0.140   7.258
   66   HG12  VAL  11          HG12      VAL  11   9.417   1.417   8.381
   67   HG13  VAL  11          HG13      VAL  11  11.087   1.437   7.773
   68   HG21  VAL  11          HG21      VAL  11  10.100   1.246  10.943
   69   HG22  VAL  11          HG22      VAL  11  11.524   0.270  11.350
   70   HG23  VAL  11          HG23      VAL  11  11.690   1.626  10.216
   71    H    ARG  12           H        ARG  12  11.852  -2.124  10.770
   72    HA   ARG  12           HA       ARG  12  10.507  -3.546  12.936
   73    HB2  ARG  12           HB2      ARG  12  13.447  -2.763  12.554
   74    HB3  ARG  12           HB3      ARG  12  12.824  -3.829  13.842
   75    HG2  ARG  12           HG2      ARG  12  12.022  -5.483  12.177
   76    HG3  ARG  12           HG3      ARG  12  12.501  -4.424  10.827
   77    HD2  ARG  12           HD2      ARG  12  14.878  -4.543  11.542
   78    HD3  ARG  12           HD3      ARG  12  14.420  -5.664  12.875
   79    HE   ARG  12           HE       ARG  12  13.421  -6.749  10.428
   80   HH11  ARG  12          HH11      ARG  12  16.597  -6.063  11.988
   81   HH12  ARG  12          HH12      ARG  12  17.391  -7.354  11.096
   82   HH21  ARG  12          HH21      ARG  12  14.528  -8.379   9.341
   83   HH22  ARG  12          HH22      ARG  12  16.248  -8.645   9.633
   84    H    GLY  13           H        GLY  13   9.093  -1.558  13.573
   85    HA2  GLY  13           HA3      GLY  13   8.652  -0.089  15.318
   86    HA3  GLY  13           HA2      GLY  13  10.183  -0.620  16.027
   87    H    ASP  14           H        ASP  14   8.809   1.646  13.472
   88    HA   ASP  14           HA       ASP  14  10.329   3.718  14.763
   89    HB2  ASP  14           HB2      ASP  14  12.034   2.535  13.082
   90    HB3  ASP  14           HB3      ASP  14  11.189   3.458  11.829
   91    H    THR  15           H        THR  15   8.889   3.186  11.423
   92    HA   THR  15           HA       THR  15   6.625   4.820  11.979
   93    HB   THR  15           HB       THR  15   7.720   6.512   9.946
   94    HG1  THR  15           HG1      THR  15   9.873   5.647  10.424
   95   HG21  THR  15          HG21      THR  15   7.801   7.178  12.947
   96   HG22  THR  15          HG22      THR  15   6.371   7.347  11.898
   97   HG23  THR  15          HG23      THR  15   7.841   8.305  11.576
   98    HA   PRO  16           HA       PRO  16   5.875   2.476   8.252
   99    HB2  PRO  16           HB2      PRO  16   3.582   3.562   7.181
  100    HB3  PRO  16           HB3      PRO  16   3.578   2.888   8.841
  101    HG2  PRO  16           HG2      PRO  16   4.019   5.817   8.078
  102    HG3  PRO  16           HG3      PRO  16   2.755   5.199   9.184
  103    HD2  PRO  16           HD2      PRO  16   5.176   6.149  10.136
  104    HD3  PRO  16           HD3      PRO  16   4.440   4.688  10.899
  105    H    ILE  17           H        ILE  17   6.173   2.474   5.865
  106    HA   ILE  17           HA       ILE  17   7.145   5.116   4.785
  107    HB   ILE  17           HB       ILE  17   8.108   2.321   4.019
  108   HG12  ILE  17          HG12      ILE  17   8.662   2.491   6.375
  109   HG13  ILE  17          HG13      ILE  17  10.122   2.613   5.390
  110   HG21  ILE  17          HG21      ILE  17   8.755   3.868   2.265
  111   HG22  ILE  17          HG22      ILE  17   9.219   5.131   3.426
  112   HG23  ILE  17          HG23      ILE  17  10.201   3.655   3.245
  113   HD11  ILE  17          HD11      ILE  17   8.788   4.790   7.082
  114   HD12  ILE  17          HD12      ILE  17  10.480   4.265   7.048
  115   HD13  ILE  17          HD13      ILE  17   9.838   5.266   5.723
  116    H    SER  18           H        SER  18   4.290   3.557   4.678
  117    HA   SER  18           HA       SER  18   3.945   4.084   1.835
  118    HB2  SER  18           HB2      SER  18   3.650   1.168   2.832
  119    HB3  SER  18           HB3      SER  18   3.471   1.769   1.153
  120    HG   SER  18           HG       SER  18   5.816   2.169   1.267
  121    H    PHE  19           H        PHE  19   1.569   3.791   1.201
  122    HA   PHE  19           HA       PHE  19  -0.225   3.036   3.428
  123    HB2  PHE  19           HB2      PHE  19  -0.404   5.775   2.045
  124    HB3  PHE  19           HB3      PHE  19  -1.505   5.174   3.297
  125    HD1  PHE  19           HD1      PHE  19   2.030   6.184   2.530
  126    HD2  PHE  19           HD2      PHE  19  -0.896   5.546   5.628
  127    HE1  PHE  19           HE1      PHE  19   3.596   7.111   4.202
  128    HE2  PHE  19           HE2      PHE  19   0.664   6.499   7.293
  129    HZ   PHE  19           HZ       PHE  19   2.883   7.358   6.569
  130    H    TYR  20           H        TYR  20  -2.671   3.246   2.599
  131    HA   TYR  20           HA       TYR  20  -2.761   1.127   0.708
  132    HB2  TYR  20           HB2      TYR  20  -4.923   3.165   1.556
  133    HB3  TYR  20           HB3      TYR  20  -5.266   1.727   0.567
  134    HD1  TYR  20           HD1      TYR  20  -2.797   0.831   3.116
  135    HD2  TYR  20           HD2      TYR  20  -6.990   1.567   2.455
  136    HE1  TYR  20           HE1      TYR  20  -3.340  -0.630   4.989
  137    HE2  TYR  20           HE2      TYR  20  -7.530   0.106   4.372
  138    HH   TYR  20           HH       TYR  20  -5.069  -1.592   6.324
  139    H    GLY  21           H        GLY  21  -4.199   1.295  -1.492
  140    HA2  GLY  21           HA3      GLY  21  -2.761   3.085  -3.238
  141    HA3  GLY  21           HA2      GLY  21  -4.236   2.184  -3.657
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   2.488  -0.365   0.875
    2    HA2  GLY   1           HA3      GLY   1   3.121  -0.389  -1.357
    3    HA3  GLY   1           HA2      GLY   1   1.674  -1.399  -1.596
    4    H    GLY   2           H        GLY   2   1.674   2.094  -0.444
    5    HA2  GLY   2           HA3      GLY   2   1.268   3.212  -3.055
    6    HA3  GLY   2           HA2      GLY   2  -0.309   2.815  -2.306
    7    H    ALA   3           H        ALA   3  -0.917   5.146  -2.033
    8    HA   ALA   3           HA       ALA   3   0.546   6.451   0.219
    9    HB1  ALA   3           HB1      ALA   3   0.825   8.539  -1.090
   10    HB2  ALA   3           HB2      ALA   3   1.697   7.188  -1.874
   11    HB3  ALA   3           HB3      ALA   3   0.129   7.740  -2.536
   12    H    GLY   4           H        GLY   4  -1.971   5.223   0.426
   13    HA2  GLY   4           HA3      GLY   4  -4.003   7.381   0.136
   14    HA3  GLY   4           HA2      GLY   4  -4.272   5.681   0.560
   15    H    HIS   5           H        HIS   5  -5.411   6.101   2.594
   16    HA   HIS   5           HA       HIS   5  -4.163   7.997   4.498
   17    HB2  HIS   5           HB2      HIS   5  -6.877   6.572   4.382
   18    HB3  HIS   5           HB3      HIS   5  -6.229   7.069   5.946
   19    HD1  HIS   5           HD1      HIS   5  -7.728   8.581   2.936
   20    HD2  HIS   5           HD2      HIS   5  -5.680   9.679   6.439
   21    HE1  HIS   5           HE1      HIS   5  -8.132  11.071   3.221
   22    H    VAL   6           H        VAL   6  -4.716   4.366   4.316
   23    HA   VAL   6           HA       VAL   6  -3.945   4.295   7.171
   24    HB   VAL   6           HB       VAL   6  -4.989   2.133   5.310
   25   HG11  VAL   6          HG11      VAL   6  -5.443   0.784   7.356
   26   HG12  VAL   6          HG12      VAL   6  -3.706   1.149   7.267
   27   HG13  VAL   6          HG13      VAL   6  -4.765   2.066   8.380
   28   HG21  VAL   6          HG21      VAL   6  -7.172   2.446   6.512
   29   HG22  VAL   6          HG22      VAL   6  -6.460   3.802   7.433
   30   HG23  VAL   6          HG23      VAL   6  -6.695   3.937   5.671
   31    HA   PRO   7           HA       PRO   7   0.181   3.128   5.724
   32    HB2  PRO   7           HB2      PRO   7   1.316   1.915   7.954
   33    HB3  PRO   7           HB3      PRO   7   1.058   3.673   7.776
   34    HG2  PRO   7           HG2      PRO   7  -0.821   1.704   9.150
   35    HG3  PRO   7           HG3      PRO   7  -0.191   3.252   9.810
   36    HD2  PRO   7           HD2      PRO   7  -2.656   3.162   8.743
   37    HD3  PRO   7           HD3      PRO   7  -1.608   4.559   8.297
   38    H    GLU   8           H        GLU   8   1.152   1.228   4.647
   39    HA   GLU   8           HA       GLU   8  -0.593  -1.159   4.623
   40    HB2  GLU   8           HB2      GLU   8   2.010  -0.597   3.117
   41    HB3  GLU   8           HB3      GLU   8   0.984  -2.044   2.911
   42    HG2  GLU   8           HG2      GLU   8  -0.937  -0.590   2.222
   43    HG3  GLU   8           HG3      GLU   8   0.112   0.840   2.372
   44    H    TYR   9           H        TYR   9   2.927  -0.366   5.382
   45    HA   TYR   9           HA       TYR   9   2.837  -2.472   7.459
   46    HB2  TYR   9           HB2      TYR   9   4.854  -3.624   6.409
   47    HB3  TYR   9           HB3      TYR   9   3.399  -3.733   5.412
   48    HD1  TYR   9           HD2      TYR   9   6.599  -1.785   5.877
   49    HD2  TYR   9           HD1      TYR   9   3.427  -2.810   3.161
   50    HE1  TYR   9           HE2      TYR   9   7.836  -0.725   4.021
   51    HE2  TYR   9           HE1      TYR   9   4.663  -1.765   1.315
   52    HH   TYR   9           HH       TYR   9   6.670  -0.669   0.646
   53    H    PHE  10           H        PHE  10   5.151  -2.557   8.564
   54    HA   PHE  10           HA       PHE  10   6.147   0.269   8.748
   55    HB2  PHE  10           HB2      PHE  10   5.491  -1.754  10.979
   56    HB3  PHE  10           HB3      PHE  10   6.343  -0.231  11.258
   57    HD1  PHE  10           HD1      PHE  10   3.087  -1.660  10.003
   58    HD2  PHE  10           HD2      PHE  10   5.131   1.905  11.275
   59    HE1  PHE  10           HE1      PHE  10   0.915  -0.515  10.301
   60    HE2  PHE  10           HE2      PHE  10   2.947   2.993  11.710
   61    HZ   PHE  10           HZ       PHE  10   0.841   1.735  11.348
   62    H    VAL  11           H        VAL  11   8.317   0.326   9.980
   63    HA   VAL  11           HA       VAL  11  10.040  -1.803   8.772
   64    HB   VAL  11           HB       VAL  11  11.875  -0.300   8.986
   65   HG11  VAL  11          HG11      VAL  11  11.201   1.739   7.859
   66   HG12  VAL  11          HG12      VAL  11  10.257   0.380   7.189
   67   HG13  VAL  11          HG13      VAL  11   9.495   1.540   8.311
   68   HG21  VAL  11          HG21      VAL  11  11.698   0.464  11.333
   69   HG22  VAL  11          HG22      VAL  11  11.771   1.877  10.267
   70   HG23  VAL  11          HG23      VAL  11  10.212   1.355  10.963
   71    H    ARG  12           H        ARG  12  12.149  -1.980  10.628
   72    HA   ARG  12           HA       ARG  12  10.856  -3.307  12.875
   73    HB2  ARG  12           HB2      ARG  12  13.824  -2.601  12.513
   74    HB3  ARG  12           HB3      ARG  12  13.091  -3.662  13.736
   75    HG2  ARG  12           HG2      ARG  12  12.055  -4.808  11.412
   76    HG3  ARG  12           HG3      ARG  12  13.564  -4.172  10.764
   77    HD2  ARG  12           HD2      ARG  12  14.887  -5.403  12.416
   78    HD3  ARG  12           HD3      ARG  12  13.478  -6.000  13.281
   79    HE   ARG  12           HE       ARG  12  14.612  -7.045  10.804
   80   HH11  ARG  12          HH11      ARG  12  11.466  -6.713  12.583
   81   HH12  ARG  12          HH12      ARG  12  10.778  -8.079  11.724
   82   HH21  ARG  12          HH21      ARG  12  13.615  -8.781   9.796
   83   HH22  ARG  12          HH22      ARG  12  11.958  -9.232  10.198
   84    H    GLY  13           H        GLY  13   9.467  -1.349  13.504
   85    HA2  GLY  13           HA3      GLY  13   9.056   0.115  15.258
   86    HA3  GLY  13           HA2      GLY  13  10.615  -0.391  15.915
   87    H    ASP  14           H        ASP  14   9.125   1.844  13.396
   88    HA   ASP  14           HA       ASP  14  10.582   3.954  14.681
   89    HB2  ASP  14           HB2      ASP  14  12.318   2.843  12.971
   90    HB3  ASP  14           HB3      ASP  14  11.460   3.792  11.751
   91    H    THR  15           H        THR  15   9.207   3.429  11.322
   92    HA   THR  15           HA       THR  15   6.835   4.883  11.884
   93    HB   THR  15           HB       THR  15   7.824   6.716   9.930
   94    HG1  THR  15           HG1      THR  15  10.030   5.987  10.403
   95   HG21  THR  15          HG21      THR  15   6.402   7.390  11.882
   96   HG22  THR  15          HG22      THR  15   7.804   8.456  11.613
   97   HG23  THR  15          HG23      THR  15   7.827   7.283  12.943
   98    HA   PRO  16           HA       PRO  16   6.324   2.546   8.120
   99    HB2  PRO  16           HB2      PRO  16   3.948   3.464   7.042
  100    HB3  PRO  16           HB3      PRO  16   3.985   2.790   8.696
  101    HG2  PRO  16           HG2      PRO  16   4.254   5.751   7.955
  102    HG3  PRO  16           HG3      PRO  16   2.996   5.051   9.018
  103    HD2  PRO  16           HD2      PRO  16   5.309   6.120  10.067
  104    HD3  PRO  16           HD3      PRO  16   4.672   4.583  10.760
  105    H    ILE  17           H        ILE  17   6.187   2.682   5.617
  106    HA   ILE  17           HA       ILE  17   6.968   5.373   4.568
  107    HB   ILE  17           HB       ILE  17   8.364   2.804   3.666
  108   HG12  ILE  17          HG12      ILE  17   9.381   4.681   5.867
  109   HG13  ILE  17          HG13      ILE  17   8.898   2.977   6.061
  110   HG21  ILE  17          HG21      ILE  17   8.363   5.063   2.245
  111   HG22  ILE  17          HG22      ILE  17   9.387   5.711   3.537
  112   HG23  ILE  17          HG23      ILE  17   9.933   4.319   2.555
  113   HD11  ILE  17          HD11      ILE  17  10.745   2.250   4.510
  114   HD12  ILE  17          HD12      ILE  17  11.314   3.944   4.403
  115   HD13  ILE  17          HD13      ILE  17  11.357   3.105   5.952
  116    H    SER  18           H        SER  18   4.321   4.242   4.508
  117    HA   SER  18           HA       SER  18   3.748   4.415   1.800
  118    HB2  SER  18           HB2      SER  18   3.061   1.846   1.475
  119    HB3  SER  18           HB3      SER  18   4.712   2.314   1.062
  120    HG   SER  18           HG       SER  18   5.311   1.430   3.187
  121    H    PHE  19           H        PHE  19   1.445   3.935   1.280
  122    HA   PHE  19           HA       PHE  19  -0.212   3.032   3.529
  123    HB2  PHE  19           HB2      PHE  19  -0.572   5.802   2.225
  124    HB3  PHE  19           HB3      PHE  19  -1.614   5.132   3.482
  125    HD1  PHE  19           HD1      PHE  19   1.845   6.354   2.665
  126    HD2  PHE  19           HD2      PHE  19  -0.937   5.450   5.816
  127    HE1  PHE  19           HE1      PHE  19   3.422   7.275   4.324
  128    HE2  PHE  19           HE2      PHE  19   0.632   6.398   7.470
  129    HZ   PHE  19           HZ       PHE  19   2.798   7.355   6.724
  130    H    TYR  20           H        TYR  20  -2.703   3.161   2.736
  131    HA   TYR  20           HA       TYR  20  -2.728   1.108   0.776
  132    HB2  TYR  20           HB2      TYR  20  -4.959   3.022   1.716
  133    HB3  TYR  20           HB3      TYR  20  -5.259   1.602   0.700
  134    HD1  TYR  20           HD2      TYR  20  -2.714   0.702   3.166
  135    HD2  TYR  20           HD1      TYR  20  -6.934   1.354   2.630
  136    HE1  TYR  20           HE2      TYR  20  -3.177  -0.845   4.987
  137    HE2  TYR  20           HE1      TYR  20  -7.395  -0.192   4.496
  138    HH   TYR  20           HH       TYR  20  -4.845  -1.979   6.250
  139    H    GLY  21           H        GLY  21  -4.229   1.301  -1.392
  140    HA2  GLY  21           HA3      GLY  21  -3.877   3.980  -2.648
  141    HA3  GLY  21           HA2      GLY  21  -3.018   2.590  -3.368
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1   2.303  -0.074   0.739
    2    HA2  GLY   1           HA3      GLY   1   2.918  -0.246  -1.494
    3    HA3  GLY   1           HA2      GLY   1   1.458  -1.238  -1.721
    4    H    GLY   2           H        GLY   2   1.491   2.229  -0.518
    5    HA2  GLY   2           HA3      GLY   2   1.044   3.392  -3.108
    6    HA3  GLY   2           HA2      GLY   2  -0.519   2.993  -2.334
    7    H    ALA   3           H        ALA   3  -1.119   5.315  -1.995
    8    HA   ALA   3           HA       ALA   3   0.403   6.572   0.243
    9    HB1  ALA   3           HB1      ALA   3   0.675   8.682  -1.033
   10    HB2  ALA   3           HB2      ALA   3   1.517   7.337  -1.859
   11    HB3  ALA   3           HB3      ALA   3  -0.058   7.916  -2.479
   12    H    GLY   4           H        GLY   4  -2.133   5.362   0.464
   13    HA2  GLY   4           HA3      GLY   4  -4.132   7.557   0.255
   14    HA3  GLY   4           HA2      GLY   4  -4.427   5.852   0.623
   15    H    HIS   5           H        HIS   5  -5.450   6.055   2.714
   16    HA   HIS   5           HA       HIS   5  -4.275   8.006   4.637
   17    HB2  HIS   5           HB2      HIS   5  -7.007   6.707   4.305
   18    HB3  HIS   5           HB3      HIS   5  -6.451   6.966   5.963
   19    HD1  HIS   5           HD1      HIS   5  -6.140   9.172   2.874
   20    HD2  HIS   5           HD2      HIS   5  -7.482   9.182   6.861
   21    HE1  HIS   5           HE1      HIS   5  -6.934  11.539   3.334
   22    H    VAL   6           H        VAL   6  -4.708   4.377   4.373
   23    HA   VAL   6           HA       VAL   6  -3.957   4.270   7.251
   24    HB   VAL   6           HB       VAL   6  -5.059   2.155   5.363
   25   HG11  VAL   6          HG11      VAL   6  -4.785   2.049   8.431
   26   HG12  VAL   6          HG12      VAL   6  -5.508   0.792   7.405
   27   HG13  VAL   6          HG13      VAL   6  -3.764   1.125   7.287
   28   HG21  VAL   6          HG21      VAL   6  -6.727   3.979   5.765
   29   HG22  VAL   6          HG22      VAL   6  -7.221   2.485   6.592
   30   HG23  VAL   6          HG23      VAL   6  -6.479   3.817   7.524
   31    HA   PRO   7           HA       PRO   7   0.119   3.116   5.674
   32    HB2  PRO   7           HB2      PRO   7   1.322   1.879   7.857
   33    HB3  PRO   7           HB3      PRO   7   1.047   3.640   7.714
   34    HG2  PRO   7           HG2      PRO   7  -0.783   1.634   9.105
   35    HG3  PRO   7           HG3      PRO   7  -0.142   3.174   9.775
   36    HD2  PRO   7           HD2      PRO   7  -2.639   3.087   8.770
   37    HD3  PRO   7           HD3      PRO   7  -1.609   4.500   8.329
   38    H    GLU   8           H        GLU   8   1.052   1.236   4.533
   39    HA   GLU   8           HA       GLU   8  -0.687  -1.153   4.545
   40    HB2  GLU   8           HB2      GLU   8   1.878  -0.638   2.962
   41    HB3  GLU   8           HB3      GLU   8   0.788  -2.031   2.771
   42    HG2  GLU   8           HG2      GLU   8  -1.089  -0.500   2.150
   43    HG3  GLU   8           HG3      GLU   8   0.009   0.898   2.280
   44    H    TYR   9           H        TYR   9   2.851  -0.363   5.219
   45    HA   TYR   9           HA       TYR   9   2.816  -2.502   7.267
   46    HB2  TYR   9           HB2      TYR   9   4.818  -3.630   6.159
   47    HB3  TYR   9           HB3      TYR   9   3.335  -3.740   5.200
   48    HD1  TYR   9           HD2      TYR   9   6.544  -1.792   5.581
   49    HD2  TYR   9           HD1      TYR   9   3.269  -2.778   2.971
   50    HE1  TYR   9           HE2      TYR   9   7.729  -0.739   3.698
   51    HE2  TYR   9           HE1      TYR   9   4.445  -1.692   1.091
   52    HH   TYR   9           HH       TYR   9   7.756  -0.399   1.327
   53    H    PHE  10           H        PHE  10   5.136  -2.614   8.333
   54    HA   PHE  10           HA       PHE  10   6.128   0.213   8.571
   55    HB2  PHE  10           HB2      PHE  10   5.509  -1.879  10.746
   56    HB3  PHE  10           HB3      PHE  10   6.366  -0.366  11.062
   57    HD1  PHE  10           HD1      PHE  10   3.092  -1.750   9.818
   58    HD2  PHE  10           HD2      PHE  10   5.171   1.779  11.135
   59    HE1  PHE  10           HE1      PHE  10   0.929  -0.605  10.181
   60    HE2  PHE  10           HE2      PHE  10   2.998   2.860  11.641
   61    HZ   PHE  10           HZ       PHE  10   0.882   1.619  11.285
   62    H    VAL  11           H        VAL  11   8.306   0.205   9.824
   63    HA   VAL  11           HA       VAL  11  10.045  -1.739   8.354
   64    HB   VAL  11           HB       VAL  11  11.820  -0.146   8.598
   65   HG11  VAL  11          HG11      VAL  11  10.167   0.529   6.890
   66   HG12  VAL  11          HG12      VAL  11   9.268   1.497   8.084
   67   HG13  VAL  11          HG13      VAL  11  10.937   1.937   7.676
   68   HG21  VAL  11          HG21      VAL  11  10.142   1.300  10.726
   69   HG22  VAL  11          HG22      VAL  11  11.673   0.463  11.016
   70   HG23  VAL  11          HG23      VAL  11  11.655   1.925  10.021
   71    H    ARG  12           H        ARG  12  12.286  -1.810  10.131
   72    HA   ARG  12           HA       ARG  12  11.273  -3.532  12.237
   73    HB2  ARG  12           HB2      ARG  12  13.572  -3.657  10.998
   74    HB3  ARG  12           HB3      ARG  12  14.069  -2.289  11.998
   75    HG2  ARG  12           HG2      ARG  12  14.869  -4.121  13.270
   76    HG3  ARG  12           HG3      ARG  12  13.277  -3.896  14.038
   77    HD2  ARG  12           HD2      ARG  12  12.364  -5.732  12.511
   78    HD3  ARG  12           HD3      ARG  12  14.010  -5.867  11.793
   79    HE   ARG  12           HE       ARG  12  14.168  -6.212  14.646
   80   HH11  ARG  12          HH11      ARG  12  13.016  -7.924  11.685
   81   HH12  ARG  12          HH12      ARG  12  13.335  -9.501  12.392
   82   HH21  ARG  12          HH21      ARG  12  14.516  -8.282  15.463
   83   HH22  ARG  12          HH22      ARG  12  14.151  -9.707  14.487
   84    H    GLY  13           H        GLY  13   9.673  -1.587  12.983
   85    HA2  GLY  13           HA3      GLY  13   9.169  -0.232  14.801
   86    HA3  GLY  13           HA2      GLY  13  10.725  -0.716  15.483
   87    H    ASP  14           H        ASP  14   9.196   1.625  13.086
   88    HA   ASP  14           HA       ASP  14  10.590   3.677  14.496
   89    HB2  ASP  14           HB2      ASP  14  12.371   2.713  12.734
   90    HB3  ASP  14           HB3      ASP  14  11.551   3.787  11.596
   91    H    THR  15           H        THR  15   9.364   3.471  11.029
   92    HA   THR  15           HA       THR  15   6.888   4.771  11.757
   93    HB   THR  15           HB       THR  15   7.718   6.638   9.828
   94    HG1  THR  15           HG1      THR  15   9.918   7.235  10.459
   95   HG21  THR  15          HG21      THR  15   7.900   8.343  11.585
   96   HG22  THR  15          HG22      THR  15   8.171   7.121  12.843
   97   HG23  THR  15          HG23      THR  15   6.586   7.229  12.030
   98    HA   PRO  16           HA       PRO  16   6.244   2.506   7.983
   99    HB2  PRO  16           HB2      PRO  16   3.861   3.489   6.972
  100    HB3  PRO  16           HB3      PRO  16   3.922   2.764   8.604
  101    HG2  PRO  16           HG2      PRO  16   4.223   5.744   7.947
  102    HG3  PRO  16           HG3      PRO  16   2.974   5.028   9.012
  103    HD2  PRO  16           HD2      PRO  16   5.316   6.032  10.071
  104    HD3  PRO  16           HD3      PRO  16   4.682   4.466  10.701
  105    H    ILE  17           H        ILE  17   6.145   2.682   5.493
  106    HA   ILE  17           HA       ILE  17   6.875   5.414   4.493
  107    HB   ILE  17           HB       ILE  17   8.230   2.874   3.461
  108   HG12  ILE  17          HG12      ILE  17   9.332   4.655   5.704
  109   HG13  ILE  17          HG13      ILE  17   8.840   2.948   5.847
  110   HG21  ILE  17          HG21      ILE  17   9.779   4.415   2.368
  111   HG22  ILE  17          HG22      ILE  17   8.213   5.191   2.133
  112   HG23  ILE  17          HG23      ILE  17   9.281   5.774   3.421
  113   HD11  ILE  17          HD11      ILE  17  11.299   3.053   5.657
  114   HD12  ILE  17          HD12      ILE  17  10.628   2.273   4.201
  115   HD13  ILE  17          HD13      ILE  17  11.212   3.965   4.153
  116    H    SER  18           H        SER  18   4.212   4.103   4.502
  117    HA   SER  18           HA       SER  18   3.713   4.319   1.711
  118    HB2  SER  18           HB2      SER  18   3.039   1.471   2.509
  119    HB3  SER  18           HB3      SER  18   3.577   2.068   0.921
  120    HG   SER  18           HG       SER  18   5.759   1.899   1.843
  121    H    PHE  19           H        PHE  19   1.320   3.961   1.211
  122    HA   PHE  19           HA       PHE  19  -0.321   3.123   3.478
  123    HB2  PHE  19           HB2      PHE  19  -0.707   5.920   2.241
  124    HB3  PHE  19           HB3      PHE  19  -1.732   5.213   3.492
  125    HD1  PHE  19           HD1      PHE  19   1.713   6.463   2.663
  126    HD2  PHE  19           HD2      PHE  19  -1.023   5.466   5.829
  127    HE1  PHE  19           HE1      PHE  19   3.319   7.330   4.327
  128    HE2  PHE  19           HE2      PHE  19   0.578   6.355   7.487
  129    HZ   PHE  19           HZ       PHE  19   2.735   7.331   6.737
  130    H    TYR  20           H        TYR  20  -2.821   3.228   2.749
  131    HA   TYR  20           HA       TYR  20  -2.846   1.202   0.761
  132    HB2  TYR  20           HB2      TYR  20  -5.110   3.044   1.745
  133    HB3  TYR  20           HB3      TYR  20  -5.373   1.624   0.716
  134    HD1  TYR  20           HD2      TYR  20  -2.797   0.778   3.160
  135    HD2  TYR  20           HD1      TYR  20  -7.034   1.327   2.671
  136    HE1  TYR  20           HE2      TYR  20  -3.201  -0.770   4.994
  137    HE2  TYR  20           HE1      TYR  20  -7.436  -0.212   4.556
  138    HH   TYR  20           HH       TYR  20  -4.826  -1.836   6.372
  139    H    GLY  21           H        GLY  21  -4.299   1.368  -1.407
  140    HA2  GLY  21           HA3      GLY  21  -4.783   3.843  -2.576
  141    HA3  GLY  21           HA2      GLY  21  -3.099   3.468  -3.024
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1   2.285  -0.048   0.738
    2    HA2  GLY   1           HA3      GLY   1   2.947  -0.299  -1.471
    3    HA3  GLY   1           HA2      GLY   1   1.388  -1.096  -1.780
    4    H    GLY   2           H        GLY   2   1.746   2.301  -0.478
    5    HA2  GLY   2           HA3      GLY   2   1.617   3.574  -3.032
    6    HA3  GLY   2           HA2      GLY   2  -0.040   3.330  -2.405
    7    H    ALA   3           H        ALA   3  -0.484   5.640  -1.999
    8    HA   ALA   3           HA       ALA   3   0.974   6.690   0.383
    9    HB1  ALA   3           HB1      ALA   3   2.236   7.495  -1.635
   10    HB2  ALA   3           HB2      ALA   3   0.723   8.188  -2.289
   11    HB3  ALA   3           HB3      ALA   3   1.432   8.843  -0.780
   12    H    GLY   4           H        GLY   4  -1.624   5.600   0.396
   13    HA2  GLY   4           HA3      GLY   4  -3.506   7.885   0.181
   14    HA3  GLY   4           HA2      GLY   4  -3.885   6.189   0.516
   15    H    HIS   5           H        HIS   5  -5.024   6.472   2.531
   16    HA   HIS   5           HA       HIS   5  -3.804   8.284   4.554
   17    HB2  HIS   5           HB2      HIS   5  -6.598   7.236   4.040
   18    HB3  HIS   5           HB3      HIS   5  -6.124   7.339   5.740
   19    HD1  HIS   5           HD1      HIS   5  -5.420   9.709   2.844
   20    HD2  HIS   5           HD2      HIS   5  -7.080   9.566   6.705
   21    HE1  HIS   5           HE1      HIS   5  -6.062  12.092   3.403
   22    H    VAL   6           H        VAL   6  -4.504   4.712   4.185
   23    HA   VAL   6           HA       VAL   6  -3.904   4.455   7.084
   24    HB   VAL   6           HB       VAL   6  -5.006   2.471   5.064
   25   HG11  VAL   6          HG11      VAL   6  -4.905   2.232   8.131
   26   HG12  VAL   6          HG12      VAL   6  -5.627   1.061   7.003
   27   HG13  VAL   6          HG13      VAL   6  -3.864   1.317   6.995
   28   HG21  VAL   6          HG21      VAL   6  -6.592   4.369   5.457
   29   HG22  VAL   6          HG22      VAL   6  -7.207   2.870   6.191
   30   HG23  VAL   6          HG23      VAL   6  -6.458   4.125   7.220
   31    HA   PRO   7           HA       PRO   7   0.186   3.128   5.682
   32    HB2  PRO   7           HB2      PRO   7   1.197   1.777   7.885
   33    HB3  PRO   7           HB3      PRO   7   1.013   3.556   7.786
   34    HG2  PRO   7           HG2      PRO   7  -0.978   1.593   8.994
   35    HG3  PRO   7           HG3      PRO   7  -0.297   3.069   9.769
   36    HD2  PRO   7           HD2      PRO   7  -2.737   3.161   8.614
   37    HD3  PRO   7           HD3      PRO   7  -1.599   4.529   8.299
   38    H    GLU   8           H        GLU   8   1.058   1.231   4.539
   39    HA   GLU   8           HA       GLU   8  -0.762  -1.112   4.471
   40    HB2  GLU   8           HB2      GLU   8   1.801  -0.570   2.898
   41    HB3  GLU   8           HB3      GLU   8   0.724  -1.977   2.679
   42    HG2  GLU   8           HG2      GLU   8  -1.158  -0.453   2.089
   43    HG3  GLU   8           HG3      GLU   8  -0.072   0.951   2.234
   44    H    TYR   9           H        TYR   9   2.793  -0.393   5.118
   45    HA   TYR   9           HA       TYR   9   2.874  -2.917   6.754
   46    HB2  TYR   9           HB2      TYR   9   4.986  -1.850   4.784
   47    HB3  TYR   9           HB3      TYR   9   5.077  -3.376   5.688
   48    HD1  TYR   9           HD2      TYR   9   3.137  -5.106   5.329
   49    HD2  TYR   9           HD1      TYR   9   4.007  -1.926   2.568
   50    HE1  TYR   9           HE2      TYR   9   1.968  -6.334   3.544
   51    HE2  TYR   9           HE1      TYR   9   2.777  -3.120   0.799
   52    HH   TYR   9           HH       TYR   9   1.369  -6.372   1.232
   53    H    PHE  10           H        PHE  10   5.035  -2.906   8.085
   54    HA   PHE  10           HA       PHE  10   5.748  -0.111   8.913
   55    HB2  PHE  10           HB2      PHE  10   4.819  -2.470  10.658
   56    HB3  PHE  10           HB3      PHE  10   5.698  -1.080  11.313
   57    HD1  PHE  10           HD1      PHE  10   2.523  -2.092   9.593
   58    HD2  PHE  10           HD2      PHE  10   4.665   1.171  11.399
   59    HE1  PHE  10           HE1      PHE  10   0.393  -0.868   9.920
   60    HE2  PHE  10           HE2      PHE  10   2.525   2.360  11.783
   61    HZ   PHE  10           HZ       PHE  10   0.378   1.256  11.209
   62    H    VAL  11           H        VAL  11   7.735  -0.263  10.446
   63    HA   VAL  11           HA       VAL  11   9.693  -2.071   9.049
   64    HB   VAL  11           HB       VAL  11  11.347  -0.385   9.397
   65   HG11  VAL  11          HG11      VAL  11   8.736   1.120   8.753
   66   HG12  VAL  11          HG12      VAL  11  10.391   1.680   8.448
   67   HG13  VAL  11          HG13      VAL  11   9.770   0.230   7.606
   68   HG21  VAL  11          HG21      VAL  11  10.934   1.682  10.817
   69   HG22  VAL  11          HG22      VAL  11   9.465   0.888  11.455
   70   HG23  VAL  11          HG23      VAL  11  11.064   0.205  11.780
   71    H    ARG  12           H        ARG  12  11.750  -2.013  11.035
   72    HA   ARG  12           HA       ARG  12  10.571  -3.746  13.091
   73    HB2  ARG  12           HB2      ARG  12  13.386  -2.581  12.792
   74    HB3  ARG  12           HB3      ARG  12  12.918  -3.836  13.960
   75    HG2  ARG  12           HG2      ARG  12  12.414  -5.454  12.217
   76    HG3  ARG  12           HG3      ARG  12  12.549  -4.258  10.912
   77    HD2  ARG  12           HD2      ARG  12  14.869  -5.090  12.720
   78    HD3  ARG  12           HD3      ARG  12  14.552  -5.747  11.076
   79    HE   ARG  12           HE       ARG  12  14.656  -2.927  10.804
   80   HH11  ARG  12          HH11      ARG  12  16.873  -5.637  11.653
   81   HH12  ARG  12          HH12      ARG  12  18.280  -4.756  11.071
   82   HH21  ARG  12          HH21      ARG  12  16.515  -1.880  10.099
   83   HH22  ARG  12          HH22      ARG  12  18.087  -2.677  10.202
   84    H    GLY  13           H        GLY  13   8.952  -1.763  13.624
   85    HA2  GLY  13           HA3      GLY  13   8.310  -0.363  15.360
   86    HA3  GLY  13           HA2      GLY  13   9.763  -0.912  16.203
   87    H    ASP  14           H        ASP  14   8.576   1.524  13.731
   88    HA   ASP  14           HA       ASP  14   9.972   3.503  15.229
   89    HB2  ASP  14           HB2      ASP  14  11.843   2.351  13.648
   90    HB3  ASP  14           HB3      ASP  14  11.202   3.451  12.426
   91    H    THR  15           H        THR  15   8.996   3.119  11.700
   92    HA   THR  15           HA       THR  15   6.634   4.686  12.099
   93    HB   THR  15           HB       THR  15   7.996   6.661  12.217
   94    HG1  THR  15           HG1      THR  15   7.456   7.653  10.128
   95   HG21  THR  15          HG21      THR  15   9.855   7.169  10.631
   96   HG22  THR  15          HG22      THR  15   9.648   5.581   9.842
   97   HG23  THR  15          HG23      THR  15  10.199   5.680  11.543
   98    HA   PRO  16           HA       PRO  16   6.271   2.222   8.357
   99    HB2  PRO  16           HB2      PRO  16   3.923   3.163   7.202
  100    HB3  PRO  16           HB3      PRO  16   3.920   2.361   8.804
  101    HG2  PRO  16           HG2      PRO  16   4.117   5.370   8.287
  102    HG3  PRO  16           HG3      PRO  16   2.845   4.551   9.250
  103    HD2  PRO  16           HD2      PRO  16   5.006   5.609  10.516
  104    HD3  PRO  16           HD3      PRO  16   4.482   3.948  10.989
  105    H    ILE  17           H        ILE  17   6.166   2.469   5.825
  106    HA   ILE  17           HA       ILE  17   7.128   5.171   4.944
  107    HB   ILE  17           HB       ILE  17   8.405   2.586   3.948
  108   HG12  ILE  17          HG12      ILE  17   9.432   4.224   6.348
  109   HG13  ILE  17          HG13      ILE  17   8.809   2.554   6.387
  110   HG21  ILE  17          HG21      ILE  17  10.140   4.038   3.067
  111   HG22  ILE  17          HG22      ILE  17   8.647   4.903   2.702
  112   HG23  ILE  17          HG23      ILE  17   9.622   5.411   4.092
  113   HD11  ILE  17          HD11      ILE  17  11.275   2.475   6.411
  114   HD12  ILE  17          HD12      ILE  17  10.685   1.822   4.861
  115   HD13  ILE  17          HD13      ILE  17  11.389   3.467   4.958
  116    H    SER  18           H        SER  18   4.413   4.118   4.700
  117    HA   SER  18           HA       SER  18   4.002   4.443   1.923
  118    HB2  SER  18           HB2      SER  18   3.298   2.005   1.388
  119    HB3  SER  18           HB3      SER  18   5.047   2.259   1.436
  120    HG   SER  18           HG       SER  18   4.430   0.435   2.805
  121    H    PHE  19           H        PHE  19   1.671   4.112   1.311
  122    HA   PHE  19           HA       PHE  19  -0.102   3.189   3.469
  123    HB2  PHE  19           HB2      PHE  19  -0.284   6.024   2.296
  124    HB3  PHE  19           HB3      PHE  19  -1.390   5.348   3.498
  125    HD1  PHE  19           HD1      PHE  19   2.147   6.423   2.832
  126    HD2  PHE  19           HD2      PHE  19  -0.772   5.519   5.862
  127    HE1  PHE  19           HE1      PHE  19   3.730   7.157   4.578
  128    HE2  PHE  19           HE2      PHE  19   0.801   6.295   7.603
  129    HZ   PHE  19           HZ       PHE  19   3.039   7.163   6.961
  130    H    TYR  20           H        TYR  20  -2.562   3.508   2.622
  131    HA   TYR  20           HA       TYR  20  -2.680   1.536   0.593
  132    HB2  TYR  20           HB2      TYR  20  -4.785   3.566   1.561
  133    HB3  TYR  20           HB3      TYR  20  -5.162   2.242   0.445
  134    HD1  TYR  20           HD2      TYR  20  -2.766   1.051   2.959
  135    HD2  TYR  20           HD1      TYR  20  -6.915   1.965   2.289
  136    HE1  TYR  20           HE2      TYR  20  -3.389  -0.583   4.653
  137    HE2  TYR  20           HE1      TYR  20  -7.542   0.338   4.036
  138    HH   TYR  20           HH       TYR  20  -5.165  -1.707   5.762
  139    H    GLY  21           H        GLY  21  -4.071   1.837  -1.584
  140    HA2  GLY  21           HA3      GLY  21  -4.506   3.111  -3.522
  141    HA3  GLY  21           HA2      GLY  21  -3.693   4.509  -2.789
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1   2.126   0.143   0.556
    2    HA2  GLY   1           HA3      GLY   1   2.723  -0.009  -1.686
    3    HA3  GLY   1           HA2      GLY   1   1.204  -0.891  -1.954
    4    H    GLY   2           H        GLY   2   1.491   2.511  -0.612
    5    HA2  GLY   2           HA3      GLY   2   1.185   3.822  -3.134
    6    HA3  GLY   2           HA2      GLY   2  -0.431   3.512  -2.428
    7    H    ALA   3           H        ALA   3  -0.894   5.823  -1.948
    8    HA   ALA   3           HA       ALA   3   0.667   6.843   0.385
    9    HB1  ALA   3           HB1      ALA   3   1.827   7.702  -1.652
   10    HB2  ALA   3           HB2      ALA   3   0.283   8.395  -2.235
   11    HB3  ALA   3           HB3      ALA   3   1.045   9.026  -0.739
   12    H    GLY   4           H        GLY   4  -1.916   5.725   0.508
   13    HA2  GLY   4           HA3      GLY   4  -3.827   8.004   0.453
   14    HA3  GLY   4           HA2      GLY   4  -4.181   6.291   0.744
   15    H    HIS   5           H        HIS   5  -5.297   6.643   2.803
   16    HA   HIS   5           HA       HIS   5  -3.919   8.268   4.854
   17    HB2  HIS   5           HB2      HIS   5  -6.665   6.911   4.715
   18    HB3  HIS   5           HB3      HIS   5  -5.957   7.336   6.281
   19    HD1  HIS   5           HD1      HIS   5  -6.861   9.097   3.052
   20    HD2  HIS   5           HD2      HIS   5  -6.087   9.794   7.125
   21    HE1  HIS   5           HE1      HIS   5  -7.437  11.533   3.455
   22    H    VAL   6           H        VAL   6  -4.729   4.707   4.387
   23    HA   VAL   6           HA       VAL   6  -3.910   4.336   7.197
   24    HB   VAL   6           HB       VAL   6  -5.067   2.389   5.170
   25   HG11  VAL   6          HG11      VAL   6  -3.807   1.193   7.010
   26   HG12  VAL   6          HG12      VAL   6  -4.812   2.050   8.221
   27   HG13  VAL   6          HG13      VAL   6  -5.561   0.898   7.094
   28   HG21  VAL   6          HG21      VAL   6  -6.682   4.231   5.718
   29   HG22  VAL   6          HG22      VAL   6  -7.212   2.691   6.431
   30   HG23  VAL   6          HG23      VAL   6  -6.436   3.931   7.460
   31    HA   PRO   7           HA       PRO   7   0.156   3.103   5.625
   32    HB2  PRO   7           HB2      PRO   7   1.258   1.731   7.765
   33    HB3  PRO   7           HB3      PRO   7   1.032   3.506   7.712
   34    HG2  PRO   7           HG2      PRO   7  -0.887   1.476   8.934
   35    HG3  PRO   7           HG3      PRO   7  -0.201   2.942   9.725
   36    HD2  PRO   7           HD2      PRO   7  -2.676   3.025   8.663
   37    HD3  PRO   7           HD3      PRO   7  -1.573   4.417   8.332
   38    H    GLU   8           H        GLU   8   1.000   1.253   4.402
   39    HA   GLU   8           HA       GLU   8  -0.759  -1.137   4.367
   40    HB2  GLU   8           HB2      GLU   8   1.739  -0.494   2.725
   41    HB3  GLU   8           HB3      GLU   8   0.676  -1.913   2.498
   42    HG2  GLU   8           HG2      GLU   8  -1.245  -0.423   2.004
   43    HG3  GLU   8           HG3      GLU   8  -0.197   1.010   2.153
   44    H    TYR   9           H        TYR   9   2.766  -0.275   5.015
   45    HA   TYR   9           HA       TYR   9   3.003  -2.871   6.504
   46    HB2  TYR   9           HB2      TYR   9   5.027  -1.638   4.526
   47    HB3  TYR   9           HB3      TYR   9   5.167  -3.228   5.313
   48    HD1  TYR   9           HD2      TYR   9   3.164  -4.908   4.915
   49    HD2  TYR   9           HD1      TYR   9   4.072  -1.602   2.310
   50    HE1  TYR   9           HE2      TYR   9   1.909  -6.000   3.098
   51    HE2  TYR   9           HE1      TYR   9   2.809  -2.695   0.491
   52    HH   TYR   9           HH       TYR   9   1.135  -5.828   0.841
   53    H    PHE  10           H        PHE  10   5.256  -2.832   7.716
   54    HA   PHE  10           HA       PHE  10   5.919  -0.047   8.601
   55    HB2  PHE  10           HB2      PHE  10   5.141  -2.473  10.333
   56    HB3  PHE  10           HB3      PHE  10   5.977  -1.058  10.995
   57    HD1  PHE  10           HD1      PHE  10   2.788  -2.169   9.372
   58    HD2  PHE  10           HD2      PHE  10   4.870   1.141  11.169
   59    HE1  PHE  10           HE1      PHE  10   0.628  -1.019   9.771
   60    HE2  PHE  10           HE2      PHE  10   2.703   2.252  11.628
   61    HZ   PHE  10           HZ       PHE  10   0.577   1.092  11.079
   62    H    VAL  11           H        VAL  11   7.979  -0.154  10.021
   63    HA   VAL  11           HA       VAL  11   9.920  -1.907   8.528
   64    HB   VAL  11           HB       VAL  11  11.574  -0.228   8.907
   65   HG11  VAL  11          HG11      VAL  11   8.943   1.288   8.375
   66   HG12  VAL  11          HG12      VAL  11  10.586   1.869   8.045
   67   HG13  VAL  11          HG13      VAL  11   9.952   0.441   7.173
   68   HG21  VAL  11          HG21      VAL  11  11.188   1.776  10.401
   69   HG22  VAL  11          HG22      VAL  11   9.731   0.964  11.049
   70   HG23  VAL  11          HG23      VAL  11  11.337   0.258  11.302
   71    H    ARG  12           H        ARG  12  12.041  -1.961  10.455
   72    HA   ARG  12           HA       ARG  12  10.836  -3.729  12.445
   73    HB2  ARG  12           HB2      ARG  12  13.124  -4.000  11.267
   74    HB3  ARG  12           HB3      ARG  12  13.758  -2.780  12.396
   75    HG2  ARG  12           HG2      ARG  12  12.923  -4.327  14.322
   76    HG3  ARG  12           HG3      ARG  12  12.415  -5.475  13.062
   77    HD2  ARG  12           HD2      ARG  12  14.492  -6.349  13.680
   78    HD3  ARG  12           HD3      ARG  12  14.903  -5.390  12.218
   79    HE   ARG  12           HE       ARG  12  15.253  -3.783  14.594
   80   HH11  ARG  12          HH11      ARG  12  16.732  -6.621  12.924
   81   HH12  ARG  12          HH12      ARG  12  18.287  -6.348  13.696
   82   HH21  ARG  12          HH21      ARG  12  17.280  -3.543  15.547
   83   HH22  ARG  12          HH22      ARG  12  18.598  -4.647  15.146
   84    H    GLY  13           H        GLY  13   9.341  -1.704  13.116
   85    HA2  GLY  13           HA3      GLY  13   8.792  -0.449  14.986
   86    HA3  GLY  13           HA2      GLY  13  10.314  -0.977  15.708
   87    H    ASP  14           H        ASP  14   8.891   1.473  13.364
   88    HA   ASP  14           HA       ASP  14  10.273   3.469  14.833
   89    HB2  ASP  14           HB2      ASP  14  12.125   2.442  13.124
   90    HB3  ASP  14           HB3      ASP  14  11.395   3.587  11.999
   91    H    THR  15           H        THR  15   9.190   3.182  11.325
   92    HA   THR  15           HA       THR  15   6.776   4.612  11.875
   93    HB   THR  15           HB       THR  15   8.087   6.637  12.046
   94    HG1  THR  15           HG1      THR  15   7.394   7.719  10.048
   95   HG21  THR  15          HG21      THR  15   9.638   5.772   9.518
   96   HG22  THR  15          HG22      THR  15  10.283   5.776  11.188
   97   HG23  THR  15          HG23      THR  15   9.851   7.309  10.396
   98    HA   PRO  16           HA       PRO  16   6.381   2.292   8.066
   99    HB2  PRO  16           HB2      PRO  16   3.953   3.169   7.022
  100    HB3  PRO  16           HB3      PRO  16   4.036   2.324   8.599
  101    HG2  PRO  16           HG2      PRO  16   4.102   5.354   8.179
  102    HG3  PRO  16           HG3      PRO  16   2.898   4.451   9.156
  103    HD2  PRO  16           HD2      PRO  16   5.061   5.552  10.381
  104    HD3  PRO  16           HD3      PRO  16   4.628   3.855  10.815
  105    H    ILE  17           H        ILE  17   6.166   2.581   5.556
  106    HA   ILE  17           HA       ILE  17   6.993   5.331   4.702
  107    HB   ILE  17           HB       ILE  17   8.353   2.815   3.632
  108   HG12  ILE  17          HG12      ILE  17   9.376   4.468   6.009
  109   HG13  ILE  17          HG13      ILE  17   8.836   2.769   6.046
  110   HG21  ILE  17          HG21      ILE  17   8.452   5.164   2.401
  111   HG22  ILE  17          HG22      ILE  17   9.446   5.697   3.769
  112   HG23  ILE  17          HG23      ILE  17   9.998   4.368   2.705
  113   HD11  ILE  17          HD11      ILE  17  11.296   2.792   5.990
  114   HD12  ILE  17          HD12      ILE  17  10.691   2.138   4.446
  115   HD13  ILE  17          HD13      ILE  17  11.325   3.811   4.550
  116    H    SER  18           H        SER  18   4.327   4.234   4.505
  117    HA   SER  18           HA       SER  18   3.808   4.649   1.790
  118    HB2  SER  18           HB2      SER  18   3.141   2.196   1.142
  119    HB3  SER  18           HB3      SER  18   4.860   2.560   1.050
  120    HG   SER  18           HG       SER  18   3.639   1.269   3.300
  121    H    PHE  19           H        PHE  19   1.470   4.261   1.230
  122    HA   PHE  19           HA       PHE  19  -0.203   3.221   3.427
  123    HB2  PHE  19           HB2      PHE  19  -0.466   6.085   2.341
  124    HB3  PHE  19           HB3      PHE  19  -1.515   5.356   3.569
  125    HD1  PHE  19           HD1      PHE  19   1.965   6.527   2.795
  126    HD2  PHE  19           HD2      PHE  19  -0.803   5.439   5.906
  127    HE1  PHE  19           HE1      PHE  19   3.592   7.259   4.503
  128    HE2  PHE  19           HE2      PHE  19   0.801   6.230   7.609
  129    HZ   PHE  19           HZ       PHE  19   2.988   7.182   6.910
  130    H    TYR  20           H        TYR  20  -2.704   3.537   2.667
  131    HA   TYR  20           HA       TYR  20  -2.830   1.609   0.582
  132    HB2  TYR  20           HB2      TYR  20  -4.975   3.525   1.692
  133    HB3  TYR  20           HB3      TYR  20  -5.336   2.209   0.559
  134    HD1  TYR  20           HD2      TYR  20  -2.804   1.080   2.957
  135    HD2  TYR  20           HD1      TYR  20  -7.014   1.788   2.429
  136    HE1  TYR  20           HE2      TYR  20  -3.289  -0.587   4.664
  137    HE2  TYR  20           HE1      TYR  20  -7.498   0.121   4.183
  138    HH   TYR  20           HH       TYR  20  -4.974  -1.709   5.923
  139    H    GLY  21           H        GLY  21  -4.304   1.962  -1.537
  140    HA2  GLY  21           HA3      GLY  21  -5.028   3.618  -3.153
  141    HA3  GLY  21           HA2      GLY  21  -3.639   4.645  -2.752
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1   2.314  -0.071   0.748
    2    HA2  GLY   1           HA3      GLY   1   2.970  -0.379  -1.456
    3    HA3  GLY   1           HA2      GLY   1   1.400  -1.147  -1.763
    4    H    GLY   2           H        GLY   2   1.706   2.260  -0.449
    5    HA2  GLY   2           HA3      GLY   2   1.752   3.536  -3.006
    6    HA3  GLY   2           HA2      GLY   2   0.058   3.277  -2.504
    7    H    ALA   3           H        ALA   3  -0.497   5.546  -2.026
    8    HA   ALA   3           HA       ALA   3   0.922   6.654   0.360
    9    HB1  ALA   3           HB1      ALA   3   0.622   8.122  -2.322
   10    HB2  ALA   3           HB2      ALA   3   1.302   8.811  -0.813
   11    HB3  ALA   3           HB3      ALA   3   2.154   7.482  -1.655
   12    H    GLY   4           H        GLY   4  -1.644   5.477   0.363
   13    HA2  GLY   4           HA3      GLY   4  -3.608   7.682   0.100
   14    HA3  GLY   4           HA2      GLY   4  -3.929   5.979   0.457
   15    H    HIS   5           H        HIS   5  -5.084   6.222   2.468
   16    HA   HIS   5           HA       HIS   5  -4.005   8.183   4.433
   17    HB2  HIS   5           HB2      HIS   5  -6.732   7.182   3.748
   18    HB3  HIS   5           HB3      HIS   5  -6.421   7.053   5.479
   19    HD1  HIS   5           HD1      HIS   5  -5.941   9.231   6.752
   20    HD2  HIS   5           HD2      HIS   5  -6.897   9.704   2.683
   21    HE1  HIS   5           HE1      HIS   5  -6.498  11.683   6.459
   22    H    VAL   6           H        VAL   6  -4.443   4.572   4.145
   23    HA   VAL   6           HA       VAL   6  -3.897   4.424   7.077
   24    HB   VAL   6           HB       VAL   6  -4.970   2.378   5.095
   25   HG11  VAL   6          HG11      VAL   6  -3.810   1.273   7.053
   26   HG12  VAL   6          HG12      VAL   6  -4.867   2.196   8.165
   27   HG13  VAL   6          HG13      VAL   6  -5.566   0.986   7.066
   28   HG21  VAL   6          HG21      VAL   6  -6.596   4.246   5.440
   29   HG22  VAL   6          HG22      VAL   6  -7.183   2.755   6.212
   30   HG23  VAL   6          HG23      VAL   6  -6.453   4.047   7.209
   31    HA   PRO   7           HA       PRO   7   0.202   3.128   5.668
   32    HB2  PRO   7           HB2      PRO   7   1.251   1.822   7.880
   33    HB3  PRO   7           HB3      PRO   7   1.035   3.594   7.757
   34    HG2  PRO   7           HG2      PRO   7  -0.925   1.621   9.009
   35    HG3  PRO   7           HG3      PRO   7  -0.255   3.114   9.759
   36    HD2  PRO   7           HD2      PRO   7  -2.703   3.159   8.627
   37    HD3  PRO   7           HD3      PRO   7  -1.593   4.537   8.273
   38    H    GLU   8           H        GLU   8   1.102   1.229   4.542
   39    HA   GLU   8           HA       GLU   8  -0.680  -1.145   4.521
   40    HB2  GLU   8           HB2      GLU   8   1.861  -0.550   2.929
   41    HB3  GLU   8           HB3      GLU   8   0.832  -1.995   2.726
   42    HG2  GLU   8           HG2      GLU   8  -1.100  -0.557   2.107
   43    HG3  GLU   8           HG3      GLU   8  -0.078   0.894   2.260
   44    H    TYR   9           H        TYR   9   2.877  -0.342   5.119
   45    HA   TYR   9           HA       TYR   9   3.013  -2.845   6.781
   46    HB2  TYR   9           HB2      TYR   9   5.113  -1.736   4.815
   47    HB3  TYR   9           HB3      TYR   9   5.233  -3.262   5.713
   48    HD1  TYR   9           HD2      TYR   9   3.359  -5.044   5.315
   49    HD2  TYR   9           HD1      TYR   9   4.094  -1.784   2.613
   50    HE1  TYR   9           HE2      TYR   9   2.247  -6.292   3.505
   51    HE2  TYR   9           HE1      TYR   9   2.928  -3.002   0.818
   52    HH   TYR   9           HH       TYR   9   1.688  -6.327   1.173
   53    H    PHE  10           H        PHE  10   5.188  -2.763   8.103
   54    HA   PHE  10           HA       PHE  10   5.846   0.053   8.877
   55    HB2  PHE  10           HB2      PHE  10   4.988  -2.290  10.685
   56    HB3  PHE  10           HB3      PHE  10   5.829  -0.869  11.316
   57    HD1  PHE  10           HD1      PHE  10   2.676  -1.973   9.600
   58    HD2  PHE  10           HD2      PHE  10   4.733   1.343  11.404
   59    HE1  PHE  10           HE1      PHE  10   0.518  -0.800   9.919
   60    HE2  PHE  10           HE2      PHE  10   2.564   2.477  11.789
   61    HZ   PHE  10           HZ       PHE  10   0.446   1.321  11.209
   62    H    VAL  11           H        VAL  11   7.856  -0.001  10.373
   63    HA   VAL  11           HA       VAL  11   9.829  -1.831   9.029
   64    HB   VAL  11           HB       VAL  11  11.488  -0.154   9.407
   65   HG11  VAL  11          HG11      VAL  11  10.555   1.926   8.444
   66   HG12  VAL  11          HG12      VAL  11   9.938   0.481   7.589
   67   HG13  VAL  11          HG13      VAL  11   8.895   1.370   8.727
   68   HG21  VAL  11          HG21      VAL  11  11.065   1.910  10.830
   69   HG22  VAL  11          HG22      VAL  11   9.588   1.119  11.450
   70   HG23  VAL  11          HG23      VAL  11  11.181   0.421  11.779
   71    H    ARG  12           H        ARG  12  11.869  -1.869  11.015
   72    HA   ARG  12           HA       ARG  12  10.529  -3.462  13.100
   73    HB2  ARG  12           HB2      ARG  12  13.504  -2.767  12.827
   74    HB3  ARG  12           HB3      ARG  12  12.747  -3.947  13.927
   75    HG2  ARG  12           HG2      ARG  12  11.769  -5.061  11.728
   76    HG3  ARG  12           HG3      ARG  12  12.952  -4.066  10.851
   77    HD2  ARG  12           HD2      ARG  12  13.538  -6.114  13.064
   78    HD3  ARG  12           HD3      ARG  12  13.763  -6.455  11.365
   79    HE   ARG  12           HE       ARG  12  15.519  -4.949  13.190
   80   HH11  ARG  12          HH11      ARG  12  14.675  -5.299   9.686
   81   HH12  ARG  12          HH12      ARG  12  16.288  -4.811   9.193
   82   HH21  ARG  12          HH21      ARG  12  17.532  -4.327  12.432
   83   HH22  ARG  12          HH22      ARG  12  17.864  -4.259  10.701
   84    H    GLY  13           H        GLY  13   9.144  -1.383  13.624
   85    HA2  GLY  13           HA3      GLY  13   8.625  -0.085  15.478
   86    HA3  GLY  13           HA2      GLY  13  10.158  -0.590  16.191
   87    H    ASP  14           H        ASP  14   8.722   1.759  13.745
   88    HA   ASP  14           HA       ASP  14  10.084   3.826  15.133
   89    HB2  ASP  14           HB2      ASP  14  11.937   2.686  13.462
   90    HB3  ASP  14           HB3      ASP  14  11.236   3.823  12.310
   91    H    THR  15           H        THR  15   9.035   3.351  11.637
   92    HA   THR  15           HA       THR  15   6.627   4.813  12.061
   93    HB   THR  15           HB       THR  15   7.920   6.868  12.169
   94    HG1  THR  15           HG1      THR  15   7.324   7.839  10.088
   95   HG21  THR  15          HG21      THR  15  10.151   5.982  11.491
   96   HG22  THR  15          HG22      THR  15   9.750   7.448  10.567
   97   HG23  THR  15          HG23      THR  15   9.598   5.848   9.792
   98    HA   PRO  16           HA       PRO  16   6.316   2.373   8.327
   99    HB2  PRO  16           HB2      PRO  16   3.936   3.246   7.170
  100    HB3  PRO  16           HB3      PRO  16   3.954   2.451   8.772
  101    HG2  PRO  16           HG2      PRO  16   4.080   5.469   8.266
  102    HG3  PRO  16           HG3      PRO  16   2.828   4.618   9.225
  103    HD2  PRO  16           HD2      PRO  16   4.969   5.723  10.486
  104    HD3  PRO  16           HD3      PRO  16   4.500   4.047  10.959
  105    H    ILE  17           H        ILE  17   6.200   2.570   5.802
  106    HA   ILE  17           HA       ILE  17   7.109   5.279   4.885
  107    HB   ILE  17           HB       ILE  17   8.410   2.690   3.914
  108   HG12  ILE  17          HG12      ILE  17   9.441   4.363   6.271
  109   HG13  ILE  17          HG13      ILE  17   8.839   2.687   6.335
  110   HG21  ILE  17          HG21      ILE  17   8.618   5.016   2.631
  111   HG22  ILE  17          HG22      ILE  17   9.604   5.530   4.010
  112   HG23  ILE  17          HG23      ILE  17  10.121   4.162   2.979
  113   HD11  ILE  17          HD11      ILE  17  11.392   3.599   4.861
  114   HD12  ILE  17          HD12      ILE  17  11.305   2.614   6.321
  115   HD13  ILE  17          HD13      ILE  17  10.699   1.949   4.784
  116    H    SER  18           H        SER  18   4.401   4.186   4.660
  117    HA   SER  18           HA       SER  18   3.960   4.493   1.906
  118    HB2  SER  18           HB2      SER  18   3.323   1.973   1.409
  119    HB3  SER  18           HB3      SER  18   5.037   2.392   1.300
  120    HG   SER  18           HG       SER  18   4.733   0.528   2.710
  121    H    PHE  19           H        PHE  19   1.653   4.085   1.296
  122    HA   PHE  19           HA       PHE  19  -0.099   3.126   3.456
  123    HB2  PHE  19           HB2      PHE  19  -0.334   5.960   2.270
  124    HB3  PHE  19           HB3      PHE  19  -1.419   5.275   3.484
  125    HD1  PHE  19           HD1      PHE  19   2.101   6.387   2.775
  126    HD2  PHE  19           HD2      PHE  19  -0.796   5.510   5.835
  127    HE1  PHE  19           HE1      PHE  19   3.684   7.171   4.499
  128    HE2  PHE  19           HE2      PHE  19   0.777   6.334   7.553
  129    HZ   PHE  19           HZ       PHE  19   3.001   7.218   6.884
  130    H    TYR  20           H        TYR  20  -2.560   3.413   2.614
  131    HA   TYR  20           HA       TYR  20  -2.659   1.424   0.596
  132    HB2  TYR  20           HB2      TYR  20  -4.789   3.430   1.573
  133    HB3  TYR  20           HB3      TYR  20  -5.161   2.086   0.482
  134    HD1  TYR  20           HD1      TYR  20  -2.712   0.966   2.976
  135    HD2  TYR  20           HD2      TYR  20  -6.885   1.794   2.337
  136    HE1  TYR  20           HE1      TYR  20  -3.287  -0.652   4.702
  137    HE2  TYR  20           HE2      TYR  20  -7.462   0.180   4.112
  138    HH   TYR  20           HH       TYR  20  -5.036  -1.776   5.863
  139    H    GLY  21           H        GLY  21  -4.123   1.727  -1.565
  140    HA2  GLY  21           HA3      GLY  21  -4.556   2.992  -3.508
  141    HA3  GLY  21           HA2      GLY  21  -3.743   4.393  -2.778
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1   2.303   0.074   0.660
    2    HA2  GLY   1           HA3      GLY   1   2.959  -0.145  -1.555
    3    HA3  GLY   1           HA2      GLY   1   1.428  -0.988  -1.863
    4    H    GLY   2           H        GLY   2   1.492   2.396  -0.494
    5    HA2  GLY   2           HA3      GLY   2   1.434   3.693  -3.069
    6    HA3  GLY   2           HA2      GLY   2  -0.222   3.370  -2.475
    7    H    ALA   3           H        ALA   3  -0.788   5.648  -1.967
    8    HA   ALA   3           HA       ALA   3   0.689   6.744   0.382
    9    HB1  ALA   3           HB1      ALA   3   1.035   8.921  -0.761
   10    HB2  ALA   3           HB2      ALA   3   1.878   7.615  -1.643
   11    HB3  ALA   3           HB3      ALA   3   0.327   8.253  -2.266
   12    H    GLY   4           H        GLY   4  -1.852   5.563   0.477
   13    HA2  GLY   4           HA3      GLY   4  -3.836   7.773   0.317
   14    HA3  GLY   4           HA2      GLY   4  -4.141   6.058   0.637
   15    H    HIS   5           H        HIS   5  -5.289   6.382   2.669
   16    HA   HIS   5           HA       HIS   5  -4.041   8.140   4.702
   17    HB2  HIS   5           HB2      HIS   5  -6.787   6.852   4.389
   18    HB3  HIS   5           HB3      HIS   5  -6.187   7.112   6.030
   19    HD1  HIS   5           HD1      HIS   5  -6.168   9.284   2.902
   20    HD2  HIS   5           HD2      HIS   5  -6.958   9.369   7.031
   21    HE1  HIS   5           HE1      HIS   5  -6.882  11.663   3.421
   22    H    VAL   6           H        VAL   6  -4.645   4.543   4.282
   23    HA   VAL   6           HA       VAL   6  -3.923   4.264   7.138
   24    HB   VAL   6           HB       VAL   6  -4.990   2.259   5.122
   25   HG11  VAL   6          HG11      VAL   6  -5.494   0.791   7.065
   26   HG12  VAL   6          HG12      VAL   6  -3.747   1.120   7.015
   27   HG13  VAL   6          HG13      VAL   6  -4.795   1.981   8.182
   28   HG21  VAL   6          HG21      VAL   6  -7.176   2.542   6.320
   29   HG22  VAL   6          HG22      VAL   6  -6.447   3.812   7.343
   30   HG23  VAL   6          HG23      VAL   6  -6.655   4.077   5.593
   31    HA   PRO   7           HA       PRO   7   0.197   3.094   5.650
   32    HB2  PRO   7           HB2      PRO   7   1.293   1.778   7.823
   33    HB3  PRO   7           HB3      PRO   7   1.039   3.546   7.735
   34    HG2  PRO   7           HG2      PRO   7  -0.856   1.509   8.975
   35    HG3  PRO   7           HG3      PRO   7  -0.213   3.001   9.743
   36    HD2  PRO   7           HD2      PRO   7  -2.674   3.012   8.640
   37    HD3  PRO   7           HD3      PRO   7  -1.601   4.419   8.302
   38    H    GLU   8           H        GLU   8   1.090   1.236   4.463
   39    HA   GLU   8           HA       GLU   8  -0.640  -1.169   4.430
   40    HB2  GLU   8           HB2      GLU   8   1.872  -0.507   2.826
   41    HB3  GLU   8           HB3      GLU   8   0.859  -1.959   2.596
   42    HG2  GLU   8           HG2      GLU   8  -1.093  -0.525   2.032
   43    HG3  GLU   8           HG3      GLU   8  -0.084   0.932   2.205
   44    H    TYR   9           H        TYR   9   2.881  -0.284   5.067
   45    HA   TYR   9           HA       TYR   9   3.132  -2.848   6.606
   46    HB2  TYR   9           HB2      TYR   9   5.165  -1.586   4.660
   47    HB3  TYR   9           HB3      TYR   9   5.345  -3.147   5.483
   48    HD1  TYR   9           HD2      TYR   9   3.502  -4.953   5.042
   49    HD2  TYR   9           HD1      TYR   9   4.152  -1.574   2.460
   50    HE1  TYR   9           HE2      TYR   9   2.412  -6.161   3.193
   51    HE2  TYR   9           HE1      TYR   9   3.016  -2.767   0.621
   52    HH   TYR   9           HH       TYR   9   1.844  -6.125   0.865
   53    H    PHE  10           H        PHE  10   5.344  -2.735   7.884
   54    HA   PHE  10           HA       PHE  10   5.947   0.078   8.707
   55    HB2  PHE  10           HB2      PHE  10   5.174  -2.313  10.492
   56    HB3  PHE  10           HB3      PHE  10   6.003  -0.885  11.125
   57    HD1  PHE  10           HD1      PHE  10   2.834  -2.033   9.467
   58    HD2  PHE  10           HD2      PHE  10   4.862   1.303  11.268
   59    HE1  PHE  10           HE1      PHE  10   0.661  -0.903   9.832
   60    HE2  PHE  10           HE2      PHE  10   2.679   2.392  11.703
   61    HZ   PHE  10           HZ       PHE  10   0.573   1.205  11.143
   62    H    VAL  11           H        VAL  11   7.985   0.054  10.146
   63    HA   VAL  11           HA       VAL  11   9.970  -1.736   8.765
   64    HB   VAL  11           HB       VAL  11  11.606  -0.034   9.127
   65   HG11  VAL  11          HG11      VAL  11   8.982   1.460   8.505
   66   HG12  VAL  11          HG12      VAL  11  10.628   2.040   8.198
   67   HG13  VAL  11          HG13      VAL  11  10.015   0.597   7.339
   68   HG21  VAL  11          HG21      VAL  11  11.342   0.520  11.500
   69   HG22  VAL  11          HG22      VAL  11  11.165   2.017  10.574
   70   HG23  VAL  11          HG23      VAL  11   9.723   1.181  11.218
   71    H    ARG  12           H        ARG  12  12.032  -1.766  10.717
   72    HA   ARG  12           HA       ARG  12  10.781  -3.390  12.809
   73    HB2  ARG  12           HB2      ARG  12  13.685  -2.446  12.630
   74    HB3  ARG  12           HB3      ARG  12  13.003  -3.718  13.672
   75    HG2  ARG  12           HG2      ARG  12  12.167  -4.666  11.197
   76    HG3  ARG  12           HG3      ARG  12  13.618  -3.778  10.682
   77    HD2  ARG  12           HD2      ARG  12  13.408  -5.994  12.783
   78    HD3  ARG  12           HD3      ARG  12  14.148  -6.154  11.152
   79    HE   ARG  12           HE       ARG  12  15.574  -4.095  12.459
   80   HH11  ARG  12          HH11      ARG  12  14.997  -7.628  12.896
   81   HH12  ARG  12          HH12      ARG  12  16.513  -7.838  13.759
   82   HH21  ARG  12          HH21      ARG  12  17.500  -4.475  13.563
   83   HH22  ARG  12          HH22      ARG  12  17.913  -6.100  14.117
   84    H    GLY  13           H        GLY  13   9.253  -1.437  13.404
   85    HA2  GLY  13           HA3      GLY  13   8.678  -0.090  15.206
   86    HA3  GLY  13           HA2      GLY  13  10.192  -0.607  15.956
   87    H    ASP  14           H        ASP  14   8.817   1.782  13.529
   88    HA   ASP  14           HA       ASP  14  10.189   3.820  14.968
   89    HB2  ASP  14           HB2      ASP  14  12.022   2.697  13.269
   90    HB3  ASP  14           HB3      ASP  14  11.324   3.857  12.137
   91    H    THR  15           H        THR  15   9.113   3.387  11.479
   92    HA   THR  15           HA       THR  15   6.703   4.829  11.949
   93    HB   THR  15           HB       THR  15   7.953   6.887  12.064
   94    HG1  THR  15           HG1      THR  15   7.334   7.876   9.999
   95   HG21  THR  15          HG21      THR  15   9.633   5.922   9.655
   96   HG22  THR  15          HG22      THR  15  10.201   6.037  11.347
   97   HG23  THR  15          HG23      THR  15   9.773   7.511  10.450
   98    HA   PRO  16           HA       PRO  16   6.370   2.413   8.190
   99    HB2  PRO  16           HB2      PRO  16   3.959   3.263   7.085
  100    HB3  PRO  16           HB3      PRO  16   4.020   2.446   8.677
  101    HG2  PRO  16           HG2      PRO  16   4.080   5.469   8.202
  102    HG3  PRO  16           HG3      PRO  16   2.861   4.587   9.174
  103    HD2  PRO  16           HD2      PRO  16   5.002   5.715  10.409
  104    HD3  PRO  16           HD3      PRO  16   4.571   4.026  10.872
  105    H    ILE  17           H        ILE  17   6.210   2.643   5.670
  106    HA   ILE  17           HA       ILE  17   7.030   5.379   4.768
  107    HB   ILE  17           HB       ILE  17   8.413   2.847   3.761
  108   HG12  ILE  17          HG12      ILE  17   9.414   4.555   6.108
  109   HG13  ILE  17          HG13      ILE  17   8.873   2.859   6.178
  110   HG21  ILE  17          HG21      ILE  17   8.505   5.183   2.487
  111   HG22  ILE  17          HG22      ILE  17   9.495   5.730   3.850
  112   HG23  ILE  17          HG23      ILE  17  10.046   4.386   2.805
  113   HD11  ILE  17          HD11      ILE  17  11.346   2.886   6.128
  114   HD12  ILE  17          HD12      ILE  17  10.737   2.187   4.607
  115   HD13  ILE  17          HD13      ILE  17  11.367   3.863   4.662
  116    H    SER  18           H        SER  18   4.371   4.272   4.564
  117    HA   SER  18           HA       SER  18   3.869   4.649   1.853
  118    HB2  SER  18           HB2      SER  18   3.236   2.177   1.206
  119    HB3  SER  18           HB3      SER  18   4.944   2.580   1.102
  120    HG   SER  18           HG       SER  18   3.770   1.271   3.366
  121    H    PHE  19           H        PHE  19   1.545   4.224   1.270
  122    HA   PHE  19           HA       PHE  19  -0.126   3.158   3.450
  123    HB2  PHE  19           HB2      PHE  19  -0.459   6.008   2.333
  124    HB3  PHE  19           HB3      PHE  19  -1.502   5.263   3.550
  125    HD1  PHE  19           HD1      PHE  19   1.974   6.484   2.800
  126    HD2  PHE  19           HD2      PHE  19  -0.829   5.448   5.895
  127    HE1  PHE  19           HE1      PHE  19   3.572   7.267   4.511
  128    HE2  PHE  19           HE2      PHE  19   0.751   6.282   7.601
  129    HZ   PHE  19           HZ       PHE  19   2.937   7.242   6.909
  130    H    TYR  20           H        TYR  20  -2.622   3.389   2.658
  131    HA   TYR  20           HA       TYR  20  -2.669   1.426   0.610
  132    HB2  TYR  20           HB2      TYR  20  -4.872   3.330   1.612
  133    HB3  TYR  20           HB3      TYR  20  -5.171   1.986   0.491
  134    HD1  TYR  20           HD1      TYR  20  -2.697   0.938   2.984
  135    HD2  TYR  20           HD2      TYR  20  -6.899   1.607   2.355
  136    HE1  TYR  20           HE1      TYR  20  -3.218  -0.720   4.704
  137    HE2  TYR  20           HE2      TYR  20  -7.417  -0.029   4.114
  138    HH   TYR  20           HH       TYR  20  -6.536  -1.641   5.642
  139    H    GLY  21           H        GLY  21  -4.065   1.711  -1.580
  140    HA2  GLY  21           HA3      GLY  21  -2.723   3.585  -3.232
  141    HA3  GLY  21           HA2      GLY  21  -4.291   2.832  -3.624
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1   2.120   0.137   0.540
    2    HA2  GLY   1           HA3      GLY   1   2.736  -0.058  -1.689
    3    HA3  GLY   1           HA2      GLY   1   1.177  -0.854  -1.988
    4    H    GLY   2           H        GLY   2   1.453   2.504  -0.556
    5    HA2  GLY   2           HA3      GLY   2   1.321   3.862  -3.086
    6    HA3  GLY   2           HA2      GLY   2  -0.323   3.576  -2.445
    7    H    ALA   3           H        ALA   3  -0.792   5.868  -1.888
    8    HA   ALA   3           HA       ALA   3   0.769   6.849   0.457
    9    HB1  ALA   3           HB1      ALA   3   0.432   8.430  -2.153
   10    HB2  ALA   3           HB2      ALA   3   1.192   9.033  -0.645
   11    HB3  ALA   3           HB3      ALA   3   1.960   7.707  -1.566
   12    H    GLY   4           H        GLY   4  -1.836   5.780   0.555
   13    HA2  GLY   4           HA3      GLY   4  -3.706   8.093   0.495
   14    HA3  GLY   4           HA2      GLY   4  -4.093   6.385   0.768
   15    H    HIS   5           H        HIS   5  -5.224   6.744   2.816
   16    HA   HIS   5           HA       HIS   5  -3.846   8.339   4.889
   17    HB2  HIS   5           HB2      HIS   5  -6.635   7.085   4.676
   18    HB3  HIS   5           HB3      HIS   5  -5.946   7.410   6.270
   19    HD1  HIS   5           HD1      HIS   5  -6.903   9.318   3.167
   20    HD2  HIS   5           HD2      HIS   5  -5.765   9.866   7.177
   21    HE1  HIS   5           HE1      HIS   5  -7.322  11.770   3.675
   22    H    VAL   6           H        VAL   6  -4.643   4.788   4.369
   23    HA   VAL   6           HA       VAL   6  -3.879   4.388   7.194
   24    HB   VAL   6           HB       VAL   6  -5.040   2.478   5.138
   25   HG11  VAL   6          HG11      VAL   6  -3.816   1.243   6.981
   26   HG12  VAL   6          HG12      VAL   6  -4.820   2.103   8.186
   27   HG13  VAL   6          HG13      VAL   6  -5.572   0.971   7.042
   28   HG21  VAL   6          HG21      VAL   6  -6.635   4.338   5.685
   29   HG22  VAL   6          HG22      VAL   6  -7.198   2.801   6.375
   30   HG23  VAL   6          HG23      VAL   6  -6.413   4.016   7.424
   31    HA   PRO   7           HA       PRO   7   0.181   3.112   5.638
   32    HB2  PRO   7           HB2      PRO   7   1.249   1.697   7.768
   33    HB3  PRO   7           HB3      PRO   7   1.060   3.474   7.728
   34    HG2  PRO   7           HG2      PRO   7  -0.904   1.480   8.932
   35    HG3  PRO   7           HG3      PRO   7  -0.198   2.928   9.730
   36    HD2  PRO   7           HD2      PRO   7  -2.663   3.057   8.656
   37    HD3  PRO   7           HD3      PRO   7  -1.543   4.433   8.338
   38    H    GLU   8           H        GLU   8   1.015   1.249   4.404
   39    HA   GLU   8           HA       GLU   8  -0.812  -1.085   4.322
   40    HB2  GLU   8           HB2      GLU   8   1.705  -0.483   2.697
   41    HB3  GLU   8           HB3      GLU   8   0.632  -1.888   2.455
   42    HG2  GLU   8           HG2      GLU   8  -1.272  -0.369   1.952
   43    HG3  GLU   8           HG3      GLU   8  -0.204   1.045   2.135
   44    H    TYR   9           H        TYR   9   2.775  -0.385   4.864
   45    HA   TYR   9           HA       TYR   9   2.900  -2.955   6.416
   46    HB2  TYR   9           HB2      TYR   9   4.961  -1.813   4.430
   47    HB3  TYR   9           HB3      TYR   9   5.087  -3.367   5.277
   48    HD1  TYR   9           HD2      TYR   9   3.175  -5.111   4.886
   49    HD2  TYR   9           HD1      TYR   9   3.889  -1.790   2.252
   50    HE1  TYR   9           HE2      TYR   9   1.994  -6.292   3.074
   51    HE2  TYR   9           HE1      TYR   9   2.639  -2.933   0.464
   52    HH   TYR   9           HH       TYR   9   1.372  -6.253   0.759
   53    H    PHE  10           H        PHE  10   5.100  -2.976   7.689
   54    HA   PHE  10           HA       PHE  10   5.844  -0.204   8.556
   55    HB2  PHE  10           HB2      PHE  10   4.984  -2.604  10.288
   56    HB3  PHE  10           HB3      PHE  10   5.868  -1.225  10.954
   57    HD1  PHE  10           HD1      PHE  10   2.650  -2.199   9.289
   58    HD2  PHE  10           HD2      PHE  10   4.829   1.006  11.151
   59    HE1  PHE  10           HE1      PHE  10   0.526  -0.998   9.720
   60    HE2  PHE  10           HE2      PHE  10   2.697   2.169  11.641
   61    HZ   PHE  10           HZ       PHE  10   0.538   1.077  11.086
   62    H    VAL  11           H        VAL  11   7.891  -0.373  10.002
   63    HA   VAL  11           HA       VAL  11   9.783  -2.190   8.528
   64    HB   VAL  11           HB       VAL  11  11.485  -0.559   8.906
   65   HG11  VAL  11          HG11      VAL  11  10.573   1.575   8.063
   66   HG12  VAL  11          HG12      VAL  11   9.889   0.184   7.173
   67   HG13  VAL  11          HG13      VAL  11   8.909   1.051   8.382
   68   HG21  VAL  11          HG21      VAL  11  11.162   1.450  10.422
   69   HG22  VAL  11          HG22      VAL  11   9.688   0.671  11.064
   70   HG23  VAL  11          HG23      VAL  11  11.275  -0.077  11.307
   71    H    ARG  12           H        ARG  12  11.870  -2.368  10.386
   72    HA   ARG  12           HA       ARG  12  10.735  -4.031  12.483
   73    HB2  ARG  12           HB2      ARG  12  13.017  -4.349  11.437
   74    HB3  ARG  12           HB3      ARG  12  13.540  -2.838  12.203
   75    HG2  ARG  12           HG2      ARG  12  12.428  -4.390  14.370
   76    HG3  ARG  12           HG3      ARG  12  13.266  -5.591  13.370
   77    HD2  ARG  12           HD2      ARG  12  14.422  -3.028  14.577
   78    HD3  ARG  12           HD3      ARG  12  14.782  -4.710  15.103
   79    HE   ARG  12           HE       ARG  12  15.500  -4.540  12.362
   80   HH11  ARG  12          HH11      ARG  12  16.531  -3.092  15.500
   81   HH12  ARG  12          HH12      ARG  12  18.156  -2.789  14.904
   82   HH21  ARG  12          HH21      ARG  12  17.609  -4.111  11.699
   83   HH22  ARG  12          HH22      ARG  12  18.764  -3.364  12.805
   84    H    GLY  13           H        GLY  13   9.133  -2.111  13.184
   85    HA2  GLY  13           HA3      GLY  13   8.575  -0.689  14.933
   86    HA3  GLY  13           HA2      GLY  13  10.047  -1.280  15.710
   87    H    ASP  14           H        ASP  14   8.798   1.243  13.359
   88    HA   ASP  14           HA       ASP  14  10.269   3.158  14.862
   89    HB2  ASP  14           HB2      ASP  14  12.061   2.040  13.137
   90    HB3  ASP  14           HB3      ASP  14  11.398   3.244  12.029
   91    H    THR  15           H        THR  15   9.165   2.904  11.363
   92    HA   THR  15           HA       THR  15   6.822   4.432  11.904
   93    HB   THR  15           HB       THR  15   8.175   6.426  12.064
   94    HG1  THR  15           HG1      THR  15   7.561   7.506  10.039
   95   HG21  THR  15          HG21      THR  15   9.992   7.019  10.441
   96   HG22  THR  15          HG22      THR  15   9.762   5.469   9.592
   97   HG23  THR  15          HG23      THR  15  10.366   5.495  11.274
   98    HA   PRO  16           HA       PRO  16   6.353   2.145   8.080
   99    HB2  PRO  16           HB2      PRO  16   3.959   3.113   7.036
  100    HB3  PRO  16           HB3      PRO  16   4.007   2.252   8.603
  101    HG2  PRO  16           HG2      PRO  16   4.181   5.283   8.214
  102    HG3  PRO  16           HG3      PRO  16   2.942   4.419   9.177
  103    HD2  PRO  16           HD2      PRO  16   5.143   5.429  10.414
  104    HD3  PRO  16           HD3      PRO  16   4.648   3.748  10.838
  105    H    ILE  17           H        ILE  17   6.173   2.471   5.570
  106    HA   ILE  17           HA       ILE  17   7.104   5.205   4.762
  107    HB   ILE  17           HB       ILE  17   8.342   2.646   3.647
  108   HG12  ILE  17          HG12      ILE  17   9.441   4.205   6.052
  109   HG13  ILE  17          HG13      ILE  17   8.827   2.533   6.057
  110   HG21  ILE  17          HG21      ILE  17  10.060   4.133   2.741
  111   HG22  ILE  17          HG22      ILE  17   8.561   5.017   2.457
  112   HG23  ILE  17          HG23      ILE  17   9.580   5.464   3.835
  113   HD11  ILE  17          HD11      ILE  17  11.288   2.447   5.997
  114   HD12  ILE  17          HD12      ILE  17  10.652   1.848   4.445
  115   HD13  ILE  17          HD13      ILE  17  11.359   3.488   4.576
  116    H    SER  18           H        SER  18   4.377   4.154   4.562
  117    HA   SER  18           HA       SER  18   3.879   4.590   1.823
  118    HB2  SER  18           HB2      SER  18   3.169   2.155   1.210
  119    HB3  SER  18           HB3      SER  18   4.918   2.414   1.216
  120    HG   SER  18           HG       SER  18   4.353   0.544   2.536
  121    H    PHE  19           H        PHE  19   1.531   4.259   1.273
  122    HA   PHE  19           HA       PHE  19  -0.169   3.232   3.442
  123    HB2  PHE  19           HB2      PHE  19  -0.400   6.118   2.399
  124    HB3  PHE  19           HB3      PHE  19  -1.458   5.388   3.612
  125    HD1  PHE  19           HD1      PHE  19   2.047   6.509   2.854
  126    HD2  PHE  19           HD2      PHE  19  -0.754   5.481   5.952
  127    HE1  PHE  19           HE1      PHE  19   3.688   7.193   4.567
  128    HE2  PHE  19           HE2      PHE  19   0.867   6.221   7.661
  129    HZ   PHE  19           HZ       PHE  19   3.077   7.123   6.971
  130    H    TYR  20           H        TYR  20  -2.658   3.568   2.692
  131    HA   TYR  20           HA       TYR  20  -2.807   1.680   0.589
  132    HB2  TYR  20           HB2      TYR  20  -4.919   3.656   1.656
  133    HB3  TYR  20           HB3      TYR  20  -5.295   2.353   0.511
  134    HD1  TYR  20           HD1      TYR  20  -2.858   1.105   2.937
  135    HD2  TYR  20           HD2      TYR  20  -7.021   2.045   2.395
  136    HE1  TYR  20           HE1      TYR  20  -3.444  -0.584   4.592
  137    HE2  TYR  20           HE2      TYR  20  -7.606   0.369   4.109
  138    HH   TYR  20           HH       TYR  20  -5.215  -1.768   5.678
  139    H    GLY  21           H        GLY  21  -4.174   2.039  -1.578
  140    HA2  GLY  21           HA3      GLY  21  -4.182   4.714  -2.635
  141    HA3  GLY  21           HA2      GLY  21  -2.757   3.819  -3.237
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   2.299  -0.278   0.654
    2    HA2  GLY   1           HA3      GLY   1   2.862  -0.254  -1.590
    3    HA3  GLY   1           HA2      GLY   1   1.358  -1.175  -1.837
    4    H    GLY   2           H        GLY   2   1.497   2.248  -0.540
    5    HA2  GLY   2           HA3      GLY   2   1.112   3.489  -3.080
    6    HA3  GLY   2           HA2      GLY   2  -0.486   3.096  -2.385
    7    H    ALA   3           H        ALA   3  -1.148   5.338  -1.945
    8    HA   ALA   3           HA       ALA   3   0.353   6.608   0.296
    9    HB1  ALA   3           HB1      ALA   3  -0.155   7.964  -2.408
   10    HB2  ALA   3           HB2      ALA   3   0.590   8.736  -0.971
   11    HB3  ALA   3           HB3      ALA   3   1.441   7.411  -1.817
   12    H    GLY   4           H        GLY   4  -2.182   5.352   0.496
   13    HA2  GLY   4           HA3      GLY   4  -4.194   7.533   0.372
   14    HA3  GLY   4           HA2      GLY   4  -4.460   5.829   0.786
   15    H    HIS   5           H        HIS   5  -5.517   6.235   2.859
   16    HA   HIS   5           HA       HIS   5  -4.127   8.033   4.770
   17    HB2  HIS   5           HB2      HIS   5  -6.859   6.630   4.798
   18    HB3  HIS   5           HB3      HIS   5  -6.116   7.271   6.278
   19    HD1  HIS   5           HD1      HIS   5  -8.154   8.813   6.382
   20    HD2  HIS   5           HD2      HIS   5  -5.430   9.574   3.266
   21    HE1  HIS   5           HE1      HIS   5  -8.626  11.172   5.624
   22    H    VAL   6           H        VAL   6  -4.778   4.430   4.477
   23    HA   VAL   6           HA       VAL   6  -3.940   4.218   7.309
   24    HB   VAL   6           HB       VAL   6  -5.050   2.146   5.389
   25   HG11  VAL   6          HG11      VAL   6  -4.724   1.970   8.451
   26   HG12  VAL   6          HG12      VAL   6  -5.454   0.741   7.392
   27   HG13  VAL   6          HG13      VAL   6  -3.712   1.095   7.259
   28   HG21  VAL   6          HG21      VAL   6  -6.718   3.947   5.864
   29   HG22  VAL   6          HG22      VAL   6  -7.189   2.430   6.664
   30   HG23  VAL   6          HG23      VAL   6  -6.447   3.747   7.618
   31    HA   PRO   7           HA       PRO   7   0.126   3.119   5.669
   32    HB2  PRO   7           HB2      PRO   7   1.339   1.848   7.817
   33    HB3  PRO   7           HB3      PRO   7   1.084   3.619   7.698
   34    HG2  PRO   7           HG2      PRO   7  -0.718   1.600   9.090
   35    HG3  PRO   7           HG3      PRO   7  -0.076   3.138   9.766
   36    HD2  PRO   7           HD2      PRO   7  -2.596   3.051   8.777
   37    HD3  PRO   7           HD3      PRO   7  -1.561   4.473   8.354
   38    H    GLU   8           H        GLU   8   1.071   1.256   4.516
   39    HA   GLU   8           HA       GLU   8  -0.676  -1.131   4.473
   40    HB2  GLU   8           HB2      GLU   8   1.880  -0.538   2.895
   41    HB3  GLU   8           HB3      GLU   8   0.834  -1.974   2.683
   42    HG2  GLU   8           HG2      GLU   8  -1.099  -0.475   2.135
   43    HG3  GLU   8           HG3      GLU   8  -0.020   0.935   2.243
   44    H    TYR   9           H        TYR   9   2.855  -0.361   5.166
   45    HA   TYR   9           HA       TYR   9   2.824  -2.517   7.198
   46    HB2  TYR   9           HB2      TYR   9   4.806  -3.653   6.079
   47    HB3  TYR   9           HB3      TYR   9   3.324  -3.746   5.111
   48    HD1  TYR   9           HD2      TYR   9   6.544  -1.816   5.518
   49    HD2  TYR   9           HD1      TYR   9   3.270  -2.774   2.890
   50    HE1  TYR   9           HE2      TYR   9   7.713  -0.708   3.641
   51    HE2  TYR   9           HE1      TYR   9   4.442  -1.684   1.023
   52    HH   TYR   9           HH       TYR   9   6.388  -0.489   0.333
   53    H    PHE  10           H        PHE  10   5.152  -2.646   8.260
   54    HA   PHE  10           HA       PHE  10   6.189   0.179   8.467
   55    HB2  PHE  10           HB2      PHE  10   5.580  -1.877  10.663
   56    HB3  PHE  10           HB3      PHE  10   6.459  -0.358  10.926
   57    HD1  PHE  10           HD1      PHE  10   3.158  -1.768   9.754
   58    HD2  PHE  10           HD2      PHE  10   5.245   1.771  11.047
   59    HE1  PHE  10           HE1      PHE  10   0.995  -0.630  10.145
   60    HE2  PHE  10           HE2      PHE  10   3.073   2.842  11.587
   61    HZ   PHE  10           HZ       PHE  10   0.956   1.589  11.262
   62    H    VAL  11           H        VAL  11   8.404   0.135   9.641
   63    HA   VAL  11           HA       VAL  11  10.043  -1.925   8.220
   64    HB   VAL  11           HB       VAL  11  11.880  -0.428   8.351
   65   HG11  VAL  11          HG11      VAL  11  10.132   0.272   6.708
   66   HG12  VAL  11          HG12      VAL  11   9.457   1.404   7.914
   67   HG13  VAL  11          HG13      VAL  11  11.124   1.618   7.332
   68   HG21  VAL  11          HG21      VAL  11  10.353   1.170  10.484
   69   HG22  VAL  11          HG22      VAL  11  11.850   0.263  10.747
   70   HG23  VAL  11          HG23      VAL  11  11.872   1.697   9.705
   71    H    ARG  12           H        ARG  12  12.297  -2.039   9.940
   72    HA   ARG  12           HA       ARG  12  11.317  -3.717  12.081
   73    HB2  ARG  12           HB2      ARG  12  13.599  -3.823  10.806
   74    HB3  ARG  12           HB3      ARG  12  14.097  -2.457  11.809
   75    HG2  ARG  12           HG2      ARG  12  14.944  -4.279  13.038
   76    HG3  ARG  12           HG3      ARG  12  13.380  -4.078  13.861
   77    HD2  ARG  12           HD2      ARG  12  12.458  -5.974  12.320
   78    HD3  ARG  12           HD3      ARG  12  14.037  -6.031  11.564
   79    HE   ARG  12           HE       ARG  12  15.002  -7.165  13.288
   80   HH11  ARG  12          HH11      ARG  12  11.819  -5.902  14.442
   81   HH12  ARG  12          HH12      ARG  12  11.878  -6.904  15.883
   82   HH21  ARG  12          HH21      ARG  12  14.992  -8.369  15.165
   83   HH22  ARG  12          HH22      ARG  12  13.645  -8.265  16.299
   84    H    GLY  13           H        GLY  13   9.715  -1.790  12.867
   85    HA2  GLY  13           HA3      GLY  13   9.232  -0.404  14.668
   86    HA3  GLY  13           HA2      GLY  13  10.793  -0.892  15.341
   87    H    ASP  14           H        ASP  14   9.257   1.461  12.973
   88    HA   ASP  14           HA       ASP  14  10.763   3.490  14.334
   89    HB2  ASP  14           HB2      ASP  14  12.455   2.499  12.556
   90    HB3  ASP  14           HB3      ASP  14  11.545   3.449  11.374
   91    H    THR  15           H        THR  15   9.281   3.161  10.981
   92    HA   THR  15           HA       THR  15   6.948   4.666  11.687
   93    HB   THR  15           HB       THR  15   7.943   6.477   9.752
   94    HG1  THR  15           HG1      THR  15  10.079   7.041  10.599
   95   HG21  THR  15          HG21      THR  15   6.607   7.144  11.790
   96   HG22  THR  15          HG22      THR  15   8.005   8.206  11.501
   97   HG23  THR  15          HG23      THR  15   8.072   6.991  12.793
   98    HA   PRO  16           HA       PRO  16   6.240   2.451   7.866
   99    HB2  PRO  16           HB2      PRO  16   3.880   3.477   6.906
  100    HB3  PRO  16           HB3      PRO  16   3.953   2.733   8.536
  101    HG2  PRO  16           HG2      PRO  16   4.265   5.706   7.868
  102    HG3  PRO  16           HG3      PRO  16   3.032   4.998   8.963
  103    HD2  PRO  16           HD2      PRO  16   5.413   5.998   9.964
  104    HD3  PRO  16           HD3      PRO  16   4.746   4.455  10.626
  105    H    ILE  17           H        ILE  17   6.110   2.659   5.393
  106    HA   ILE  17           HA       ILE  17   6.858   5.380   4.386
  107    HB   ILE  17           HB       ILE  17   8.244   2.828   3.418
  108   HG12  ILE  17          HG12      ILE  17   9.322   4.746   5.578
  109   HG13  ILE  17          HG13      ILE  17   8.838   3.046   5.821
  110   HG21  ILE  17          HG21      ILE  17   9.257   5.734   3.252
  111   HG22  ILE  17          HG22      ILE  17   9.756   4.328   2.257
  112   HG23  ILE  17          HG23      ILE  17   8.176   5.078   2.008
  113   HD11  ILE  17          HD11      ILE  17  10.653   2.274   4.286
  114   HD12  ILE  17          HD12      ILE  17  11.199   3.965   4.046
  115   HD13  ILE  17          HD13      ILE  17  11.302   3.238   5.649
  116    H    SER  18           H        SER  18   4.229   4.252   4.376
  117    HA   SER  18           HA       SER  18   3.579   4.474   1.683
  118    HB2  SER  18           HB2      SER  18   2.809   1.844   1.503
  119    HB3  SER  18           HB3      SER  18   4.314   2.418   0.770
  120    HG   SER  18           HG       SER  18   5.399   1.541   2.669
  121    H    PHE  19           H        PHE  19   1.249   4.014   1.208
  122    HA   PHE  19           HA       PHE  19  -0.336   3.091   3.492
  123    HB2  PHE  19           HB2      PHE  19  -0.731   5.888   2.271
  124    HB3  PHE  19           HB3      PHE  19  -1.733   5.182   3.548
  125    HD1  PHE  19           HD2      PHE  19   1.703   6.425   2.651
  126    HD2  PHE  19           HD1      PHE  19  -0.977   5.433   5.868
  127    HE1  PHE  19           HE2      PHE  19   3.337   7.300   4.284
  128    HE2  PHE  19           HE1      PHE  19   0.645   6.343   7.497
  129    HZ   PHE  19           HZ       PHE  19   2.788   7.323   6.705
  130    H    TYR  20           H        TYR  20  -2.841   3.236   2.801
  131    HA   TYR  20           HA       TYR  20  -2.977   1.237   0.790
  132    HB2  TYR  20           HB2      TYR  20  -5.129   3.146   1.884
  133    HB3  TYR  20           HB3      TYR  20  -5.493   1.774   0.815
  134    HD1  TYR  20           HD2      TYR  20  -2.860   0.761   3.150
  135    HD2  TYR  20           HD1      TYR  20  -7.093   1.468   2.805
  136    HE1  TYR  20           HE2      TYR  20  -3.267  -0.862   4.923
  137    HE2  TYR  20           HE1      TYR  20  -7.497  -0.157   4.623
  138    HH   TYR  20           HH       TYR  20  -4.907  -2.095   6.137
  139    H    GLY  21           H        GLY  21  -4.552   1.454  -1.286
  140    HA2  GLY  21           HA3      GLY  21  -5.164   2.666  -3.210
  141    HA3  GLY  21           HA2      GLY  21  -4.456   4.133  -2.499
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   2.269   0.189   0.729
    2    HA2  GLY   1           HA3      GLY   1   2.976  -0.207  -1.458
    3    HA3  GLY   1           HA2      GLY   1   1.456  -1.070  -1.767
    4    H    GLY   2           H        GLY   2   1.500   2.340  -0.497
    5    HA2  GLY   2           HA3      GLY   2   1.423   3.572  -3.093
    6    HA3  GLY   2           HA2      GLY   2  -0.235   3.258  -2.498
    7    H    ALA   3           H        ALA   3  -0.832   5.524  -2.011
    8    HA   ALA   3           HA       ALA   3   0.651   6.674   0.309
    9    HB1  ALA   3           HB1      ALA   3   1.800   7.539  -1.742
   10    HB2  ALA   3           HB2      ALA   3   0.230   8.144  -2.352
   11    HB3  ALA   3           HB3      ALA   3   0.948   8.845  -0.866
   12    H    GLY   4           H        GLY   4  -1.869   5.444   0.436
   13    HA2  GLY   4           HA3      GLY   4  -3.894   7.609   0.273
   14    HA3  GLY   4           HA2      GLY   4  -4.157   5.895   0.642
   15    H    HIS   5           H        HIS   5  -5.307   6.260   2.654
   16    HA   HIS   5           HA       HIS   5  -4.053   8.068   4.634
   17    HB2  HIS   5           HB2      HIS   5  -6.799   6.797   4.337
   18    HB3  HIS   5           HB3      HIS   5  -6.222   7.050   5.988
   19    HD1  HIS   5           HD1      HIS   5  -5.282   9.460   6.549
   20    HD2  HIS   5           HD2      HIS   5  -7.869   9.071   3.257
   21    HE1  HIS   5           HE1      HIS   5  -6.189  11.776   6.126
   22    H    VAL   6           H        VAL   6  -4.611   4.468   4.291
   23    HA   VAL   6           HA       VAL   6  -3.882   4.233   7.158
   24    HB   VAL   6           HB       VAL   6  -4.946   2.193   5.174
   25   HG11  VAL   6          HG11      VAL   6  -5.429   0.762   7.137
   26   HG12  VAL   6          HG12      VAL   6  -3.682   1.107   7.071
   27   HG13  VAL   6          HG13      VAL   6  -4.732   1.972   8.241
   28   HG21  VAL   6          HG21      VAL   6  -7.124   2.478   6.377
   29   HG22  VAL   6          HG22      VAL   6  -6.408   3.776   7.376
   30   HG23  VAL   6          HG23      VAL   6  -6.616   4.005   5.618
   31    HA   PRO   7           HA       PRO   7   0.229   3.090   5.633
   32    HB2  PRO   7           HB2      PRO   7   1.366   1.826   7.815
   33    HB3  PRO   7           HB3      PRO   7   1.084   3.595   7.706
   34    HG2  PRO   7           HG2      PRO   7  -0.760   1.539   8.991
   35    HG3  PRO   7           HG3      PRO   7  -0.129   3.052   9.736
   36    HD2  PRO   7           HD2      PRO   7  -2.608   3.018   8.658
   37    HD3  PRO   7           HD3      PRO   7  -1.547   4.437   8.298
   38    H    GLU   8           H        GLU   8   1.142   1.211   4.488
   39    HA   GLU   8           HA       GLU   8  -0.565  -1.218   4.540
   40    HB2  GLU   8           HB2      GLU   8   1.901  -0.585   2.849
   41    HB3  GLU   8           HB3      GLU   8   0.880  -2.040   2.691
   42    HG2  GLU   8           HG2      GLU   8  -1.081  -0.619   2.139
   43    HG3  GLU   8           HG3      GLU   8  -0.069   0.845   2.241
   44    H    TYR   9           H        TYR   9   2.958  -0.278   5.070
   45    HA   TYR   9           HA       TYR   9   3.276  -2.800   6.678
   46    HB2  TYR   9           HB2      TYR   9   5.255  -1.582   4.655
   47    HB3  TYR   9           HB3      TYR   9   5.442  -3.129   5.508
   48    HD1  TYR   9           HD2      TYR   9   3.586  -4.939   5.138
   49    HD2  TYR   9           HD1      TYR   9   4.199  -1.610   2.480
   50    HE1  TYR   9           HE2      TYR   9   2.463  -6.179   3.330
   51    HE2  TYR   9           HE1      TYR   9   3.024  -2.832   0.685
   52    HH   TYR   9           HH       TYR   9   1.868  -6.189   1.011
   53    H    PHE  10           H        PHE  10   5.520  -2.638   7.898
   54    HA   PHE  10           HA       PHE  10   6.124   0.205   8.624
   55    HB2  PHE  10           HB2      PHE  10   5.441  -2.122  10.513
   56    HB3  PHE  10           HB3      PHE  10   6.249  -0.636  11.051
   57    HD1  PHE  10           HD1      PHE  10   3.086  -1.942   9.485
   58    HD2  PHE  10           HD2      PHE  10   5.020   1.479  11.244
   59    HE1  PHE  10           HE1      PHE  10   0.882  -0.867   9.831
   60    HE2  PHE  10           HE2      PHE  10   2.804   2.494  11.694
   61    HZ   PHE  10           HZ       PHE  10   0.734   1.253  11.118
   62    H    VAL  11           H        VAL  11   8.221   0.292   9.925
   63    HA   VAL  11           HA       VAL  11  10.156  -1.621   8.656
   64    HB   VAL  11           HB       VAL  11  11.848   0.018   8.937
   65   HG11  VAL  11          HG11      VAL  11   9.331   1.657   8.304
   66   HG12  VAL  11          HG12      VAL  11  11.003   2.016   7.807
   67   HG13  VAL  11          HG13      VAL  11  10.170   0.578   7.154
   68   HG21  VAL  11          HG21      VAL  11  11.457   2.178  10.265
   69   HG22  VAL  11          HG22      VAL  11  10.013   1.395  10.971
   70   HG23  VAL  11          HG23      VAL  11  11.622   0.722  11.267
   71    H    ARG  12           H        ARG  12  12.215  -1.575  10.664
   72    HA   ARG  12           HA       ARG  12  10.914  -3.249  12.680
   73    HB2  ARG  12           HB2      ARG  12  13.826  -2.299  12.619
   74    HB3  ARG  12           HB3      ARG  12  13.112  -3.590  13.613
   75    HG2  ARG  12           HG2      ARG  12  12.420  -4.679  11.262
   76    HG3  ARG  12           HG3      ARG  12  13.589  -3.534  10.569
   77    HD2  ARG  12           HD2      ARG  12  14.783  -5.584  10.899
   78    HD3  ARG  12           HD3      ARG  12  15.336  -4.458  12.186
   79    HE   ARG  12           HE       ARG  12  13.121  -6.035  13.162
   80   HH11  ARG  12          HH11      ARG  12  16.565  -6.461  12.199
   81   HH12  ARG  12          HH12      ARG  12  16.756  -7.859  13.249
   82   HH21  ARG  12          HH21      ARG  12  13.460  -7.830  14.467
   83   HH22  ARG  12          HH22      ARG  12  15.037  -8.624  14.510
   84    H    GLY  13           H        GLY  13   9.359  -1.329  13.290
   85    HA2  GLY  13           HA3      GLY  13   8.738  -0.000  15.094
   86    HA3  GLY  13           HA2      GLY  13  10.251  -0.493  15.866
   87    H    ASP  14           H        ASP  14   8.888   1.855  13.388
   88    HA   ASP  14           HA       ASP  14  10.245   3.922  14.833
   89    HB2  ASP  14           HB2      ASP  14  12.056   2.793  13.146
   90    HB3  ASP  14           HB3      ASP  14  11.333   3.912  11.986
   91    H    THR  15           H        THR  15   9.090   3.449  11.366
   92    HA   THR  15           HA       THR  15   6.713   4.960  11.881
   93    HB   THR  15           HB       THR  15   8.006   6.975  11.927
   94    HG1  THR  15           HG1      THR  15   7.242   6.771   9.179
   95   HG21  THR  15          HG21      THR  15   9.673   5.894   9.568
   96   HG22  THR  15          HG22      THR  15  10.224   6.120  11.256
   97   HG23  THR  15          HG23      THR  15   9.795   7.538  10.263
   98    HA   PRO  16           HA       PRO  16   6.193   2.532   8.140
   99    HB2  PRO  16           HB2      PRO  16   3.749   3.394   7.163
  100    HB3  PRO  16           HB3      PRO  16   3.879   2.574   8.750
  101    HG2  PRO  16           HG2      PRO  16   3.908   5.594   8.260
  102    HG3  PRO  16           HG3      PRO  16   2.758   4.713   9.312
  103    HD2  PRO  16           HD2      PRO  16   4.992   5.874  10.384
  104    HD3  PRO  16           HD3      PRO  16   4.542   4.213  10.925
  105    H    ILE  17           H        ILE  17   6.324   2.720   5.717
  106    HA   ILE  17           HA       ILE  17   7.117   5.490   4.825
  107    HB   ILE  17           HB       ILE  17   8.280   2.813   3.919
  108   HG12  ILE  17          HG12      ILE  17   8.812   3.001   6.305
  109   HG13  ILE  17          HG13      ILE  17  10.257   3.162   5.300
  110   HG21  ILE  17          HG21      ILE  17  10.273   4.394   3.228
  111   HG22  ILE  17          HG22      ILE  17   8.838   4.412   2.209
  112   HG23  ILE  17          HG23      ILE  17   9.098   5.726   3.384
  113   HD11  ILE  17          HD11      ILE  17  10.121   5.720   5.617
  114   HD12  ILE  17          HD12      ILE  17   8.808   5.437   6.791
  115   HD13  ILE  17          HD13      ILE  17  10.431   4.785   7.101
  116    H    SER  18           H        SER  18   4.364   3.944   4.615
  117    HA   SER  18           HA       SER  18   3.875   4.669   1.884
  118    HB2  SER  18           HB2      SER  18   3.456   2.273   1.039
  119    HB3  SER  18           HB3      SER  18   5.170   2.674   1.217
  120    HG   SER  18           HG       SER  18   3.693   1.217   3.188
  121    H    PHE  19           H        PHE  19   1.560   4.181   1.236
  122    HA   PHE  19           HA       PHE  19  -0.107   3.094   3.431
  123    HB2  PHE  19           HB2      PHE  19  -0.461   5.917   2.267
  124    HB3  PHE  19           HB3      PHE  19  -1.487   5.185   3.512
  125    HD1  PHE  19           HD1      PHE  19   1.971   6.413   2.707
  126    HD2  PHE  19           HD2      PHE  19  -0.813   5.433   5.844
  127    HE1  PHE  19           HE1      PHE  19   3.576   7.242   4.392
  128    HE2  PHE  19           HE2      PHE  19   0.769   6.325   7.521
  129    HZ   PHE  19           HZ       PHE  19   2.941   7.293   6.791
  130    H    TYR  20           H        TYR  20  -2.609   3.318   2.645
  131    HA   TYR  20           HA       TYR  20  -2.685   1.325   0.625
  132    HB2  TYR  20           HB2      TYR  20  -4.857   3.272   1.615
  133    HB3  TYR  20           HB3      TYR  20  -5.188   1.908   0.522
  134    HD1  TYR  20           HD2      TYR  20  -2.697   0.873   2.998
  135    HD2  TYR  20           HD1      TYR  20  -6.900   1.595   2.417
  136    HE1  TYR  20           HE2      TYR  20  -3.205  -0.767   4.727
  137    HE2  TYR  20           HE1      TYR  20  -7.411  -0.035   4.203
  138    HH   TYR  20           HH       TYR  20  -4.914  -1.938   5.908
  139    H    GLY  21           H        GLY  21  -4.095   1.570  -1.547
  140    HA2  GLY  21           HA3      GLY  21  -2.756   3.586  -3.162
  141    HA3  GLY  21           HA2      GLY  21  -4.084   2.532  -3.688
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1   2.389  -0.060   0.953
    2    HA2  GLY   1           HA3      GLY   1   3.157  -0.401  -1.217
    3    HA3  GLY   1           HA2      GLY   1   1.701  -1.371  -1.522
    4    H    GLY   2           H        GLY   2   1.433   2.062  -0.376
    5    HA2  GLY   2           HA3      GLY   2   1.327   3.164  -3.063
    6    HA3  GLY   2           HA2      GLY   2  -0.297   2.833  -2.391
    7    H    ALA   3           H        ALA   3  -0.926   5.126  -2.027
    8    HA   ALA   3           HA       ALA   3   0.580   6.425   0.194
    9    HB1  ALA   3           HB1      ALA   3   0.878   8.517  -1.108
   10    HB2  ALA   3           HB2      ALA   3   1.723   7.157  -1.905
   11    HB3  ALA   3           HB3      ALA   3   0.154   7.730  -2.548
   12    H    GLY   4           H        GLY   4  -1.954   5.223   0.421
   13    HA2  GLY   4           HA3      GLY   4  -3.949   7.419   0.174
   14    HA3  GLY   4           HA2      GLY   4  -4.241   5.723   0.606
   15    H    HIS   5           H        HIS   5  -5.379   6.230   2.626
   16    HA   HIS   5           HA       HIS   5  -4.018   8.026   4.548
   17    HB2  HIS   5           HB2      HIS   5  -6.753   6.624   4.541
   18    HB3  HIS   5           HB3      HIS   5  -6.044   7.302   6.020
   19    HD1  HIS   5           HD1      HIS   5  -8.053   8.871   6.062
   20    HD2  HIS   5           HD2      HIS   5  -5.308   9.500   2.934
   21    HE1  HIS   5           HE1      HIS   5  -8.501  11.206   5.216
   22    H    VAL   6           H        VAL   6  -4.681   4.421   4.291
   23    HA   VAL   6           HA       VAL   6  -3.941   4.258   7.151
   24    HB   VAL   6           HB       VAL   6  -4.987   2.145   5.240
   25   HG11  VAL   6          HG11      VAL   6  -4.791   2.060   8.318
   26   HG12  VAL   6          HG12      VAL   6  -5.487   0.800   7.273
   27   HG13  VAL   6          HG13      VAL   6  -3.739   1.139   7.196
   28   HG21  VAL   6          HG21      VAL   6  -6.671   3.963   5.596
   29   HG22  VAL   6          HG22      VAL   6  -7.176   2.471   6.421
   30   HG23  VAL   6          HG23      VAL   6  -6.469   3.816   7.363
   31    HA   PRO   7           HA       PRO   7   0.187   3.076   5.688
   32    HB2  PRO   7           HB2      PRO   7   1.308   1.888   7.923
   33    HB3  PRO   7           HB3      PRO   7   1.041   3.651   7.745
   34    HG2  PRO   7           HG2      PRO   7  -0.814   1.664   9.115
   35    HG3  PRO   7           HG3      PRO   7  -0.189   3.211   9.785
   36    HD2  PRO   7           HD2      PRO   7  -2.661   3.116   8.702
   37    HD3  PRO   7           HD3      PRO   7  -1.609   4.525   8.284
   38    H    GLU   8           H        GLU   8   1.103   1.146   4.615
   39    HA   GLU   8           HA       GLU   8  -0.672  -1.217   4.664
   40    HB2  GLU   8           HB2      GLU   8   1.915  -0.750   3.104
   41    HB3  GLU   8           HB3      GLU   8   0.850  -2.166   2.942
   42    HG2  GLU   8           HG2      GLU   8  -1.033  -0.693   2.242
   43    HG3  GLU   8           HG3      GLU   8   0.034   0.728   2.345
   44    H    TYR   9           H        TYR   9   2.852  -0.437   5.377
   45    HA   TYR   9           HA       TYR   9   2.796  -2.539   7.467
   46    HB2  TYR   9           HB2      TYR   9   4.822  -3.660   6.417
   47    HB3  TYR   9           HB3      TYR   9   3.371  -3.787   5.409
   48    HD1  TYR   9           HD2      TYR   9   6.559  -1.830   5.880
   49    HD2  TYR   9           HD1      TYR   9   3.368  -2.833   3.175
   50    HE1  TYR   9           HE2      TYR   9   7.764  -0.712   4.049
   51    HE2  TYR   9           HE1      TYR   9   4.559  -1.678   1.346
   52    HH   TYR   9           HH       TYR   9   7.810  -0.260   1.698
   53    H    PHE  10           H        PHE  10   5.110  -2.583   8.578
   54    HA   PHE  10           HA       PHE  10   6.061   0.268   8.747
   55    HB2  PHE  10           HB2      PHE  10   5.459  -1.760  10.974
   56    HB3  PHE  10           HB3      PHE  10   6.307  -0.226  11.233
   57    HD1  PHE  10           HD1      PHE  10   3.053  -1.675   9.969
   58    HD2  PHE  10           HD2      PHE  10   5.058   1.855  11.405
   59    HE1  PHE  10           HE1      PHE  10   0.872  -0.544  10.252
   60    HE2  PHE  10           HE2      PHE  10   2.859   2.911  11.848
   61    HZ   PHE  10           HZ       PHE  10   0.768   1.672  11.368
   62    H    VAL  11           H        VAL  11   8.257   0.373   9.886
   63    HA   VAL  11           HA       VAL  11   9.980  -1.810   8.777
   64    HB   VAL  11           HB       VAL  11  11.820  -0.334   8.895
   65   HG11  VAL  11          HG11      VAL  11  10.115   0.292   7.123
   66   HG12  VAL  11          HG12      VAL  11   9.480   1.549   8.221
   67   HG13  VAL  11          HG13      VAL  11  11.153   1.653   7.630
   68   HG21  VAL  11          HG21      VAL  11  11.739   1.918  10.074
   69   HG22  VAL  11          HG22      VAL  11  10.204   1.399  10.829
   70   HG23  VAL  11          HG23      VAL  11  11.711   0.539  11.192
   71    H    ARG  12           H        ARG  12  12.065  -1.892  10.716
   72    HA   ARG  12           HA       ARG  12  10.659  -3.242  12.875
   73    HB2  ARG  12           HB2      ARG  12  13.648  -2.574  12.698
   74    HB3  ARG  12           HB3      ARG  12  12.830  -3.654  13.855
   75    HG2  ARG  12           HG2      ARG  12  11.936  -4.895  11.649
   76    HG3  ARG  12           HG3      ARG  12  13.255  -4.050  10.828
   77    HD2  ARG  12           HD2      ARG  12  14.915  -5.029  12.374
   78    HD3  ARG  12           HD3      ARG  12  13.689  -5.904  13.284
   79    HE   ARG  12           HE       ARG  12  14.848  -6.603  10.687
   80   HH11  ARG  12          HH11      ARG  12  11.818  -6.974  12.645
   81   HH12  ARG  12          HH12      ARG  12  11.341  -8.394  11.732
   82   HH21  ARG  12          HH21      ARG  12  14.133  -8.432   9.616
   83   HH22  ARG  12          HH22      ARG  12  12.620  -9.214  10.071
   84    H    GLY  13           H        GLY  13   9.247  -1.317  13.496
   85    HA2  GLY  13           HA3      GLY  13   8.754   0.132  15.245
   86    HA3  GLY  13           HA2      GLY  13  10.281  -0.392  15.970
   87    H    ASP  14           H        ASP  14   8.938   1.876  13.404
   88    HA   ASP  14           HA       ASP  14  10.412   3.973  14.711
   89    HB2  ASP  14           HB2      ASP  14  12.149   2.709  13.099
   90    HB3  ASP  14           HB3      ASP  14  11.378   3.661  11.826
   91    H    THR  15           H        THR  15   9.052   3.331  11.347
   92    HA   THR  15           HA       THR  15   6.818   5.029  11.810
   93    HB   THR  15           HB       THR  15   8.218   6.982  11.735
   94    HG1  THR  15           HG1      THR  15   7.631   7.869   9.621
   95   HG21  THR  15          HG21      THR  15   9.747   5.705   9.377
   96   HG22  THR  15          HG22      THR  15  10.362   5.913  11.042
   97   HG23  THR  15          HG23      THR  15  10.033   7.339  10.035
   98    HA   PRO  16           HA       PRO  16   6.123   2.544   8.134
   99    HB2  PRO  16           HB2      PRO  16   3.701   3.472   7.184
  100    HB3  PRO  16           HB3      PRO  16   3.829   2.704   8.798
  101    HG2  PRO  16           HG2      PRO  16   3.969   5.702   8.199
  102    HG3  PRO  16           HG3      PRO  16   2.809   4.905   9.306
  103    HD2  PRO  16           HD2      PRO  16   5.123   6.017  10.274
  104    HD3  PRO  16           HD3      PRO  16   4.609   4.410  10.906
  105    H    ILE  17           H        ILE  17   6.298   2.650   5.727
  106    HA   ILE  17           HA       ILE  17   7.140   5.375   4.745
  107    HB   ILE  17           HB       ILE  17   8.230   2.643   3.910
  108   HG12  ILE  17          HG12      ILE  17   8.774   2.876   6.292
  109   HG13  ILE  17          HG13      ILE  17  10.221   2.980   5.282
  110   HG21  ILE  17          HG21      ILE  17   9.165   5.516   3.331
  111   HG22  ILE  17          HG22      ILE  17  10.253   4.114   3.152
  112   HG23  ILE  17          HG23      ILE  17   8.799   4.221   2.164
  113   HD11  ILE  17          HD11      ILE  17  10.168   5.536   5.547
  114   HD12  ILE  17          HD12      ILE  17   8.819   5.335   6.698
  115   HD13  ILE  17          HD13      ILE  17  10.411   4.631   7.062
  116    H    SER  18           H        SER  18   4.348   3.850   4.614
  117    HA   SER  18           HA       SER  18   3.840   4.501   1.864
  118    HB2  SER  18           HB2      SER  18   3.409   2.086   1.100
  119    HB3  SER  18           HB3      SER  18   5.128   2.458   1.285
  120    HG   SER  18           HG       SER  18   3.615   1.096   3.298
  121    H    PHE  19           H        PHE  19   1.515   3.984   1.243
  122    HA   PHE  19           HA       PHE  19  -0.141   2.988   3.484
  123    HB2  PHE  19           HB2      PHE  19  -0.504   5.758   2.199
  124    HB3  PHE  19           HB3      PHE  19  -1.543   5.075   3.457
  125    HD1  PHE  19           HD1      PHE  19   1.921   6.284   2.647
  126    HD2  PHE  19           HD2      PHE  19  -0.887   5.408   5.787
  127    HE1  PHE  19           HE1      PHE  19   3.507   7.176   4.316
  128    HE2  PHE  19           HE2      PHE  19   0.675   6.361   7.446
  129    HZ   PHE  19           HZ       PHE  19   2.855   7.299   6.706
  130    H    TYR  20           H        TYR  20  -2.642   3.134   2.714
  131    HA   TYR  20           HA       TYR  20  -2.706   1.078   0.759
  132    HB2  TYR  20           HB2      TYR  20  -4.908   3.011   1.699
  133    HB3  TYR  20           HB3      TYR  20  -5.215   1.604   0.658
  134    HD1  TYR  20           HD2      TYR  20  -2.704   0.702   3.166
  135    HD2  TYR  20           HD1      TYR  20  -6.917   1.318   2.552
  136    HE1  TYR  20           HE2      TYR  20  -3.187  -0.838   4.992
  137    HE2  TYR  20           HE1      TYR  20  -7.400  -0.219   4.423
  138    HH   TYR  20           HH       TYR  20  -4.869  -1.911   6.292
  139    H    GLY  21           H        GLY  21  -4.137   1.243  -1.412
  140    HA2  GLY  21           HA3      GLY  21  -4.010   3.905  -2.665
  141    HA3  GLY  21           HA2      GLY  21  -2.842   2.715  -3.313
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1   2.425  -0.397   1.076
    2    HA2  GLY   1           HA3      GLY   1   3.170  -0.653  -1.105
    3    HA3  GLY   1           HA2      GLY   1   1.663  -1.546  -1.415
    4    H    GLY   2           H        GLY   2   1.438   1.886  -0.303
    5    HA2  GLY   2           HA3      GLY   2   1.513   2.967  -3.008
    6    HA3  GLY   2           HA2      GLY   2  -0.147   2.700  -2.398
    7    H    ALA   3           H        ALA   3  -0.692   5.033  -2.128
    8    HA   ALA   3           HA       ALA   3   0.759   6.322   0.134
    9    HB1  ALA   3           HB1      ALA   3   0.492   7.583  -2.654
   10    HB2  ALA   3           HB2      ALA   3   1.177   8.378  -1.200
   11    HB3  ALA   3           HB3      ALA   3   2.014   6.979  -1.934
   12    H    GLY   4           H        GLY   4  -1.782   5.222   0.335
   13    HA2  GLY   4           HA3      GLY   4  -3.728   7.445  -0.056
   14    HA3  GLY   4           HA2      GLY   4  -4.067   5.768   0.412
   15    H    HIS   5           H        HIS   5  -5.227   6.340   2.409
   16    HA   HIS   5           HA       HIS   5  -3.859   8.157   4.316
   17    HB2  HIS   5           HB2      HIS   5  -6.643   6.846   4.278
   18    HB3  HIS   5           HB3      HIS   5  -5.937   7.523   5.760
   19    HD1  HIS   5           HD1      HIS   5  -7.804   9.217   5.805
   20    HD2  HIS   5           HD2      HIS   5  -5.124   9.590   2.581
   21    HE1  HIS   5           HE1      HIS   5  -8.159  11.541   4.886
   22    H    VAL   6           H        VAL   6  -4.652   4.574   4.133
   23    HA   VAL   6           HA       VAL   6  -3.989   4.464   7.009
   24    HB   VAL   6           HB       VAL   6  -5.046   2.339   5.121
   25   HG11  VAL   6          HG11      VAL   6  -5.635   1.042   7.162
   26   HG12  VAL   6          HG12      VAL   6  -3.877   1.322   7.128
   27   HG13  VAL   6          HG13      VAL   6  -4.928   2.298   8.202
   28   HG21  VAL   6          HG21      VAL   6  -6.685   4.220   5.411
   29   HG22  VAL   6          HG22      VAL   6  -7.254   2.757   6.244
   30   HG23  VAL   6          HG23      VAL   6  -6.524   4.090   7.182
   31    HA   PRO   7           HA       PRO   7   0.151   3.127   5.716
   32    HB2  PRO   7           HB2      PRO   7   1.157   1.938   8.013
   33    HB3  PRO   7           HB3      PRO   7   0.963   3.704   7.796
   34    HG2  PRO   7           HG2      PRO   7  -1.018   1.816   9.136
   35    HG3  PRO   7           HG3      PRO   7  -0.365   3.359   9.792
   36    HD2  PRO   7           HD2      PRO   7  -2.797   3.318   8.623
   37    HD3  PRO   7           HD3      PRO   7  -1.683   4.682   8.212
   38    H    GLU   8           H        GLU   8   1.048   1.152   4.713
   39    HA   GLU   8           HA       GLU   8  -0.799  -1.160   4.718
   40    HB2  GLU   8           HB2      GLU   8   1.857  -0.781   3.269
   41    HB3  GLU   8           HB3      GLU   8   0.762  -2.176   3.077
   42    HG2  GLU   8           HG2      GLU   8  -1.064  -0.642   2.297
   43    HG3  GLU   8           HG3      GLU   8   0.056   0.735   2.434
   44    H    TYR   9           H        TYR   9   2.717  -0.463   5.587
   45    HA   TYR   9           HA       TYR   9   2.513  -2.542   7.693
   46    HB2  TYR   9           HB2      TYR   9   4.545  -3.739   6.722
   47    HB3  TYR   9           HB3      TYR   9   3.123  -3.835   5.668
   48    HD1  TYR   9           HD2      TYR   9   6.333  -1.926   6.227
   49    HD2  TYR   9           HD1      TYR   9   3.245  -2.951   3.409
   50    HE1  TYR   9           HE2      TYR   9   7.598  -0.806   4.422
   51    HE2  TYR   9           HE1      TYR   9   4.514  -1.855   1.612
   52    HH   TYR   9           HH       TYR   9   6.454  -0.601   1.041
   53    H    PHE  10           H        PHE  10   4.780  -2.656   8.880
   54    HA   PHE  10           HA       PHE  10   5.894   0.139   9.002
   55    HB2  PHE  10           HB2      PHE  10   5.087  -1.763  11.290
   56    HB3  PHE  10           HB3      PHE  10   5.991  -0.253  11.511
   57    HD1  PHE  10           HD1      PHE  10   2.723  -1.647  10.228
   58    HD2  PHE  10           HD2      PHE  10   4.825   1.908  11.441
   59    HE1  PHE  10           HE1      PHE  10   0.573  -0.439  10.427
   60    HE2  PHE  10           HE2      PHE  10   2.655   3.061  11.787
   61    HZ   PHE  10           HZ       PHE  10   0.528   1.842  11.409
   62    H    VAL  11           H        VAL  11   8.037   0.128  10.265
   63    HA   VAL  11           HA       VAL  11   9.649  -2.171   9.235
   64    HB   VAL  11           HB       VAL  11  11.574  -0.800   9.415
   65   HG11  VAL  11          HG11      VAL  11   9.996  -0.117   7.551
   66   HG12  VAL  11          HG12      VAL  11   9.387   1.198   8.593
   67   HG13  VAL  11          HG13      VAL  11  11.099   1.165   8.110
   68   HG21  VAL  11          HG21      VAL  11   9.989   1.079  11.248
   69   HG22  VAL  11          HG22      VAL  11  11.400   0.118  11.717
   70   HG23  VAL  11          HG23      VAL  11  11.598   1.452  10.567
   71    H    ARG  12           H        ARG  12  11.685  -2.355  11.147
   72    HA   ARG  12           HA       ARG  12  10.310  -3.597  13.387
   73    HB2  ARG  12           HB2      ARG  12  13.270  -2.897  13.022
   74    HB3  ARG  12           HB3      ARG  12  12.591  -3.937  14.289
   75    HG2  ARG  12           HG2      ARG  12  12.710  -5.768  12.883
   76    HG3  ARG  12           HG3      ARG  12  11.613  -4.980  11.732
   77    HD2  ARG  12           HD2      ARG  12  13.554  -3.833  10.657
   78    HD3  ARG  12           HD3      ARG  12  14.664  -4.652  11.816
   79    HE   ARG  12           HE       ARG  12  13.098  -6.662  10.532
   80   HH11  ARG  12          HH11      ARG  12  15.639  -4.249   9.683
   81   HH12  ARG  12          HH12      ARG  12  16.235  -5.243   8.360
   82   HH21  ARG  12          HH21      ARG  12  13.940  -7.859   8.824
   83   HH22  ARG  12          HH22      ARG  12  15.301  -7.246   7.882
   84    H    GLY  13           H        GLY  13   8.963  -1.514  13.890
   85    HA2  GLY  13           HA3      GLY  13   8.556   0.039  15.568
   86    HA3  GLY  13           HA2      GLY  13  10.065  -0.505  16.312
   87    H    ASP  14           H        ASP  14   8.799   1.684  13.632
   88    HA   ASP  14           HA       ASP  14  10.300   3.771  14.906
   89    HB2  ASP  14           HB2      ASP  14  12.067   2.536  13.358
   90    HB3  ASP  14           HB3      ASP  14  11.288   3.402  12.027
   91    H    THR  15           H        THR  15   9.027   3.184  11.482
   92    HA   THR  15           HA       THR  15   6.733   4.742  12.000
   93    HB   THR  15           HB       THR  15   9.079   6.356  11.659
   94    HG1  THR  15           HG1      THR  15   7.040   7.075  12.626
   95   HG21  THR  15          HG21      THR  15   9.053   5.908   9.175
   96   HG22  THR  15          HG22      THR  15   8.799   7.622   9.613
   97   HG23  THR  15          HG23      THR  15   7.414   6.634   9.101
   98    HA   PRO  16           HA       PRO  16   5.987   2.403   8.311
   99    HB2  PRO  16           HB2      PRO  16   3.737   3.551   7.173
  100    HB3  PRO  16           HB3      PRO  16   3.684   2.846   8.819
  101    HG2  PRO  16           HG2      PRO  16   4.224   5.779   8.118
  102    HG3  PRO  16           HG3      PRO  16   2.894   5.175   9.159
  103    HD2  PRO  16           HD2      PRO  16   5.259   6.038  10.288
  104    HD3  PRO  16           HD3      PRO  16   4.508   4.519  10.903
  105    H    ILE  17           H        ILE  17   6.080   2.432   5.838
  106    HA   ILE  17           HA       ILE  17   7.002   5.054   4.715
  107    HB   ILE  17           HB       ILE  17   8.423   2.411   4.114
  108   HG12  ILE  17          HG12      ILE  17   9.288   4.512   6.188
  109   HG13  ILE  17          HG13      ILE  17   8.780   2.835   6.524
  110   HG21  ILE  17          HG21      ILE  17   8.532   4.513   2.490
  111   HG22  ILE  17          HG22      ILE  17   9.471   5.295   3.774
  112   HG23  ILE  17          HG23      ILE  17  10.075   3.809   2.980
  113   HD11  ILE  17          HD11      ILE  17  11.225   3.007   6.605
  114   HD12  ILE  17          HD12      ILE  17  10.747   1.952   5.239
  115   HD13  ILE  17          HD13      ILE  17  11.319   3.625   4.952
  116    H    SER  18           H        SER  18   4.388   4.193   4.502
  117    HA   SER  18           HA       SER  18   3.911   4.261   1.807
  118    HB2  SER  18           HB2      SER  18   3.165   1.792   1.353
  119    HB3  SER  18           HB3      SER  18   4.889   2.093   1.221
  120    HG   SER  18           HG       SER  18   3.650   1.016   3.582
  121    H    PHE  19           H        PHE  19   1.571   3.880   1.262
  122    HA   PHE  19           HA       PHE  19  -0.139   3.013   3.508
  123    HB2  PHE  19           HB2      PHE  19  -0.391   5.764   2.143
  124    HB3  PHE  19           HB3      PHE  19  -1.491   5.144   3.383
  125    HD1  PHE  19           HD1      PHE  19   2.040   6.232   2.651
  126    HD2  PHE  19           HD2      PHE  19  -0.870   5.478   5.730
  127    HE1  PHE  19           HE1      PHE  19   3.599   7.125   4.347
  128    HE2  PHE  19           HE2      PHE  19   0.670   6.423   7.415
  129    HZ   PHE  19           HZ       PHE  19   2.891   7.297   6.721
  130    H    TYR  20           H        TYR  20  -2.627   3.221   2.639
  131    HA   TYR  20           HA       TYR  20  -2.680   1.119   0.722
  132    HB2  TYR  20           HB2      TYR  20  -4.853   3.145   1.544
  133    HB3  TYR  20           HB3      TYR  20  -5.167   1.728   0.522
  134    HD1  TYR  20           HD1      TYR  20  -2.759   0.785   3.124
  135    HD2  TYR  20           HD2      TYR  20  -6.931   1.552   2.389
  136    HE1  TYR  20           HE1      TYR  20  -3.347  -0.704   4.958
  137    HE2  TYR  20           HE2      TYR  20  -7.519   0.062   4.269
  138    HH   TYR  20           HH       TYR  20  -5.096  -1.722   6.204
  139    H    GLY  21           H        GLY  21  -4.124   1.408  -1.529
  140    HA2  GLY  21           HA3      GLY  21  -2.592   2.905  -3.303
  141    HA3  GLY  21           HA2      GLY  21  -4.308   2.514  -3.585
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1   2.615  -0.224   0.989
    2    HA2  GLY   1           HA3      GLY   1   3.312  -0.286  -1.220
    3    HA3  GLY   1           HA2      GLY   1   1.882  -1.306  -1.500
    4    H    GLY   2           H        GLY   2   1.464   2.114  -0.327
    5    HA2  GLY   2           HA3      GLY   2   1.327   3.212  -3.032
    6    HA3  GLY   2           HA2      GLY   2  -0.274   2.833  -2.325
    7    H    ALA   3           H        ALA   3  -0.935   5.139  -2.012
    8    HA   ALA   3           HA       ALA   3   0.544   6.482   0.199
    9    HB1  ALA   3           HB1      ALA   3   0.091   7.757  -2.557
   10    HB2  ALA   3           HB2      ALA   3   0.798   8.568  -1.124
   11    HB3  ALA   3           HB3      ALA   3   1.669   7.218  -1.909
   12    H    GLY   4           H        GLY   4  -1.978   5.233   0.414
   13    HA2  GLY   4           HA3      GLY   4  -4.011   7.388   0.130
   14    HA3  GLY   4           HA2      GLY   4  -4.275   5.691   0.562
   15    H    HIS   5           H        HIS   5  -5.431   6.137   2.565
   16    HA   HIS   5           HA       HIS   5  -4.211   8.044   4.475
   17    HB2  HIS   5           HB2      HIS   5  -6.927   6.658   4.275
   18    HB3  HIS   5           HB3      HIS   5  -6.329   7.113   5.876
   19    HD1  HIS   5           HD1      HIS   5  -6.329   8.952   2.538
   20    HD2  HIS   5           HD2      HIS   5  -7.226   9.425   6.620
   21    HE1  HIS   5           HE1      HIS   5  -7.125  11.349   2.801
   22    H    VAL   6           H        VAL   6  -4.682   4.412   4.268
   23    HA   VAL   6           HA       VAL   6  -3.969   4.330   7.145
   24    HB   VAL   6           HB       VAL   6  -4.994   2.181   5.258
   25   HG11  VAL   6          HG11      VAL   6  -5.464   0.825   7.293
   26   HG12  VAL   6          HG12      VAL   6  -3.723   1.184   7.208
   27   HG13  VAL   6          HG13      VAL   6  -4.780   2.095   8.329
   28   HG21  VAL   6          HG21      VAL   6  -7.184   2.493   6.446
   29   HG22  VAL   6          HG22      VAL   6  -6.477   3.833   7.392
   30   HG23  VAL   6          HG23      VAL   6  -6.696   3.995   5.630
   31    HA   PRO   7           HA       PRO   7   0.182   3.205   5.715
   32    HB2  PRO   7           HB2      PRO   7   1.303   2.010   7.956
   33    HB3  PRO   7           HB3      PRO   7   1.017   3.769   7.785
   34    HG2  PRO   7           HG2      PRO   7  -0.846   1.753   9.116
   35    HG3  PRO   7           HG3      PRO   7  -0.234   3.294   9.814
   36    HD2  PRO   7           HD2      PRO   7  -2.688   3.207   8.715
   37    HD3  PRO   7           HD3      PRO   7  -1.641   4.616   8.293
   38    H    GLU   8           H        GLU   8   1.216   1.289   4.710
   39    HA   GLU   8           HA       GLU   8  -0.518  -1.110   4.680
   40    HB2  GLU   8           HB2      GLU   8   2.098  -0.567   3.206
   41    HB3  GLU   8           HB3      GLU   8   1.064  -2.003   2.988
   42    HG2  GLU   8           HG2      GLU   8  -0.834  -0.535   2.270
   43    HG3  GLU   8           HG3      GLU   8   0.227   0.888   2.416
   44    H    TYR   9           H        TYR   9   2.977  -0.258   5.528
   45    HA   TYR   9           HA       TYR   9   2.877  -2.364   7.599
   46    HB2  TYR   9           HB2      TYR   9   4.875  -3.549   6.567
   47    HB3  TYR   9           HB3      TYR   9   3.443  -3.616   5.533
   48    HD1  TYR   9           HD2      TYR   9   6.675  -1.761   6.093
   49    HD2  TYR   9           HD1      TYR   9   3.542  -2.675   3.295
   50    HE1  TYR   9           HE2      TYR   9   7.947  -0.645   4.312
   51    HE2  TYR   9           HE1      TYR   9   4.814  -1.543   1.507
   52    HH   TYR   9           HH       TYR   9   8.024  -0.061   1.999
   53    H    PHE  10           H        PHE  10   5.217  -2.478   8.686
   54    HA   PHE  10           HA       PHE  10   6.239   0.341   8.910
   55    HB2  PHE  10           HB2      PHE  10   5.536  -1.692  11.116
   56    HB3  PHE  10           HB3      PHE  10   6.287  -0.120  11.419
   57    HD1  PHE  10           HD1      PHE  10   3.159  -1.765  10.166
   58    HD2  PHE  10           HD2      PHE  10   4.994   1.974  11.245
   59    HE1  PHE  10           HE1      PHE  10   0.927  -0.715  10.346
   60    HE2  PHE  10           HE2      PHE  10   2.747   2.968  11.587
   61    HZ   PHE  10           HZ       PHE  10   0.717   1.588  11.245
   62    H    VAL  11           H        VAL  11   8.383   0.154  10.433
   63    HA   VAL  11           HA       VAL  11  10.037  -1.966   9.094
   64    HB   VAL  11           HB       VAL  11  11.468   0.322  10.400
   65   HG11  VAL  11          HG11      VAL  11  12.872   0.193   8.358
   66   HG12  VAL  11          HG12      VAL  11  12.560  -1.483   8.859
   67   HG13  VAL  11          HG13      VAL  11  11.634  -0.779   7.516
   68   HG21  VAL  11          HG21      VAL  11  11.136   1.948   8.548
   69   HG22  VAL  11          HG22      VAL  11   9.774   0.959   7.929
   70   HG23  VAL  11          HG23      VAL  11   9.693   1.757   9.526
   71    H    ARG  12           H        ARG  12  12.221  -1.821  11.129
   72    HA   ARG  12           HA       ARG  12  10.851  -3.376  13.209
   73    HB2  ARG  12           HB2      ARG  12  13.770  -2.451  12.981
   74    HB3  ARG  12           HB3      ARG  12  13.130  -3.585  14.194
   75    HG2  ARG  12           HG2      ARG  12  13.242  -4.069  11.142
   76    HG3  ARG  12           HG3      ARG  12  14.319  -4.760  12.371
   77    HD2  ARG  12           HD2      ARG  12  12.275  -5.813  13.482
   78    HD3  ARG  12           HD3      ARG  12  11.316  -5.443  12.056
   79    HE   ARG  12           HE       ARG  12  13.402  -7.492  12.417
   80   HH11  ARG  12          HH11      ARG  12  11.811  -5.477   9.865
   81   HH12  ARG  12          HH12      ARG  12  12.236  -6.632   8.612
   82   HH21  ARG  12          HH21      ARG  12  13.891  -8.879  10.732
   83   HH22  ARG  12          HH22      ARG  12  13.383  -8.511   9.083
   84    H    GLY  13           H        GLY  13   9.342  -1.412  13.732
   85    HA2  GLY  13           HA3      GLY  13   8.798   0.126  15.401
   86    HA3  GLY  13           HA2      GLY  13  10.316  -0.325  16.193
   87    H    ASP  14           H        ASP  14   8.937   1.748  13.499
   88    HA   ASP  14           HA       ASP  14  10.711   3.891  14.425
   89    HB2  ASP  14           HB2      ASP  14  12.309   2.746  12.974
   90    HB3  ASP  14           HB3      ASP  14  11.129   2.631  11.657
   91    H    THR  15           H        THR  15   8.863   3.180  11.340
   92    HA   THR  15           HA       THR  15   6.666   4.803  11.924
   93    HB   THR  15           HB       THR  15   7.672   6.661  10.004
   94    HG1  THR  15           HG1      THR  15   9.862   5.892  10.441
   95   HG21  THR  15          HG21      THR  15   7.703   8.362  11.738
   96   HG22  THR  15          HG22      THR  15   7.642   7.158  13.039
   97   HG23  THR  15          HG23      THR  15   6.259   7.339  11.942
   98    HA   PRO  16           HA       PRO  16   5.998   2.572   8.141
   99    HB2  PRO  16           HB2      PRO  16   3.696   3.647   7.053
  100    HB3  PRO  16           HB3      PRO  16   3.685   2.907   8.683
  101    HG2  PRO  16           HG2      PRO  16   4.091   5.876   8.059
  102    HG3  PRO  16           HG3      PRO  16   2.798   5.195   9.095
  103    HD2  PRO  16           HD2      PRO  16   5.144   6.128  10.183
  104    HD3  PRO  16           HD3      PRO  16   4.457   4.589  10.823
  105    H    ILE  17           H        ILE  17   6.035   2.729   5.661
  106    HA   ILE  17           HA       ILE  17   6.985   5.402   4.691
  107    HB   ILE  17           HB       ILE  17   8.287   2.784   3.803
  108   HG12  ILE  17          HG12      ILE  17   9.249   4.486   6.170
  109   HG13  ILE  17          HG13      ILE  17   8.657   2.806   6.236
  110   HG21  ILE  17          HG21      ILE  17   9.475   5.632   3.882
  111   HG22  ILE  17          HG22      ILE  17  10.049   4.243   2.911
  112   HG23  ILE  17          HG23      ILE  17   8.546   5.064   2.480
  113   HD11  ILE  17          HD11      ILE  17  10.570   2.077   4.735
  114   HD12  ILE  17          HD12      ILE  17  11.256   3.729   4.861
  115   HD13  ILE  17          HD13      ILE  17  11.095   2.728   6.308
  116    H    SER  18           H        SER  18   4.290   4.296   4.504
  117    HA   SER  18           HA       SER  18   3.784   4.535   1.772
  118    HB2  SER  18           HB2      SER  18   3.226   2.009   1.284
  119    HB3  SER  18           HB3      SER  18   4.924   2.449   1.157
  120    HG   SER  18           HG       SER  18   3.799   1.253   3.509
  121    H    PHE  19           H        PHE  19   1.459   4.057   1.252
  122    HA   PHE  19           HA       PHE  19  -0.169   3.066   3.511
  123    HB2  PHE  19           HB2      PHE  19  -0.566   5.825   2.204
  124    HB3  PHE  19           HB3      PHE  19  -1.608   5.137   3.454
  125    HD1  PHE  19           HD1      PHE  19   1.865   6.355   2.667
  126    HD2  PHE  19           HD2      PHE  19  -0.983   5.524   5.782
  127    HE1  PHE  19           HE1      PHE  19   3.426   7.275   4.342
  128    HE2  PHE  19           HE2      PHE  19   0.561   6.493   7.447
  129    HZ   PHE  19           HZ       PHE  19   2.744   7.429   6.723
  130    H    TYR  20           H        TYR  20  -2.668   3.138   2.741
  131    HA   TYR  20           HA       TYR  20  -2.663   1.076   0.797
  132    HB2  TYR  20           HB2      TYR  20  -4.935   2.948   1.710
  133    HB3  TYR  20           HB3      TYR  20  -5.197   1.511   0.701
  134    HD1  TYR  20           HD2      TYR  20  -2.653   0.694   3.194
  135    HD2  TYR  20           HD1      TYR  20  -6.882   1.251   2.629
  136    HE1  TYR  20           HE2      TYR  20  -3.094  -0.843   5.031
  137    HE2  TYR  20           HE1      TYR  20  -7.320  -0.270   4.522
  138    HH   TYR  20           HH       TYR  20  -4.746  -1.989   6.306
  139    H    GLY  21           H        GLY  21  -4.081   1.171  -1.384
  140    HA2  GLY  21           HA3      GLY  21  -4.311   3.752  -2.618
  141    HA3  GLY  21           HA2      GLY  21  -2.809   2.952  -3.166
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   2.586  -0.168   0.870
    2    HA2  GLY   1           HA3      GLY   1   3.269  -0.144  -1.343
    3    HA3  GLY   1           HA2      GLY   1   1.865  -1.198  -1.632
    4    H    GLY   2           H        GLY   2   1.472   2.217  -0.402
    5    HA2  GLY   2           HA3      GLY   2   1.215   3.346  -3.074
    6    HA3  GLY   2           HA2      GLY   2  -0.362   2.930  -2.336
    7    H    ALA   3           H        ALA   3  -1.053   5.222  -1.971
    8    HA   ALA   3           HA       ALA   3   0.446   6.540   0.240
    9    HB1  ALA   3           HB1      ALA   3   0.676   8.651  -1.046
   10    HB2  ALA   3           HB2      ALA   3   1.545   7.319  -1.862
   11    HB3  ALA   3           HB3      ALA   3  -0.040   7.863  -2.487
   12    H    GLY   4           H        GLY   4  -2.082   5.277   0.451
   13    HA2  GLY   4           HA3      GLY   4  -4.113   7.442   0.255
   14    HA3  GLY   4           HA2      GLY   4  -4.374   5.739   0.668
   15    H    HIS   5           H        HIS   5  -5.505   6.199   2.705
   16    HA   HIS   5           HA       HIS   5  -4.162   7.999   4.645
   17    HB2  HIS   5           HB2      HIS   5  -6.882   6.553   4.634
   18    HB3  HIS   5           HB3      HIS   5  -6.187   7.278   6.097
   19    HD1  HIS   5           HD1      HIS   5  -8.311   8.738   6.020
   20    HD2  HIS   5           HD2      HIS   5  -5.417   9.498   3.058
   21    HE1  HIS   5           HE1      HIS   5  -8.803  11.062   5.152
   22    H    VAL   6           H        VAL   6  -4.728   4.386   4.313
   23    HA   VAL   6           HA       VAL   6  -4.000   4.195   7.177
   24    HB   VAL   6           HB       VAL   6  -5.012   2.100   5.226
   25   HG11  VAL   6          HG11      VAL   6  -5.475   0.695   7.243
   26   HG12  VAL   6          HG12      VAL   6  -3.735   1.057   7.151
   27   HG13  VAL   6          HG13      VAL   6  -4.784   1.945   8.297
   28   HG21  VAL   6          HG21      VAL   6  -6.505   3.684   7.401
   29   HG22  VAL   6          HG22      VAL   6  -6.728   3.886   5.643
   30   HG23  VAL   6          HG23      VAL   6  -7.203   2.361   6.423
   31    HA   PRO   7           HA       PRO   7   0.154   3.156   5.681
   32    HB2  PRO   7           HB2      PRO   7   1.319   1.949   7.894
   33    HB3  PRO   7           HB3      PRO   7   1.003   3.704   7.751
   34    HG2  PRO   7           HG2      PRO   7  -0.810   1.642   9.080
   35    HG3  PRO   7           HG3      PRO   7  -0.220   3.190   9.782
   36    HD2  PRO   7           HD2      PRO   7  -2.687   3.055   8.711
   37    HD3  PRO   7           HD3      PRO   7  -1.678   4.496   8.305
   38    H    GLU   8           H        GLU   8   1.184   1.279   4.618
   39    HA   GLU   8           HA       GLU   8  -0.518  -1.137   4.560
   40    HB2  GLU   8           HB2      GLU   8   2.083  -0.524   3.082
   41    HB3  GLU   8           HB3      GLU   8   1.078  -1.979   2.848
   42    HG2  GLU   8           HG2      GLU   8  -0.852  -0.545   2.158
   43    HG3  GLU   8           HG3      GLU   8   0.169   0.902   2.335
   44    H    TYR   9           H        TYR   9   2.967  -0.269   5.408
   45    HA   TYR   9           HA       TYR   9   2.886  -2.411   7.444
   46    HB2  TYR   9           HB2      TYR   9   4.909  -3.546   6.413
   47    HB3  TYR   9           HB3      TYR   9   3.488  -3.621   5.364
   48    HD1  TYR   9           HD2      TYR   9   6.701  -1.757   5.971
   49    HD2  TYR   9           HD1      TYR   9   3.562  -2.598   3.157
   50    HE1  TYR   9           HE2      TYR   9   7.994  -0.641   4.203
   51    HE2  TYR   9           HE1      TYR   9   4.845  -1.448   1.388
   52    HH   TYR   9           HH       TYR   9   8.118  -0.126   1.866
   53    H    PHE  10           H        PHE  10   5.194  -2.505   8.562
   54    HA   PHE  10           HA       PHE  10   6.155   0.333   8.863
   55    HB2  PHE  10           HB2      PHE  10   5.469  -1.797  10.985
   56    HB3  PHE  10           HB3      PHE  10   6.242  -0.253  11.360
   57    HD1  PHE  10           HD1      PHE  10   3.090  -1.779  10.002
   58    HD2  PHE  10           HD2      PHE  10   4.980   1.850  11.327
   59    HE1  PHE  10           HE1      PHE  10   0.873  -0.706  10.240
   60    HE2  PHE  10           HE2      PHE  10   2.748   2.868  11.702
   61    HZ   PHE  10           HZ       PHE  10   0.697   1.541  11.280
   62    H    VAL  11           H        VAL  11   8.296   0.199  10.336
   63    HA   VAL  11           HA       VAL  11   9.991  -1.966   9.122
   64    HB   VAL  11           HB       VAL  11  11.429   0.384  10.270
   65   HG11  VAL  11          HG11      VAL  11  12.768   0.192   8.187
   66   HG12  VAL  11          HG12      VAL  11  12.491  -1.459   8.784
   67   HG13  VAL  11          HG13      VAL  11  11.517  -0.834   7.433
   68   HG21  VAL  11          HG21      VAL  11  11.042   1.953   8.376
   69   HG22  VAL  11          HG22      VAL  11   9.675   0.940   7.815
   70   HG23  VAL  11          HG23      VAL  11   9.618   1.782   9.390
   71    H    ARG  12           H        ARG  12  12.136  -1.796  11.066
   72    HA   ARG  12           HA       ARG  12  10.768  -3.180  13.247
   73    HB2  ARG  12           HB2      ARG  12  13.698  -2.413  12.783
   74    HB3  ARG  12           HB3      ARG  12  13.152  -3.352  14.186
   75    HG2  ARG  12           HG2      ARG  12  12.436  -4.318  11.366
   76    HG3  ARG  12           HG3      ARG  12  14.050  -4.636  12.026
   77    HD2  ARG  12           HD2      ARG  12  13.156  -6.035  13.831
   78    HD3  ARG  12           HD3      ARG  12  11.558  -5.353  13.653
   79    HE   ARG  12           HE       ARG  12  10.971  -6.789  11.999
   80   HH11  ARG  12          HH11      ARG  12  14.573  -6.919  12.297
   81   HH12  ARG  12          HH12      ARG  12  14.667  -8.298  11.213
   82   HH21  ARG  12          HH21      ARG  12  11.218  -8.542  10.637
   83   HH22  ARG  12          HH22      ARG  12  12.819  -9.200  10.294
   84    H    GLY  13           H        GLY  13   9.317  -1.250  13.793
   85    HA2  GLY  13           HA3      GLY  13   8.810   0.334  15.424
   86    HA3  GLY  13           HA2      GLY  13  10.328  -0.138  16.205
   87    H    ASP  14           H        ASP  14   9.000   1.908  13.445
   88    HA   ASP  14           HA       ASP  14  10.764   4.060  14.362
   89    HB2  ASP  14           HB2      ASP  14  12.366   2.737  13.027
   90    HB3  ASP  14           HB3      ASP  14  11.263   2.707  11.643
   91    H    THR  15           H        THR  15   9.035   3.298  11.203
   92    HA   THR  15           HA       THR  15   6.841   4.941  11.770
   93    HB   THR  15           HB       THR  15   8.107   6.983  11.769
   94    HG1  THR  15           HG1      THR  15   7.261   6.802   9.047
   95   HG21  THR  15          HG21      THR  15   9.710   5.912   9.363
   96   HG22  THR  15          HG22      THR  15  10.313   6.176  11.025
   97   HG23  THR  15          HG23      THR  15   9.831   7.566  10.028
   98    HA   PRO  16           HA       PRO  16   6.101   2.591   8.048
   99    HB2  PRO  16           HB2      PRO  16   3.704   3.611   7.073
  100    HB3  PRO  16           HB3      PRO  16   3.788   2.776   8.655
  101    HG2  PRO  16           HG2      PRO  16   4.024   5.796   8.203
  102    HG3  PRO  16           HG3      PRO  16   2.809   4.980   9.238
  103    HD2  PRO  16           HD2      PRO  16   5.100   5.969  10.342
  104    HD3  PRO  16           HD3      PRO  16   4.581   4.323  10.844
  105    H    ILE  17           H        ILE  17   6.061   2.807   5.579
  106    HA   ILE  17           HA       ILE  17   6.883   5.540   4.655
  107    HB   ILE  17           HB       ILE  17   8.294   2.993   3.720
  108   HG12  ILE  17          HG12      ILE  17   9.175   4.693   6.121
  109   HG13  ILE  17          HG13      ILE  17   8.664   2.985   6.155
  110   HG21  ILE  17          HG21      ILE  17   9.996   4.540   2.861
  111   HG22  ILE  17          HG22      ILE  17   8.457   5.293   2.431
  112   HG23  ILE  17          HG23      ILE  17   9.352   5.889   3.845
  113   HD11  ILE  17          HD11      ILE  17  10.613   2.375   4.652
  114   HD12  ILE  17          HD12      ILE  17  11.220   4.054   4.812
  115   HD13  ILE  17          HD13      ILE  17  11.095   3.021   6.242
  116    H    SER  18           H        SER  18   4.238   4.332   4.470
  117    HA   SER  18           HA       SER  18   3.721   4.590   1.732
  118    HB2  SER  18           HB2      SER  18   3.214   2.054   1.243
  119    HB3  SER  18           HB3      SER  18   4.906   2.524   1.129
  120    HG   SER  18           HG       SER  18   3.784   1.305   3.470
  121    H    PHE  19           H        PHE  19   1.400   4.116   1.230
  122    HA   PHE  19           HA       PHE  19  -0.208   3.062   3.473
  123    HB2  PHE  19           HB2      PHE  19  -0.638   5.849   2.238
  124    HB3  PHE  19           HB3      PHE  19  -1.664   5.120   3.479
  125    HD1  PHE  19           HD1      PHE  19   1.793   6.392   2.699
  126    HD2  PHE  19           HD2      PHE  19  -1.025   5.459   5.811
  127    HE1  PHE  19           HE1      PHE  19   3.366   7.267   4.388
  128    HE2  PHE  19           HE2      PHE  19   0.526   6.391   7.491
  129    HZ   PHE  19           HZ       PHE  19   2.711   7.335   6.780
  130    H    TYR  20           H        TYR  20  -2.715   3.133   2.716
  131    HA   TYR  20           HA       TYR  20  -2.671   1.102   0.743
  132    HB2  TYR  20           HB2      TYR  20  -4.987   2.908   1.682
  133    HB3  TYR  20           HB3      TYR  20  -5.214   1.482   0.651
  134    HD1  TYR  20           HD1      TYR  20  -2.652   0.686   3.129
  135    HD2  TYR  20           HD2      TYR  20  -6.894   1.147   2.570
  136    HE1  TYR  20           HE1      TYR  20  -3.054  -0.867   4.961
  137    HE2  TYR  20           HE2      TYR  20  -7.293  -0.395   4.455
  138    HH   TYR  20           HH       TYR  20  -4.682  -1.967   6.313
  139    H    GLY  21           H        GLY  21  -4.034   1.158  -1.428
  140    HA2  GLY  21           HA3      GLY  21  -3.007   3.343  -3.063
  141    HA3  GLY  21           HA2      GLY  21  -4.146   2.080  -3.576
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1   2.406  -0.217   0.826
    2    HA2  GLY   1           HA3      GLY   1   3.071  -0.351  -1.391
    3    HA3  GLY   1           HA2      GLY   1   1.607  -1.326  -1.660
    4    H    GLY   2           H        GLY   2   1.448   2.106  -0.467
    5    HA2  GLY   2           HA3      GLY   2   1.192   3.237  -3.111
    6    HA3  GLY   2           HA2      GLY   2  -0.410   2.886  -2.395
    7    H    ALA   3           H        ALA   3  -1.006   5.192  -2.058
    8    HA   ALA   3           HA       ALA   3   0.477   6.458   0.194
    9    HB1  ALA   3           HB1      ALA   3   0.805   8.564  -1.092
   10    HB2  ALA   3           HB2      ALA   3   1.653   7.210  -1.894
   11    HB3  ALA   3           HB3      ALA   3   0.091   7.793  -2.544
   12    H    GLY   4           H        GLY   4  -2.049   5.269   0.393
   13    HA2  GLY   4           HA3      GLY   4  -4.036   7.472   0.150
   14    HA3  GLY   4           HA2      GLY   4  -4.337   5.776   0.569
   15    H    HIS   5           H        HIS   5  -5.443   6.202   2.614
   16    HA   HIS   5           HA       HIS   5  -4.094   8.012   4.540
   17    HB2  HIS   5           HB2      HIS   5  -6.820   6.589   4.540
   18    HB3  HIS   5           HB3      HIS   5  -6.108   7.277   6.015
   19    HD1  HIS   5           HD1      HIS   5  -8.113   8.843   6.083
   20    HD2  HIS   5           HD2      HIS   5  -5.424   9.464   2.906
   21    HE1  HIS   5           HE1      HIS   5  -8.590  11.168   5.230
   22    H    VAL   6           H        VAL   6  -4.789   4.414   4.294
   23    HA   VAL   6           HA       VAL   6  -4.029   4.245   7.142
   24    HB   VAL   6           HB       VAL   6  -5.067   2.126   5.231
   25   HG11  VAL   6          HG11      VAL   6  -5.541   0.772   7.256
   26   HG12  VAL   6          HG12      VAL   6  -3.795   1.127   7.176
   27   HG13  VAL   6          HG13      VAL   6  -4.852   2.030   8.309
   28   HG21  VAL   6          HG21      VAL   6  -7.246   2.428   6.424
   29   HG22  VAL   6          HG22      VAL   6  -6.546   3.776   7.369
   30   HG23  VAL   6          HG23      VAL   6  -6.758   3.929   5.602
   31    HA   PRO   7           HA       PRO   7   0.107   3.116   5.678
   32    HB2  PRO   7           HB2      PRO   7   1.231   1.885   7.899
   33    HB3  PRO   7           HB3      PRO   7   0.978   3.652   7.737
   34    HG2  PRO   7           HG2      PRO   7  -0.885   1.663   9.092
   35    HG3  PRO   7           HG3      PRO   7  -0.263   3.211   9.767
   36    HD2  PRO   7           HD2      PRO   7  -2.738   3.113   8.682
   37    HD3  PRO   7           HD3      PRO   7  -1.685   4.526   8.272
   38    H    GLU   8           H        GLU   8   1.061   1.223   4.581
   39    HA   GLU   8           HA       GLU   8  -0.695  -1.156   4.544
   40    HB2  GLU   8           HB2      GLU   8   1.911  -0.608   3.031
   41    HB3  GLU   8           HB3      GLU   8   0.879  -2.053   2.832
   42    HG2  GLU   8           HG2      GLU   8  -1.038  -0.580   2.179
   43    HG3  GLU   8           HG3      GLU   8   0.033   0.839   2.281
   44    H    TYR   9           H        TYR   9   2.814  -0.379   5.327
   45    HA   TYR   9           HA       TYR   9   2.722  -2.509   7.392
   46    HB2  TYR   9           HB2      TYR   9   4.764  -3.621   6.365
   47    HB3  TYR   9           HB3      TYR   9   3.324  -3.745   5.338
   48    HD1  TYR   9           HD2      TYR   9   6.490  -1.759   5.852
   49    HD2  TYR   9           HD1      TYR   9   3.340  -2.796   3.105
   50    HE1  TYR   9           HE2      TYR   9   7.712  -0.640   4.031
   51    HE2  TYR   9           HE1      TYR   9   4.568  -1.672   1.280
   52    HH   TYR   9           HH       TYR   9   7.761  -0.133   1.698
   53    H    PHE  10           H        PHE  10   4.990  -2.583   8.551
   54    HA   PHE  10           HA       PHE  10   5.953   0.268   8.790
   55    HB2  PHE  10           HB2      PHE  10   5.291  -1.817  10.947
   56    HB3  PHE  10           HB3      PHE  10   6.157  -0.300  11.261
   57    HD1  PHE  10           HD1      PHE  10   2.903  -1.682   9.942
   58    HD2  PHE  10           HD2      PHE  10   4.958   1.820  11.378
   59    HE1  PHE  10           HE1      PHE  10   0.735  -0.528  10.244
   60    HE2  PHE  10           HE2      PHE  10   2.775   2.919  11.799
   61    HZ   PHE  10           HZ       PHE  10   0.665   1.690  11.363
   62    H    VAL  11           H        VAL  11   8.119   0.303  10.016
   63    HA   VAL  11           HA       VAL  11   9.878  -1.803   8.806
   64    HB   VAL  11           HB       VAL  11  11.689  -0.287   9.017
   65   HG11  VAL  11          HG11      VAL  11   9.286   1.529   8.339
   66   HG12  VAL  11          HG12      VAL  11  10.991   1.750   7.892
   67   HG13  VAL  11          HG13      VAL  11  10.070   0.372   7.228
   68   HG21  VAL  11          HG21      VAL  11  11.525   1.912  10.295
   69   HG22  VAL  11          HG22      VAL  11  10.005   1.306  11.018
   70   HG23  VAL  11          HG23      VAL  11  11.542   0.485  11.347
   71    H    ARG  12           H        ARG  12  11.971  -1.935  10.709
   72    HA   ARG  12           HA       ARG  12  10.659  -3.281  12.930
   73    HB2  ARG  12           HB2      ARG  12  13.614  -2.492  12.643
   74    HB3  ARG  12           HB3      ARG  12  12.884  -3.572  13.852
   75    HG2  ARG  12           HG2      ARG  12  11.957  -4.760  11.481
   76    HG3  ARG  12           HG3      ARG  12  13.494  -4.072  10.911
   77    HD2  ARG  12           HD2      ARG  12  14.675  -5.300  12.800
   78    HD3  ARG  12           HD3      ARG  12  13.063  -5.935  13.308
   79    HE   ARG  12           HE       ARG  12  13.541  -6.574  10.534
   80   HH11  ARG  12          HH11      ARG  12  14.636  -7.510  13.841
   81   HH12  ARG  12          HH12      ARG  12  14.976  -9.159  13.334
   82   HH21  ARG  12          HH21      ARG  12  14.033  -8.697   9.983
   83   HH22  ARG  12          HH22      ARG  12  14.659  -9.820  11.193
   84    H    GLY  13           H        GLY  13   9.205  -1.346  13.509
   85    HA2  GLY  13           HA3      GLY  13   8.706   0.154  15.206
   86    HA3  GLY  13           HA2      GLY  13  10.218  -0.374  15.958
   87    H    ASP  14           H        ASP  14   8.902   1.918  13.405
   88    HA   ASP  14           HA       ASP  14  10.374   3.984  14.747
   89    HB2  ASP  14           HB2      ASP  14  12.133   2.768  13.126
   90    HB3  ASP  14           HB3      ASP  14  11.383   3.764  11.872
   91    H    THR  15           H        THR  15   9.115   3.421  11.332
   92    HA   THR  15           HA       THR  15   6.809   5.041  11.789
   93    HB   THR  15           HB       THR  15   8.199   7.006  11.812
   94    HG1  THR  15           HG1      THR  15   7.556   7.972   9.748
   95   HG21  THR  15          HG21      THR  15   9.979   7.480  10.123
   96   HG22  THR  15          HG22      THR  15   9.704   5.891   9.356
   97   HG23  THR  15          HG23      THR  15  10.351   5.990  11.024
   98    HA   PRO  16           HA       PRO  16   6.288   2.534   8.101
   99    HB2  PRO  16           HB2      PRO  16   3.879   3.427   7.057
  100    HB3  PRO  16           HB3      PRO  16   3.966   2.665   8.678
  101    HG2  PRO  16           HG2      PRO  16   4.100   5.663   8.068
  102    HG3  PRO  16           HG3      PRO  16   2.889   4.858   9.120
  103    HD2  PRO  16           HD2      PRO  16   5.124   5.979  10.224
  104    HD3  PRO  16           HD3      PRO  16   4.622   4.343  10.795
  105    H    ILE  17           H        ILE  17   6.126   2.707   5.600
  106    HA   ILE  17           HA       ILE  17   6.896   5.423   4.587
  107    HB   ILE  17           HB       ILE  17   8.305   2.882   3.652
  108   HG12  ILE  17          HG12      ILE  17   9.297   4.707   5.929
  109   HG13  ILE  17          HG13      ILE  17   8.802   2.999   6.069
  110   HG21  ILE  17          HG21      ILE  17   9.894   4.405   2.623
  111   HG22  ILE  17          HG22      ILE  17   8.331   5.159   2.296
  112   HG23  ILE  17          HG23      ILE  17   9.336   5.788   3.616
  113   HD11  ILE  17          HD11      ILE  17  10.680   2.323   4.531
  114   HD12  ILE  17          HD12      ILE  17  11.250   4.023   4.483
  115   HD13  ILE  17          HD13      ILE  17  11.267   3.139   6.009
  116    H    SER  18           H        SER  18   4.257   4.236   4.485
  117    HA   SER  18           HA       SER  18   3.723   4.442   1.742
  118    HB2  SER  18           HB2      SER  18   3.111   2.004   1.233
  119    HB3  SER  18           HB3      SER  18   4.844   2.300   1.195
  120    HG   SER  18           HG       SER  18   4.893   1.393   3.406
  121    H    PHE  19           H        PHE  19   1.389   4.004   1.221
  122    HA   PHE  19           HA       PHE  19  -0.247   3.048   3.480
  123    HB2  PHE  19           HB2      PHE  19  -0.624   5.819   2.197
  124    HB3  PHE  19           HB3      PHE  19  -1.664   5.126   3.451
  125    HD1  PHE  19           HD1      PHE  19   1.798   6.363   2.649
  126    HD2  PHE  19           HD2      PHE  19  -0.989   5.422   5.789
  127    HE1  PHE  19           HE1      PHE  19   3.386   7.244   4.324
  128    HE2  PHE  19           HE2      PHE  19   0.579   6.351   7.458
  129    HZ   PHE  19           HZ       PHE  19   2.760   7.294   6.727
  130    H    TYR  20           H        TYR  20  -2.743   3.146   2.716
  131    HA   TYR  20           HA       TYR  20  -2.777   1.100   0.753
  132    HB2  TYR  20           HB2      TYR  20  -5.008   3.006   1.679
  133    HB3  TYR  20           HB3      TYR  20  -5.287   1.596   0.632
  134    HD1  TYR  20           HD2      TYR  20  -2.778   0.696   3.140
  135    HD2  TYR  20           HD1      TYR  20  -6.994   1.326   2.547
  136    HE1  TYR  20           HE2      TYR  20  -3.258  -0.859   4.954
  137    HE2  TYR  20           HE1      TYR  20  -7.474  -0.223   4.410
  138    HH   TYR  20           HH       TYR  20  -4.931  -1.974   6.217
  139    H    GLY  21           H        GLY  21  -4.180   1.239  -1.432
  140    HA2  GLY  21           HA3      GLY  21  -2.944   3.101  -3.179
  141    HA3  GLY  21           HA2      GLY  21  -4.488   2.270  -3.515
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1   2.345  -0.217   0.859
    2    HA2  GLY   1           HA3      GLY   1   3.042  -0.356  -1.346
    3    HA3  GLY   1           HA2      GLY   1   1.553  -1.282  -1.651
    4    H    GLY   2           H        GLY   2   1.387   2.129  -0.397
    5    HA2  GLY   2           HA3      GLY   2   1.252   3.301  -3.047
    6    HA3  GLY   2           HA2      GLY   2  -0.363   2.948  -2.369
    7    H    ALA   3           H        ALA   3  -1.005   5.231  -1.987
    8    HA   ALA   3           HA       ALA   3   0.485   6.513   0.254
    9    HB1  ALA   3           HB1      ALA   3   0.072   7.841  -2.481
   10    HB2  ALA   3           HB2      ALA   3   0.787   8.617  -1.031
   11    HB3  ALA   3           HB3      ALA   3   1.639   7.265  -1.836
   12    H    GLY   4           H        GLY   4  -2.049   5.317   0.460
   13    HA2  GLY   4           HA3      GLY   4  -4.039   7.516   0.216
   14    HA3  GLY   4           HA2      GLY   4  -4.339   5.817   0.617
   15    H    HIS   5           H        HIS   5  -5.469   6.220   2.638
   16    HA   HIS   5           HA       HIS   5  -4.204   8.068   4.573
   17    HB2  HIS   5           HB2      HIS   5  -6.935   6.721   4.384
   18    HB3  HIS   5           HB3      HIS   5  -6.306   7.104   5.991
   19    HD1  HIS   5           HD1      HIS   5  -6.537   9.024   2.709
   20    HD2  HIS   5           HD2      HIS   5  -6.947   9.453   6.872
   21    HE1  HIS   5           HE1      HIS   5  -7.235  11.430   3.085
   22    H    VAL   6           H        VAL   6  -4.761   4.451   4.325
   23    HA   VAL   6           HA       VAL   6  -4.003   4.304   7.187
   24    HB   VAL   6           HB       VAL   6  -5.074   2.195   5.281
   25   HG11  VAL   6          HG11      VAL   6  -3.802   1.176   7.211
   26   HG12  VAL   6          HG12      VAL   6  -4.846   2.082   8.352
   27   HG13  VAL   6          HG13      VAL   6  -5.549   0.834   7.297
   28   HG21  VAL   6          HG21      VAL   6  -6.528   3.852   7.433
   29   HG22  VAL   6          HG22      VAL   6  -6.747   4.019   5.670
   30   HG23  VAL   6          HG23      VAL   6  -7.249   2.519   6.484
   31    HA   PRO   7           HA       PRO   7   0.106   3.121   5.689
   32    HB2  PRO   7           HB2      PRO   7   1.232   1.879   7.900
   33    HB3  PRO   7           HB3      PRO   7   0.995   3.649   7.743
   34    HG2  PRO   7           HG2      PRO   7  -0.877   1.674   9.109
   35    HG3  PRO   7           HG3      PRO   7  -0.234   3.213   9.784
   36    HD2  PRO   7           HD2      PRO   7  -2.718   3.143   8.718
   37    HD3  PRO   7           HD3      PRO   7  -1.657   4.547   8.305
   38    H    GLU   8           H        GLU   8   1.017   1.214   4.577
   39    HA   GLU   8           HA       GLU   8  -0.773  -1.139   4.560
   40    HB2  GLU   8           HB2      GLU   8   1.833  -0.634   3.042
   41    HB3  GLU   8           HB3      GLU   8   0.775  -2.058   2.833
   42    HG2  GLU   8           HG2      GLU   8  -1.112  -0.569   2.161
   43    HG3  GLU   8           HG3      GLU   8  -0.041   0.849   2.296
   44    H    TYR   9           H        TYR   9   2.752  -0.412   5.310
   45    HA   TYR   9           HA       TYR   9   2.665  -2.564   7.350
   46    HB2  TYR   9           HB2      TYR   9   4.689  -3.676   6.291
   47    HB3  TYR   9           HB3      TYR   9   3.242  -3.774   5.270
   48    HD1  TYR   9           HD2      TYR   9   6.437  -1.833   5.800
   49    HD2  TYR   9           HD1      TYR   9   3.259  -2.782   3.055
   50    HE1  TYR   9           HE2      TYR   9   7.674  -0.723   3.969
   51    HE2  TYR   9           HE1      TYR   9   4.487  -1.669   1.237
   52    HH   TYR   9           HH       TYR   9   6.541  -0.624   0.590
   53    H    PHE  10           H        PHE  10   4.950  -2.652   8.486
   54    HA   PHE  10           HA       PHE  10   5.914   0.197   8.730
   55    HB2  PHE  10           HB2      PHE  10   5.270  -1.899  10.883
   56    HB3  PHE  10           HB3      PHE  10   6.156  -0.398  11.205
   57    HD1  PHE  10           HD1      PHE  10   2.873  -1.724   9.899
   58    HD2  PHE  10           HD2      PHE  10   4.987   1.739  11.343
   59    HE1  PHE  10           HE1      PHE  10   0.723  -0.541  10.225
   60    HE2  PHE  10           HE2      PHE  10   2.822   2.865  11.789
   61    HZ   PHE  10           HZ       PHE  10   0.692   1.669  11.359
   62    H    VAL  11           H        VAL  11   8.081   0.229   9.936
   63    HA   VAL  11           HA       VAL  11   9.854  -1.785   8.606
   64    HB   VAL  11           HB       VAL  11  11.642  -0.228   8.873
   65   HG11  VAL  11          HG11      VAL  11   9.154   1.481   8.250
   66   HG12  VAL  11          HG12      VAL  11  10.846   1.847   7.864
   67   HG13  VAL  11          HG13      VAL  11  10.044   0.442   7.109
   68   HG21  VAL  11          HG21      VAL  11   9.927   1.185  10.977
   69   HG22  VAL  11          HG22      VAL  11  11.520   0.459  11.224
   70   HG23  VAL  11          HG23      VAL  11  11.378   1.923  10.238
   71    H    ARG  12           H        ARG  12  12.001  -1.831  10.540
   72    HA   ARG  12           HA       ARG  12  10.723  -3.450  12.617
   73    HB2  ARG  12           HB2      ARG  12  13.667  -2.617  12.428
   74    HB3  ARG  12           HB3      ARG  12  12.947  -3.913  13.410
   75    HG2  ARG  12           HG2      ARG  12  12.092  -4.829  10.997
   76    HG3  ARG  12           HG3      ARG  12  13.380  -3.775  10.370
   77    HD2  ARG  12           HD2      ARG  12  14.325  -5.967  10.616
   78    HD3  ARG  12           HD3      ARG  12  15.009  -4.958  11.941
   79    HE   ARG  12           HE       ARG  12  12.617  -6.299  12.863
   80   HH11  ARG  12          HH11      ARG  12  16.007  -7.068  11.922
   81   HH12  ARG  12          HH12      ARG  12  16.044  -8.487  12.960
   82   HH21  ARG  12          HH21      ARG  12  12.756  -8.125  14.152
   83   HH22  ARG  12          HH22      ARG  12  14.239  -9.081  14.201
   84    H    GLY  13           H        GLY  13   9.286  -1.417  13.238
   85    HA2  GLY  13           HA3      GLY  13   8.791  -0.077  15.071
   86    HA3  GLY  13           HA2      GLY  13  10.313  -0.622  15.787
   87    H    ASP  14           H        ASP  14   8.943   1.767  13.354
   88    HA   ASP  14           HA       ASP  14  10.422   3.792  14.731
   89    HB2  ASP  14           HB2      ASP  14  12.161   2.592  13.024
   90    HB3  ASP  14           HB3      ASP  14  11.447   3.713  11.862
   91    H    THR  15           H        THR  15   9.186   3.330  11.298
   92    HA   THR  15           HA       THR  15   6.875   4.942  11.797
   93    HB   THR  15           HB       THR  15   8.263   6.910  11.817
   94    HG1  THR  15           HG1      THR  15   7.656   7.872   9.737
   95   HG21  THR  15          HG21      THR  15   9.805   5.754   9.401
   96   HG22  THR  15          HG22      THR  15  10.424   5.901  11.074
   97   HG23  THR  15          HG23      THR  15  10.064   7.363  10.128
   98    HA   PRO  16           HA       PRO  16   6.299   2.474   8.094
   99    HB2  PRO  16           HB2      PRO  16   3.906   3.417   7.057
  100    HB3  PRO  16           HB3      PRO  16   3.979   2.646   8.674
  101    HG2  PRO  16           HG2      PRO  16   4.175   5.644   8.083
  102    HG3  PRO  16           HG3      PRO  16   2.944   4.859   9.126
  103    HD2  PRO  16           HD2      PRO  16   5.197   5.923  10.241
  104    HD3  PRO  16           HD3      PRO  16   4.670   4.292  10.800
  105    H    ILE  17           H        ILE  17   6.121   2.661   5.588
  106    HA   ILE  17           HA       ILE  17   6.913   5.372   4.589
  107    HB   ILE  17           HB       ILE  17   8.293   2.829   3.612
  108   HG12  ILE  17          HG12      ILE  17   9.342   4.619   5.884
  109   HG13  ILE  17          HG13      ILE  17   8.828   2.916   6.018
  110   HG21  ILE  17          HG21      ILE  17   9.356   5.723   3.592
  111   HG22  ILE  17          HG22      ILE  17   9.871   4.352   2.561
  112   HG23  ILE  17          HG23      ILE  17   8.313   5.135   2.284
  113   HD11  ILE  17          HD11      ILE  17  10.663   2.226   4.435
  114   HD12  ILE  17          HD12      ILE  17  11.255   3.917   4.384
  115   HD13  ILE  17          HD13      ILE  17  11.301   3.021   5.900
  116    H    SER  18           H        SER  18   4.261   4.220   4.493
  117    HA   SER  18           HA       SER  18   3.706   4.459   1.755
  118    HB2  SER  18           HB2      SER  18   3.083   1.956   1.292
  119    HB3  SER  18           HB3      SER  18   4.788   2.356   1.137
  120    HG   SER  18           HG       SER  18   3.650   1.186   3.498
  121    H    PHE  19           H        PHE  19   1.372   4.030   1.240
  122    HA   PHE  19           HA       PHE  19  -0.267   3.060   3.492
  123    HB2  PHE  19           HB2      PHE  19  -0.618   5.857   2.250
  124    HB3  PHE  19           HB3      PHE  19  -1.655   5.156   3.504
  125    HD1  PHE  19           HD2      PHE  19   1.816   6.354   2.687
  126    HD2  PHE  19           HD1      PHE  19  -0.984   5.463   5.833
  127    HE1  PHE  19           HE2      PHE  19   3.426   7.197   4.361
  128    HE2  PHE  19           HE1      PHE  19   0.610   6.352   7.500
  129    HZ   PHE  19           HZ       PHE  19   2.805   7.256   6.765
  130    H    TYR  20           H        TYR  20  -2.766   3.221   2.742
  131    HA   TYR  20           HA       TYR  20  -2.854   1.197   0.745
  132    HB2  TYR  20           HB2      TYR  20  -5.037   3.103   1.786
  133    HB3  TYR  20           HB3      TYR  20  -5.372   1.715   0.728
  134    HD1  TYR  20           HD1      TYR  20  -2.789   0.778   3.153
  135    HD2  TYR  20           HD2      TYR  20  -7.023   1.379   2.640
  136    HE1  TYR  20           HE1      TYR  20  -3.240  -0.802   4.972
  137    HE2  TYR  20           HE2      TYR  20  -7.465  -0.193   4.478
  138    HH   TYR  20           HH       TYR  20  -6.514  -1.734   6.035
  139    H    GLY  21           H        GLY  21  -4.421   1.446  -1.375
  140    HA2  GLY  21           HA3      GLY  21  -4.962   2.631  -3.316
  141    HA3  GLY  21           HA2      GLY  21  -4.536   4.124  -2.457