*HEADER    BIOSYNTHETIC PROTEIN                    14-DEC-17   6BVW              
*TITLE     SFTI-HFRW-3                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-3;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_COMMON: COMMON SUNFLOWER;                                   
*SOURCE   5 ORGANISM_TAXID: 4232                                                 
*KEYWDS    MELANOCORTIN, PHARMACOPHORE, CYCLIC PEPTIDE, BIOSYNTHETIC PROTEIN     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    24                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   19-DEC-18 6BVW    0                                                
# Restraints file 1: restraints.tbl
!Distance restraints
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.13    3.13    0.00
assign (resid 2     and name HN   ) (resid 2     and name QG2  )    3.32    3.32    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB   )    4.09    4.09    0.00
assign (resid 2     and name HA   ) (resid 2     and name QG2  )    3.25    3.25    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.81    2.81    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB   )    3.45    3.45    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG12 )    4.91    4.91    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG11 )    4.91    4.91    0.00
assign (resid 5     and name HN   ) (resid 5     and name QD1  )    5.01    5.01    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.82    2.82    0.00
assign (resid 2     and name QG2  ) (resid 3     and name HN   )    3.27    3.27    0.00
assign (resid 3     and name HN   ) (resid 3     and name QB   )    3.48    3.48    0.00
assign (resid 3     and name QB   ) (resid 4     and name HN   )    4.27    4.27    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG12 )    4.16    4.16    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG11 )    4.16    4.16    0.00
assign (resid 8     and name HA   ) (resid 8     and name QD1  )    4.00    4.00    0.00
assign (resid 8     and name HA   ) (resid 8     and name QG2  )    3.49    3.49    0.00
assign (resid 5     and name HA   ) (resid 5     and name HG12 )    4.08    4.08    0.00
assign (resid 5     and name HA   ) (resid 5     and name HG11 )    4.08    4.08    0.00
assign (resid 5     and name HA   ) (resid 5     and name QD1  )    3.06    3.06    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.98    2.98    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB   )    3.96    3.96    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    4.64    4.64    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.64    4.64    0.00
assign (resid 5     and name HB   ) (resid 7     and name HD1  )    5.11    5.11    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD1  )    3.06    3.06    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD2  )    3.17    3.17    0.00
assign (resid 5     and name HA   ) (resid 6     and name HA   )    2.84    2.84    0.00
assign (resid 5     and name QD1  ) (resid 6     and name HA   )    3.33    3.33    0.00
assign (resid 5     and name HA   ) (resid 7     and name HD1  )    3.87    3.87    0.00
assign (resid 5     and name HA   ) (resid 7     and name HD2  )    4.42    4.42    0.00
assign (resid 1     and name HA   ) (resid 9     and name HA   )    2.89    2.89    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB1  )    4.09    4.09    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB2  )    4.09    4.09    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.81    2.81    0.00
assign (resid 8     and name HN   ) (resid 8     and name QG2  )    4.73    4.73    0.00
assign (resid 8     and name HN   ) (resid 8     and name QD1  )    4.75    4.75    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG11 )    4.95    4.95    0.00
assign (resid 8     and name QG2  ) (resid 9     and name HN   )    4.13    4.13    0.00
assign (resid 8     and name QD1  ) (resid 9     and name HN   )    5.19    5.19    0.00
assign (resid 8     and name HB   ) (resid 9     and name HN   )    4.94    4.94    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    2.77    2.77    0.00
assign (resid 11    and name HN   ) (resid 12    and name QN   )    3.97    3.97    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.47    3.47    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    4.12    4.12    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    4.12    4.12    0.00
assign (resid 11    and name HN   ) (resid 11    and name QD   )    4.83    4.83    0.00
assign (resid 11    and name HA   ) (resid 11    and name QD   )    4.46    4.46    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    3.19    3.19    0.00
assign (resid 13    and name HA   ) (resid 13    and name HD1  )    4.56    4.56    0.00
assign (resid 12    and name QN   ) (resid 14    and name HN   )    3.93    3.93    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.90    3.90    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.90    3.90    0.00
assign (resid 14    and name HN   ) (resid 14    and name QG   )    3.72    3.72    0.00
assign (resid 3     and name HN   ) (resid 8     and name QG2  )    5.50    5.50    0.00
assign (resid 3     and name HN   ) (resid 8     and name QD1  )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 14    and name HB2  )    4.88    4.88    0.00
assign (resid 10    and name HN   ) (resid 14    and name HB1  )    4.88    4.88    0.00
assign (resid 10    and name HN   ) (resid 11    and name HN   )    3.36    3.36    0.00
assign (resid 10    and name HN   ) (resid 14    and name HN   )    4.45    4.45    0.00
assign (resid 2     and name HN   ) (resid 8     and name HN   )    3.60    3.60    0.00
assign (resid 2     and name HN   ) (resid 8     and name QD1  )    5.50    5.50    0.00
assign (resid 14    and name HA   ) (resid 14    and name QG   )    3.68    3.68    0.00
assign (resid 11    and name QD   ) (resid 12    and name HG1  )    4.24    4.24    0.00
assign (resid 11    and name QD   ) (resid 12    and name HG2  )    4.24    4.24    0.00
assign (resid 11    and name QD   ) (resid 12    and name HA   )    4.75    4.75    0.00
assign (resid 10    and name HA   ) (resid 11    and name QD   )    4.80    4.80    0.00
assign (resid 11    and name QD   ) (resid 12    and name QN   )    4.06    4.06    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG2  )    4.44    4.44    0.00
assign (resid 11    and name HA   ) (resid 12    and name QN   )    2.70    2.70    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    4.83    4.83    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    4.83    4.83    0.00
assign (resid 12    and name HA   ) (resid 13    and name HE3  )    4.05    4.05    0.00
assign (resid 12    and name HA   ) (resid 14    and name HN   )    4.11    4.11    0.00
assign (resid 12    and name HA   ) (resid 13    and name HD1  )    4.49    4.49    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG12 )    4.95    4.95    0.00
assign (resid 2     and name QG2  ) (resid 8     and name HN   )    4.74    4.74    0.00
assign (resid 9     and name HA   ) (resid 11    and name HN   )    4.76    4.76    0.00
assign (resid 9     and name HB1  ) (resid 11    and name QE   )    5.50    5.50    0.00
assign (resid 9     and name HB2  ) (resid 11    and name QE   )    5.50    5.50    0.00
assign (resid 12    and name HA   ) (resid 13    and name HA   )    2.64    2.64    0.00
assign (resid 13    and name HA   ) (resid 13    and name HE3  )    3.77    3.77    0.00
assign (resid 9     and name HB1  ) (resid 13    and name HE3  )    4.92    4.92    0.00
assign (resid 9     and name HB2  ) (resid 13    and name HE3  )    4.92    4.92    0.00
assign (resid 2     and name HN   ) (resid 9     and name HA   )    3.96    3.96    0.00
assign (resid 9     and name HB2  ) (resid 11    and name QD   )    5.32    5.32    0.00
assign (resid 9     and name HB1  ) (resid 11    and name QD   )    5.32    5.32    0.00
assign (resid 12    and name HA   ) (resid 13    and name HB2  )    4.30    4.30    0.00
assign (resid 12    and name HA   ) (resid 13    and name HB1  )    4.30    4.30    0.00
assign (resid 1     and name HN   ) (resid 1     and name QB   )    3.29    3.29    0.00
assign (resid 1     and name HN   ) (resid 14    and name QB   )    4.42    4.42    0.00
assign (resid 1     and name HA   ) (resid 9     and name QB   )    4.66    4.66    0.00
assign (resid 1     and name QB   ) (resid 2     and name HN   )    3.40    3.40    0.00
assign (resid 2     and name HN   ) (resid 7     and name QB   )    5.34    5.34    0.00
assign (resid 4     and name HN   ) (resid 4     and name QB   )    3.59    3.59    0.00
assign (resid 4     and name QB   ) (resid 5     and name HN   )    3.25    3.25    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG1  )    4.18    4.18    0.00
assign (resid 6     and name QB   ) (resid 7     and name HD2  )    3.38    3.38    0.00
assign (resid 6     and name QB   ) (resid 7     and name HD1  )    4.38    4.38    0.00
assign (resid 7     and name QB   ) (resid 8     and name HN   )    3.98    3.98    0.00
assign (resid 8     and name HN   ) (resid 8     and name QG1  )    4.17    4.17    0.00
assign (resid 8     and name HA   ) (resid 8     and name QG1  )    3.65    3.65    0.00
assign (resid 9     and name HN   ) (resid 9     and name QB   )    3.22    3.22    0.00
assign (resid 9     and name QB   ) (resid 10    and name HN   )    3.55    3.55    0.00
assign (resid 9     and name QB   ) (resid 11    and name HN   )    3.46    3.46    0.00
assign (resid 9     and name QB   ) (resid 11    and name QD   )    4.65    4.65    0.00
assign (resid 9     and name QB   ) (resid 11    and name QE   )    4.80    4.80    0.00
assign (resid 9     and name QB   ) (resid 13    and name HE3  )    4.13    4.13    0.00
assign (resid 10    and name HN   ) (resid 10    and name QB   )    3.38    3.38    0.00
assign (resid 10    and name HN   ) (resid 14    and name QB   )    4.22    4.22    0.00
assign (resid 11    and name HN   ) (resid 11    and name QB   )    3.53    3.53    0.00
assign (resid 11    and name QD   ) (resid 12    and name QB   )    4.57    4.57    0.00
assign (resid 11    and name QD   ) (resid 12    and name QG   )    3.46    3.46    0.00
assign (resid 12    and name QN   ) (resid 12    and name QB   )    2.99    2.99    0.00
assign (resid 12    and name QN   ) (resid 12    and name QG   )    3.82    3.82    0.00
assign (resid 12    and name HA   ) (resid 12    and name QG   )    3.67    3.67    0.00
assign (resid 12    and name QB   ) (resid 12    and name HE   )    4.89    4.89    0.00
assign (resid 12    and name QB   ) (resid 13    and name HA   )    4.89    4.89    0.00
assign (resid 12    and name QB   ) (resid 13    and name HD1  )    4.27    4.27    0.00
assign (resid 12    and name QB   ) (resid 13    and name HE3  )    5.34    5.34    0.00
assign (resid 12    and name QB   ) (resid 13    and name HE1  )    4.28    4.28    0.00
assign (resid 12    and name QB   ) (resid 13    and name HZ2  )    5.34    5.34    0.00
assign (resid 12    and name QG   ) (resid 13    and name HA   )    5.16    5.16    0.00
assign (resid 12    and name QG   ) (resid 13    and name HD1  )    5.34    5.34    0.00
assign (resid 12    and name QG   ) (resid 13    and name HE3  )    4.50    4.50    0.00
assign (resid 12    and name QG   ) (resid 13    and name HE1  )    5.34    5.34    0.00
assign (resid 12    and name QG   ) (resid 13    and name HZ2  )    5.08    5.08    0.00
assign (resid 12    and name QD   ) (resid 13    and name HE1  )    5.34    5.34    0.00
assign (resid 12    and name QD   ) (resid 13    and name HZ2  )    4.09    4.09    0.00
assign (resid 13    and name QB   ) (resid 13    and name HD1  )    3.21    3.21    0.00
assign (resid 13    and name QB   ) (resid 13    and name HE3  )    3.42    3.42    0.00
assign (resid 13    and name QB   ) (resid 14    and name HN   )    4.22    4.22    0.00
assign (resid 14    and name HN   ) (resid 14    and name QB   )    3.32    3.32    0.00
!Dihedral restraints
assign (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name CB   ) (resid 1     and name SG   )    1.0  -60.0   30.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -81.2   34.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  150.2   29.4 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -98.7   45.1 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  139.1   33.4 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  149.5   20.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  143.4   31.4 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -82.4   56.5 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  132.7   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -126.6   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  150.2   40.9 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0  -60.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name CG   )    1.0   60.0   30.0 2
!Hbonds restraints
assign (resid 2     and name HN   ) (resid 8     and name O    )    2.30    2.30    0.00
assign (resid 2     and name N    ) (resid 8     and name O    )    3.30    3.30    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   0.503  -3.028   2.146
    2    HA   CYS   1           HA       CYS   1   1.652  -1.362   0.015
    3    HB3  CYS   1          2HB       CYS   1   2.284   0.201   1.761
    4    H    THR   2           H        THR   2   3.882  -1.107  -0.187
    5    HA   THR   2           HA       THR   2   5.448  -3.308   0.960
    6    HB   THR   2           HB       THR   2   7.126  -2.700  -0.822
    7    HG1  THR   2          1HG       THR   2   6.535  -1.254  -2.384
    8   HG21  THR   2          1HG2      THR   2   5.862  -4.577  -1.351
    9   HG22  THR   2          2HG2      THR   2   5.560  -3.515  -2.727
   10   HG23  THR   2          3HG2      THR   2   4.358  -3.659  -1.444
   11    H    ALA   3           H        ALA   3   7.965  -2.506   0.870
   12    HA   ALA   3           HA       ALA   3   8.052  -0.343   2.843
   13    HB1  ALA   3          1HB       ALA   3   9.208  -2.806   2.871
   14    HB2  ALA   3          2HB       ALA   3  10.535  -1.799   2.291
   15    HB3  ALA   3          3HB       ALA   3   9.751  -1.425   3.827
   16    H    SER   4           H        SER   4   7.902  -0.118  -0.202
   17    HA   SER   4           HA       SER   4  10.296   0.814  -1.263
   18    HB3  SER   4          2HB       SER   4   7.626   2.035  -1.947
   19    HG   SER   4           HG       SER   4   9.159   1.264  -4.002
   20    H    ILE   5           H        ILE   5  10.902   3.055  -1.777
   21    HA   ILE   5           HA       ILE   5  10.106   4.953   0.329
   22    HB   ILE   5           HB       ILE   5  12.274   4.162   0.967
   23   HG13  ILE   5          2HG1      ILE   5  12.577   6.827  -0.432
   24   HG21  ILE   5          1HG2      ILE   5  13.403   4.972  -1.692
   25   HG22  ILE   5          2HG2      ILE   5  14.138   3.975  -0.438
   26   HG23  ILE   5          3HG2      ILE   5  12.798   3.343  -1.395
   27   HD11  ILE   5          1HD1      ILE   5  12.202   7.194   2.314
   28   HD12  ILE   5          2HD1      ILE   5  11.121   7.663   1.001
   29   HD13  ILE   5          3HD1      ILE   5  10.926   6.096   1.787
   30    HA   PRO   6           HA       PRO   6   8.986   6.447   0.530
   31    HB3  PRO   6          2HB       PRO   6   7.953   8.421  -0.034
   32    HG3  PRO   6          2HG       PRO   6   7.608   9.001  -2.260
   33    HD3  PRO   6          2HD       PRO   6   9.847   8.455  -2.335
   34    HA   PRO   7           HA       PRO   7   6.732   2.680   0.286
   35    HB3  PRO   7          2HB       PRO   7   6.324   2.878   2.538
   36    HG3  PRO   7          2HG       PRO   7   5.859   4.945   3.497
   37    HD3  PRO   7          2HD       PRO   7   7.761   5.477   2.310
   38    H    ILE   8           H        ILE   8   4.984   1.659  -0.687
   39    HA   ILE   8           HA       ILE   8   3.069   3.443  -2.046
   40    HB   ILE   8           HB       ILE   8   3.187   2.233  -3.990
   41   HG13  ILE   8          2HG1      ILE   8   2.590   0.068  -3.182
   42   HG21  ILE   8          1HG2      ILE   8   5.931   1.568  -2.970
   43   HG22  ILE   8          2HG2      ILE   8   5.443   2.017  -4.603
   44   HG23  ILE   8          3HG2      ILE   8   5.434   3.223  -3.317
   45   HD11  ILE   8          1HD1      ILE   8   4.456   0.313  -5.165
   46   HD12  ILE   8          2HD1      ILE   8   5.192  -0.869  -4.082
   47   HD13  ILE   8          3HD1      ILE   8   3.583  -1.161  -4.746
   48    H    CYS   9           H        CYS   9   0.937   2.653  -2.374
   49    HA   CYS   9           HA       CYS   9   0.173   0.274  -0.850
   50    HB3  CYS   9          2HB       CYS   9  -1.740   1.540   0.153
   51    H    HIS  10           H        HIS  10  -0.734  -0.964  -2.357
   52    HA   HIS  10           HA       HIS  10  -2.476   0.288  -4.365
   53    HB3  HIS  10          2HB       HIS  10  -0.582  -1.044  -5.232
   54    HD1  HIS  10          1HD       HIS  10  -2.764  -4.026  -4.808
   55    HD2  HIS  10          2HD       HIS  10   0.886  -2.621  -3.408
   56    HE1  HIS  10          1HE       HIS  10  -1.659  -6.001  -3.709
   57    H    DPN  11           H        DPN  11  -3.322  -0.225  -1.643
   58    HA   DPN  11           HA       DPN  11  -4.883  -2.574  -1.478
   59    HB2  DPN  11          2HB       DPN  11  -7.119  -1.198  -1.604
   60    HB3  DPN  11          3HB       DPN  11  -6.391  -1.845  -3.071
   61    HD1  DPN  11          1HD       DPN  11  -6.324  -0.441  -4.873
   62    HD2  DPN  11          2HD       DPN  11  -6.127   1.225  -0.961
   63    HE1  DPN  11          1HE       DPN  11  -6.268   1.820  -5.841
   64    HE2  DPN  11          2HE       DPN  11  -6.070   3.488  -1.924
   65    HZ   DPN  11           HZ       DPN  11  -6.139   3.789  -4.367
   66    HA   MMO  12           HA       NAR  12  -5.277  -0.721   2.455
   67   HCB1  MMO  12          2HB       NAR  12  -8.115  -1.526   1.869
   68   HCB2  MMO  12          3HB       NAR  12  -7.640  -0.964   3.466
   69   HCG1  MMO  12          2HG       NAR  12  -6.777   1.118   2.379
   70   HCG2  MMO  12          3HG       NAR  12  -7.506   0.554   0.875
   71   HCD1  MMO  12          2HD       NAR  12  -8.911   1.195   3.460
   72   HCD2  MMO  12          3HD       NAR  12  -9.024   2.075   1.938
   73   HH21  MMO  12          1HH1      NAR  12 -10.878   2.227   3.273
   74   HH22  MMO  12          2HH1      NAR  12 -12.557   1.808   3.185
   75   HH11  MMO  12          1HH2      NAR  12 -12.028  -1.116   1.341
   76    HC1  MMO  12          2HN       NAR  12  -5.559  -3.727  -0.060
   77    HC2  MMO  12          3HN       NAR  12  -7.026  -2.858  -0.568
   78    HC3  MMO  12           H        NAR  12  -6.934  -3.572   1.060
   79    HE   MMO  12           HE       NAR  12  -9.821  -0.553   1.463
   80   HH12  MMO  12          2HH2      NAR  12 -13.211  -0.094   2.087
   81    HA   E9M  13           HA       NTR  13  -3.765  -1.720   1.926
   82    HD1  E9M  13          1HD       NTR  13  -4.348  -2.280   6.113
   83    HB3  E9M  13          3HB       NTR  13  -2.494  -0.365   3.310
   84    HB2  E9M  13          2HB       NTR  13  -2.202  -1.653   4.477
   85    HE3  E9M  13          3HE       NTR  13  -3.842   1.655   2.886
   86    HE1  E9M  13          1HE       NTR  13  -6.169  -0.731   7.067
   87    HZ3  E9M  13          3HZ       NTR  13  -5.308   3.609   3.172
   88    HZ2  E9M  13          2HZ       NTR  13  -7.249   1.819   6.523
   89    HH2  E9M  13          2HH       NTR  13  -6.976   3.688   4.954
   90    HN3  E9M  13          3HN       NTR  13  -3.441  -3.921   4.904
   91    HN1  E9M  13           H        NTR  13  -3.910  -5.011   3.577
   92    HN2  E9M  13          2HN       NTR  13  -5.132  -4.456   4.746
   93    H    ARG  14           H        ARG  14  -2.798  -3.062   0.492
   94    HA   ARG  14           HA       ARG  14  -0.820  -4.993   1.393
   95    HB3  ARG  14          2HB       ARG  14  -0.702  -5.510  -1.101
   96    HG3  ARG  14          2HG       ARG  14  -3.545  -5.751  -0.269
   97    HD3  ARG  14          2HD       ARG  14  -2.765  -6.869  -2.289
   98    HE   ARG  14           HE       ARG  14  -0.641  -7.693  -2.209
   99   HH11  ARG  14          1HH1      ARG  14  -2.293  -8.589   0.721
  100   HH12  ARG  14          2HH1      ARG  14  -0.996  -9.580   1.303
  101   HH21  ARG  14          1HH2      ARG  14   1.073  -8.994  -1.453
  102   HH22  ARG  14          2HH2      ARG  14   0.918  -9.808   0.067
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   1.105  -3.394   1.843
    2    HA   CYS   1           HA       CYS   1   1.657  -1.320  -0.177
    3    HB3  CYS   1          2HB       CYS   1   2.753  -0.057   1.684
    4    H    THR   2           H        THR   2   3.931  -0.734  -0.439
    5    HA   THR   2           HA       THR   2   5.595  -3.118  -0.453
    6    HB   THR   2           HB       THR   2   5.361  -1.495  -2.425
    7    HG1  THR   2          1HG       THR   2   7.249  -2.268  -3.084
    8   HG21  THR   2          1HG2      THR   2   6.328   0.562  -2.389
    9   HG22  THR   2          2HG2      THR   2   7.598   0.063  -1.270
   10   HG23  THR   2          3HG2      THR   2   5.984   0.431  -0.665
   11    H    ALA   3           H        ALA   3   8.122  -2.190  -0.273
   12    HA   ALA   3           HA       ALA   3   8.273  -1.116   2.469
   13    HB1  ALA   3          1HB       ALA   3   8.983  -3.350   2.602
   14    HB2  ALA   3          2HB       ALA   3   9.920  -3.230   1.112
   15    HB3  ALA   3          3HB       ALA   3  10.468  -2.398   2.568
   16    H    SER   4           H        SER   4   9.281  -0.794  -0.796
   17    HA   SER   4           HA       SER   4  11.692   0.576  -0.541
   18    HB3  SER   4          2HB       SER   4  11.273   1.446  -2.769
   19    HG   SER   4           HG       SER   4  10.073  -0.764  -3.458
   20    H    ILE   5           H        ILE   5  11.756   3.011  -1.413
   21    HA   ILE   5           HA       ILE   5   9.837   4.617   0.122
   22    HB   ILE   5           HB       ILE   5  11.872   4.333   1.497
   23   HG13  ILE   5          2HG1      ILE   5  10.994   6.982   0.445
   24   HG21  ILE   5          1HG2      ILE   5  13.254   4.401  -0.814
   25   HG22  ILE   5          2HG2      ILE   5  13.491   6.057  -0.259
   26   HG23  ILE   5          3HG2      ILE   5  13.973   4.707   0.767
   27   HD11  ILE   5          1HD1      ILE   5   9.803   7.102   2.313
   28   HD12  ILE   5          2HD1      ILE   5  10.185   5.394   2.542
   29   HD13  ILE   5          3HD1      ILE   5  11.176   6.631   3.316
   30    HA   PRO   6           HA       PRO   6   9.062   6.503   0.346
   31    HB3  PRO   6          2HB       PRO   6   8.228   8.482  -0.467
   32    HG3  PRO   6          2HG       PRO   6   8.109   8.884  -2.755
   33    HD3  PRO   6          2HD       PRO   6  10.300   8.186  -2.587
   34    HA   PRO   7           HA       PRO   7   6.677   2.810   0.176
   35    HB3  PRO   7          2HB       PRO   7   6.327   3.069   2.431
   36    HG3  PRO   7          2HG       PRO   7   6.011   5.176   3.362
   37    HD3  PRO   7          2HD       PRO   7   7.917   5.570   2.129
   38    H    ILE   8           H        ILE   8   4.629   1.899  -0.462
   39    HA   ILE   8           HA       ILE   8   2.759   3.750  -1.755
   40    HB   ILE   8           HB       ILE   8   2.781   2.701  -3.830
   41   HG13  ILE   8          2HG1      ILE   8   2.605   0.402  -3.162
   42   HG21  ILE   8          1HG2      ILE   8   4.947   2.984  -4.629
   43   HG22  ILE   8          2HG2      ILE   8   4.928   3.956  -3.158
   44   HG23  ILE   8          3HG2      ILE   8   5.676   2.360  -3.149
   45   HD11  ILE   8          1HD1      ILE   8   3.528  -0.463  -4.983
   46   HD12  ILE   8          2HD1      ILE   8   4.197   1.141  -5.290
   47   HD13  ILE   8          3HD1      ILE   8   5.158  -0.068  -4.439
   48    H    CYS   9           H        CYS   9   0.656   2.891  -2.106
   49    HA   CYS   9           HA       CYS   9   0.086   0.333  -0.781
   50    HB3  CYS   9          2HB       CYS   9  -1.955   1.414   0.234
   51    H    HIS  10           H        HIS  10  -0.713  -0.892  -2.359
   52    HA   HIS  10           HA       HIS  10  -2.491   0.325  -4.352
   53    HB3  HIS  10          2HB       HIS  10  -0.590  -0.878  -5.282
   54    HD1  HIS  10          1HD       HIS  10   1.198  -2.464  -4.698
   55    HD2  HIS  10          2HD       HIS  10  -2.521  -3.828  -3.450
   56    HE1  HIS  10          1HE       HIS  10   1.634  -4.675  -3.582
   57    H    DPN  11           H        DPN  11  -3.281  -0.389  -1.596
   58    HA   DPN  11           HA       DPN  11  -4.757  -2.754  -1.487
   59    HB2  DPN  11          2HB       DPN  11  -7.070  -1.528  -1.725
   60    HB3  DPN  11          3HB       DPN  11  -6.247  -2.153  -3.151
   61    HD1  DPN  11          1HD       DPN  11  -6.200  -0.779  -4.978
   62    HD2  DPN  11          2HD       DPN  11  -6.262   0.964  -1.096
   63    HE1  DPN  11          1HE       DPN  11  -6.250   1.462  -5.989
   64    HE2  DPN  11          2HE       DPN  11  -6.312   3.209  -2.102
   65    HZ   DPN  11           HZ       DPN  11  -6.307   3.461  -4.551
   66    HA   MMO  12           HA       NAR  12  -5.420  -0.861   2.389
   67   HCB1  MMO  12          2HB       NAR  12  -8.159  -1.760   1.600
   68   HCB2  MMO  12          3HB       NAR  12  -7.850  -1.369   3.287
   69   HCG1  MMO  12          2HG       NAR  12  -6.953   0.851   2.465
   70   HCG2  MMO  12          3HG       NAR  12  -7.644   0.434   0.896
   71   HCD1  MMO  12          2HD       NAR  12  -9.143   1.844   2.257
   72   HCD2  MMO  12          3HD       NAR  12  -9.849   0.278   1.862
   73   HH21  MMO  12          1HH1      NAR  12 -11.467   1.162   2.767
   74   HH22  MMO  12          2HH1      NAR  12 -12.442   1.045   4.194
   75   HH11  MMO  12          1HH2      NAR  12  -9.796   0.103   6.275
   76    HC1  MMO  12          2HN       NAR  12  -6.911  -3.164  -0.654
   77    HC2  MMO  12          3HN       NAR  12  -6.838  -3.836   0.992
   78    HC3  MMO  12           H        NAR  12  -5.411  -3.923  -0.068
   79    HE   MMO  12           HE       NAR  12  -8.522   0.259   4.390
   80   HH12  MMO  12          2HH2      NAR  12 -11.490   0.445   6.190
   81    HA   E9M  13           HA       NTR  13  -3.839  -1.771   1.935
   82    HD1  E9M  13          1HD       NTR  13  -4.608  -2.246   6.074
   83    HB3  E9M  13          3HB       NTR  13  -2.608  -0.378   3.344
   84    HB2  E9M  13          2HB       NTR  13  -2.379  -1.639   4.554
   85    HE3  E9M  13          3HE       NTR  13  -3.948   1.615   2.789
   86    HE1  E9M  13          1HE       NTR  13  -6.498  -0.695   6.881
   87    HZ3  E9M  13          3HZ       NTR  13  -5.446   3.561   2.939
   88    HZ2  E9M  13          2HZ       NTR  13  -7.567   1.831   6.213
   89    HH2  E9M  13          2HH       NTR  13  -7.219   3.665   4.615
   90    HN3  E9M  13          3HN       NTR  13  -5.094  -4.440   4.868
   91    HN1  E9M  13           H        NTR  13  -3.378  -3.964   4.851
   92    HN2  E9M  13          2HN       NTR  13  -3.999  -5.099   3.630
   93    H    ARG  14           H        ARG  14  -2.787  -3.080   0.528
   94    HA   ARG  14           HA       ARG  14  -0.632  -4.792   1.523
   95    HB3  ARG  14          2HB       ARG  14  -0.627  -5.517  -0.965
   96    HG3  ARG  14          2HG       ARG  14  -2.831  -6.815  -0.643
   97    HD3  ARG  14          2HD       ARG  14  -1.710  -8.080   1.352
   98    HE   ARG  14           HE       ARG  14  -1.247  -8.226  -1.361
   99   HH11  ARG  14          1HH1      ARG  14   0.544  -8.843   1.560
  100   HH12  ARG  14          2HH1      ARG  14   1.522 -10.085   0.852
  101   HH21  ARG  14          1HH2      ARG  14   0.036  -9.859  -2.304
  102   HH22  ARG  14          2HH2      ARG  14   1.235 -10.661  -1.347
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   1.291  -3.083   1.521
    2    HA   CYS   1           HA       CYS   1   1.795  -1.466  -0.871
    3    HB3  CYS   1          2HB       CYS   1   3.265  -0.145   0.461
    4    H    THR   2           H        THR   2   4.110  -1.280  -1.555
    5    HA   THR   2           HA       THR   2   5.261  -3.965  -1.722
    6    HB   THR   2           HB       THR   2   4.811  -2.681  -3.822
    7    HG1  THR   2          1HG       THR   2   6.387  -4.308  -3.854
    8   HG21  THR   2          1HG2      THR   2   5.785  -0.687  -4.314
    9   HG22  THR   2          2HG2      THR   2   7.249  -1.056  -3.401
   10   HG23  THR   2          3HG2      THR   2   5.793  -0.529  -2.557
   11    H    ALA   3           H        ALA   3   5.537  -1.850   0.516
   12    HA   ALA   3           HA       ALA   3   7.153  -1.023   1.906
   13    HB1  ALA   3          1HB       ALA   3   9.082  -2.646   2.241
   14    HB2  ALA   3          2HB       ALA   3   7.456  -3.273   2.517
   15    HB3  ALA   3          3HB       ALA   3   8.307  -3.651   1.018
   16    H    SER   4           H        SER   4   7.351   0.598  -0.022
   17    HA   SER   4           HA       SER   4  10.148   0.585  -0.952
   18    HB3  SER   4          2HB       SER   4   7.842   2.061  -2.236
   19    HG   SER   4           HG       SER   4   9.700   1.548  -3.961
   20    H    ILE   5           H        ILE   5  10.681   3.049  -1.617
   21    HA   ILE   5           HA       ILE   5   9.820   4.833   0.543
   22    HB   ILE   5           HB       ILE   5  12.714   4.296  -0.143
   23   HG13  ILE   5          2HG1      ILE   5  12.888   3.477   2.153
   24   HG21  ILE   5          1HG2      ILE   5  12.876   6.483   0.410
   25   HG22  ILE   5          2HG2      ILE   5  11.359   6.483   1.307
   26   HG23  ILE   5          3HG2      ILE   5  12.822   5.833   2.049
   27   HD11  ILE   5          1HD1      ILE   5  10.210   2.996   2.856
   28   HD12  ILE   5          2HD1      ILE   5  11.404   3.980   3.707
   29   HD13  ILE   5          3HD1      ILE   5  10.349   4.718   2.503
   30    HA   PRO   6           HA       PRO   6   8.718   6.349   0.636
   31    HB3  PRO   6          2HB       PRO   6   7.839   8.379   0.017
   32    HG3  PRO   6          2HG       PRO   6   7.836   9.059  -2.207
   33    HD3  PRO   6          2HD       PRO   6  10.044   8.433  -1.986
   34    HA   PRO   7           HA       PRO   7   6.725   2.513  -0.257
   35    HB3  PRO   7          2HB       PRO   7   6.652   2.196   2.017
   36    HG3  PRO   7          2HG       PRO   7   6.338   3.985   3.469
   37    HD3  PRO   7          2HD       PRO   7   8.048   4.823   2.169
   38    H    ILE   8           H        ILE   8   5.078   1.856  -1.517
   39    HA   ILE   8           HA       ILE   8   2.836   3.727  -1.920
   40    HB   ILE   8           HB       ILE   8   4.002   3.626  -3.963
   41   HG13  ILE   8          2HG1      ILE   8   2.291   3.054  -5.363
   42   HG21  ILE   8          1HG2      ILE   8   4.506   1.380  -5.041
   43   HG22  ILE   8          2HG2      ILE   8   5.502   1.842  -3.663
   44   HG23  ILE   8          3HG2      ILE   8   4.198   0.672  -3.455
   45   HD11  ILE   8          1HD1      ILE   8   2.449   0.762  -5.618
   46   HD12  ILE   8          2HD1      ILE   8   2.188   0.451  -3.902
   47   HD13  ILE   8          3HD1      ILE   8   0.845   0.972  -4.918
   48    H    CYS   9           H        CYS   9   0.794   3.011  -1.687
   49    HA   CYS   9           HA       CYS   9   0.437   0.162  -1.027
   50    HB3  CYS   9          2HB       CYS   9  -1.569   0.913   0.255
   51    H    HIS  10           H        HIS  10  -0.779  -1.027  -2.337
   52    HA   HIS  10           HA       HIS  10  -2.481   0.361  -4.298
   53    HB3  HIS  10          2HB       HIS  10  -0.702  -0.912  -5.350
   54    HD1  HIS  10          1HD       HIS  10  -2.782  -3.791  -3.994
   55    HD2  HIS  10          2HD       HIS  10   1.180  -2.597  -4.371
   56    HE1  HIS  10          1HE       HIS  10  -1.413  -5.732  -3.167
   57    H    DPN  11           H        DPN  11  -3.233  -0.346  -1.549
   58    HA   DPN  11           HA       DPN  11  -4.818  -2.640  -1.416
   59    HB2  DPN  11          2HB       DPN  11  -7.076  -1.319  -1.584
   60    HB3  DPN  11          3HB       DPN  11  -6.313  -1.945  -3.041
   61    HD1  DPN  11          1HD       DPN  11  -6.236  -0.537  -4.842
   62    HD2  DPN  11          2HD       DPN  11  -6.174   1.128  -0.925
   63    HE1  DPN  11          1HE       DPN  11  -6.221   1.726  -5.808
   64    HE2  DPN  11          2HE       DPN  11  -6.158   3.394  -1.884
   65    HZ   DPN  11           HZ       DPN  11  -6.180   3.695  -4.329
   66    HA   MMO  12           HA       NAR  12  -5.288  -0.744   2.488
   67   HCB1  MMO  12          2HB       NAR  12  -8.102  -1.657   1.924
   68   HCB2  MMO  12          3HB       NAR  12  -7.637  -1.005   3.489
   69   HCG1  MMO  12          2HG       NAR  12  -7.058   1.100   2.518
   70   HCG2  MMO  12          3HG       NAR  12  -7.273   0.461   0.888
   71   HCD1  MMO  12          2HD       NAR  12  -9.478   0.598   2.934
   72   HCD2  MMO  12          3HD       NAR  12  -9.170   1.864   1.745
   73   HH21  MMO  12          1HH1      NAR  12 -11.142   2.102   1.728
   74   HH22  MMO  12          2HH1      NAR  12 -12.545   1.844   0.742
   75   HH11  MMO  12          1HH2      NAR  12 -11.334  -1.095  -0.716
   76    HC1  MMO  12          2HN       NAR  12  -6.960  -2.960  -0.523
   77    HC2  MMO  12          3HN       NAR  12  -6.869  -3.648   1.116
   78    HC3  MMO  12           H        NAR  12  -5.479  -3.790   0.013
   79    HE   MMO  12           HE       NAR  12  -9.494  -0.743   0.585
   80   HH12  MMO  12          2HH2      NAR  12 -12.653   0.026  -0.647
   81    HA   E9M  13           HA       NTR  13  -3.743  -1.704   1.988
   82    HD1  E9M  13          1HD       NTR  13  -4.349  -2.233   6.177
   83    HB3  E9M  13          3HB       NTR  13  -2.537  -0.290   3.367
   84    HB2  E9M  13          2HB       NTR  13  -2.210  -1.551   4.553
   85    HE3  E9M  13          3HE       NTR  13  -3.946   1.678   2.908
   86    HE1  E9M  13          1HE       NTR  13  -6.229  -0.736   7.097
   87    HZ3  E9M  13          3HZ       NTR  13  -5.479   3.586   3.159
   88    HZ2  E9M  13          2HZ       NTR  13  -7.389   1.771   6.515
   89    HH2  E9M  13          2HH       NTR  13  -7.164   3.630   4.924
   90    HN3  E9M  13          3HN       NTR  13  -3.798  -4.973   3.678
   91    HN1  E9M  13           H        NTR  13  -5.061  -4.451   4.820
   92    HN2  E9M  13          2HN       NTR  13  -3.393  -3.856   5.004
   93    H    ARG  14           H        ARG  14  -2.593  -2.859   0.566
   94    HA   ARG  14           HA       ARG  14  -0.377  -4.507   1.593
   95    HB3  ARG  14          2HB       ARG  14  -0.646  -5.502  -0.856
   96    HG3  ARG  14          2HG       ARG  14  -2.455  -6.205   1.443
   97    HD3  ARG  14          2HD       ARG  14  -1.812  -7.695  -1.094
   98    HE   ARG  14           HE       ARG  14  -2.378  -8.830   1.414
   99   HH11  ARG  14          1HH1      ARG  14  -3.399  -9.008  -1.910
  100   HH12  ARG  14          2HH1      ARG  14  -3.896 -10.665  -1.804
  101   HH21  ARG  14          1HH2      ARG  14  -3.030 -11.010   1.566
  102   HH22  ARG  14          2HH2      ARG  14  -3.688 -11.803   0.173
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   1.376  -2.484   1.485
    2    HA   CYS   1           HA       CYS   1   2.241  -1.035  -0.819
    3    HB3  CYS   1          2HB       CYS   1   4.350  -0.723   0.599
    4    H    THR   2           H        THR   2   4.005  -1.425  -2.156
    5    HA   THR   2           HA       THR   2   5.460  -3.928  -1.899
    6    HB   THR   2           HB       THR   2   3.416  -4.507  -3.204
    7    HG1  THR   2          1HG       THR   2   4.951  -5.860  -3.822
    8   HG21  THR   2          1HG2      THR   2   2.667  -3.161  -4.811
    9   HG22  THR   2          2HG2      THR   2   4.167  -3.387  -5.711
   10   HG23  THR   2          3HG2      THR   2   4.032  -2.077  -4.538
   11    H    ALA   3           H        ALA   3   6.068  -1.049  -1.826
   12    HA   ALA   3           HA       ALA   3   8.278  -1.104  -3.714
   13    HB1  ALA   3          1HB       ALA   3   5.926   0.494  -4.151
   14    HB2  ALA   3          2HB       ALA   3   7.346   1.521  -3.941
   15    HB3  ALA   3          3HB       ALA   3   7.339   0.269  -5.184
   16    H    SER   4           H        SER   4  10.065  -0.039  -2.989
   17    HA   SER   4           HA       SER   4  10.317   0.513  -0.261
   18    HB3  SER   4          2HB       SER   4  12.515   1.532  -0.886
   19    HG   SER   4           HG       SER   4  11.972  -0.863  -2.307
   20    H    ILE   5           H        ILE   5  11.048   2.615   0.679
   21    HA   ILE   5           HA       ILE   5   9.084   4.543   0.557
   22    HB   ILE   5           HB       ILE   5  10.708   4.398   2.389
   23   HG13  ILE   5          2HG1      ILE   5  10.072   6.913   0.974
   24   HG21  ILE   5          1HG2      ILE   5  12.704   5.812   0.654
   25   HG22  ILE   5          2HG2      ILE   5  12.954   5.020   2.209
   26   HG23  ILE   5          3HG2      ILE   5  12.659   4.053   0.763
   27   HD11  ILE   5          1HD1      ILE   5   9.264   5.558   3.359
   28   HD12  ILE   5          2HD1      ILE   5   9.799   7.193   3.745
   29   HD13  ILE   5          3HD1      ILE   5   8.526   6.942   2.551
   30    HA   PRO   6           HA       PRO   6   8.237   6.396   0.466
   31    HB3  PRO   6          2HB       PRO   6   7.584   8.302  -0.638
   32    HG3  PRO   6          2HG       PRO   6   8.015   8.581  -2.906
   33    HD3  PRO   6          2HD       PRO   6  10.113   7.966  -2.176
   34    HA   PRO   7           HA       PRO   7   6.418   2.408  -0.212
   35    HB3  PRO   7          2HB       PRO   7   6.273   2.264   2.078
   36    HG3  PRO   7          2HG       PRO   7   5.922   4.159   3.377
   37    HD3  PRO   7          2HD       PRO   7   7.673   4.894   2.073
   38    H    ILE   8           H        ILE   8   5.111   2.002  -1.875
   39    HA   ILE   8           HA       ILE   8   2.732   3.680  -2.266
   40    HB   ILE   8           HB       ILE   8   4.102   1.815  -4.208
   41   HG13  ILE   8          2HG1      ILE   8   5.428   3.817  -3.718
   42   HG21  ILE   8          1HG2      ILE   8   1.805   3.725  -4.625
   43   HG22  ILE   8          2HG2      ILE   8   2.612   2.794  -5.885
   44   HG23  ILE   8          3HG2      ILE   8   1.706   1.964  -4.620
   45   HD11  ILE   8          1HD1      ILE   8   5.184   2.987  -6.115
   46   HD12  ILE   8          2HD1      ILE   8   4.115   4.372  -6.350
   47   HD13  ILE   8          3HD1      ILE   8   5.794   4.623  -5.871
   48    H    CYS   9           H        CYS   9   0.926   2.867  -1.446
   49    HA   CYS   9           HA       CYS   9   0.587  -0.042  -1.311
   50    HB3  CYS   9          2HB       CYS   9  -1.380   0.571   0.174
   51    H    HIS  10           H        HIS  10  -0.873  -1.098  -2.511
   52    HA   HIS  10           HA       HIS  10  -2.620   0.511  -4.249
   53    HB3  HIS  10          2HB       HIS  10  -1.016  -0.806  -5.507
   54    HD1  HIS  10          1HD       HIS  10  -3.118  -3.811  -4.836
   55    HD2  HIS  10          2HD       HIS  10   0.747  -2.477  -4.092
   56    HE1  HIS  10          1HE       HIS  10  -1.845  -5.836  -4.057
   57    H    DPN  11           H        DPN  11  -3.208  -0.315  -1.493
   58    HA   DPN  11           HA       DPN  11  -4.929  -2.507  -1.358
   59    HB2  DPN  11          2HB       DPN  11  -7.099  -1.017  -1.281
   60    HB3  DPN  11          3HB       DPN  11  -6.505  -1.649  -2.812
   61    HD1  DPN  11          1HD       DPN  11  -6.503  -0.186  -4.568
   62    HD2  DPN  11          2HD       DPN  11  -5.921   1.328  -0.632
   63    HE1  DPN  11          1HE       DPN  11  -6.391   2.102  -5.468
   64    HE2  DPN  11          2HE       DPN  11  -5.807   3.617  -1.526
   65    HZ   DPN  11           HZ       DPN  11  -6.044   4.007  -3.946
   66    HA   MMO  12           HA       NAR  12  -5.055  -0.735   2.644
   67   HCB1  MMO  12          2HB       NAR  12  -7.887  -1.731   2.354
   68   HCB2  MMO  12          3HB       NAR  12  -7.274  -1.042   3.851
   69   HCG1  MMO  12          2HG       NAR  12  -6.948   1.073   2.856
   70   HCG2  MMO  12          3HG       NAR  12  -7.180   0.424   1.232
   71   HCD1  MMO  12          2HD       NAR  12  -9.282   0.567   3.390
   72   HCD2  MMO  12          3HD       NAR  12  -9.147   1.661   2.014
   73   HH21  MMO  12          1HH1      NAR  12 -11.286   1.170   2.942
   74   HH22  MMO  12          2HH1      NAR  12 -12.776   0.486   2.382
   75   HH11  MMO  12          1HH2      NAR  12 -11.249  -1.795   0.217
   76    HC1  MMO  12          2HN       NAR  12  -6.856  -3.524   1.266
   77    HC2  MMO  12          3HN       NAR  12  -5.561  -3.688   0.057
   78    HC3  MMO  12           H        NAR  12  -7.017  -2.740  -0.324
   79    HE   MMO  12           HE       NAR  12  -9.294  -0.886   0.962
   80   HH12  MMO  12          2HH2      NAR  12 -12.753  -1.201   0.833
   81    HA   E9M  13           HA       NTR  13  -3.524  -1.593   2.018
   82    HD1  E9M  13          1HD       NTR  13  -3.873  -2.333   6.193
   83    HB3  E9M  13          3HB       NTR  13  -2.321  -0.169   3.387
   84    HB2  E9M  13          2HB       NTR  13  -1.856  -1.455   4.496
   85    HE3  E9M  13          3HE       NTR  13  -3.832   1.751   3.119
   86    HE1  E9M  13          1HE       NTR  13  -5.766  -0.978   7.290
   87    HZ3  E9M  13          3HZ       NTR  13  -5.435   3.568   3.550
   88    HZ2  E9M  13          2HZ       NTR  13  -7.070   1.495   6.903
   89    HH2  E9M  13          2HH       NTR  13  -7.020   3.440   5.404
   90    HN3  E9M  13          3HN       NTR  13  -2.861  -3.868   4.869
   91    HN1  E9M  13           H        NTR  13  -3.369  -4.944   3.546
   92    HN2  E9M  13          2HN       NTR  13  -4.524  -4.499   4.823
   93    H    ARG  14           H        ARG  14  -2.382  -2.604   0.489
   94    HA   ARG  14           HA       ARG  14  -0.090  -4.258   1.319
   95    HB3  ARG  14          2HB       ARG  14  -0.269  -5.256  -0.974
   96    HG3  ARG  14          2HG       ARG  14  -2.497  -6.424  -0.594
   97    HD3  ARG  14          2HD       ARG  14  -0.103  -6.986   0.354
   98    HE   ARG  14           HE       ARG  14  -1.120  -5.660   2.567
   99   HH11  ARG  14          1HH1      ARG  14   0.225  -8.780   1.814
  100   HH12  ARG  14          2HH1      ARG  14   0.882  -9.026   3.398
  101   HH21  ARG  14          1HH2      ARG  14  -0.259  -5.970   4.657
  102   HH22  ARG  14          2HH2      ARG  14   0.605  -7.426   5.015
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   0.096  -3.264   2.288
    2    HA   CYS   1           HA       CYS   1   0.945  -1.337   0.368
    3    HB3  CYS   1          2HB       CYS   1   2.544  -0.644   2.176
    4    H    THR   2           H        THR   2   3.241  -0.932  -0.162
    5    HA   THR   2           HA       THR   2   4.618  -3.473  -0.722
    6    HB   THR   2           HB       THR   2   5.611  -2.477  -2.636
    7    HG1  THR   2          1HG       THR   2   6.153  -0.440  -2.243
    8   HG21  THR   2          1HG2      THR   2   2.729  -1.602  -2.426
    9   HG22  THR   2          2HG2      THR   2   3.325  -3.147  -3.030
   10   HG23  THR   2          3HG2      THR   2   3.650  -1.666  -3.928
   11    H    ALA   3           H        ALA   3   7.095  -2.402  -1.438
   12    HA   ALA   3           HA       ALA   3   8.056  -1.178   1.062
   13    HB1  ALA   3          1HB       ALA   3   9.737  -3.207  -0.339
   14    HB2  ALA   3          2HB       ALA   3   9.739  -2.719   1.356
   15    HB3  ALA   3          3HB       ALA   3   8.442  -3.741   0.733
   16    H    SER   4           H        SER   4   7.721   0.658  -0.607
   17    HA   SER   4           HA       SER   4  10.192   0.971  -2.183
   18    HB3  SER   4          2HB       SER   4   7.830   2.697  -2.742
   19    HG   SER   4           HG       SER   4   9.373   1.305  -4.626
   20    H    ILE   5           H        ILE   5  10.813   3.329  -2.477
   21    HA   ILE   5           HA       ILE   5  10.324   4.842   0.001
   22    HB   ILE   5           HB       ILE   5  12.531   3.884   0.185
   23   HG13  ILE   5          2HG1      ILE   5  11.992   6.691   0.115
   24   HG21  ILE   5          1HG2      ILE   5  13.906   3.561  -1.534
   25   HG22  ILE   5          2HG2      ILE   5  12.600   4.123  -2.577
   26   HG23  ILE   5          3HG2      ILE   5  13.824   5.257  -2.008
   27   HD11  ILE   5          1HD1      ILE   5  13.721   4.869   1.688
   28   HD12  ILE   5          2HD1      ILE   5  14.040   6.603   1.769
   29   HD13  ILE   5          3HD1      ILE   5  12.456   5.975   2.220
   30    HA   PRO   6           HA       PRO   6   9.342   6.324   0.617
   31    HB3  PRO   6          2HB       PRO   6   8.348   8.395   0.546
   32    HG3  PRO   6          2HG       PRO   6   7.739   9.362  -1.478
   33    HD3  PRO   6          2HD       PRO   6   9.916   8.773  -1.960
   34    HA   PRO   7           HA       PRO   7   6.876   2.724   0.068
   35    HB3  PRO   7          2HB       PRO   7   6.779   2.542   2.355
   36    HG3  PRO   7          2HG       PRO   7   6.555   4.427   3.700
   37    HD3  PRO   7          2HD       PRO   7   8.309   5.099   2.365
   38    H    ILE   8           H        ILE   8   5.130   2.028  -1.061
   39    HA   ILE   8           HA       ILE   8   2.883   3.889  -1.433
   40    HB   ILE   8           HB       ILE   8   4.065   4.199  -3.437
   41   HG13  ILE   8          2HG1      ILE   8   2.441   3.673  -4.953
   42   HG21  ILE   8          1HG2      ILE   8   5.719   2.491  -3.272
   43   HG22  ILE   8          2HG2      ILE   8   4.508   1.221  -3.441
   44   HG23  ILE   8          3HG2      ILE   8   4.883   2.269  -4.809
   45   HD11  ILE   8          1HD1      ILE   8   1.221   1.409  -4.871
   46   HD12  ILE   8          2HD1      ILE   8   2.852   1.476  -5.540
   47   HD13  ILE   8          3HD1      ILE   8   2.595   0.882  -3.900
   48    H    CYS   9           H        CYS   9   0.906   2.987  -1.355
   49    HA   CYS   9           HA       CYS   9   0.780   0.065  -1.040
   50    HB3  CYS   9          2HB       CYS   9  -1.452   0.565   0.048
   51    H    HIS  10           H        HIS  10  -1.027  -1.077  -1.955
   52    HA   HIS  10           HA       HIS  10  -2.283   0.284  -4.241
   53    HB3  HIS  10          2HB       HIS  10  -0.496  -1.061  -5.151
   54    HD1  HIS  10          1HD       HIS  10   1.207  -2.691  -4.446
   55    HD2  HIS  10          2HD       HIS  10  -2.617  -3.910  -3.374
   56    HE1  HIS  10          1HE       HIS  10   1.504  -4.916  -3.314
   57    H    DPN  11           H        DPN  11  -3.228  -0.388  -1.517
   58    HA   DPN  11           HA       DPN  11  -4.932  -2.607  -1.520
   59    HB2  DPN  11          2HB       DPN  11  -7.102  -1.148  -1.766
   60    HB3  DPN  11          3HB       DPN  11  -6.307  -1.799  -3.194
   61    HD1  DPN  11          1HD       DPN  11  -6.068  -0.371  -4.965
   62    HD2  DPN  11          2HD       DPN  11  -6.072   1.228  -1.020
   63    HE1  DPN  11          1HE       DPN  11  -5.867   1.901  -5.888
   64    HE2  DPN  11          2HE       DPN  11  -5.870   3.502  -1.937
   65    HZ   DPN  11           HZ       DPN  11  -5.769   3.841  -4.374
   66    HA   MMO  12           HA       NAR  12  -5.502  -0.782   2.405
   67   HCB1  MMO  12          2HB       NAR  12  -8.325  -1.498   1.649
   68   HCB2  MMO  12          3HB       NAR  12  -7.923  -0.949   3.270
   69   HCG1  MMO  12          2HG       NAR  12  -6.985   1.120   2.291
   70   HCG2  MMO  12          3HG       NAR  12  -7.528   0.571   0.703
   71   HCD1  MMO  12          2HD       NAR  12  -9.807   0.672   1.353
   72   HCD2  MMO  12          3HD       NAR  12  -9.382   0.887   3.051
   73   HH21  MMO  12          1HH1      NAR  12 -11.446   1.731   2.291
   74   HH22  MMO  12          2HH1      NAR  12 -12.230   3.275   2.207
   75   HH11  MMO  12          1HH2      NAR  12  -9.289   5.056   1.569
   76    HC1  MMO  12          2HN       NAR  12  -5.732  -3.750  -0.159
   77    HC2  MMO  12          3HN       NAR  12  -7.134  -2.824  -0.748
   78    HC3  MMO  12           H        NAR  12  -7.169  -3.558   0.873
   79    HE   MMO  12           HE       NAR  12  -8.268   3.017   1.680
   80   HH12  MMO  12          2HH2      NAR  12 -11.001   5.165   1.796
   81    HA   E9M  13           HA       NTR  13  -3.993  -1.819   1.960
   82    HD1  E9M  13          1HD       NTR  13  -4.851  -2.403   6.098
   83    HB3  E9M  13          3HB       NTR  13  -2.763  -0.526   3.439
   84    HB2  E9M  13          2HB       NTR  13  -2.592  -1.836   4.605
   85    HE3  E9M  13          3HE       NTR  13  -4.019   1.539   2.950
   86    HE1  E9M  13          1HE       NTR  13  -6.678  -0.803   6.952
   87    HZ3  E9M  13          3HZ       NTR  13  -5.436   3.539   3.164
   88    HZ2  E9M  13          2HZ       NTR  13  -7.639   1.786   6.370
   89    HH2  E9M  13          2HH       NTR  13  -7.208   3.657   4.839
   90    HN3  E9M  13          3HN       NTR  13  -4.519  -5.165   3.538
   91    HN1  E9M  13           H        NTR  13  -5.555  -4.438   4.788
   92    HN2  E9M  13          2HN       NTR  13  -3.801  -4.135   4.800
   93    H    ARG  14           H        ARG  14  -3.196  -3.458   0.630
   94    HA   ARG  14           HA       ARG  14  -1.226  -5.318   1.631
   95    HB3  ARG  14          2HB       ARG  14  -1.072  -5.848  -0.908
   96    HG3  ARG  14          2HG       ARG  14  -3.546  -6.306   0.725
   97    HD3  ARG  14          2HD       ARG  14  -2.840  -7.618  -1.895
   98    HE   ARG  14           HE       ARG  14  -4.535  -8.521   0.083
   99   HH11  ARG  14          1HH1      ARG  14  -4.789  -7.639  -3.276
  100   HH12  ARG  14          2HH1      ARG  14  -6.091  -8.735  -3.599
  101   HH21  ARG  14          1HH2      ARG  14  -6.248  -9.967  -0.332
  102   HH22  ARG  14          2HH2      ARG  14  -6.920 -10.059  -1.924
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   1.329  -2.184   1.610
    2    HA   CYS   1           HA       CYS   1   2.281  -0.936  -0.704
    3    HB3  CYS   1          2HB       CYS   1   4.336  -0.473   0.673
    4    H    THR   2           H        THR   2   3.947  -1.361  -2.107
    5    HA   THR   2           HA       THR   2   5.564  -3.745  -1.783
    6    HB   THR   2           HB       THR   2   3.536  -4.634  -2.856
    7    HG1  THR   2          1HG       THR   2   4.753  -5.310  -4.892
    8   HG21  THR   2          1HG2      THR   2   2.439  -3.474  -4.410
    9   HG22  THR   2          2HG2      THR   2   3.842  -3.558  -5.477
   10   HG23  THR   2          3HG2      THR   2   3.675  -2.218  -4.340
   11    H    ALA   3           H        ALA   3   5.945  -0.828  -2.004
   12    HA   ALA   3           HA       ALA   3   7.912  -0.889  -4.175
   13    HB1  ALA   3          1HB       ALA   3   6.154   0.255  -5.241
   14    HB2  ALA   3          2HB       ALA   3   5.786   1.202  -3.799
   15    HB3  ALA   3          3HB       ALA   3   7.269   1.511  -4.702
   16    H    SER   4           H        SER   4   9.813   0.082  -3.693
   17    HA   SER   4           HA       SER   4  10.583   0.531  -1.086
   18    HB3  SER   4          2HB       SER   4  12.555   1.726  -2.048
   19    HG   SER   4           HG       SER   4  13.211  -0.051  -3.365
   20    H    ILE   5           H        ILE   5  11.267   2.522  -0.016
   21    HA   ILE   5           HA       ILE   5   9.246   4.360   0.322
   22    HB   ILE   5           HB       ILE   5  12.176   4.956   0.734
   23   HG13  ILE   5          2HG1      ILE   5  11.787   4.109   3.048
   24   HG21  ILE   5          1HG2      ILE   5  11.481   6.566   2.324
   25   HG22  ILE   5          2HG2      ILE   5  10.503   6.837   0.884
   26   HG23  ILE   5          3HG2      ILE   5   9.812   6.001   2.274
   27   HD11  ILE   5          1HD1      ILE   5   9.376   4.243   3.193
   28   HD12  ILE   5          2HD1      ILE   5   9.215   3.044   1.909
   29   HD13  ILE   5          3HD1      ILE   5   9.922   2.587   3.459
   30    HA   PRO   6           HA       PRO   6   8.414   6.232   0.613
   31    HB3  PRO   6          2HB       PRO   6   7.608   8.244  -0.149
   32    HG3  PRO   6          2HG       PRO   6   7.686   8.792  -2.407
   33    HD3  PRO   6          2HD       PRO   6   9.868   8.126  -2.083
   34    HA   PRO   7           HA       PRO   7   6.368   2.389  -0.134
   35    HB3  PRO   7          2HB       PRO   7   6.278   2.170   2.151
   36    HG3  PRO   7          2HG       PRO   7   5.996   4.025   3.524
   37    HD3  PRO   7          2HD       PRO   7   7.729   4.772   2.199
   38    H    ILE   8           H        ILE   8   4.941   1.964  -1.687
   39    HA   ILE   8           HA       ILE   8   2.577   3.703  -1.947
   40    HB   ILE   8           HB       ILE   8   3.953   2.036  -4.058
   41   HG13  ILE   8          2HG1      ILE   8   4.206   4.817  -3.169
   42   HG21  ILE   8          1HG2      ILE   8   2.359   3.292  -5.585
   43   HG22  ILE   8          2HG2      ILE   8   1.664   2.009  -4.596
   44   HG23  ILE   8          3HG2      ILE   8   1.450   3.695  -4.129
   45   HD11  ILE   8          1HD1      ILE   8   6.089   3.193  -3.440
   46   HD12  ILE   8          2HD1      ILE   8   5.856   3.322  -5.183
   47   HD13  ILE   8          3HD1      ILE   8   6.311   4.745  -4.246
   48    H    CYS   9           H        CYS   9   0.820   2.789  -1.120
   49    HA   CYS   9           HA       CYS   9   0.539  -0.122  -1.165
   50    HB3  CYS   9          2HB       CYS   9  -1.469   0.388   0.320
   51    H    HIS  10           H        HIS  10  -0.636  -1.083  -2.673
   52    HA   HIS  10           HA       HIS  10  -2.440   0.522  -4.318
   53    HB3  HIS  10          2HB       HIS  10  -0.651  -1.044  -5.278
   54    HD1  HIS  10          1HD       HIS  10  -1.399  -2.787  -2.699
   55    HD2  HIS  10          2HD       HIS  10  -2.021  -3.827  -6.673
   56    HE1  HIS  10          1HE       HIS  10  -1.518  -5.299  -2.726
   57    H    DPN  11           H        DPN  11  -3.091  -0.362  -1.563
   58    HA   DPN  11           HA       DPN  11  -4.870  -2.494  -1.490
   59    HB2  DPN  11          2HB       DPN  11  -7.019  -0.982  -1.479
   60    HB3  DPN  11          3HB       DPN  11  -6.378  -1.597  -2.999
   61    HD1  DPN  11          1HD       DPN  11  -6.299  -0.111  -4.733
   62    HD2  DPN  11          2HD       DPN  11  -5.841   1.342  -0.758
   63    HE1  DPN  11          1HE       DPN  11  -6.133   2.187  -5.596
   64    HE2  DPN  11          2HE       DPN  11  -5.673   3.642  -1.614
   65    HZ   DPN  11           HZ       DPN  11  -5.821   4.067  -4.036
   66    HA   MMO  12           HA       NAR  12  -5.095  -0.717   2.506
   67   HCB1  MMO  12          2HB       NAR  12  -7.926  -1.703   2.154
   68   HCB2  MMO  12          3HB       NAR  12  -7.341  -0.989   3.650
   69   HCG1  MMO  12          2HG       NAR  12  -6.769   1.066   2.397
   70   HCG2  MMO  12          3HG       NAR  12  -7.487   0.343   0.956
   71   HCD1  MMO  12          2HD       NAR  12  -8.934   0.834   3.557
   72   HCD2  MMO  12          3HD       NAR  12  -9.022   1.878   2.140
   73   HH21  MMO  12          1HH1      NAR  12 -10.792   1.304   3.935
   74   HH22  MMO  12          2HH1      NAR  12 -12.408   0.680   3.906
   75   HH11  MMO  12          1HH2      NAR  12 -11.888  -1.341   1.101
   76    HC1  MMO  12          2HN       NAR  12  -7.005  -2.687  -0.516
   77    HC2  MMO  12          3HN       NAR  12  -6.893  -3.480   1.074
   78    HC3  MMO  12           H        NAR  12  -5.573  -3.663  -0.106
   79    HE   MMO  12           HE       NAR  12  -9.762  -0.512   1.149
   80   HH12  MMO  12          2HH2      NAR  12 -13.030  -0.825   2.295
   81    HA   E9M  13           HA       NTR  13  -3.534  -1.573   1.956
   82    HD1  E9M  13          1HD       NTR  13  -4.126  -2.339   6.084
   83    HB3  E9M  13          3HB       NTR  13  -2.483  -0.099   3.384
   84    HB2  E9M  13          2HB       NTR  13  -2.023  -1.362   4.524
   85    HE3  E9M  13          3HE       NTR  13  -3.994   1.802   3.090
   86    HE1  E9M  13          1HE       NTR  13  -6.104  -1.039   7.096
   87    HZ3  E9M  13          3HZ       NTR  13  -5.654   3.581   3.462
   88    HZ2  E9M  13          2HZ       NTR  13  -7.433   1.415   6.679
   89    HH2  E9M  13          2HH       NTR  13  -7.338   3.389   5.219
   90    HN3  E9M  13          3HN       NTR  13  -3.383  -4.887   3.489
   91    HN1  E9M  13           H        NTR  13  -4.680  -4.522   4.651
   92    HN2  E9M  13          2HN       NTR  13  -3.056  -3.830   4.883
   93    H    ARG  14           H        ARG  14  -2.290  -2.611   0.524
   94    HA   ARG  14           HA       ARG  14   0.012  -4.142   1.541
   95    HB3  ARG  14          2HB       ARG  14  -0.379  -4.773  -1.171
   96    HG3  ARG  14          2HG       ARG  14  -1.584  -6.586   0.813
   97    HD3  ARG  14          2HD       ARG  14   0.648  -7.693  -0.481
   98    HE   ARG  14           HE       ARG  14  -1.908  -8.194  -1.689
   99   HH11  ARG  14          1HH1      ARG  14   0.103  -8.779   1.091
  100   HH12  ARG  14          2HH1      ARG  14  -0.701 -10.249   1.527
  101   HH21  ARG  14          1HH2      ARG  14  -2.977 -10.129  -1.125
  102   HH22  ARG  14          2HH2      ARG  14  -2.453 -11.016   0.265
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   0.222  -3.466   2.242
    2    HA   CYS   1           HA       CYS   1   1.051  -1.431   0.369
    3    HB3  CYS   1          2HB       CYS   1   2.544  -0.705   2.237
    4    H    THR   2           H        THR   2   3.297  -1.054  -0.190
    5    HA   THR   2           HA       THR   2   4.758  -3.586  -0.550
    6    HB   THR   2           HB       THR   2   5.822  -2.600  -2.491
    7    HG1  THR   2          1HG       THR   2   5.904  -0.428  -1.854
    8   HG21  THR   2          1HG2      THR   2   2.829  -2.424  -2.358
    9   HG22  THR   2          2HG2      THR   2   3.836  -3.656  -3.119
   10   HG23  THR   2          3HG2      THR   2   3.696  -2.058  -3.849
   11    H    ALA   3           H        ALA   3   7.220  -2.607  -1.272
   12    HA   ALA   3           HA       ALA   3   8.113  -1.165   1.139
   13    HB1  ALA   3          1HB       ALA   3   9.996  -2.559   1.352
   14    HB2  ALA   3          2HB       ALA   3   8.639  -3.650   1.068
   15    HB3  ALA   3          3HB       ALA   3   9.754  -3.268  -0.243
   16    H    SER   4           H        SER   4   7.748   0.651  -0.475
   17    HA   SER   4           HA       SER   4  10.140   0.991  -2.164
   18    HB3  SER   4          2HB       SER   4   8.897   2.170  -3.736
   19    HG   SER   4           HG       SER   4   7.768   0.477  -4.214
   20    H    ILE   5           H        ILE   5  10.768   3.327  -2.459
   21    HA   ILE   5           HA       ILE   5  10.335   4.859   0.019
   22    HB   ILE   5           HB       ILE   5  12.529   3.935   0.224
   23   HG13  ILE   5          2HG1      ILE   5  12.782   6.775  -0.791
   24   HG21  ILE   5          1HG2      ILE   5  14.004   4.984  -1.920
   25   HG22  ILE   5          2HG2      ILE   5  13.639   3.293  -1.587
   26   HG23  ILE   5          3HG2      ILE   5  12.572   4.236  -2.627
   27   HD11  ILE   5          1HD1      ILE   5  11.257   7.122   0.854
   28   HD12  ILE   5          2HD1      ILE   5  11.727   5.677   1.752
   29   HD13  ILE   5          3HD1      ILE   5  12.733   7.125   1.818
   30    HA   PRO   6           HA       PRO   6   9.334   6.329   0.622
   31    HB3  PRO   6          2HB       PRO   6   8.333   8.395   0.543
   32    HG3  PRO   6          2HG       PRO   6   7.717   9.353  -1.484
   33    HD3  PRO   6          2HD       PRO   6   9.894   8.771  -1.966
   34    HA   PRO   7           HA       PRO   7   6.867   2.728   0.101
   35    HB3  PRO   7          2HB       PRO   7   6.737   2.579   2.390
   36    HG3  PRO   7          2HG       PRO   7   6.492   4.483   3.703
   37    HD3  PRO   7          2HD       PRO   7   8.264   5.138   2.383
   38    H    ILE   8           H        ILE   8   5.104   1.992  -0.995
   39    HA   ILE   8           HA       ILE   8   2.874   3.854  -1.443
   40    HB   ILE   8           HB       ILE   8   4.030   4.138  -3.449
   41   HG13  ILE   8          2HG1      ILE   8   2.462   3.490  -4.976
   42   HG21  ILE   8          1HG2      ILE   8   4.959   2.209  -4.751
   43   HG22  ILE   8          2HG2      ILE   8   5.761   2.521  -3.214
   44   HG23  ILE   8          3HG2      ILE   8   4.616   1.187  -3.355
   45   HD11  ILE   8          1HD1      ILE   8   2.732   0.746  -3.833
   46   HD12  ILE   8          2HD1      ILE   8   1.340   1.175  -4.828
   47   HD13  ILE   8          3HD1      ILE   8   2.969   1.298  -5.490
   48    H    CYS   9           H        CYS   9   0.892   2.952  -1.393
   49    HA   CYS   9           HA       CYS   9   0.762   0.030  -1.061
   50    HB3  CYS   9          2HB       CYS   9  -1.458   0.545   0.065
   51    H    HIS  10           H        HIS  10  -0.959  -1.128  -2.030
   52    HA   HIS  10           HA       HIS  10  -2.287   0.278  -4.252
   53    HB3  HIS  10          2HB       HIS  10  -0.429  -1.152  -5.063
   54    HD1  HIS  10          1HD       HIS  10  -2.943  -3.911  -4.677
   55    HD2  HIS  10          2HD       HIS  10   0.911  -2.968  -3.447
   56    HE1  HIS  10          1HE       HIS  10  -2.026  -6.022  -3.662
   57    H    DPN  11           H        DPN  11  -3.198  -0.411  -1.520
   58    HA   DPN  11           HA       DPN  11  -4.911  -2.615  -1.496
   59    HB2  DPN  11          2HB       DPN  11  -7.082  -1.153  -1.745
   60    HB3  DPN  11          3HB       DPN  11  -6.298  -1.829  -3.169
   61    HD1  DPN  11          1HD       DPN  11  -6.081  -0.431  -4.964
   62    HD2  DPN  11          2HD       DPN  11  -6.030   1.231  -1.046
   63    HE1  DPN  11          1HE       DPN  11  -5.881   1.824  -5.926
   64    HE2  DPN  11          2HE       DPN  11  -5.829   3.488  -2.001
   65    HZ   DPN  11           HZ       DPN  11  -5.754   3.789  -4.446
   66    HA   MMO  12           HA       NAR  12  -5.461  -0.748   2.412
   67   HCB1  MMO  12          2HB       NAR  12  -8.204  -1.199   1.423
   68   HCB2  MMO  12          3HB       NAR  12  -8.031  -1.204   3.172
   69   HCG1  MMO  12          2HG       NAR  12  -6.988   1.005   3.075
   70   HCG2  MMO  12          3HG       NAR  12  -7.171   1.008   1.321
   71   HCD1  MMO  12          2HD       NAR  12  -8.971   2.278   2.221
   72   HCD2  MMO  12          3HD       NAR  12  -9.638   0.741   1.671
   73   HH21  MMO  12          1HH1      NAR  12 -10.163  -0.919   2.209
   74   HH22  MMO  12          2HH1      NAR  12 -11.047  -1.836   3.384
   75   HH11  MMO  12          1HH2      NAR  12 -10.527   0.447   5.981
   76    HC1  MMO  12          2HN       NAR  12  -7.142  -3.534   0.917
   77    HC2  MMO  12          3HN       NAR  12  -5.710  -3.740  -0.119
   78    HC3  MMO  12           H        NAR  12  -7.111  -2.818  -0.714
   79    HE   MMO  12           HE       NAR  12  -9.367   1.645   4.425
   80   HH12  MMO  12          2HH2      NAR  12 -11.254  -1.058   5.529
   81    HA   E9M  13           HA       NTR  13  -3.967  -1.792   1.973
   82    HD1  E9M  13          1HD       NTR  13  -4.900  -2.258   6.072
   83    HB3  E9M  13          3HB       NTR  13  -2.628  -0.565   3.443
   84    HB2  E9M  13          2HB       NTR  13  -2.572  -1.865   4.630
   85    HE3  E9M  13          3HE       NTR  13  -3.735   1.568   2.890
   86    HE1  E9M  13          1HE       NTR  13  -6.639  -0.531   6.856
   87    HZ3  E9M  13          3HZ       NTR  13  -5.023   3.659   3.037
   88    HZ2  E9M  13          2HZ       NTR  13  -7.415   2.105   6.210
   89    HH2  E9M  13          2HH       NTR  13  -6.825   3.919   4.664
   90    HN3  E9M  13          3HN       NTR  13  -5.313  -4.172   5.062
   91    HN1  E9M  13           H        NTR  13  -3.616  -4.280   4.537
   92    HN2  E9M  13          2HN       NTR  13  -4.882  -5.150   3.640
   93    H    ARG  14           H        ARG  14  -3.189  -3.386   0.603
   94    HA   ARG  14           HA       ARG  14  -1.252  -5.310   1.555
   95    HB3  ARG  14          2HB       ARG  14  -1.143  -5.662  -1.082
   96    HG3  ARG  14          2HG       ARG  14  -2.001  -7.365   0.398
   97    HD3  ARG  14          2HD       ARG  14  -4.671  -7.107   0.615
   98    HE   ARG  14           HE       ARG  14  -3.258  -5.852   2.790
   99   HH11  ARG  14          1HH1      ARG  14  -4.011  -8.848   1.187
  100   HH12  ARG  14          2HH1      ARG  14  -3.712  -9.823   2.587
  101   HH21  ARG  14          1HH2      ARG  14  -2.862  -7.126   4.641
  102   HH22  ARG  14          2HH2      ARG  14  -3.059  -8.843   4.552
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   1.303  -2.303   1.510
    2    HA   CYS   1           HA       CYS   1   2.273  -0.987  -0.782
    3    HB3  CYS   1          2HB       CYS   1   4.311  -0.569   0.624
    4    H    THR   2           H        THR   2   4.096  -1.365  -2.061
    5    HA   THR   2           HA       THR   2   5.583  -3.829  -1.785
    6    HB   THR   2           HB       THR   2   3.520  -4.531  -3.003
    7    HG1  THR   2          1HG       THR   2   4.900  -5.292  -4.934
    8   HG21  THR   2          1HG2      THR   2   4.195  -3.504  -5.579
    9   HG22  THR   2          2HG2      THR   2   4.015  -2.153  -4.460
   10   HG23  THR   2          3HG2      THR   2   2.696  -3.306  -4.670
   11    H    ALA   3           H        ALA   3   6.085  -0.927  -1.860
   12    HA   ALA   3           HA       ALA   3   8.199  -0.985  -3.872
   13    HB1  ALA   3          1HB       ALA   3   7.185   1.641  -3.964
   14    HB2  ALA   3          2HB       ALA   3   7.201   0.435  -5.250
   15    HB3  ALA   3          3HB       ALA   3   5.811   0.554  -4.172
   16    H    SER   4           H        SER   4  10.026   0.086  -3.270
   17    HA   SER   4           HA       SER   4  10.519   0.582  -0.581
   18    HB3  SER   4          2HB       SER   4  12.656   1.337  -1.230
   19    HG   SER   4           HG       SER   4  12.421  -0.746  -1.985
   20    H    ILE   5           H        ILE   5  11.133   2.622   0.458
   21    HA   ILE   5           HA       ILE   5   9.106   4.481   0.525
   22    HB   ILE   5           HB       ILE   5  10.805   4.285   2.284
   23   HG13  ILE   5          2HG1      ILE   5  10.044   6.865   1.049
   24   HG21  ILE   5          1HG2      ILE   5  12.649   4.303   0.338
   25   HG22  ILE   5          2HG2      ILE   5  12.741   5.989   0.845
   26   HG23  ILE   5          3HG2      ILE   5  13.013   4.699   2.017
   27   HD11  ILE   5          1HD1      ILE   5   9.457   5.363   3.470
   28   HD12  ILE   5          2HD1      ILE   5   9.726   7.084   3.756
   29   HD13  ILE   5          3HD1      ILE   5   8.491   6.562   2.610
   30    HA   PRO   6           HA       PRO   6   8.204   6.314   0.596
   31    HB3  PRO   6          2HB       PRO   6   7.448   8.265  -0.355
   32    HG3  PRO   6          2HG       PRO   6   7.772   8.700  -2.617
   33    HD3  PRO   6          2HD       PRO   6   9.917   8.109  -2.016
   34    HA   PRO   7           HA       PRO   7   6.425   2.343  -0.227
   35    HB3  PRO   7          2HB       PRO   7   6.273   2.118   2.054
   36    HG3  PRO   7          2HG       PRO   7   5.874   3.959   3.418
   37    HD3  PRO   7          2HD       PRO   7   7.615   4.775   2.148
   38    H    ILE   8           H        ILE   8   5.135   1.969  -1.910
   39    HA   ILE   8           HA       ILE   8   2.749   3.633  -2.292
   40    HB   ILE   8           HB       ILE   8   3.795   1.657  -4.297
   41   HG13  ILE   8          2HG1      ILE   8   5.022   3.616  -5.314
   42   HG21  ILE   8          1HG2      ILE   8   2.833   3.886  -5.592
   43   HG22  ILE   8          2HG2      ILE   8   1.954   2.382  -5.326
   44   HG23  ILE   8          3HG2      ILE   8   1.756   3.729  -4.204
   45   HD11  ILE   8          1HD1      ILE   8   3.874   5.357  -3.897
   46   HD12  ILE   8          2HD1      ILE   8   4.903   4.820  -2.570
   47   HD13  ILE   8          3HD1      ILE   8   5.626   5.490  -4.034
   48    H    CYS   9           H        CYS   9   0.952   2.831  -1.435
   49    HA   CYS   9           HA       CYS   9   0.587  -0.073  -1.301
   50    HB3  CYS   9          2HB       CYS   9  -1.445   0.666   0.133
   51    H    HIS  10           H        HIS  10  -0.841  -1.116  -2.541
   52    HA   HIS  10           HA       HIS  10  -2.593   0.499  -4.264
   53    HB3  HIS  10          2HB       HIS  10  -0.954  -0.873  -5.469
   54    HD1  HIS  10          1HD       HIS  10  -3.219  -3.778  -5.100
   55    HD2  HIS  10          2HD       HIS  10   0.586  -2.653  -3.873
   56    HE1  HIS  10          1HE       HIS  10  -2.127  -5.889  -4.277
   57    H    DPN  11           H        DPN  11  -3.186  -0.314  -1.504
   58    HA   DPN  11           HA       DPN  11  -4.928  -2.489  -1.361
   59    HB2  DPN  11          2HB       DPN  11  -7.085  -0.982  -1.290
   60    HB3  DPN  11          3HB       DPN  11  -6.493  -1.621  -2.821
   61    HD1  DPN  11          1HD       DPN  11  -6.477  -0.162  -4.579
   62    HD2  DPN  11          2HD       DPN  11  -5.894   1.355  -0.644
   63    HE1  DPN  11          1HE       DPN  11  -6.347   2.124  -5.483
   64    HE2  DPN  11          2HE       DPN  11  -5.762   3.642  -1.542
   65    HZ   DPN  11           HZ       DPN  11  -5.988   4.029  -3.964
   66    HA   MMO  12           HA       NAR  12  -5.043  -0.696   2.633
   67   HCB1  MMO  12          2HB       NAR  12  -7.875  -1.698   2.356
   68   HCB2  MMO  12          3HB       NAR  12  -7.257  -0.996   3.846
   69   HCG1  MMO  12          2HG       NAR  12  -6.853   1.103   2.756
   70   HCG2  MMO  12          3HG       NAR  12  -7.279   0.414   1.187
   71   HCD1  MMO  12          2HD       NAR  12  -9.554   0.149   1.833
   72   HCD2  MMO  12          3HD       NAR  12  -9.183   0.522   3.517
   73   HH21  MMO  12          1HH1      NAR  12 -11.326   1.005   2.897
   74   HH22  MMO  12          2HH1      NAR  12 -12.347   2.402   2.792
   75   HH11  MMO  12          1HH2      NAR  12  -9.775   4.564   1.824
   76    HC1  MMO  12          2HN       NAR  12  -5.567  -3.662   0.057
   77    HC2  MMO  12          3HN       NAR  12  -7.016  -2.702  -0.325
   78    HC3  MMO  12           H        NAR  12  -6.859  -3.482   1.268
   79    HE   MMO  12           HE       NAR  12  -8.442   2.719   1.966
   80   HH12  MMO  12          2HH2      NAR  12 -11.465   4.426   2.180
   81    HA   E9M  13           HA       NTR  13  -3.510  -1.554   2.012
   82    HD1  E9M  13          1HD       NTR  13  -3.869  -2.277   6.187
   83    HB3  E9M  13          3HB       NTR  13  -2.311  -0.121   3.376
   84    HB2  E9M  13          2HB       NTR  13  -1.848  -1.401   4.493
   85    HE3  E9M  13          3HE       NTR  13  -3.822   1.798   3.098
   86    HE1  E9M  13          1HE       NTR  13  -5.766  -0.918   7.273
   87    HZ3  E9M  13          3HZ       NTR  13  -5.426   3.616   3.518
   88    HZ2  E9M  13          2HZ       NTR  13  -7.069   1.554   6.873
   89    HH2  E9M  13          2HH       NTR  13  -7.015   3.494   5.367
   90    HN3  E9M  13          3HN       NTR  13  -2.806  -3.833   4.828
   91    HN1  E9M  13           H        NTR  13  -3.404  -4.918   3.551
   92    HN2  E9M  13          2HN       NTR  13  -4.489  -4.414   4.871
   93    H    ARG  14           H        ARG  14  -2.364  -2.570   0.488
   94    HA   ARG  14           HA       ARG  14  -0.076  -4.222   1.327
   95    HB3  ARG  14          2HB       ARG  14  -0.252  -5.134  -1.047
   96    HG3  ARG  14          2HG       ARG  14  -2.437  -5.583   0.956
   97    HD3  ARG  14          2HD       ARG  14  -2.970  -6.061  -1.587
   98    HE   ARG  14           HE       ARG  14  -0.893  -7.904  -1.179
   99   HH11  ARG  14          1HH1      ARG  14  -4.139  -7.755  -2.429
  100   HH12  ARG  14          2HH1      ARG  14  -3.909  -9.062  -3.544
  101   HH21  ARG  14          1HH2      ARG  14  -0.578  -9.626  -2.642
  102   HH22  ARG  14          2HH2      ARG  14  -1.885 -10.126  -3.663
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   1.097  -1.925   1.638
    2    HA   CYS   1           HA       CYS   1   2.304  -0.831  -0.569
    3    HB3  CYS   1          2HB       CYS   1   4.285  -0.419   0.941
    4    H    THR   2           H        THR   2   4.083  -1.281  -1.835
    5    HA   THR   2           HA       THR   2   5.716  -3.599  -1.402
    6    HB   THR   2           HB       THR   2   3.716  -4.677  -2.350
    7    HG1  THR   2          1HG       THR   2   5.981  -5.304  -2.912
    8   HG21  THR   2          1HG2      THR   2   3.717  -2.403  -4.051
    9   HG22  THR   2          2HG2      THR   2   2.539  -3.715  -3.975
   10   HG23  THR   2          3HG2      THR   2   3.924  -3.834  -5.062
   11    H    ALA   3           H        ALA   3   5.963  -0.705  -1.884
   12    HA   ALA   3           HA       ALA   3   7.812  -0.859  -4.162
   13    HB1  ALA   3          1HB       ALA   3   6.122   1.573  -3.644
   14    HB2  ALA   3          2HB       ALA   3   7.108   1.204  -5.061
   15    HB3  ALA   3          3HB       ALA   3   5.631   0.290  -4.751
   16    H    SER   4           H        SER   4   9.733   0.190  -3.901
   17    HA   SER   4           HA       SER   4  10.771   0.630  -1.391
   18    HB3  SER   4          2HB       SER   4  11.886   2.339  -3.542
   19    HG   SER   4           HG       SER   4  13.279   0.248  -2.361
   20    H    ILE   5           H        ILE   5  11.386   2.549  -0.256
   21    HA   ILE   5           HA       ILE   5   9.373   4.343   0.254
   22    HB   ILE   5           HB       ILE   5  12.306   5.005   0.519
   23   HG13  ILE   5          2HG1      ILE   5  12.044   4.044   2.832
   24   HG21  ILE   5          1HG2      ILE   5  10.698   6.852   0.884
   25   HG22  ILE   5          2HG2      ILE   5   9.939   5.899   2.158
   26   HG23  ILE   5          3HG2      ILE   5  11.611   6.431   2.334
   27   HD11  ILE   5          1HD1      ILE   5  10.168   3.139   3.581
   28   HD12  ILE   5          2HD1      ILE   5   9.357   3.834   2.175
   29   HD13  ILE   5          3HD1      ILE   5   9.970   2.181   2.113
   30    HA   PRO   6           HA       PRO   6   8.542   6.196   0.674
   31    HB3  PRO   6          2HB       PRO   6   7.665   8.225   0.047
   32    HG3  PRO   6          2HG       PRO   6   7.595   8.861  -2.189
   33    HD3  PRO   6          2HD       PRO   6   9.802   8.213  -2.029
   34    HA   PRO   7           HA       PRO   7   6.395   2.409  -0.016
   35    HB3  PRO   7          2HB       PRO   7   6.217   2.255   2.270
   36    HG3  PRO   7          2HG       PRO   7   5.896   4.151   3.578
   37    HD3  PRO   7          2HD       PRO   7   7.683   4.849   2.300
   38    H    ILE   8           H        ILE   8   5.006   1.927  -1.586
   39    HA   ILE   8           HA       ILE   8   2.681   3.687  -2.004
   40    HB   ILE   8           HB       ILE   8   4.072   1.898  -4.002
   41   HG13  ILE   8          2HG1      ILE   8   5.390   3.882  -3.421
   42   HG21  ILE   8          1HG2      ILE   8   2.598   2.962  -5.655
   43   HG22  ILE   8          2HG2      ILE   8   1.692   2.047  -4.449
   44   HG23  ILE   8          3HG2      ILE   8   1.765   3.807  -4.350
   45   HD11  ILE   8          1HD1      ILE   8   5.239   3.143  -5.830
   46   HD12  ILE   8          2HD1      ILE   8   4.094   4.465  -6.061
   47   HD13  ILE   8          3HD1      ILE   8   5.746   4.807  -5.547
   48    H    CYS   9           H        CYS   9   0.883   2.832  -1.201
   49    HA   CYS   9           HA       CYS   9   0.557  -0.074  -1.144
   50    HB3  CYS   9          2HB       CYS   9  -1.473   0.507   0.270
   51    H    HIS  10           H        HIS  10  -0.750  -1.122  -2.497
   52    HA   HIS  10           HA       HIS  10  -2.476   0.473  -4.261
   53    HB3  HIS  10          2HB       HIS  10  -0.747  -0.880  -5.381
   54    HD1  HIS  10          1HD       HIS  10  -3.134  -3.731  -4.980
   55    HD2  HIS  10          2HD       HIS  10   0.768  -2.743  -3.950
   56    HE1  HIS  10          1HE       HIS  10  -2.085  -5.875  -4.189
   57    H    DPN  11           H        DPN  11  -3.178  -0.367  -1.536
   58    HA   DPN  11           HA       DPN  11  -4.885  -2.570  -1.478
   59    HB2  DPN  11          2HB       DPN  11  -7.069  -1.096  -1.500
   60    HB3  DPN  11          3HB       DPN  11  -6.403  -1.734  -3.000
   61    HD1  DPN  11          1HD       DPN  11  -6.347  -0.278  -4.763
   62    HD2  DPN  11          2HD       DPN  11  -5.924   1.258  -0.817
   63    HE1  DPN  11          1HE       DPN  11  -6.212   2.004  -5.671
   64    HE2  DPN  11          2HE       DPN  11  -5.786   3.544  -1.719
   65    HZ   DPN  11           HZ       DPN  11  -5.932   3.919  -4.148
   66    HA   MMO  12           HA       NAR  12  -5.229  -0.781   2.506
   67   HCB1  MMO  12          2HB       NAR  12  -8.013  -1.853   2.078
   68   HCB2  MMO  12          3HB       NAR  12  -7.493  -1.185   3.620
   69   HCG1  MMO  12          2HG       NAR  12  -6.885   0.917   2.371
   70   HCG2  MMO  12          3HG       NAR  12  -7.720   0.226   0.978
   71   HCD1  MMO  12          2HD       NAR  12  -9.726  -0.056   2.504
   72   HCD2  MMO  12          3HD       NAR  12  -8.866   0.959   3.662
   73   HH21  MMO  12          1HH1      NAR  12 -10.031  -0.118   0.577
   74   HH22  MMO  12          2HH1      NAR  12 -10.810   0.713  -0.727
   75   HH11  MMO  12          1HH2      NAR  12 -10.335   3.897   0.638
   76    HC1  MMO  12          2HN       NAR  12  -6.922  -3.605   1.055
   77    HC2  MMO  12          3HN       NAR  12  -5.571  -3.758  -0.093
   78    HC3  MMO  12           H        NAR  12  -7.018  -2.822  -0.542
   79    HE   MMO  12           HE       NAR  12  -9.311   2.790   2.349
   80   HH12  MMO  12          2HH2      NAR  12 -10.982   2.998  -0.692
   81    HA   E9M  13           HA       NTR  13  -3.641  -1.580   1.965
   82    HD1  E9M  13          1HD       NTR  13  -4.193  -2.328   6.112
   83    HB3  E9M  13          3HB       NTR  13  -2.576  -0.102   3.390
   84    HB2  E9M  13          2HB       NTR  13  -2.119  -1.365   4.530
   85    HE3  E9M  13          3HE       NTR  13  -4.141   1.758   3.041
   86    HE1  E9M  13          1HE       NTR  13  -6.194  -1.048   7.101
   87    HZ3  E9M  13          3HZ       NTR  13  -5.833   3.512   3.380
   88    HZ2  E9M  13          2HZ       NTR  13  -7.569   1.374   6.641
   89    HH2  E9M  13          2HH       NTR  13  -7.512   3.320   5.144
   90    HN3  E9M  13          3HN       NTR  13  -3.052  -3.821   4.865
   91    HN1  E9M  13           H        NTR  13  -3.421  -4.912   3.507
   92    HN2  E9M  13          2HN       NTR  13  -4.676  -4.529   4.710
   93    H    ARG  14           H        ARG  14  -2.376  -2.549   0.506
   94    HA   ARG  14           HA       ARG  14  -0.067  -4.101   1.471
   95    HB3  ARG  14          2HB       ARG  14  -0.138  -4.897  -1.033
   96    HG3  ARG  14          2HG       ARG  14  -2.213  -5.834   0.938
   97    HD3  ARG  14          2HD       ARG  14  -0.924  -7.581  -1.098
   98    HE   ARG  14           HE       ARG  14  -2.465  -8.903  -0.059
   99   HH11  ARG  14          1HH1      ARG  14  -3.873  -5.767  -0.610
  100   HH12  ARG  14          2HH1      ARG  14  -5.451  -6.236  -0.067
  101   HH21  ARG  14          1HH2      ARG  14  -4.537  -9.533   0.658
  102   HH22  ARG  14          2HH2      ARG  14  -5.827  -8.379   0.653
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1  -0.510  -2.205  -0.161
    2    HA   CYS   1           HA       CYS   1   1.358  -1.067  -0.882
    3    HB3  CYS   1          2HB       CYS   1   2.660  -0.233   0.952
    4    H    THR   2           H        THR   2   3.857  -1.029  -0.840
    5    HA   THR   2           HA       THR   2   4.843  -3.794  -1.124
    6    HB   THR   2           HB       THR   2   4.546  -2.632  -3.310
    7    HG1  THR   2          1HG       THR   2   6.273  -4.228  -2.821
    8   HG21  THR   2          1HG2      THR   2   6.928  -0.971  -2.992
    9   HG22  THR   2          2HG2      THR   2   5.568  -0.436  -2.004
   10   HG23  THR   2          3HG2      THR   2   5.381  -0.596  -3.750
   11    H    ALA   3           H        ALA   3   5.035  -1.316   0.870
   12    HA   ALA   3           HA       ALA   3   6.592  -0.415   2.279
   13    HB1  ALA   3          1HB       ALA   3   6.524  -2.842   2.923
   14    HB2  ALA   3          2HB       ALA   3   7.984  -3.065   1.959
   15    HB3  ALA   3          3HB       ALA   3   8.007  -1.990   3.357
   16    H    SER   4           H        SER   4   7.135   0.904   0.231
   17    HA   SER   4           HA       SER   4   9.967   0.479  -0.461
   18    HB3  SER   4          2HB       SER   4   7.942   2.015  -2.098
   19    HG   SER   4           HG       SER   4   9.511   1.939  -3.652
   20    H    ILE   5           H        ILE   5  10.771   2.798  -1.413
   21    HA   ILE   5           HA       ILE   5  10.015   4.890   0.494
   22    HB   ILE   5           HB       ILE   5  12.861   4.023  -0.026
   23   HG13  ILE   5          2HG1      ILE   5  12.914   3.447   2.337
   24   HG21  ILE   5          1HG2      ILE   5  13.370   5.772   1.720
   25   HG22  ILE   5          2HG2      ILE   5  12.869   6.383   0.145
   26   HG23  ILE   5          3HG2      ILE   5  11.725   6.361   1.488
   27   HD11  ILE   5          1HD1      ILE   5  11.516   4.427   3.749
   28   HD12  ILE   5          2HD1      ILE   5  10.433   4.924   2.449
   29   HD13  ILE   5          3HD1      ILE   5  10.282   3.316   3.158
   30    HA   PRO   6           HA       PRO   6   9.040   6.490   0.372
   31    HB3  PRO   6          2HB       PRO   6   8.357   8.501  -0.504
   32    HG3  PRO   6          2HG       PRO   6   8.475   8.917  -2.789
   33    HD3  PRO   6          2HD       PRO   6  10.613   8.141  -2.415
   34    HA   PRO   7           HA       PRO   7   6.743   2.758  -0.152
   35    HB3  PRO   7          2HB       PRO   7   6.566   2.723   2.138
   36    HG3  PRO   7          2HG       PRO   7   6.362   4.694   3.356
   37    HD3  PRO   7          2HD       PRO   7   8.181   5.226   2.044
   38    H    ILE   8           H        ILE   8   4.797   1.972  -0.991
   39    HA   ILE   8           HA       ILE   8   2.806   3.984  -1.792
   40    HB   ILE   8           HB       ILE   8   2.675   3.216  -3.997
   41   HG13  ILE   8          2HG1      ILE   8   3.859   0.763  -2.866
   42   HG21  ILE   8          1HG2      ILE   8   5.598   3.142  -3.261
   43   HG22  ILE   8          2HG2      ILE   8   4.950   3.402  -4.881
   44   HG23  ILE   8          3HG2      ILE   8   4.649   4.587  -3.609
   45   HD11  ILE   8          1HD1      ILE   8   1.591   1.475  -4.415
   46   HD12  ILE   8          2HD1      ILE   8   2.553   0.309  -5.323
   47   HD13  ILE   8          3HD1      ILE   8   2.000  -0.082  -3.695
   48    H    CYS   9           H        CYS   9   0.681   3.230  -2.028
   49    HA   CYS   9           HA       CYS   9   0.193   0.531  -0.949
   50    HB3  CYS   9          2HB       CYS   9  -2.053   1.745  -0.200
   51    H    HIS  10           H        HIS  10  -1.031  -0.767  -2.158
   52    HA   HIS  10           HA       HIS  10  -2.632   0.445  -4.316
   53    HB3  HIS  10          2HB       HIS  10  -0.843  -0.617  -5.428
   54    HD1  HIS  10          1HD       HIS  10   1.278  -1.754  -4.926
   55    HD2  HIS  10          2HD       HIS  10  -1.944  -3.667  -3.134
   56    HE1  HIS  10          1HE       HIS  10   2.260  -3.718  -3.698
   57    H    DPN  11           H        DPN  11  -3.460  -0.267  -1.613
   58    HA   DPN  11           HA       DPN  11  -4.836  -2.719  -1.546
   59    HB2  DPN  11          2HB       DPN  11  -7.016  -2.208  -2.193
   60    HB3  DPN  11          3HB       DPN  11  -6.054  -1.376  -3.409
   61    HD1  DPN  11          1HD       DPN  11  -5.244   1.075  -2.242
   62    HD2  DPN  11          2HD       DPN  11  -8.913  -1.019  -1.721
   63    HE1  DPN  11          1HE       DPN  11  -6.367   3.191  -1.681
   64    HE2  DPN  11          2HE       DPN  11 -10.043   1.094  -1.159
   65    HZ   DPN  11           HZ       DPN  11  -8.769   3.202  -1.140
   66    HA   MMO  12           HA       NAR  12  -5.460  -0.988   2.407
   67   HCB1  MMO  12          2HB       NAR  12  -8.187  -2.021   1.695
   68   HCB2  MMO  12          3HB       NAR  12  -7.829  -1.511   3.339
   69   HCG1  MMO  12          2HG       NAR  12  -6.934   0.640   2.073
   70   HCG2  MMO  12          3HG       NAR  12  -8.104   0.097   0.869
   71   HCD1  MMO  12          2HD       NAR  12  -8.837   0.345   3.766
   72   HCD2  MMO  12          3HD       NAR  12  -8.896   1.734   2.683
   73   HH21  MMO  12          1HH1      NAR  12 -10.512   2.257   3.725
   74   HH22  MMO  12          2HH1      NAR  12 -12.237   2.380   3.604
   75   HH11  MMO  12          1HH2      NAR  12 -12.580  -0.405   1.518
   76    HC1  MMO  12          2HN       NAR  12  -6.718  -4.000   0.952
   77    HC2  MMO  12          3HN       NAR  12  -5.298  -3.959  -0.119
   78    HC3  MMO  12           H        NAR  12  -6.854  -3.305  -0.681
   79    HE   MMO  12           HE       NAR  12 -10.310  -0.556   1.683
   80   HH12  MMO  12          2HH2      NAR  12 -13.411   0.865   2.350
   81    HA   E9M  13           HA       NTR  13  -3.834  -1.833   1.918
   82    HD1  E9M  13          1HD       NTR  13  -4.548  -2.526   6.047
   83    HB3  E9M  13          3HB       NTR  13  -2.817  -0.341   3.358
   84    HB2  E9M  13          2HB       NTR  13  -2.405  -1.589   4.532
   85    HE3  E9M  13          3HE       NTR  13  -4.340   1.539   2.952
   86    HE1  E9M  13          1HE       NTR  13  -6.565  -1.215   6.959
   87    HZ3  E9M  13          3HZ       NTR  13  -6.023   3.313   3.223
   88    HZ2  E9M  13          2HZ       NTR  13  -7.895   1.219   6.435
   89    HH2  E9M  13          2HH       NTR  13  -7.762   3.155   4.927
   90    HN3  E9M  13          3HN       NTR  13  -3.953  -5.217   3.520
   91    HN1  E9M  13           H        NTR  13  -4.956  -4.568   4.840
   92    HN2  E9M  13          2HN       NTR  13  -3.241  -4.104   4.713
   93    H    ARG  14           H        ARG  14  -2.946  -3.616   0.713
   94    HA   ARG  14           HA       ARG  14  -0.904  -5.301   1.542
   95    HB3  ARG  14          2HB       ARG  14  -0.261  -5.182  -0.994
   96    HG3  ARG  14          2HG       ARG  14  -1.771  -6.899   0.200
   97    HD3  ARG  14          2HD       ARG  14  -3.769  -5.110  -1.156
   98    HE   ARG  14           HE       ARG  14  -4.819  -7.033  -1.789
   99   HH11  ARG  14          1HH1      ARG  14  -3.327  -7.545   1.314
  100   HH12  ARG  14          2HH1      ARG  14  -4.014  -9.120   1.531
  101   HH21  ARG  14          1HH2      ARG  14  -5.731  -9.106  -1.514
  102   HH22  ARG  14          2HH2      ARG  14  -5.381 -10.007  -0.079
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   1.010  -1.946   1.620
    2    HA   CYS   1           HA       CYS   1   2.332  -0.797  -0.550
    3    HB3  CYS   1          2HB       CYS   1   4.242  -0.505   1.118
    4    H    THR   2           H        THR   2   3.932  -1.436  -1.878
    5    HA   THR   2           HA       THR   2   5.545  -3.765  -1.266
    6    HB   THR   2           HB       THR   2   3.489  -4.702  -2.333
    7    HG1  THR   2          1HG       THR   2   4.807  -6.159  -3.110
    8   HG21  THR   2          1HG2      THR   2   2.603  -3.759  -4.147
    9   HG22  THR   2          2HG2      THR   2   4.098  -4.034  -5.041
   10   HG23  THR   2          3HG2      THR   2   3.881  -2.544  -4.123
   11    H    ALA   3           H        ALA   3   5.974  -0.908  -1.730
   12    HA   ALA   3           HA       ALA   3   7.929  -1.158  -3.904
   13    HB1  ALA   3          1HB       ALA   3   6.424   0.064  -5.107
   14    HB2  ALA   3          2HB       ALA   3   5.743   0.843  -3.677
   15    HB3  ALA   3          3HB       ALA   3   7.299   1.374  -4.314
   16    H    SER   4           H        SER   4   9.654   0.459  -3.795
   17    HA   SER   4           HA       SER   4  10.816   0.629  -1.275
   18    HB3  SER   4          2HB       SER   4  11.390   2.500  -3.581
   19    HG   SER   4           HG       SER   4  13.545   1.618  -2.322
   20    H    ILE   5           H        ILE   5  11.667   2.986  -0.559
   21    HA   ILE   5           HA       ILE   5   9.271   4.347   0.342
   22    HB   ILE   5           HB       ILE   5  12.090   5.158   1.002
   23   HG13  ILE   5          2HG1      ILE   5  11.932   3.656   2.971
   24   HG21  ILE   5          1HG2      ILE   5  10.149   6.619   1.608
   25   HG22  ILE   5          2HG2      ILE   5   9.575   5.318   2.649
   26   HG23  ILE   5          3HG2      ILE   5  11.129   6.088   2.975
   27   HD11  ILE   5          1HD1      ILE   5   9.515   3.368   3.098
   28   HD12  ILE   5          2HD1      ILE   5   9.541   2.482   1.573
   29   HD13  ILE   5          3HD1      ILE   5  10.351   1.820   2.993
   30    HA   PRO   6           HA       PRO   6   8.318   6.088   0.912
   31    HB3  PRO   6          2HB       PRO   6   7.428   8.162   0.479
   32    HG3  PRO   6          2HG       PRO   6   7.572   9.111  -1.638
   33    HD3  PRO   6          2HD       PRO   6   9.774   8.508  -1.323
   34    HA   PRO   7           HA       PRO   7   6.657   2.312  -0.715
   35    HB3  PRO   7          2HB       PRO   7   6.758   1.529   1.442
   36    HG3  PRO   7          2HG       PRO   7   6.433   2.952   3.252
   37    HD3  PRO   7          2HD       PRO   7   7.996   4.164   2.070
   38    H    ILE   8           H        ILE   8   5.031   1.905  -2.081
   39    HA   ILE   8           HA       ILE   8   2.671   3.659  -1.986
   40    HB   ILE   8           HB       ILE   8   3.760   2.030  -4.286
   41   HG13  ILE   8          2HG1      ILE   8   4.087   4.842  -3.400
   42   HG21  ILE   8          1HG2      ILE   8   1.650   2.123  -5.025
   43   HG22  ILE   8          2HG2      ILE   8   1.191   3.342  -3.838
   44   HG23  ILE   8          3HG2      ILE   8   1.985   3.826  -5.336
   45   HD11  ILE   8          1HD1      ILE   8   5.765   3.186  -5.264
   46   HD12  ILE   8          2HD1      ILE   8   6.212   4.690  -4.458
   47   HD13  ILE   8          3HD1      ILE   8   5.970   3.221  -3.512
   48    H    CYS   9           H        CYS   9   0.825   2.821  -1.301
   49    HA   CYS   9           HA       CYS   9   0.543  -0.086  -1.146
   50    HB3  CYS   9          2HB       CYS   9  -1.499   0.517   0.245
   51    H    HIS  10           H        HIS  10  -0.799  -1.213  -2.408
   52    HA   HIS  10           HA       HIS  10  -2.529   0.289  -4.252
   53    HB3  HIS  10          2HB       HIS  10  -0.822  -1.067  -5.357
   54    HD1  HIS  10          1HD       HIS  10   0.837  -2.663  -4.384
   55    HD2  HIS  10          2HD       HIS  10  -3.056  -4.098  -4.168
   56    HE1  HIS  10          1HE       HIS  10   1.038  -5.034  -3.571
   57    H    DPN  11           H        DPN  11  -3.304  -0.313  -1.545
   58    HA   DPN  11           HA       DPN  11  -4.971  -2.574  -1.378
   59    HB2  DPN  11          2HB       DPN  11  -7.132  -1.716  -1.817
   60    HB3  DPN  11          3HB       DPN  11  -6.148  -1.205  -3.183
   61    HD1  DPN  11          1HD       DPN  11  -4.899   1.164  -2.634
   62    HD2  DPN  11          2HD       DPN  11  -8.629  -0.164  -1.069
   63    HE1  DPN  11          1HE       DPN  11  -5.559   3.501  -2.234
   64    HE2  DPN  11          2HE       DPN  11  -9.294   2.170  -0.666
   65    HZ   DPN  11           HZ       DPN  11  -7.759   4.007  -1.249
   66    HA   MMO  12           HA       NAR  12  -5.202  -0.690   2.560
   67   HCB1  MMO  12          2HB       NAR  12  -7.965  -1.755   2.095
   68   HCB2  MMO  12          3HB       NAR  12  -7.479  -1.265   3.714
   69   HCG1  MMO  12          2HG       NAR  12  -6.834   0.959   2.716
   70   HCG2  MMO  12          3HG       NAR  12  -7.646   0.431   1.241
   71   HCD1  MMO  12          2HD       NAR  12  -9.092   1.810   2.690
   72   HCD2  MMO  12          3HD       NAR  12  -9.733   0.187   2.430
   73   HH21  MMO  12          1HH1      NAR  12 -11.188   1.485   3.529
   74   HH22  MMO  12          2HH1      NAR  12 -11.971   1.526   5.074
   75   HH11  MMO  12          1HH2      NAR  12  -9.230   0.240   6.822
   76    HC1  MMO  12          2HN       NAR  12  -6.752  -3.657   1.255
   77    HC2  MMO  12          3HN       NAR  12  -5.396  -3.760   0.107
   78    HC3  MMO  12           H        NAR  12  -6.913  -2.971  -0.379
   79    HE   MMO  12           HE       NAR  12  -8.209   0.188   4.783
   80   HH12  MMO  12          2HH2      NAR  12 -10.856   0.819   6.946
   81    HA   E9M  13           HA       NTR  13  -3.623  -1.489   1.974
   82    HD1  E9M  13          1HD       NTR  13  -4.055  -2.048   6.139
   83    HB3  E9M  13          3HB       NTR  13  -2.397  -0.013   3.297
   84    HB2  E9M  13          2HB       NTR  13  -1.980  -1.255   4.475
   85    HE3  E9M  13          3HE       NTR  13  -3.892   1.899   2.895
   86    HE1  E9M  13          1HE       NTR  13  -5.975  -0.640   7.113
   87    HZ3  E9M  13          3HZ       NTR  13  -5.500   3.738   3.193
   88    HZ2  E9M  13          2HZ       NTR  13  -7.254   1.820   6.575
   89    HH2  E9M  13          2HH       NTR  13  -7.144   3.697   4.996
   90    HN3  E9M  13          3HN       NTR  13  -4.437  -4.222   4.999
   91    HN1  E9M  13           H        NTR  13  -2.754  -3.687   4.771
   92    HN2  E9M  13          2HN       NTR  13  -3.483  -4.848   3.634
   93    H    ARG  14           H        ARG  14  -2.455  -2.483   0.456
   94    HA   ARG  14           HA       ARG  14  -0.159  -4.120   1.284
   95    HB3  ARG  14          2HB       ARG  14  -0.279  -4.797  -1.228
   96    HG3  ARG  14          2HG       ARG  14  -1.108  -6.108   0.885
   97    HD3  ARG  14          2HD       ARG  14  -3.700  -5.737  -0.592
   98    HE   ARG  14           HE       ARG  14  -3.734  -6.680   2.111
   99   HH11  ARG  14          1HH1      ARG  14  -3.331  -7.624  -1.217
  100   HH12  ARG  14          2HH1      ARG  14  -3.823  -9.263  -0.946
  101   HH21  ARG  14          1HH2      ARG  14  -4.383  -8.835   2.479
  102   HH22  ARG  14          2HH2      ARG  14  -4.420  -9.950   1.156
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   1.506  -4.001   0.798
    2    HA   CYS   1           HA       CYS   1   1.605  -1.407  -0.450
    3    HB3  CYS   1          2HB       CYS   1   2.710  -0.340   1.558
    4    H    THR   2           H        THR   2   3.867  -0.570  -0.534
    5    HA   THR   2           HA       THR   2   5.642  -2.701  -1.245
    6    HB   THR   2           HB       THR   2   5.489  -0.443  -2.409
    7    HG1  THR   2          1HG       THR   2   7.231  -1.956  -2.723
    8   HG21  THR   2          1HG2      THR   2   7.505   0.569  -0.471
    9   HG22  THR   2          2HG2      THR   2   5.803   0.675  -0.020
   10   HG23  THR   2          3HG2      THR   2   6.375   1.456  -1.494
   11    H    ALA   3           H        ALA   3   8.128  -1.957  -0.551
   12    HA   ALA   3           HA       ALA   3   8.135  -1.883   2.393
   13    HB1  ALA   3          1HB       ALA   3  10.213  -3.443   2.092
   14    HB2  ALA   3          2HB       ALA   3   8.583  -4.116   2.088
   15    HB3  ALA   3          3HB       ALA   3   9.430  -3.850   0.564
   16    H    SER   4           H        SER   4   9.151  -0.463  -0.421
   17    HA   SER   4           HA       SER   4  11.543   0.680   0.870
   18    HB3  SER   4          2HB       SER   4  11.819  -0.661  -1.312
   19    HG   SER   4           HG       SER   4  10.423   0.044  -2.752
   20    H    ILE   5           H        ILE   5  12.040   2.943   0.074
   21    HA   ILE   5           HA       ILE   5   9.570   4.512   0.213
   22    HB   ILE   5           HB       ILE   5  12.278   4.879   1.207
   23   HG13  ILE   5          2HG1      ILE   5   9.662   6.288   1.787
   24   HG21  ILE   5          1HG2      ILE   5  12.324   7.335   0.877
   25   HG22  ILE   5          2HG2      ILE   5  12.526   6.424  -0.618
   26   HG23  ILE   5          3HG2      ILE   5  10.974   7.174  -0.247
   27   HD11  ILE   5          1HD1      ILE   5   9.188   4.133   2.428
   28   HD12  ILE   5          2HD1      ILE   5  10.860   3.782   2.869
   29   HD13  ILE   5          3HD1      ILE   5   9.871   4.814   3.904
   30    HA   PRO   6           HA       PRO   6   9.014   6.666  -0.067
   31    HB3  PRO   6          2HB       PRO   6   8.367   8.371  -1.463
   32    HG3  PRO   6          2HG       PRO   6   8.341   8.087  -3.771
   33    HD3  PRO   6          2HD       PRO   6  10.460   7.313  -3.300
   34    HA   PRO   7           HA       PRO   7   6.205   3.384   0.751
   35    HB3  PRO   7          2HB       PRO   7   5.572   4.502   2.655
   36    HG3  PRO   7          2HG       PRO   7   5.339   6.815   2.667
   37    HD3  PRO   7          2HD       PRO   7   7.428   6.631   1.712
   38    H    ILE   8           H        ILE   8   4.623   2.190  -0.212
   39    HA   ILE   8           HA       ILE   8   2.811   3.530  -2.092
   40    HB   ILE   8           HB       ILE   8   4.798   1.408  -2.720
   41   HG13  ILE   8          2HG1      ILE   8   4.564   3.975  -3.465
   42   HG21  ILE   8          1HG2      ILE   8   3.309   0.806  -4.720
   43   HG22  ILE   8          2HG2      ILE   8   2.920   0.095  -3.155
   44   HG23  ILE   8          3HG2      ILE   8   1.985   1.464  -3.758
   45   HD11  ILE   8          1HD1      ILE   8   6.216   1.988  -4.205
   46   HD12  ILE   8          2HD1      ILE   8   5.395   2.307  -5.734
   47   HD13  ILE   8          3HD1      ILE   8   6.246   3.608  -4.901
   48    H    CYS   9           H        CYS   9   0.779   2.718  -2.155
   49    HA   CYS   9           HA       CYS   9   0.237   0.131  -0.903
   50    HB3  CYS   9          2HB       CYS   9  -1.640   1.105   0.395
   51    H    HIS  10           H        HIS  10  -0.698  -0.958  -2.506
   52    HA   HIS  10           HA       HIS  10  -2.544   0.432  -4.309
   53    HB3  HIS  10          2HB       HIS  10  -0.744  -0.857  -5.363
   54    HD1  HIS  10          1HD       HIS  10  -2.985  -3.744  -4.363
   55    HD2  HIS  10          2HD       HIS  10   1.013  -2.620  -4.242
   56    HE1  HIS  10          1HE       HIS  10  -1.740  -5.774  -3.554
   57    H    DPN  11           H        DPN  11  -3.228  -0.333  -1.548
   58    HA   DPN  11           HA       DPN  11  -4.821  -2.620  -1.425
   59    HB2  DPN  11          2HB       DPN  11  -7.083  -1.342  -1.533
   60    HB3  DPN  11          3HB       DPN  11  -6.321  -1.854  -3.035
   61    HD1  DPN  11          1HD       DPN  11  -6.231  -0.327  -4.741
   62    HD2  DPN  11          2HD       DPN  11  -6.303   1.076  -0.723
   63    HE1  DPN  11          1HE       DPN  11  -6.282   1.994  -5.555
   64    HE2  DPN  11          2HE       DPN  11  -6.354   3.399  -1.531
   65    HZ   DPN  11           HZ       DPN  11  -6.344   3.861  -3.950
   66    HA   MMO  12           HA       NAR  12  -5.175  -0.814   2.531
   67   HCB1  MMO  12          2HB       NAR  12  -7.956  -1.402   1.735
   68   HCB2  MMO  12          3HB       NAR  12  -7.656  -1.400   3.468
   69   HCG1  MMO  12          2HG       NAR  12  -7.034   0.843   3.483
   70   HCG2  MMO  12          3HG       NAR  12  -6.747   0.871   1.741
   71   HCD1  MMO  12          2HD       NAR  12  -8.864   2.006   2.597
   72   HCD2  MMO  12          3HD       NAR  12  -9.037   0.881   1.252
   73   HH21  MMO  12          1HH1      NAR  12 -10.930   1.373   1.184
   74   HH22  MMO  12          2HH1      NAR  12 -12.523   0.789   1.536
   75   HH11  MMO  12          1HH2      NAR  12 -11.533  -1.085   4.317
   76    HC1  MMO  12          2HN       NAR  12  -5.425  -3.804   0.009
   77    HC2  MMO  12          3HN       NAR  12  -6.916  -2.969  -0.489
   78    HC3  MMO  12           H        NAR  12  -6.797  -3.683   1.136
   79    HE   MMO  12           HE       NAR  12  -9.441  -0.308   3.843
   80   HH12  MMO  12          2HH2      NAR  12 -12.865  -0.608   3.319
   81    HA   E9M  13           HA       NTR  13  -3.675  -1.776   1.971
   82    HD1  E9M  13          1HD       NTR  13  -4.389  -2.206   6.067
   83    HB3  E9M  13          3HB       NTR  13  -2.170  -0.586   3.349
   84    HB2  E9M  13          2HB       NTR  13  -2.105  -1.881   4.540
   85    HE3  E9M  13          3HE       NTR  13  -3.241   1.572   2.821
   86    HE1  E9M  13          1HE       NTR  13  -6.053  -0.430   6.903
   87    HZ3  E9M  13          3HZ       NTR  13  -4.469   3.696   3.001
   88    HZ2  E9M  13          2HZ       NTR  13  -6.785   2.223   6.269
   89    HH2  E9M  13          2HH       NTR  13  -6.205   4.013   4.691
   90    HN3  E9M  13          3HN       NTR  13  -4.985  -4.827   4.434
   91    HN1  E9M  13           H        NTR  13  -3.605  -3.953   5.140
   92    HN2  E9M  13          2HN       NTR  13  -3.379  -4.941   3.679
   93    H    ARG  14           H        ARG  14  -2.744  -2.988   0.423
   94    HA   ARG  14           HA       ARG  14  -0.644  -4.887   1.191
   95    HB3  ARG  14          2HB       ARG  14  -0.900  -5.483  -1.346
   96    HG3  ARG  14          2HG       ARG  14  -3.098  -6.141   0.603
   97    HD3  ARG  14          2HD       ARG  14  -3.272  -6.628  -1.994
   98    HE   ARG  14           HE       ARG  14  -1.608  -8.074  -2.603
   99   HH11  ARG  14          1HH1      ARG  14  -2.854  -9.024   0.506
  100   HH12  ARG  14          2HH1      ARG  14  -1.950 -10.501   0.563
  101   HH21  ARG  14          1HH2      ARG  14  -0.413 -10.016  -2.540
  102   HH22  ARG  14          2HH2      ARG  14  -0.561 -11.063  -1.169
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   1.561  -2.607   1.455
    2    HA   CYS   1           HA       CYS   1   2.123  -1.116  -0.946
    3    HB3  CYS   1          2HB       CYS   1   4.267  -0.565   0.246
    4    H    THR   2           H        THR   2   4.058  -1.377  -2.220
    5    HA   THR   2           HA       THR   2   5.475  -3.898  -2.072
    6    HB   THR   2           HB       THR   2   3.411  -4.449  -3.364
    7    HG1  THR   2          1HG       THR   2   5.771  -4.515  -4.958
    8   HG21  THR   2          1HG2      THR   2   2.657  -3.093  -4.961
    9   HG22  THR   2          2HG2      THR   2   4.165  -3.279  -5.856
   10   HG23  THR   2          3HG2      THR   2   4.006  -2.000  -4.653
   11    H    ALA   3           H        ALA   3   6.072  -1.018  -1.948
   12    HA   ALA   3           HA       ALA   3   8.253  -1.026  -3.872
   13    HB1  ALA   3          1HB       ALA   3   7.082   0.260  -5.294
   14    HB2  ALA   3          2HB       ALA   3   5.926   0.757  -4.059
   15    HB3  ALA   3          3HB       ALA   3   7.494   1.555  -4.171
   16    H    SER   4           H        SER   4  10.049   0.048  -3.164
   17    HA   SER   4           HA       SER   4  10.369   0.504  -0.429
   18    HB3  SER   4          2HB       SER   4  12.474   1.819  -1.282
   19    HG   SER   4           HG       SER   4  13.414  -0.255  -1.866
   20    H    ILE   5           H        ILE   5  11.055   2.565   0.595
   21    HA   ILE   5           HA       ILE   5   9.069   4.470   0.577
   22    HB   ILE   5           HB       ILE   5  10.727   4.265   2.378
   23   HG13  ILE   5          2HG1      ILE   5  10.020   6.832   1.093
   24   HG21  ILE   5          1HG2      ILE   5  12.954   4.901   2.195
   25   HG22  ILE   5          2HG2      ILE   5  12.650   4.060   0.675
   26   HG23  ILE   5          3HG2      ILE   5  12.673   5.822   0.718
   27   HD11  ILE   5          1HD1      ILE   5   9.349   5.367   3.494
   28   HD12  ILE   5          2HD1      ILE   5   9.716   7.060   3.824
   29   HD13  ILE   5          3HD1      ILE   5   8.462   6.643   2.658
   30    HA   PRO   6           HA       PRO   6   8.188   6.307   0.570
   31    HB3  PRO   6          2HB       PRO   6   7.490   8.246  -0.447
   32    HG3  PRO   6          2HG       PRO   6   7.893   8.628  -2.705
   33    HD3  PRO   6          2HD       PRO   6  10.010   8.020  -2.021
   34    HA   PRO   7           HA       PRO   7   6.416   2.327  -0.248
   35    HB3  PRO   7          2HB       PRO   7   6.258   2.107   2.034
   36    HG3  PRO   7          2HG       PRO   7   5.871   3.954   3.393
   37    HD3  PRO   7          2HD       PRO   7   7.620   4.756   2.124
   38    H    ILE   8           H        ILE   8   5.146   1.990  -1.957
   39    HA   ILE   8           HA       ILE   8   2.779   3.668  -2.353
   40    HB   ILE   8           HB       ILE   8   3.790   1.633  -4.318
   41   HG13  ILE   8          2HG1      ILE   8   5.050   3.551  -5.373
   42   HG21  ILE   8          1HG2      ILE   8   2.863   3.580  -5.825
   43   HG22  ILE   8          2HG2      ILE   8   1.781   2.392  -5.103
   44   HG23  ILE   8          3HG2      ILE   8   1.965   3.981  -4.362
   45   HD11  ILE   8          1HD1      ILE   8   5.694   5.434  -4.111
   46   HD12  ILE   8          2HD1      ILE   8   3.935   5.346  -4.011
   47   HD13  ILE   8          3HD1      ILE   8   4.924   4.813  -2.653
   48    H    CYS   9           H        CYS   9   0.961   2.921  -1.487
   49    HA   CYS   9           HA       CYS   9   0.541   0.029  -1.282
   50    HB3  CYS   9          2HB       CYS   9  -1.489   0.835   0.110
   51    H    HIS  10           H        HIS  10  -0.950  -1.032  -2.443
   52    HA   HIS  10           HA       HIS  10  -2.704   0.567  -4.191
   53    HB3  HIS  10          2HB       HIS  10  -1.052  -0.639  -5.493
   54    HD1  HIS  10          1HD       HIS  10  -2.908  -3.796  -5.233
   55    HD2  HIS  10          2HD       HIS  10   0.673  -2.235  -3.816
   56    HE1  HIS  10          1HE       HIS  10  -1.577  -5.777  -4.441
   57    H    DPN  11           H        DPN  11  -3.373  -0.205  -1.519
   58    HA   DPN  11           HA       DPN  11  -4.961  -2.526  -1.414
   59    HB2  DPN  11          2HB       DPN  11  -7.157  -1.735  -1.757
   60    HB3  DPN  11          3HB       DPN  11  -6.234  -1.086  -3.108
   61    HD1  DPN  11          1HD       DPN  11  -5.047   1.287  -2.372
   62    HD2  DPN  11          2HD       DPN  11  -8.721  -0.300  -0.920
   63    HE1  DPN  11          1HE       DPN  11  -5.794   3.557  -1.792
   64    HE2  DPN  11          2HE       DPN  11  -9.474   1.969  -0.338
   65    HZ   DPN  11           HZ       DPN  11  -8.011   3.902  -0.775
   66    HA   MMO  12           HA       NAR  12  -5.174  -0.809   2.610
   67   HCB1  MMO  12          2HB       NAR  12  -7.832  -2.178   2.281
   68   HCB2  MMO  12          3HB       NAR  12  -7.309  -1.573   3.849
   69   HCG1  MMO  12          2HG       NAR  12  -6.888   0.633   2.457
   70   HCG2  MMO  12          3HG       NAR  12  -8.111  -0.090   1.408
   71   HCD1  MMO  12          2HD       NAR  12  -8.490   0.202   4.376
   72   HCD2  MMO  12          3HD       NAR  12  -8.942   1.468   3.236
   73   HH21  MMO  12          1HH1      NAR  12 -10.409   1.583   4.770
   74   HH22  MMO  12          2HH1      NAR  12 -12.109   1.339   4.998
   75   HH11  MMO  12          1HH2      NAR  12 -12.311  -1.353   2.774
   76    HC1  MMO  12          2HN       NAR  12  -6.858  -3.038  -0.375
   77    HC2  MMO  12          3HN       NAR  12  -6.618  -3.798   1.217
   78    HC3  MMO  12           H        NAR  12  -5.298  -3.801   0.022
   79    HE   MMO  12           HE       NAR  12 -10.073  -1.020   2.483
   80   HH12  MMO  12          2HH2      NAR  12 -13.189  -0.333   3.862
   81    HA   E9M  13           HA       NTR  13  -3.537  -1.400   1.958
   82    HD1  E9M  13          1HD       NTR  13  -3.737  -2.234   6.119
   83    HB3  E9M  13          3HB       NTR  13  -2.555   0.181   3.335
   84    HB2  E9M  13          2HB       NTR  13  -1.889  -1.030   4.428
   85    HE3  E9M  13          3HE       NTR  13  -4.345   1.847   3.099
   86    HE1  E9M  13          1HE       NTR  13  -5.811  -1.200   7.240
   87    HZ3  E9M  13          3HZ       NTR  13  -6.208   3.389   3.560
   88    HZ2  E9M  13          2HZ       NTR  13  -7.483   1.046   6.891
   89    HH2  E9M  13          2HH       NTR  13  -7.743   2.995   5.417
   90    HN3  E9M  13          3HN       NTR  13  -4.022  -4.477   4.715
   91    HN1  E9M  13           H        NTR  13  -2.488  -3.577   4.777
   92    HN2  E9M  13          2HN       NTR  13  -2.811  -4.696   3.431
   93    H    ARG  14           H        ARG  14  -2.627  -3.329   0.784
   94    HA   ARG  14           HA       ARG  14  -0.001  -4.235   1.453
   95    HB3  ARG  14          2HB       ARG  14  -0.157  -5.037  -1.048
   96    HG3  ARG  14          2HG       ARG  14  -1.858  -6.075   1.196
   97    HD3  ARG  14          2HD       ARG  14  -1.878  -8.192  -0.235
   98    HE   ARG  14           HE       ARG  14  -3.757  -6.206  -0.122
   99   HH11  ARG  14          1HH1      ARG  14  -2.732  -8.522  -2.510
  100   HH12  ARG  14          2HH1      ARG  14  -4.294  -8.646  -3.251
  101   HH21  ARG  14          1HH2      ARG  14  -5.817  -6.360  -1.087
  102   HH22  ARG  14          2HH2      ARG  14  -6.048  -7.415  -2.440
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   1.232  -3.776   1.378
    2    HA   CYS   1           HA       CYS   1   1.502  -1.471  -0.412
    3    HB3  CYS   1          2HB       CYS   1   3.538  -1.035   1.138
    4    H    THR   2           H        THR   2   3.722  -1.038  -1.266
    5    HA   THR   2           HA       THR   2   5.529  -3.232  -1.600
    6    HB   THR   2           HB       THR   2   3.708  -3.841  -3.204
    7    HG1  THR   2          1HG       THR   2   6.061  -4.283  -3.505
    8   HG21  THR   2          1HG2      THR   2   3.075  -2.517  -4.964
    9   HG22  THR   2          2HG2      THR   2   4.620  -1.668  -5.023
   10   HG23  THR   2          3HG2      THR   2   3.442  -1.271  -3.772
   11    H    ALA   3           H        ALA   3   7.171  -2.626  -3.440
   12    HA   ALA   3           HA       ALA   3   8.776  -1.198  -4.191
   13    HB1  ALA   3          1HB       ALA   3   7.406   1.322  -3.935
   14    HB2  ALA   3          2HB       ALA   3   7.923   0.467  -5.389
   15    HB3  ALA   3          3HB       ALA   3   6.356   0.107  -4.664
   16    H    SER   4           H        SER   4  10.289   0.436  -3.482
   17    HA   SER   4           HA       SER   4  10.419   0.564  -0.590
   18    HB3  SER   4          2HB       SER   4  12.416  -0.038  -1.939
   19    HG   SER   4           HG       SER   4  13.399   1.504  -3.194
   20    H    ILE   5           H        ILE   5  11.468   2.748   0.230
   21    HA   ILE   5           HA       ILE   5   9.510   4.679   0.288
   22    HB   ILE   5           HB       ILE   5  11.341   4.620   1.902
   23   HG13  ILE   5          2HG1      ILE   5  10.636   7.085   0.409
   24   HG21  ILE   5          1HG2      ILE   5  12.987   4.372  -0.253
   25   HG22  ILE   5          2HG2      ILE   5  13.261   6.049   0.213
   26   HG23  ILE   5          3HG2      ILE   5  13.520   4.756   1.383
   27   HD11  ILE   5          1HD1      ILE   5   9.884   5.855   2.842
   28   HD12  ILE   5          2HD1      ILE   5  10.618   7.413   3.220
   29   HD13  ILE   5          3HD1      ILE   5   9.251   7.327   2.108
   30    HA   PRO   6           HA       PRO   6   8.727   6.589   0.284
   31    HB3  PRO   6          2HB       PRO   6   7.968   8.481  -0.776
   32    HG3  PRO   6          2HG       PRO   6   8.048   8.672  -3.092
   33    HD3  PRO   6          2HD       PRO   6  10.215   8.007  -2.674
   34    HA   PRO   7           HA       PRO   7   6.605   2.715   0.125
   35    HB3  PRO   7          2HB       PRO   7   6.580   2.814   2.420
   36    HG3  PRO   7          2HG       PRO   7   6.378   4.845   3.532
   37    HD3  PRO   7          2HD       PRO   7   8.085   5.359   2.070
   38    H    ILE   8           H        ILE   8   5.207   2.222  -1.438
   39    HA   ILE   8           HA       ILE   8   2.815   3.905  -1.784
   40    HB   ILE   8           HB       ILE   8   4.165   3.880  -3.777
   41   HG13  ILE   8          2HG1      ILE   8   2.446   3.538  -5.241
   42   HG21  ILE   8          1HG2      ILE   8   5.489   1.936  -3.512
   43   HG22  ILE   8          2HG2      ILE   8   4.071   0.888  -3.480
   44   HG23  ILE   8          3HG2      ILE   8   4.540   1.690  -4.979
   45   HD11  ILE   8          1HD1      ILE   8   2.083   0.875  -3.936
   46   HD12  ILE   8          2HD1      ILE   8   0.822   1.567  -4.958
   47   HD13  ILE   8          3HD1      ILE   8   2.425   1.257  -5.624
   48    H    CYS   9           H        CYS   9   0.794   2.992  -1.874
   49    HA   CYS   9           HA       CYS   9   0.633   0.112  -1.268
   50    HB3  CYS   9          2HB       CYS   9  -1.472   0.715   0.018
   51    H    HIS  10           H        HIS  10  -1.040  -1.056  -2.201
   52    HA   HIS  10           HA       HIS  10  -2.615   0.367  -4.244
   53    HB3  HIS  10          2HB       HIS  10  -0.879  -0.876  -5.378
   54    HD1  HIS  10          1HD       HIS  10  -2.865  -3.842  -4.089
   55    HD2  HIS  10          2HD       HIS  10   1.058  -2.506  -4.381
   56    HE1  HIS  10          1HE       HIS  10  -1.441  -5.762  -3.309
   57    H    DPN  11           H        DPN  11  -3.399  -0.269  -1.552
   58    HA   DPN  11           HA       DPN  11  -4.961  -2.607  -1.406
   59    HB2  DPN  11          2HB       DPN  11  -7.133  -1.893  -1.922
   60    HB3  DPN  11          3HB       DPN  11  -6.156  -1.223  -3.225
   61    HD1  DPN  11          1HD       DPN  11  -5.073   1.190  -2.376
   62    HD2  DPN  11          2HD       DPN  11  -8.817  -0.501  -1.261
   63    HE1  DPN  11          1HE       DPN  11  -5.933   3.437  -1.862
   64    HE2  DPN  11          2HE       DPN  11  -9.681   1.743  -0.745
   65    HZ   DPN  11           HZ       DPN  11  -8.238   3.716  -1.045
   66    HA   MMO  12           HA       NAR  12  -5.288  -0.788   2.548
   67   HCB1  MMO  12          2HB       NAR  12  -8.073  -1.737   1.976
   68   HCB2  MMO  12          3HB       NAR  12  -7.625  -1.281   3.616
   69   HCG1  MMO  12          2HG       NAR  12  -6.732   0.881   2.393
   70   HCG2  MMO  12          3HG       NAR  12  -7.934   0.402   1.192
   71   HCD1  MMO  12          2HD       NAR  12  -8.438   0.869   4.130
   72   HCD2  MMO  12          3HD       NAR  12  -8.882   1.956   2.815
   73   HH21  MMO  12          1HH1      NAR  12 -10.269   2.047   4.630
   74   HH22  MMO  12          2HH1      NAR  12 -11.940   1.754   4.982
   75   HH11  MMO  12          1HH2      NAR  12 -12.237  -0.923   2.755
   76    HC1  MMO  12          2HN       NAR  12  -6.780  -3.747   1.191
   77    HC2  MMO  12          3HN       NAR  12  -5.412  -3.806   0.054
   78    HC3  MMO  12           H        NAR  12  -6.947  -3.054  -0.440
   79    HE   MMO  12           HE       NAR  12 -10.037  -0.528   2.299
   80   HH12  MMO  12          2HH2      NAR  12 -13.059   0.064   3.915
   81    HA   E9M  13           HA       NTR  13  -3.730  -1.678   1.962
   82    HD1  E9M  13          1HD       NTR  13  -4.147  -2.272   6.158
   83    HB3  E9M  13          3HB       NTR  13  -2.475  -0.263   3.308
   84    HB2  E9M  13          2HB       NTR  13  -2.086  -1.536   4.463
   85    HE3  E9M  13          3HE       NTR  13  -3.940   1.682   2.923
   86    HE1  E9M  13          1HE       NTR  13  -6.019  -0.822   7.165
   87    HZ3  E9M  13          3HZ       NTR  13  -5.497   3.558   3.252
   88    HZ2  E9M  13          2HZ       NTR  13  -7.246   1.669   6.656
   89    HH2  E9M  13          2HH       NTR  13  -7.115   3.550   5.080
   90    HN3  E9M  13          3HN       NTR  13  -2.925  -4.028   4.584
   91    HN1  E9M  13           H        NTR  13  -4.011  -5.086   3.653
   92    HN2  E9M  13          2HN       NTR  13  -4.617  -4.238   5.095
   93    H    ARG  14           H        ARG  14  -3.002  -3.411   0.632
   94    HA   ARG  14           HA       ARG  14  -0.645  -4.890   1.444
   95    HB3  ARG  14          2HB       ARG  14  -0.898  -5.675  -1.057
   96    HG3  ARG  14          2HG       ARG  14  -2.838  -7.188  -0.376
   97    HD3  ARG  14          2HD       ARG  14  -1.377  -8.255   1.477
   98    HE   ARG  14           HE       ARG  14  -1.129  -8.405  -1.240
   99   HH11  ARG  14          1HH1      ARG  14   1.067  -8.559   1.458
  100   HH12  ARG  14          2HH1      ARG  14   2.184  -9.613   0.657
  101   HH21  ARG  14          1HH2      ARG  14   0.333  -9.794  -2.306
  102   HH22  ARG  14          2HH2      ARG  14   1.767 -10.315  -1.485
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   0.972  -2.126   1.486
    2    HA   CYS   1           HA       CYS   1   2.283  -0.897  -0.660
    3    HB3  CYS   1          2HB       CYS   1   4.242  -0.776   0.947
    4    H    THR   2           H        THR   2   3.841  -1.527  -2.050
    5    HA   THR   2           HA       THR   2   5.191  -4.084  -1.652
    6    HB   THR   2           HB       THR   2   3.142  -4.570  -2.991
    7    HG1  THR   2          1HG       THR   2   5.574  -4.852  -4.454
    8   HG21  THR   2          1HG2      THR   2   3.936  -2.225  -4.370
    9   HG22  THR   2          2HG2      THR   2   2.526  -3.242  -4.669
   10   HG23  THR   2          3HG2      THR   2   4.044  -3.568  -5.506
   11    H    ALA   3           H        ALA   3   6.008  -1.276  -1.610
   12    HA   ALA   3           HA       ALA   3   8.258  -1.516  -3.418
   13    HB1  ALA   3          1HB       ALA   3   6.220  -0.264  -4.529
   14    HB2  ALA   3          2HB       ALA   3   6.841   1.093  -3.589
   15    HB3  ALA   3          3HB       ALA   3   7.878   0.288  -4.767
   16    H    SER   4           H        SER   4  10.000  -0.114  -2.889
   17    HA   SER   4           HA       SER   4  10.290   0.383  -0.130
   18    HB3  SER   4          2HB       SER   4  12.288  -0.060  -1.292
   19    HG   SER   4           HG       SER   4  11.939   0.376  -3.375
   20    H    ILE   5           H        ILE   5  11.316   2.696   0.452
   21    HA   ILE   5           HA       ILE   5   9.123   4.492   0.450
   22    HB   ILE   5           HB       ILE   5  11.944   5.271   1.139
   23   HG13  ILE   5          2HG1      ILE   5  11.445   4.452   3.445
   24   HG21  ILE   5          1HG2      ILE   5   9.330   6.087   2.393
   25   HG22  ILE   5          2HG2      ILE   5  10.918   6.806   2.650
   26   HG23  ILE   5          3HG2      ILE   5  10.116   6.979   1.090
   27   HD11  ILE   5          1HD1      ILE   5   9.044   4.287   3.400
   28   HD12  ILE   5          2HD1      ILE   5   9.120   3.084   2.112
   29   HD13  ILE   5          3HD1      ILE   5   9.745   2.700   3.716
   30    HA   PRO   6           HA       PRO   6   8.327   6.414   0.417
   31    HB3  PRO   6          2HB       PRO   6   7.692   8.334  -0.671
   32    HG3  PRO   6          2HG       PRO   6   8.074   8.606  -2.948
   33    HD3  PRO   6          2HD       PRO   6  10.176   7.943  -2.269
   34    HA   PRO   7           HA       PRO   7   6.398   2.470  -0.217
   35    HB3  PRO   7          2HB       PRO   7   6.295   2.334   2.074
   36    HG3  PRO   7          2HG       PRO   7   6.014   4.239   3.378
   37    HD3  PRO   7          2HD       PRO   7   7.756   4.929   2.037
   38    H    ILE   8           H        ILE   8   4.919   1.925  -1.684
   39    HA   ILE   8           HA       ILE   8   2.579   3.684  -2.040
   40    HB   ILE   8           HB       ILE   8   2.489   2.754  -4.374
   41   HG13  ILE   8          2HG1      ILE   8   4.483   1.041  -3.364
   42   HG21  ILE   8          1HG2      ILE   8   3.484   4.973  -3.710
   43   HG22  ILE   8          2HG2      ILE   8   5.064   4.198  -3.794
   44   HG23  ILE   8          3HG2      ILE   8   4.059   4.308  -5.238
   45   HD11  ILE   8          1HD1      ILE   8   4.372   1.030  -6.248
   46   HD12  ILE   8          2HD1      ILE   8   3.873  -0.204  -5.090
   47   HD13  ILE   8          3HD1      ILE   8   2.763   1.094  -5.530
   48    H    CYS   9           H        CYS   9   0.823   2.796  -1.185
   49    HA   CYS   9           HA       CYS   9   0.543  -0.115  -1.134
   50    HB3  CYS   9          2HB       CYS   9  -1.451   0.427   0.346
   51    H    HIS  10           H        HIS  10  -0.665  -1.138  -2.576
   52    HA   HIS  10           HA       HIS  10  -2.469   0.419  -4.274
   53    HB3  HIS  10          2HB       HIS  10  -0.792  -1.001  -5.385
   54    HD1  HIS  10          1HD       HIS  10   0.710  -2.679  -4.236
   55    HD2  HIS  10          2HD       HIS  10  -3.229  -3.966  -4.539
   56    HE1  HIS  10          1HE       HIS  10   0.739  -5.099  -3.553
   57    H    DPN  11           H        DPN  11  -3.120  -0.365  -1.503
   58    HA   DPN  11           HA       DPN  11  -4.891  -2.515  -1.380
   59    HB2  DPN  11          2HB       DPN  11  -7.038  -1.017  -1.367
   60    HB3  DPN  11          3HB       DPN  11  -6.397  -1.611  -2.897
   61    HD1  DPN  11          1HD       DPN  11  -6.285  -0.108  -4.616
   62    HD2  DPN  11          2HD       DPN  11  -5.928   1.311  -0.619
   63    HE1  DPN  11          1HE       DPN  11  -6.140   2.203  -5.453
   64    HE2  DPN  11          2HE       DPN  11  -5.781   3.623  -1.449
   65    HZ   DPN  11           HZ       DPN  11  -5.886   4.071  -3.869
   66    HA   MMO  12           HA       NAR  12  -5.054  -0.697   2.602
   67   HCB1  MMO  12          2HB       NAR  12  -7.864  -1.456   2.017
   68   HCB2  MMO  12          3HB       NAR  12  -7.416  -1.321   3.712
   69   HCG1  MMO  12          2HG       NAR  12  -6.895   0.950   3.514
   70   HCG2  MMO  12          3HG       NAR  12  -6.824   0.867   1.752
   71   HCD1  MMO  12          2HD       NAR  12  -8.884   1.955   2.789
   72   HCD2  MMO  12          3HD       NAR  12  -9.155   0.725   1.553
   73   HH21  MMO  12          1HH1      NAR  12  -8.521   2.054   4.687
   74   HH22  MMO  12          2HH1      NAR  12  -9.194   1.723   6.250
   75   HH11  MMO  12          1HH2      NAR  12 -10.997  -1.081   5.197
   76    HC1  MMO  12          2HN       NAR  12  -5.545  -3.680   0.040
   77    HC2  MMO  12          3HN       NAR  12  -6.981  -2.716  -0.379
   78    HC3  MMO  12           H        NAR  12  -6.861  -3.483   1.222
   79    HE   MMO  12           HE       NAR  12 -10.105  -0.635   3.146
   80   HH12  MMO  12          2HH2      NAR  12 -10.600  -0.061   6.539
   81    HA   E9M  13           HA       NTR  13  -3.534  -1.543   2.011
   82    HD1  E9M  13          1HD       NTR  13  -4.134  -2.105   6.105
   83    HB3  E9M  13          3HB       NTR  13  -2.110  -0.254   3.377
   84    HB2  E9M  13          2HB       NTR  13  -1.908  -1.558   4.543
   85    HE3  E9M  13          3HE       NTR  13  -3.341   1.832   2.942
   86    HE1  E9M  13          1HE       NTR  13  -5.908  -0.482   7.021
   87    HZ3  E9M  13          3HZ       NTR  13  -4.720   3.852   3.204
   88    HZ2  E9M  13          2HZ       NTR  13  -6.848   2.123   6.475
   89    HH2  E9M  13          2HH       NTR  13  -6.438   3.993   4.935
   90    HN3  E9M  13          3HN       NTR  13  -3.240  -3.762   5.134
   91    HN1  E9M  13           H        NTR  13  -3.000  -4.709   3.646
   92    HN2  E9M  13          2HN       NTR  13  -4.585  -4.707   4.453
   93    H    ARG  14           H        ARG  14  -2.436  -2.510   0.427
   94    HA   ARG  14           HA       ARG  14  -0.215  -4.302   1.147
   95    HB3  ARG  14          2HB       ARG  14  -0.438  -5.197  -1.152
   96    HG3  ARG  14          2HG       ARG  14  -3.130  -5.229   0.184
   97    HD3  ARG  14          2HD       ARG  14  -3.017  -6.312  -2.002
   98    HE   ARG  14           HE       ARG  14  -0.495  -7.218  -1.242
   99   HH11  ARG  14          1HH1      ARG  14  -3.397  -8.465  -2.705
  100   HH12  ARG  14          2HH1      ARG  14  -2.568  -9.676  -3.627
  101   HH21  ARG  14          1HH2      ARG  14   0.608  -8.807  -2.451
  102   HH22  ARG  14          2HH2      ARG  14  -0.290  -9.869  -3.480
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   1.208  -3.711   1.589
    2    HA   CYS   1           HA       CYS   1   1.639  -1.408  -0.197
    3    HB3  CYS   1          2HB       CYS   1   2.402  -0.157   1.851
    4    H    THR   2           H        THR   2   3.846  -0.554  -0.165
    5    HA   THR   2           HA       THR   2   5.763  -2.710  -0.239
    6    HB   THR   2           HB       THR   2   5.590  -0.739  -1.901
    7    HG1  THR   2          1HG       THR   2   7.301  -2.204  -2.006
    8   HG21  THR   2          1HG2      THR   2   6.312   1.319  -1.327
    9   HG22  THR   2          2HG2      THR   2   7.595   0.689  -0.290
   10   HG23  THR   2          3HG2      THR   2   5.940   0.793   0.313
   11    H    ALA   3           H        ALA   3   8.122  -1.746   0.492
   12    HA   ALA   3           HA       ALA   3   7.828  -0.876   3.289
   13    HB1  ALA   3          1HB       ALA   3   8.526  -3.423   2.567
   14    HB2  ALA   3          2HB       ALA   3  10.094  -2.654   2.815
   15    HB3  ALA   3          3HB       ALA   3   8.898  -2.657   4.112
   16    H    SER   4           H        SER   4   9.123  -0.242   0.311
   17    HA   SER   4           HA       SER   4  11.567   0.996   1.333
   18    HB3  SER   4          2HB       SER   4  11.939  -0.236  -0.672
   19    HG   SER   4           HG       SER   4   9.722   1.188  -1.728
   20    H    ILE   5           H        ILE   5  12.029   3.169   0.011
   21    HA   ILE   5           HA       ILE   5   9.659   4.885   0.368
   22    HB   ILE   5           HB       ILE   5  12.538   5.633   0.891
   23   HG13  ILE   5          2HG1      ILE   5  11.850   5.762   3.253
   24   HG21  ILE   5          1HG2      ILE   5  11.725   7.753   1.623
   25   HG22  ILE   5          2HG2      ILE   5  11.058   7.449   0.019
   26   HG23  ILE   5          3HG2      ILE   5  10.050   7.233   1.449
   27   HD11  ILE   5          1HD1      ILE   5   9.230   5.589   2.243
   28   HD12  ILE   5          2HD1      ILE   5   9.526   4.123   3.179
   29   HD13  ILE   5          3HD1      ILE   5   9.749   5.705   3.925
   30    HA   PRO   6           HA       PRO   6   8.877   6.781  -0.083
   31    HB3  PRO   6          2HB       PRO   6   8.202   8.391  -1.577
   32    HG3  PRO   6          2HG       PRO   6   8.480   8.092  -3.867
   33    HD3  PRO   6          2HD       PRO   6  10.606   7.581  -3.139
   34    HA   PRO   7           HA       PRO   7   6.533   3.098   0.467
   35    HB3  PRO   7          2HB       PRO   7   5.784   4.005   2.440
   36    HG3  PRO   7          2HG       PRO   7   5.315   6.276   2.616
   37    HD3  PRO   7          2HD       PRO   7   7.417   6.376   1.671
   38    H    ILE   8           H        ILE   8   4.514   1.997  -0.115
   39    HA   ILE   8           HA       ILE   8   2.992   3.257  -2.275
   40    HB   ILE   8           HB       ILE   8   4.847   1.013  -2.587
   41   HG13  ILE   8          2HG1      ILE   8   4.241   3.368  -3.892
   42   HG21  ILE   8          1HG2      ILE   8   2.894  -0.351  -2.527
   43   HG22  ILE   8          2HG2      ILE   8   2.011   0.767  -3.565
   44   HG23  ILE   8          3HG2      ILE   8   3.357  -0.167  -4.218
   45   HD11  ILE   8          1HD1      ILE   8   6.122   2.984  -5.020
   46   HD12  ILE   8          2HD1      ILE   8   6.248   1.532  -4.025
   47   HD13  ILE   8          3HD1      ILE   8   5.547   1.438  -5.641
   48    H    CYS   9           H        CYS   9   0.886   2.602  -2.427
   49    HA   CYS   9           HA       CYS   9  -0.014   0.325  -0.837
   50    HB3  CYS   9          2HB       CYS   9  -1.938   1.885  -0.021
   51    H    HIS  10           H        HIS  10  -0.995  -0.867  -2.334
   52    HA   HIS  10           HA       HIS  10  -2.761   0.481  -4.268
   53    HB3  HIS  10          2HB       HIS  10  -0.871  -0.739  -5.284
   54    HD1  HIS  10          1HD       HIS  10   0.736  -2.215  -3.983
   55    HD2  HIS  10          2HD       HIS  10  -2.979  -3.973  -4.590
   56    HE1  HIS  10          1HE       HIS  10   1.010  -4.617  -3.295
   57    H    DPN  11           H        DPN  11  -3.503  -0.235  -1.557
   58    HA   DPN  11           HA       DPN  11  -4.985  -2.626  -1.465
   59    HB2  DPN  11          2HB       DPN  11  -7.207  -1.925  -1.891
   60    HB3  DPN  11          3HB       DPN  11  -6.258  -1.310  -3.240
   61    HD1  DPN  11          1HD       DPN  11  -5.206   1.132  -2.660
   62    HD2  DPN  11          2HD       DPN  11  -8.805  -0.507  -1.088
   63    HE1  DPN  11          1HE       DPN  11  -6.040   3.403  -2.212
   64    HE2  DPN  11          2HE       DPN  11  -9.645   1.761  -0.638
   65    HZ   DPN  11           HZ       DPN  11  -8.262   3.719  -1.199
   66    HA   MMO  12           HA       NAR  12  -5.344  -0.919   2.536
   67   HCB1  MMO  12          2HB       NAR  12  -8.080  -1.999   1.970
   68   HCB2  MMO  12          3HB       NAR  12  -7.638  -1.570   3.617
   69   HCG1  MMO  12          2HG       NAR  12  -6.873   0.670   2.437
   70   HCG2  MMO  12          3HG       NAR  12  -8.078   0.162   1.253
   71   HCD1  MMO  12          2HD       NAR  12  -8.705   0.204   4.184
   72   HCD2  MMO  12          3HD       NAR  12  -8.820   1.670   3.209
   73   HH21  MMO  12          1HH1      NAR  12 -10.395   1.432   4.890
   74   HH22  MMO  12          2HH1      NAR  12 -12.119   1.323   5.017
   75   HH11  MMO  12          1HH2      NAR  12 -12.511  -0.470   2.040
   76    HC1  MMO  12          2HN       NAR  12  -6.710  -3.914   1.118
   77    HC2  MMO  12          3HN       NAR  12  -5.346  -3.883  -0.026
   78    HC3  MMO  12           H        NAR  12  -6.916  -3.190  -0.494
   79    HE   MMO  12           HE       NAR  12 -10.241  -0.319   1.886
   80   HH12  MMO  12          2HH2      NAR  12 -13.323   0.242   3.395
   81    HA   E9M  13           HA       NTR  13  -3.747  -1.702   1.921
   82    HD1  E9M  13          1HD       NTR  13  -4.115  -2.404   6.100
   83    HB3  E9M  13          3HB       NTR  13  -2.544  -0.262   3.292
   84    HB2  E9M  13          2HB       NTR  13  -2.097  -1.542   4.417
   85    HE3  E9M  13          3HE       NTR  13  -4.104   1.616   2.941
   86    HE1  E9M  13          1HE       NTR  13  -6.053  -1.065   7.135
   87    HZ3  E9M  13          3HZ       NTR  13  -5.751   3.408   3.307
   88    HZ2  E9M  13          2HZ       NTR  13  -7.401   1.373   6.676
   89    HH2  E9M  13          2HH       NTR  13  -7.363   3.287   5.135
   90    HN3  E9M  13          3HN       NTR  13  -3.088  -4.845   3.549
   91    HN1  E9M  13           H        NTR  13  -4.652  -4.887   4.398
   92    HN2  E9M  13          2HN       NTR  13  -3.321  -3.893   5.034
   93    H    ARG  14           H        ARG  14  -3.010  -3.529   0.624
   94    HA   ARG  14           HA       ARG  14  -0.637  -4.946   1.319
   95    HB3  ARG  14          2HB       ARG  14  -0.824  -5.181  -1.405
   96    HG3  ARG  14          2HG       ARG  14  -0.848  -7.016   0.301
   97    HD3  ARG  14          2HD       ARG  14  -3.506  -7.683   0.422
   98    HE   ARG  14           HE       ARG  14  -1.568  -6.858   2.344
   99   HH11  ARG  14          1HH1      ARG  14  -4.948  -7.556   1.892
  100   HH12  ARG  14          2HH1      ARG  14  -5.216  -7.979   3.551
  101   HH21  ARG  14          1HH2      ARG  14  -1.907  -7.412   4.530
  102   HH22  ARG  14          2HH2      ARG  14  -3.486  -7.897   5.051
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   0.454  -1.567   1.055
    2    HA   CYS   1           HA       CYS   1   2.337  -0.594  -0.490
    3    HB3  CYS   1          2HB       CYS   1   4.025  -0.979   1.461
    4    H    THR   2           H        THR   2   3.967  -1.196  -1.778
    5    HA   THR   2           HA       THR   2   5.479  -3.587  -1.390
    6    HB   THR   2           HB       THR   2   3.391  -4.526  -2.382
    7    HG1  THR   2          1HG       THR   2   5.031  -5.826  -2.872
    8   HG21  THR   2          1HG2      THR   2   3.666  -2.320  -4.136
    9   HG22  THR   2          2HG2      THR   2   2.407  -3.555  -4.129
   10   HG23  THR   2          3HG2      THR   2   3.861  -3.783  -5.100
   11    H    ALA   3           H        ALA   3   5.863  -0.717  -1.816
   12    HA   ALA   3           HA       ALA   3   7.739  -0.909  -4.062
   13    HB1  ALA   3          1HB       ALA   3   6.255   0.324  -5.242
   14    HB2  ALA   3          2HB       ALA   3   5.480   0.976  -3.798
   15    HB3  ALA   3          3HB       ALA   3   7.010   1.650  -4.358
   16    H    SER   4           H        SER   4   9.664   0.113  -3.754
   17    HA   SER   4           HA       SER   4  10.623   0.587  -1.218
   18    HB3  SER   4          2HB       SER   4  12.312   0.341  -2.778
   19    HG   SER   4           HG       SER   4  10.808   2.112  -4.384
   20    H    ILE   5           H        ILE   5  11.246   2.530  -0.113
   21    HA   ILE   5           HA       ILE   5   9.238   4.363   0.290
   22    HB   ILE   5           HB       ILE   5  12.172   4.960   0.662
   23   HG13  ILE   5          2HG1      ILE   5  11.827   4.058   2.964
   24   HG21  ILE   5          1HG2      ILE   5  11.433   6.449   2.419
   25   HG22  ILE   5          2HG2      ILE   5  10.639   6.874   0.903
   26   HG23  ILE   5          3HG2      ILE   5   9.755   5.984   2.143
   27   HD11  ILE   5          1HD1      ILE   5   9.409   4.163   3.129
   28   HD12  ILE   5          2HD1      ILE   5   9.259   2.972   1.835
   29   HD13  ILE   5          3HD1      ILE   5   9.988   2.515   3.374
   30    HA   PRO   6           HA       PRO   6   8.376   6.203   0.603
   31    HB3  PRO   6          2HB       PRO   6   7.537   8.217  -0.117
   32    HG3  PRO   6          2HG       PRO   6   7.598   8.808  -2.365
   33    HD3  PRO   6          2HD       PRO   6   9.793   8.167  -2.062
   34    HA   PRO   7           HA       PRO   7   6.395   2.339  -0.216
   35    HB3  PRO   7          2HB       PRO   7   6.344   2.060   2.063
   36    HG3  PRO   7          2HG       PRO   7   6.051   3.874   3.488
   37    HD3  PRO   7          2HD       PRO   7   7.750   4.683   2.158
   38    H    ILE   8           H        ILE   8   5.007   2.013  -1.829
   39    HA   ILE   8           HA       ILE   8   2.641   3.737  -2.050
   40    HB   ILE   8           HB       ILE   8   3.562   1.827  -4.178
   41   HG13  ILE   8          2HG1      ILE   8   4.793   3.780  -5.176
   42   HG21  ILE   8          1HG2      ILE   8   1.651   4.054  -3.941
   43   HG22  ILE   8          2HG2      ILE   8   2.587   4.004  -5.433
   44   HG23  ILE   8          3HG2      ILE   8   1.603   2.618  -4.963
   45   HD11  ILE   8          1HD1      ILE   8   4.736   4.934  -2.405
   46   HD12  ILE   8          2HD1      ILE   8   5.486   5.609  -3.852
   47   HD13  ILE   8          3HD1      ILE   8   3.728   5.525  -3.725
   48    H    CYS   9           H        CYS   9   0.873   2.923  -1.144
   49    HA   CYS   9           HA       CYS   9   0.497   0.029  -1.020
   50    HB3  CYS   9          2HB       CYS   9  -1.456   0.648   0.454
   51    H    HIS  10           H        HIS  10  -0.523  -0.908  -2.654
   52    HA   HIS  10           HA       HIS  10  -2.440   0.622  -4.242
   53    HB3  HIS  10          2HB       HIS  10  -0.652  -0.646  -5.401
   54    HD1  HIS  10          1HD       HIS  10  -2.814  -3.593  -5.588
   55    HD2  HIS  10          2HD       HIS  10   0.671  -2.503  -3.607
   56    HE1  HIS  10          1HE       HIS  10  -1.801  -5.747  -4.778
   57    H    DPN  11           H        DPN  11  -3.218  -0.124  -1.612
   58    HA   DPN  11           HA       DPN  11  -4.768  -2.465  -1.523
   59    HB2  DPN  11          2HB       DPN  11  -6.929  -1.787  -2.069
   60    HB3  DPN  11          3HB       DPN  11  -5.960  -1.003  -3.311
   61    HD1  DPN  11          1HD       DPN  11  -4.918   1.355  -2.109
   62    HD2  DPN  11          2HD       DPN  11  -8.722  -0.467  -1.529
   63    HE1  DPN  11          1HE       DPN  11  -5.861   3.535  -1.467
   64    HE2  DPN  11          2HE       DPN  11  -9.670   1.711  -0.886
   65    HZ   DPN  11           HZ       DPN  11  -8.238   3.715  -0.853
   66    HA   MMO  12           HA       NAR  12  -5.126  -0.733   2.467
   67   HCB1  MMO  12          2HB       NAR  12  -7.924  -1.675   1.904
   68   HCB2  MMO  12          3HB       NAR  12  -7.455  -1.157   3.518
   69   HCG1  MMO  12          2HG       NAR  12  -6.706   1.011   2.492
   70   HCG2  MMO  12          3HG       NAR  12  -7.470   0.474   0.995
   71   HCD1  MMO  12          2HD       NAR  12  -8.905   1.952   2.394
   72   HCD2  MMO  12          3HD       NAR  12  -9.616   0.376   2.049
   73   HH21  MMO  12          1HH1      NAR  12 -11.152   1.488   3.041
   74   HH22  MMO  12          2HH1      NAR  12 -12.057   1.461   4.516
   75   HH11  MMO  12          1HH2      NAR  12  -9.400   0.284   6.461
   76    HC1  MMO  12          2HN       NAR  12  -6.801  -2.911  -0.573
   77    HC2  MMO  12          3HN       NAR  12  -6.635  -3.646   1.038
   78    HC3  MMO  12           H        NAR  12  -5.271  -3.689  -0.104
   79    HE   MMO  12           HE       NAR  12  -8.219   0.323   4.511
   80   HH12  MMO  12          2HH2      NAR  12 -11.059   0.777   6.462
   81    HA   E9M  13           HA       NTR  13  -3.564  -1.598   1.926
   82    HD1  E9M  13          1HD       NTR  13  -4.277  -2.234   6.027
   83    HB3  E9M  13          3HB       NTR  13  -2.329  -0.225   3.354
   84    HB2  E9M  13          2HB       NTR  13  -2.055  -1.516   4.520
   85    HE3  E9M  13          3HE       NTR  13  -3.674   1.785   2.924
   86    HE1  E9M  13          1HE       NTR  13  -6.170  -0.736   6.923
   87    HZ3  E9M  13          3HZ       NTR  13  -5.184   3.711   3.181
   88    HZ2  E9M  13          2HZ       NTR  13  -7.262   1.810   6.387
   89    HH2  E9M  13          2HH       NTR  13  -6.941   3.721   4.877
   90    HN3  E9M  13          3HN       NTR  13  -4.730  -4.513   4.656
   91    HN1  E9M  13           H        NTR  13  -3.085  -3.857   4.845
   92    HN2  E9M  13          2HN       NTR  13  -3.461  -4.936   3.481
   93    H    ARG  14           H        ARG  14  -2.383  -2.632   0.441
   94    HA   ARG  14           HA       ARG  14  -0.637  -4.784   0.977
   95    HB3  ARG  14          2HB       ARG  14   0.099  -4.510  -1.351
   96    HG3  ARG  14          2HG       ARG  14  -2.395  -4.130  -2.316
   97    HD3  ARG  14          2HD       ARG  14  -0.842  -6.178  -2.302
   98    HE   ARG  14           HE       ARG  14  -1.975  -6.511   0.286
   99   HH11  ARG  14          1HH1      ARG  14  -0.950  -8.249  -2.549
  100   HH12  ARG  14          2HH1      ARG  14  -0.618  -9.716  -1.689
  101   HH21  ARG  14          1HH2      ARG  14  -1.542  -8.435   1.430
  102   HH22  ARG  14          2HH2      ARG  14  -0.956  -9.821   0.574
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   1.430  -4.062   1.104
    2    HA   CYS   1           HA       CYS   1   1.884  -1.675  -0.401
    3    HB3  CYS   1          2HB       CYS   1   2.392  -0.195   1.490
    4    H    THR   2           H        THR   2   4.020  -1.377  -0.798
    5    HA   THR   2           HA       THR   2   5.821  -3.461  -0.010
    6    HB   THR   2           HB       THR   2   5.825  -2.270  -2.256
    7    HG1  THR   2          1HG       THR   2   7.596  -3.589  -1.313
    8   HG21  THR   2          1HG2      THR   2   6.776  -0.167  -2.507
    9   HG22  THR   2          2HG2      THR   2   7.578  -0.230  -0.938
   10   HG23  THR   2          3HG2      THR   2   5.835   0.024  -1.029
   11    H    ALA   3           H        ALA   3   8.244  -2.099   0.220
   12    HA   ALA   3           HA       ALA   3   7.926  -0.721   2.807
   13    HB1  ALA   3          1HB       ALA   3  10.023  -1.702   3.528
   14    HB2  ALA   3          2HB       ALA   3   8.893  -2.968   3.047
   15    HB3  ALA   3          3HB       ALA   3  10.210  -2.504   1.968
   16    H    SER   4           H        SER   4   9.528  -0.808  -0.288
   17    HA   SER   4           HA       SER   4  11.587   0.987   0.049
   18    HB3  SER   4          2HB       SER   4  11.027   1.649  -2.402
   19    HG   SER   4           HG       SER   4  11.600  -0.979  -1.530
   20    H    ILE   5           H        ILE   5  11.768   3.258  -0.463
   21    HA   ILE   5           HA       ILE   5   9.368   4.751   0.354
   22    HB   ILE   5           HB       ILE   5  12.257   5.625   0.486
   23   HG13  ILE   5          2HG1      ILE   5  12.002   5.355   2.923
   24   HG21  ILE   5          1HG2      ILE   5  10.605   7.447   0.184
   25   HG22  ILE   5          2HG2      ILE   5   9.803   6.920   1.662
   26   HG23  ILE   5          3HG2      ILE   5  11.458   7.526   1.724
   27   HD11  ILE   5          1HD1      ILE   5   9.813   3.550   3.003
   28   HD12  ILE   5          2HD1      ILE   5  10.057   5.038   3.916
   29   HD13  ILE   5          3HD1      ILE   5   9.255   5.088   2.347
   30    HA   PRO   6           HA       PRO   6   8.389   6.585   0.299
   31    HB3  PRO   6          2HB       PRO   6   7.367   8.314  -0.817
   32    HG3  PRO   6          2HG       PRO   6   7.285   8.358  -3.141
   33    HD3  PRO   6          2HD       PRO   6   9.533   7.950  -2.831
   34    HA   PRO   7           HA       PRO   7   6.416   2.669   0.649
   35    HB3  PRO   7          2HB       PRO   7   5.917   3.238   2.819
   36    HG3  PRO   7          2HG       PRO   7   5.320   5.414   3.381
   37    HD3  PRO   7          2HD       PRO   7   7.238   5.828   2.171
   38    H    ILE   8           H        ILE   8   5.561   1.863  -1.186
   39    HA   ILE   8           HA       ILE   8   3.385   3.131  -2.565
   40    HB   ILE   8           HB       ILE   8   5.161   0.837  -3.048
   41   HG13  ILE   8          2HG1      ILE   8   4.328   3.295  -4.297
   42   HG21  ILE   8          1HG2      ILE   8   3.577  -0.114  -4.763
   43   HG22  ILE   8          2HG2      ILE   8   3.168  -0.443  -3.081
   44   HG23  ILE   8          3HG2      ILE   8   2.297   0.806  -3.971
   45   HD11  ILE   8          1HD1      ILE   8   6.491   3.347  -4.725
   46   HD12  ILE   8          2HD1      ILE   8   6.655   1.697  -4.123
   47   HD13  ILE   8          3HD1      ILE   8   6.315   1.983  -5.829
   48    H    CYS   9           H        CYS   9   1.261   2.553  -2.634
   49    HA   CYS   9           HA       CYS   9   0.382   0.208  -1.124
   50    HB3  CYS   9          2HB       CYS   9  -1.508   1.771  -0.219
   51    H    HIS  10           H        HIS  10  -1.001  -0.926  -2.302
   52    HA   HIS  10           HA       HIS  10  -2.641   0.493  -4.299
   53    HB3  HIS  10          2HB       HIS  10  -0.877  -0.852  -5.368
   54    HD1  HIS  10          1HD       HIS  10   0.727  -2.404  -4.183
   55    HD2  HIS  10          2HD       HIS  10  -3.130  -3.932  -4.420
   56    HE1  HIS  10          1HE       HIS  10   0.903  -4.794  -3.424
   57    H    DPN  11           H        DPN  11  -3.330  -0.126  -1.552
   58    HA   DPN  11           HA       DPN  11  -4.955  -2.419  -1.366
   59    HB2  DPN  11          2HB       DPN  11  -7.136  -1.600  -1.744
   60    HB3  DPN  11          3HB       DPN  11  -6.196  -1.030  -3.119
   61    HD1  DPN  11          1HD       DPN  11  -4.973   1.350  -2.501
   62    HD2  DPN  11          2HD       DPN  11  -8.665  -0.100  -0.955
   63    HE1  DPN  11          1HE       DPN  11  -5.676   3.660  -2.023
   64    HE2  DPN  11          2HE       DPN  11  -9.372   2.207  -0.474
   65    HZ   DPN  11           HZ       DPN  11  -7.878   4.090  -1.010
   66    HA   MMO  12           HA       NAR  12  -5.061  -0.633   2.616
   67   HCB1  MMO  12          2HB       NAR  12  -7.890  -1.501   2.150
   68   HCB2  MMO  12          3HB       NAR  12  -7.365  -1.091   3.777
   69   HCG1  MMO  12          2HG       NAR  12  -6.504   1.092   2.687
   70   HCG2  MMO  12          3HG       NAR  12  -7.595   0.661   1.369
   71   HCD1  MMO  12          2HD       NAR  12  -8.631   0.588   4.160
   72   HCD2  MMO  12          3HD       NAR  12  -8.395   2.157   3.392
   73   HH21  MMO  12          1HH1      NAR  12 -10.256   1.897   4.787
   74   HH22  MMO  12          2HH1      NAR  12 -11.979   2.007   4.638
   75   HH11  MMO  12          1HH2      NAR  12 -12.069   0.724   1.387
   76    HC1  MMO  12          2HN       NAR  12  -5.368  -3.623   0.102
   77    HC2  MMO  12          3HN       NAR  12  -6.903  -2.825  -0.321
   78    HC3  MMO  12           H        NAR  12  -6.687  -3.539   1.295
   79    HE   MMO  12           HE       NAR  12  -9.802   0.585   1.594
   80   HH12  MMO  12          2HH2      NAR  12 -13.010   1.338   2.705
   81    HA   E9M  13           HA       NTR  13  -3.554  -1.553   1.959
   82    HD1  E9M  13          1HD       NTR  13  -3.830  -2.177   6.150
   83    HB3  E9M  13          3HB       NTR  13  -2.190  -0.195   3.262
   84    HB2  E9M  13          2HB       NTR  13  -1.803  -1.492   4.390
   85    HE3  E9M  13          3HE       NTR  13  -3.590   1.808   2.957
   86    HE1  E9M  13          1HE       NTR  13  -5.609  -0.671   7.241
   87    HZ3  E9M  13          3HZ       NTR  13  -5.064   3.736   3.364
   88    HZ2  E9M  13          2HZ       NTR  13  -6.759   1.870   6.806
   89    HH2  E9M  13          2HH       NTR  13  -6.614   3.765   5.249
   90    HN3  E9M  13          3HN       NTR  13  -2.772  -3.863   4.682
   91    HN1  E9M  13           H        NTR  13  -3.653  -4.943   3.575
   92    HN2  E9M  13          2HN       NTR  13  -4.483  -4.246   4.986
   93    H    ARG  14           H        ARG  14  -2.946  -3.305   0.585
   94    HA   ARG  14           HA       ARG  14  -0.697  -4.962   1.239
   95    HB3  ARG  14          2HB       ARG  14  -0.921  -5.342  -1.391
   96    HG3  ARG  14          2HG       ARG  14  -3.198  -6.656  -0.604
   97    HD3  ARG  14          2HD       ARG  14  -0.384  -7.229  -0.971
   98    HE   ARG  14           HE       ARG  14  -1.500  -9.386   0.563
   99   HH11  ARG  14          1HH1      ARG  14   0.405  -6.475   0.686
  100   HH12  ARG  14          2HH1      ARG  14   1.241  -6.928   2.135
  101   HH21  ARG  14          1HH2      ARG  14  -0.407  -9.994   2.472
  102   HH22  ARG  14          2HH2      ARG  14   0.779  -8.929   3.149
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   1.311  -2.250   1.267
    2    HA   CYS   1           HA       CYS   1   2.324  -1.155  -1.030
    3    HB3  CYS   1          2HB       CYS   1   4.499  -0.918   0.301
    4    H    THR   2           H        THR   2   4.359  -1.521  -2.163
    5    HA   THR   2           HA       THR   2   5.493  -4.185  -2.072
    6    HB   THR   2           HB       THR   2   3.507  -4.434  -3.558
    7    HG1  THR   2          1HG       THR   2   4.897  -5.893  -4.237
    8   HG21  THR   2          1HG2      THR   2   4.566  -3.195  -5.897
    9   HG22  THR   2          2HG2      THR   2   4.455  -1.982  -4.621
   10   HG23  THR   2          3HG2      THR   2   3.024  -2.898  -5.096
   11    H    ALA   3           H        ALA   3   6.303  -1.325  -1.772
   12    HA   ALA   3           HA       ALA   3   8.743  -1.515  -3.294
   13    HB1  ALA   3          1HB       ALA   3   6.802  -0.289  -4.649
   14    HB2  ALA   3          2HB       ALA   3   7.389   1.084  -3.711
   15    HB3  ALA   3          3HB       ALA   3   8.494   0.197  -4.760
   16    H    SER   4           H        SER   4  10.383  -0.110  -2.543
   17    HA   SER   4           HA       SER   4  10.232   0.494   0.217
   18    HB3  SER   4          2HB       SER   4  12.330   1.693  -1.561
   19    HG   SER   4           HG       SER   4  12.519   0.318   0.914
   20    H    ILE   5           H        ILE   5  11.017   2.738   1.007
   21    HA   ILE   5           HA       ILE   5   8.999   4.589   0.649
   22    HB   ILE   5           HB       ILE   5  11.823   5.349   1.377
   23   HG13  ILE   5          2HG1      ILE   5  11.131   4.852   3.731
   24   HG21  ILE   5          1HG2      ILE   5  10.813   7.108   2.640
   25   HG22  ILE   5          2HG2      ILE   5  10.136   7.149   1.013
   26   HG23  ILE   5          3HG2      ILE   5   9.198   6.466   2.341
   27   HD11  ILE   5          1HD1      ILE   5   8.823   3.449   2.407
   28   HD12  ILE   5          2HD1      ILE   5   9.317   3.237   4.085
   29   HD13  ILE   5          3HD1      ILE   5   8.731   4.804   3.532
   30    HA   PRO   6           HA       PRO   6   8.164   6.456   0.404
   31    HB3  PRO   6          2HB       PRO   6   7.535   8.261  -0.872
   32    HG3  PRO   6          2HG       PRO   6   8.008   8.347  -3.146
   33    HD3  PRO   6          2HD       PRO   6  10.092   7.795  -2.328
   34    HA   PRO   7           HA       PRO   7   6.287   2.460   0.066
   35    HB3  PRO   7          2HB       PRO   7   5.966   2.597   2.337
   36    HG3  PRO   7          2HG       PRO   7   5.543   4.637   3.370
   37    HD3  PRO   7          2HD       PRO   7   7.400   5.200   2.124
   38    H    ILE   8           H        ILE   8   5.236   2.040  -1.786
   39    HA   ILE   8           HA       ILE   8   2.823   3.576  -2.443
   40    HB   ILE   8           HB       ILE   8   4.450   3.486  -4.229
   41   HG13  ILE   8          2HG1      ILE   8   2.123   3.469  -4.913
   42   HG21  ILE   8          1HG2      ILE   8   5.711   1.709  -4.666
   43   HG22  ILE   8          2HG2      ILE   8   4.957   0.913  -3.286
   44   HG23  ILE   8          3HG2      ILE   8   4.294   0.688  -4.904
   45   HD11  ILE   8          1HD1      ILE   8   3.777   3.183  -6.720
   46   HD12  ILE   8          2HD1      ILE   8   3.574   1.435  -6.587
   47   HD13  ILE   8          3HD1      ILE   8   2.216   2.446  -7.078
   48    H    CYS   9           H        CYS   9   1.002   2.724  -1.685
   49    HA   CYS   9           HA       CYS   9   0.723  -0.204  -1.630
   50    HB3  CYS   9          2HB       CYS   9  -1.183   0.280  -0.038
   51    H    HIS  10           H        HIS  10  -1.117  -1.189  -2.471
   52    HA   HIS  10           HA       HIS  10  -2.771   0.522  -4.210
   53    HB3  HIS  10          2HB       HIS  10  -1.350  -0.782  -5.628
   54    HD1  HIS  10          1HD       HIS  10   0.441  -2.456  -5.391
   55    HD2  HIS  10          2HD       HIS  10  -3.128  -3.782  -3.725
   56    HE1  HIS  10          1HE       HIS  10   0.908  -4.786  -4.566
   57    H    DPN  11           H        DPN  11  -3.342  -0.206  -1.485
   58    HA   DPN  11           HA       DPN  11  -5.113  -2.380  -1.287
   59    HB2  DPN  11          2HB       DPN  11  -7.240  -1.453  -1.571
   60    HB3  DPN  11          3HB       DPN  11  -6.327  -0.778  -2.917
   61    HD1  DPN  11          1HD       DPN  11  -4.890   1.430  -1.837
   62    HD2  DPN  11          2HD       DPN  11  -8.803   0.067  -0.862
   63    HE1  DPN  11          1HE       DPN  11  -5.496   3.702  -1.111
   64    HE2  DPN  11          2HE       DPN  11  -9.415   2.335  -0.132
   65    HZ   DPN  11           HZ       DPN  11  -7.762   4.158  -0.257
   66    HA   MMO  12           HA       NAR  12  -4.924  -0.694   2.744
   67   HCB1  MMO  12          2HB       NAR  12  -7.779  -1.659   2.600
   68   HCB2  MMO  12          3HB       NAR  12  -7.073  -0.994   4.068
   69   HCG1  MMO  12          2HG       NAR  12  -6.745   1.128   3.044
   70   HCG2  MMO  12          3HG       NAR  12  -7.162   0.488   1.453
   71   HCD1  MMO  12          2HD       NAR  12  -9.439   0.131   2.134
   72   HCD2  MMO  12          3HD       NAR  12  -9.053   0.569   3.798
   73   HH21  MMO  12          1HH1      NAR  12 -11.254   0.846   2.565
   74   HH22  MMO  12          2HH1      NAR  12 -12.316   2.172   2.222
   75   HH11  MMO  12          1HH2      NAR  12  -9.751   4.532   1.943
   76    HC1  MMO  12          2HN       NAR  12  -6.767  -3.483   1.431
   77    HC2  MMO  12          3HN       NAR  12  -5.527  -3.607   0.162
   78    HC3  MMO  12           H        NAR  12  -7.024  -2.697  -0.144
   79    HE   MMO  12           HE       NAR  12  -8.363   2.779   2.394
   80   HH12  MMO  12          2HH2      NAR  12 -11.460   4.267   1.867
   81    HA   E9M  13           HA       NTR  13  -3.430  -1.570   2.013
   82    HD1  E9M  13          1HD       NTR  13  -3.589  -2.399   6.166
   83    HB3  E9M  13          3HB       NTR  13  -2.209  -0.136   3.341
   84    HB2  E9M  13          2HB       NTR  13  -1.649  -1.423   4.403
   85    HE3  E9M  13          3HE       NTR  13  -3.705   1.797   3.247
   86    HE1  E9M  13          1HE       NTR  13  -5.421  -1.086   7.410
   87    HZ3  E9M  13          3HZ       NTR  13  -5.280   3.596   3.830
   88    HZ2  E9M  13          2HZ       NTR  13  -6.741   1.398   7.184
   89    HH2  E9M  13          2HH       NTR  13  -6.766   3.398   5.757
   90    HN3  E9M  13          3HN       NTR  13  -3.249  -4.937   3.486
   91    HN1  E9M  13           H        NTR  13  -4.314  -4.490   4.842
   92    HN2  E9M  13          2HN       NTR  13  -2.639  -3.890   4.790
   93    H    ARG  14           H        ARG  14  -2.362  -2.600   0.442
   94    HA   ARG  14           HA       ARG  14  -0.051  -4.267   1.178
   95    HB3  ARG  14          2HB       ARG  14  -0.341  -5.039  -1.290
   96    HG3  ARG  14          2HG       ARG  14  -1.077  -6.229   0.949
   97    HD3  ARG  14          2HD       ARG  14  -3.681  -5.727  -0.488
   98    HE   ARG  14           HE       ARG  14  -2.981  -7.842   1.256
   99   HH11  ARG  14          1HH1      ARG  14  -5.522  -5.557   0.592
  100   HH12  ARG  14          2HH1      ARG  14  -6.776  -6.568   1.228
  101   HH21  ARG  14          1HH2      ARG  14  -4.624  -9.184   2.097
  102   HH22  ARG  14          2HH2      ARG  14  -6.265  -8.630   2.085
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   0.154  -3.014  -0.624
    2    HA   CYS   1           HA       CYS   1   1.199  -0.990   0.093
    3    HB3  CYS   1          2HB       CYS   1   2.160  -1.237   2.578
    4    H    THR   2           H        THR   2   3.131  -0.934  -0.825
    5    HA   THR   2           HA       THR   2   4.836  -3.224  -0.917
    6    HB   THR   2           HB       THR   2   6.246  -0.875  -1.733
    7    HG1  THR   2          1HG       THR   2   4.509  -0.443  -3.452
    8   HG21  THR   2          1HG2      THR   2   6.642  -3.005  -2.741
    9   HG22  THR   2          2HG2      THR   2   5.968  -1.954  -3.987
   10   HG23  THR   2          3HG2      THR   2   4.949  -3.163  -3.207
   11    H    ALA   3           H        ALA   3   7.381  -2.305  -0.732
   12    HA   ALA   3           HA       ALA   3   7.661  -1.233   1.988
   13    HB1  ALA   3          1HB       ALA   3   9.036  -2.942   2.729
   14    HB2  ALA   3          2HB       ALA   3   7.812  -3.809   1.803
   15    HB3  ALA   3          3HB       ALA   3   9.396  -3.500   1.095
   16    H    SER   4           H        SER   4   8.009   0.129  -0.471
   17    HA   SER   4           HA       SER   4  10.934   0.494  -0.529
   18    HB3  SER   4          2HB       SER   4  10.375   1.600  -2.822
   19    HG   SER   4           HG       SER   4   9.880  -1.108  -3.034
   20    H    ILE   5           H        ILE   5  11.560   2.774  -1.221
   21    HA   ILE   5           HA       ILE   5   9.838   4.707   0.189
   22    HB   ILE   5           HB       ILE   5  12.114   4.157   1.210
   23   HG13  ILE   5          2HG1      ILE   5  12.265   6.292   2.108
   24   HG21  ILE   5          1HG2      ILE   5  14.056   5.219   0.255
   25   HG22  ILE   5          2HG2      ILE   5  13.336   4.143  -0.940
   26   HG23  ILE   5          3HG2      ILE   5  13.089   5.884  -1.060
   27   HD11  ILE   5          1HD1      ILE   5  11.645   8.361   0.901
   28   HD12  ILE   5          2HD1      ILE   5  13.055   7.541   0.230
   29   HD13  ILE   5          3HD1      ILE   5  11.491   7.408  -0.574
   30    HA   PRO   6           HA       PRO   6   9.094   6.555   0.302
   31    HB3  PRO   6          2HB       PRO   6   8.265   8.512  -0.574
   32    HG3  PRO   6          2HG       PRO   6   8.012   8.786  -2.869
   33    HD3  PRO   6          2HD       PRO   6  10.188   8.029  -2.798
   34    HA   PRO   7           HA       PRO   7   6.468   3.036   0.551
   35    HB3  PRO   7          2HB       PRO   7   6.005   3.633   2.721
   36    HG3  PRO   7          2HG       PRO   7   5.716   5.861   3.317
   37    HD3  PRO   7          2HD       PRO   7   7.699   6.017   2.156
   38    H    ILE   8           H        ILE   8   5.021   2.064  -0.737
   39    HA   ILE   8           HA       ILE   8   3.031   3.753  -2.106
   40    HB   ILE   8           HB       ILE   8   4.792   1.585  -3.145
   41   HG13  ILE   8          2HG1      ILE   8   4.103   4.371  -3.752
   42   HG21  ILE   8          1HG2      ILE   8   1.970   2.094  -4.027
   43   HG22  ILE   8          2HG2      ILE   8   3.182   1.434  -5.124
   44   HG23  ILE   8          3HG2      ILE   8   2.750   0.558  -3.655
   45   HD11  ILE   8          1HD1      ILE   8   6.444   2.701  -3.665
   46   HD12  ILE   8          2HD1      ILE   8   6.379   3.634  -5.160
   47   HD13  ILE   8          3HD1      ILE   8   6.308   4.457  -3.602
   48    H    CYS   9           H        CYS   9   0.946   3.054  -2.202
   49    HA   CYS   9           HA       CYS   9   0.337   0.435  -1.002
   50    HB3  CYS   9          2HB       CYS   9  -1.817   1.734  -0.199
   51    H    HIS  10           H        HIS  10  -0.950  -0.811  -2.194
   52    HA   HIS  10           HA       HIS  10  -2.523   0.461  -4.337
   53    HB3  HIS  10          2HB       HIS  10  -0.815  -0.717  -5.455
   54    HD1  HIS  10          1HD       HIS  10   1.084  -1.402  -3.750
   55    HD2  HIS  10          2HD       HIS  10  -1.897  -4.237  -4.323
   56    HE1  HIS  10          1HE       HIS  10   2.006  -3.546  -2.815
   57    H    DPN  11           H        DPN  11  -3.289  -0.243  -1.572
   58    HA   DPN  11           HA       DPN  11  -4.837  -2.585  -1.501
   59    HB2  DPN  11          2HB       DPN  11  -7.087  -1.151  -1.567
   60    HB3  DPN  11          3HB       DPN  11  -6.415  -1.902  -3.009
   61    HD1  DPN  11          1HD       DPN  11  -6.583  -0.581  -4.865
   62    HD2  DPN  11          2HD       DPN  11  -5.772   1.249  -1.109
   63    HE1  DPN  11          1HE       DPN  11  -6.480   1.618  -5.962
   64    HE2  DPN  11          2HE       DPN  11  -5.667   3.451  -2.201
   65    HZ   DPN  11           HZ       DPN  11  -6.020   3.638  -4.631
   66    HA   MMO  12           HA       NAR  12  -5.287  -0.857   2.482
   67   HCB1  MMO  12          2HB       NAR  12  -8.113  -1.552   1.770
   68   HCB2  MMO  12          3HB       NAR  12  -7.701  -1.191   3.441
   69   HCG1  MMO  12          2HG       NAR  12  -6.703   0.971   2.590
   70   HCG2  MMO  12          3HG       NAR  12  -7.481   0.608   1.048
   71   HCD1  MMO  12          2HD       NAR  12  -8.828   2.104   2.481
   72   HCD2  MMO  12          3HD       NAR  12  -9.652   0.593   2.093
   73   HH21  MMO  12          1HH1      NAR  12 -11.024   1.970   3.160
   74   HH22  MMO  12          2HH1      NAR  12 -11.905   2.028   4.650
   75   HH11  MMO  12          1HH2      NAR  12  -9.445   0.375   6.505
   76    HC1  MMO  12          2HN       NAR  12  -5.569  -3.767  -0.152
   77    HC2  MMO  12          3HN       NAR  12  -7.044  -2.882  -0.608
   78    HC3  MMO  12           H        NAR  12  -6.931  -3.660   0.987
   79    HE   MMO  12           HE       NAR  12  -8.294   0.306   4.536
   80   HH12  MMO  12          2HH2      NAR  12 -11.005   1.121   6.552
   81    HA   E9M  13           HA       NTR  13  -3.776  -1.848   1.950
   82    HD1  E9M  13          1HD       NTR  13  -4.553  -2.494   6.047
   83    HB3  E9M  13          3HB       NTR  13  -2.488  -0.565   3.401
   84    HB2  E9M  13          2HB       NTR  13  -2.286  -1.884   4.551
   85    HE3  E9M  13          3HE       NTR  13  -3.701   1.533   3.013
   86    HE1  E9M  13          1HE       NTR  13  -6.348  -0.898   6.971
   87    HZ3  E9M  13          3HZ       NTR  13  -5.088   3.544   3.306
   88    HZ2  E9M  13          2HZ       NTR  13  -7.281   1.721   6.481
   89    HH2  E9M  13          2HH       NTR  13  -6.841   3.634   5.003
   90    HN3  E9M  13          3HN       NTR  13  -4.232  -5.248   3.487
   91    HN1  E9M  13           H        NTR  13  -5.110  -4.510   4.848
   92    HN2  E9M  13          2HN       NTR  13  -3.359  -4.245   4.670
   93    H    ARG  14           H        ARG  14  -3.074  -3.560   0.601
   94    HA   ARG  14           HA       ARG  14  -1.316  -5.592   1.230
   95    HB3  ARG  14          2HB       ARG  14  -0.565  -5.283  -1.245
   96    HG3  ARG  14          2HG       ARG  14  -3.378  -5.879  -0.400
   97    HD3  ARG  14          2HD       ARG  14  -3.208  -4.989  -2.786
   98    HE   ARG  14           HE       ARG  14  -1.186  -6.860  -3.055
   99   HH11  ARG  14          1HH1      ARG  14  -4.169  -6.050  -4.654
  100   HH12  ARG  14          2HH1      ARG  14  -3.638  -6.605  -6.208
  101   HH21  ARG  14          1HH2      ARG  14  -0.475  -7.594  -5.094
  102   HH22  ARG  14          2HH2      ARG  14  -1.538  -7.484  -6.457
  Start of MODEL   21
    1    H1   CYS   1           H        CYS   1   1.463  -2.684   1.466
    2    HA   CYS   1           HA       CYS   1   2.056  -1.286  -0.936
    3    HB3  CYS   1          2HB       CYS   1   4.318  -0.949   0.242
    4    H    THR   2           H        THR   2   4.162  -1.522  -2.093
    5    HA   THR   2           HA       THR   2   5.382  -4.134  -2.118
    6    HB   THR   2           HB       THR   2   3.331  -4.485  -3.490
    7    HG1  THR   2          1HG       THR   2   4.506  -5.415  -5.250
    8   HG21  THR   2          1HG2      THR   2   2.680  -2.969  -4.985
    9   HG22  THR   2          2HG2      THR   2   4.183  -3.188  -5.880
   10   HG23  THR   2          3HG2      THR   2   4.090  -1.984  -4.595
   11    H    ALA   3           H        ALA   3   6.178  -1.342  -1.762
   12    HA   ALA   3           HA       ALA   3   8.448  -1.366  -3.544
   13    HB1  ALA   3          1HB       ALA   3   7.920   0.296  -4.934
   14    HB2  ALA   3          2HB       ALA   3   6.254   0.048  -4.411
   15    HB3  ALA   3          3HB       ALA   3   7.245   1.282  -3.636
   16    H    SER   4           H        SER   4  10.121   0.088  -2.894
   17    HA   SER   4           HA       SER   4  10.192   0.495  -0.058
   18    HB3  SER   4          2HB       SER   4  12.480   1.368  -0.489
   19    HG   SER   4           HG       SER   4  11.927  -0.992  -1.964
   20    H    ILE   5           H        ILE   5  11.100   2.643   0.785
   21    HA   ILE   5           HA       ILE   5   9.200   4.628   0.553
   22    HB   ILE   5           HB       ILE   5  10.801   4.529   2.403
   23   HG13  ILE   5          2HG1      ILE   5  10.278   6.979   0.842
   24   HG21  ILE   5          1HG2      ILE   5  12.712   4.268   0.465
   25   HG22  ILE   5          2HG2      ILE   5  12.956   5.926   1.014
   26   HG23  ILE   5          3HG2      ILE   5  13.025   4.597   2.169
   27   HD11  ILE   5          1HD1      ILE   5   8.735   7.156   2.412
   28   HD12  ILE   5          2HD1      ILE   5   9.435   5.813   3.317
   29   HD13  ILE   5          3HD1      ILE   5  10.022   7.455   3.581
   30    HA   PRO   6           HA       PRO   6   8.426   6.507   0.361
   31    HB3  PRO   6          2HB       PRO   6   7.853   8.377  -0.848
   32    HG3  PRO   6          2HG       PRO   6   8.303   8.517  -3.125
   33    HD3  PRO   6          2HD       PRO   6  10.373   7.862  -2.351
   34    HA   PRO   7           HA       PRO   7   6.499   2.537  -0.146
   35    HB3  PRO   7          2HB       PRO   7   6.430   2.458   2.149
   36    HG3  PRO   7          2HG       PRO   7   6.184   4.397   3.408
   37    HD3  PRO   7          2HD       PRO   7   7.912   5.040   2.025
   38    H    ILE   8           H        ILE   8   5.018   1.999  -1.611
   39    HA   ILE   8           HA       ILE   8   2.639   3.715  -1.908
   40    HB   ILE   8           HB       ILE   8   3.941   3.946  -3.890
   41   HG13  ILE   8          2HG1      ILE   8   2.270   3.567  -5.393
   42   HG21  ILE   8          1HG2      ILE   8   4.581   1.937  -5.247
   43   HG22  ILE   8          2HG2      ILE   8   5.440   2.107  -3.717
   44   HG23  ILE   8          3HG2      ILE   8   4.125   0.941  -3.865
   45   HD11  ILE   8          1HD1      ILE   8   0.879   1.420  -5.353
   46   HD12  ILE   8          2HD1      ILE   8   2.529   1.333  -5.973
   47   HD13  ILE   8          3HD1      ILE   8   2.169   0.769  -4.341
   48    H    CYS   9           H        CYS   9   0.720   2.788  -1.611
   49    HA   CYS   9           HA       CYS   9   0.593  -0.157  -1.571
   50    HB3  CYS   9          2HB       CYS   9  -1.388   0.228  -0.006
   51    H    HIS  10           H        HIS  10  -1.134  -1.181  -2.546
   52    HA   HIS  10           HA       HIS  10  -2.841   0.537  -4.226
   53    HB3  HIS  10          2HB       HIS  10  -1.289  -0.731  -5.597
   54    HD1  HIS  10          1HD       HIS  10   0.336  -2.241  -4.155
   55    HD2  HIS  10          2HD       HIS  10  -3.280  -4.004  -5.194
   56    HE1  HIS  10          1HE       HIS  10   0.645  -4.702  -3.740
   57    H    DPN  11           H        DPN  11  -3.453  -0.269  -1.541
   58    HA   DPN  11           HA       DPN  11  -5.158  -2.502  -1.430
   59    HB2  DPN  11          2HB       DPN  11  -7.306  -1.634  -1.740
   60    HB3  DPN  11          3HB       DPN  11  -6.385  -0.901  -3.049
   61    HD1  DPN  11          1HD       DPN  11  -5.052   1.335  -1.928
   62    HD2  DPN  11          2HD       DPN  11  -8.916  -0.187  -0.991
   63    HE1  DPN  11          1HE       DPN  11  -5.743   3.569  -1.165
   64    HE2  DPN  11          2HE       DPN  11  -9.612   2.045  -0.226
   65    HZ   DPN  11           HZ       DPN  11  -8.025   3.927  -0.310
   66    HA   MMO  12           HA       NAR  12  -5.182  -0.839   2.627
   67   HCB1  MMO  12          2HB       NAR  12  -7.866  -2.190   2.420
   68   HCB2  MMO  12          3HB       NAR  12  -7.269  -1.538   3.939
   69   HCG1  MMO  12          2HG       NAR  12  -6.936   0.645   2.575
   70   HCG2  MMO  12          3HG       NAR  12  -8.076  -0.101   1.452
   71   HCD1  MMO  12          2HD       NAR  12  -9.662  -0.396   3.327
   72   HCD2  MMO  12          3HD       NAR  12  -8.533   0.451   4.380
   73   HH21  MMO  12          1HH1      NAR  12 -10.375   1.001   5.195
   74   HH22  MMO  12          2HH1      NAR  12 -11.384   2.395   5.398
   75   HH11  MMO  12          1HH2      NAR  12 -10.504   3.835   2.335
   76    HC1  MMO  12          2HN       NAR  12  -5.518  -3.787  -0.010
   77    HC2  MMO  12          3HN       NAR  12  -7.045  -2.934  -0.339
   78    HC3  MMO  12           H        NAR  12  -6.796  -3.740   1.228
   79    HE   MMO  12           HE       NAR  12  -9.179   1.995   2.079
   80   HH12  MMO  12          2HH2      NAR  12 -11.457   4.005   3.770
   81    HA   E9M  13           HA       NTR  13  -3.572  -1.429   1.928
   82    HD1  E9M  13          1HD       NTR  13  -3.700  -2.358   6.064
   83    HB3  E9M  13          3HB       NTR  13  -2.572   0.126   3.317
   84    HB2  E9M  13          2HB       NTR  13  -1.879  -1.104   4.371
   85    HE3  E9M  13          3HE       NTR  13  -4.351   1.809   3.175
   86    HE1  E9M  13          1HE       NTR  13  -5.747  -1.350   7.257
   87    HZ3  E9M  13          3HZ       NTR  13  -6.196   3.344   3.719
   88    HZ2  E9M  13          2HZ       NTR  13  -7.416   0.913   7.006
   89    HH2  E9M  13          2HH       NTR  13  -7.696   2.903   5.594
   90    HN3  E9M  13          3HN       NTR  13  -2.496  -3.669   4.696
   91    HN1  E9M  13           H        NTR  13  -2.812  -4.739   3.309
   92    HN2  E9M  13          2HN       NTR  13  -4.023  -4.581   4.605
   93    H    ARG  14           H        ARG  14  -2.714  -3.557   0.876
   94    HA   ARG  14           HA       ARG  14  -0.084  -4.413   1.435
   95    HB3  ARG  14          2HB       ARG  14  -0.207  -5.300  -0.963
   96    HG3  ARG  14          2HG       ARG  14  -2.281  -6.784  -0.387
   97    HD3  ARG  14          2HD       ARG  14   0.231  -6.762   1.281
   98    HE   ARG  14           HE       ARG  14  -1.927  -8.516   1.493
   99   HH11  ARG  14          1HH1      ARG  14   1.518  -8.623   1.005
  100   HH12  ARG  14          2HH1      ARG  14   1.707 -10.174   1.753
  101   HH21  ARG  14          1HH2      ARG  14  -1.691 -10.559   2.480
  102   HH22  ARG  14          2HH2      ARG  14  -0.120 -11.276   2.590
  Start of MODEL   22
    1    H1   CYS   1           H        CYS   1   1.107  -3.982   1.751
    2    HA   CYS   1           HA       CYS   1   1.243  -1.530   0.127
    3    HB3  CYS   1          2HB       CYS   1   2.637  -0.845   2.310
    4    H    THR   2           H        THR   2   3.518  -0.513   0.217
    5    HA   THR   2           HA       THR   2   5.467  -2.632  -0.402
    6    HB   THR   2           HB       THR   2   5.083   0.119  -1.552
    7    HG1  THR   2          1HG       THR   2   5.379  -2.494  -2.653
    8   HG21  THR   2          1HG2      THR   2   7.575  -1.572  -1.598
    9   HG22  THR   2          2HG2      THR   2   7.412   0.113  -1.102
   10   HG23  THR   2          3HG2      THR   2   7.242  -0.325  -2.801
   11    H    ALA   3           H        ALA   3   7.660  -2.328   0.204
   12    HA   ALA   3           HA       ALA   3   7.946  -0.877   2.707
   13    HB1  ALA   3          1HB       ALA   3   8.735  -3.268   2.313
   14    HB2  ALA   3          2HB       ALA   3  10.062  -2.556   1.393
   15    HB3  ALA   3          3HB       ALA   3   9.865  -2.167   3.102
   16    H    SER   4           H        SER   4   9.261  -0.850  -0.563
   17    HA   SER   4           HA       SER   4  11.408   0.828  -0.319
   18    HB3  SER   4          2HB       SER   4   9.503   1.305  -2.581
   19    HG   SER   4           HG       SER   4  12.043   0.572  -3.158
   20    H    ILE   5           H        ILE   5  11.631   3.139  -0.824
   21    HA   ILE   5           HA       ILE   5   9.416   4.691   0.346
   22    HB   ILE   5           HB       ILE   5  11.482   4.690   1.704
   23   HG13  ILE   5          2HG1      ILE   5  10.355   7.168   0.486
   24   HG21  ILE   5          1HG2      ILE   5  13.514   5.633   0.942
   25   HG22  ILE   5          2HG2      ILE   5  13.002   4.492  -0.299
   26   HG23  ILE   5          3HG2      ILE   5  12.768   6.222  -0.543
   27   HD11  ILE   5          1HD1      ILE   5   9.243   5.962   2.369
   28   HD12  ILE   5          2HD1      ILE   5  10.627   6.393   3.375
   29   HD13  ILE   5          3HD1      ILE   5   9.612   7.658   2.683
   30    HA   PRO   6           HA       PRO   6   8.482   6.516   0.454
   31    HB3  PRO   6          2HB       PRO   6   7.465   8.353  -0.479
   32    HG3  PRO   6          2HG       PRO   6   7.284   8.581  -2.786
   33    HD3  PRO   6          2HD       PRO   6   9.531   8.090  -2.610
   34    HA   PRO   7           HA       PRO   7   6.272   2.718   0.634
   35    HB3  PRO   7          2HB       PRO   7   5.616   3.284   2.761
   36    HG3  PRO   7          2HG       PRO   7   5.027   5.470   3.293
   37    HD3  PRO   7          2HD       PRO   7   7.043   5.847   2.242
   38    H    ILE   8           H        ILE   8   5.541   1.939  -1.263
   39    HA   ILE   8           HA       ILE   8   3.410   3.264  -2.710
   40    HB   ILE   8           HB       ILE   8   5.276   1.020  -3.286
   41   HG13  ILE   8          2HG1      ILE   8   4.647   3.688  -4.279
   42   HG21  ILE   8          1HG2      ILE   8   2.525   1.284  -4.434
   43   HG22  ILE   8          2HG2      ILE   8   3.841   0.606  -5.390
   44   HG23  ILE   8          3HG2      ILE   8   3.367  -0.161  -3.876
   45   HD11  ILE   8          1HD1      ILE   8   6.975   2.639  -5.481
   46   HD12  ILE   8          2HD1      ILE   8   6.847   3.815  -4.172
   47   HD13  ILE   8          3HD1      ILE   8   6.944   2.093  -3.804
   48    H    CYS   9           H        CYS   9   1.374   2.954  -2.114
   49    HA   CYS   9           HA       CYS   9   0.583   0.293  -1.128
   50    HB3  CYS   9          2HB       CYS   9  -1.440   1.669  -0.228
   51    H    HIS  10           H        HIS  10  -1.065  -0.785  -2.088
   52    HA   HIS  10           HA       HIS  10  -2.539   0.576  -4.237
   53    HB3  HIS  10          2HB       HIS  10  -0.785  -0.703  -5.323
   54    HD1  HIS  10          1HD       HIS  10   0.991  -2.301  -4.727
   55    HD2  HIS  10          2HD       HIS  10  -2.758  -3.678  -3.581
   56    HE1  HIS  10          1HE       HIS  10   1.387  -4.574  -3.727
   57    H    DPN  11           H        DPN  11  -3.290  -0.072  -1.504
   58    HA   DPN  11           HA       DPN  11  -4.897  -2.382  -1.381
   59    HB2  DPN  11          2HB       DPN  11  -7.091  -1.534  -1.756
   60    HB3  DPN  11          3HB       DPN  11  -6.129  -1.046  -3.147
   61    HD1  DPN  11          1HD       DPN  11  -4.917   1.333  -2.753
   62    HD2  DPN  11          2HD       DPN  11  -8.529   0.030  -0.917
   63    HE1  DPN  11          1HE       DPN  11  -5.570   3.676  -2.385
   64    HE2  DPN  11          2HE       DPN  11  -9.188   2.371  -0.543
   65    HZ   DPN  11           HZ       DPN  11  -7.708   4.198  -1.279
   66    HA   MMO  12           HA       NAR  12  -5.097  -0.663   2.622
   67   HCB1  MMO  12          2HB       NAR  12  -7.929  -1.455   2.051
   68   HCB2  MMO  12          3HB       NAR  12  -7.449  -1.085   3.702
   69   HCG1  MMO  12          2HG       NAR  12  -6.455   1.075   2.549
   70   HCG2  MMO  12          3HG       NAR  12  -7.692   0.701   1.347
   71   HCD1  MMO  12          2HD       NAR  12  -8.052   1.281   4.277
   72   HCD2  MMO  12          3HD       NAR  12  -8.699   2.174   2.902
   73   HH21  MMO  12          1HH1      NAR  12  -9.671   1.798   1.254
   74   HH22  MMO  12          2HH1      NAR  12 -11.196   1.247   0.643
   75   HH11  MMO  12          1HH2      NAR  12 -11.796  -0.945   3.300
   76    HC1  MMO  12          2HN       NAR  12  -6.866  -2.815  -0.395
   77    HC2  MMO  12          3HN       NAR  12  -6.696  -3.538   1.222
   78    HC3  MMO  12           H        NAR  12  -5.341  -3.607   0.071
   79    HE   MMO  12           HE       NAR  12  -9.788  -0.211   4.095
   80   HH12  MMO  12          2HH2      NAR  12 -12.404  -0.312   1.807
   81    HA   E9M  13           HA       NTR  13  -3.591  -1.622   1.985
   82    HD1  E9M  13          1HD       NTR  13  -3.995  -2.290   6.160
   83    HB3  E9M  13          3HB       NTR  13  -2.250  -0.298   3.342
   84    HB2  E9M  13          2HB       NTR  13  -1.910  -1.613   4.464
   85    HE3  E9M  13          3HE       NTR  13  -3.604   1.734   3.032
   86    HE1  E9M  13          1HE       NTR  13  -5.775  -0.769   7.229
   87    HZ3  E9M  13          3HZ       NTR  13  -5.054   3.682   3.431
   88    HZ2  E9M  13          2HZ       NTR  13  -6.869   1.798   6.801
   89    HH2  E9M  13          2HH       NTR  13  -6.652   3.711   5.277
   90    HN3  E9M  13          3HN       NTR  13  -2.882  -4.046   4.577
   91    HN1  E9M  13           H        NTR  13  -3.978  -5.044   3.590
   92    HN2  E9M  13          2HN       NTR  13  -4.588  -4.229   5.051
   93    H    ARG  14           H        ARG  14  -3.088  -3.592   0.743
   94    HA   ARG  14           HA       ARG  14  -0.872  -5.229   1.423
   95    HB3  ARG  14          2HB       ARG  14  -1.021  -5.591  -1.222
   96    HG3  ARG  14          2HG       ARG  14  -3.038  -7.101  -0.813
   97    HD3  ARG  14          2HD       ARG  14  -0.440  -7.527  -0.448
   98    HE   ARG  14           HE       ARG  14  -1.235  -7.107   2.194
   99   HH11  ARG  14          1HH1      ARG  14   0.417  -9.507   0.289
  100   HH12  ARG  14          2HH1      ARG  14   1.389 -10.073   1.607
  101   HH21  ARG  14          1HH2      ARG  14   0.037  -7.845   3.938
  102   HH22  ARG  14          2HH2      ARG  14   1.170  -9.128   3.682
  Start of MODEL   23
    1    H1   CYS   1           H        CYS   1   0.722  -2.724   1.752
    2    HA   CYS   1           HA       CYS   1   1.741  -1.321  -0.533
    3    HB3  CYS   1          2HB       CYS   1   3.244  -0.244   1.019
    4    H    THR   2           H        THR   2   4.096  -1.294  -1.038
    5    HA   THR   2           HA       THR   2   5.134  -4.046  -1.054
    6    HB   THR   2           HB       THR   2   4.648  -2.876  -3.262
    7    HG1  THR   2          1HG       THR   2   6.064  -4.272  -3.972
    8   HG21  THR   2          1HG2      THR   2   5.883  -1.093  -3.986
    9   HG22  THR   2          2HG2      THR   2   7.276  -1.513  -2.990
   10   HG23  THR   2          3HG2      THR   2   5.870  -0.741  -2.258
   11    H    ALA   3           H        ALA   3   5.473  -1.593   0.869
   12    HA   ALA   3           HA       ALA   3   7.115  -0.676   2.159
   13    HB1  ALA   3          1HB       ALA   3   8.995  -2.248   2.719
   14    HB2  ALA   3          2HB       ALA   3   7.371  -2.892   2.973
   15    HB3  ALA   3          3HB       ALA   3   8.299  -3.375   1.553
   16    H    SER   4           H        SER   4   7.257   0.607  -0.083
   17    HA   SER   4           HA       SER   4  10.046   0.473  -1.018
   18    HB3  SER   4          2HB       SER   4   7.682   1.802  -2.366
   19    HG   SER   4           HG       SER   4   9.299   1.504  -4.175
   20    H    ILE   5           H        ILE   5  10.776   2.755  -1.844
   21    HA   ILE   5           HA       ILE   5  10.060   4.758   0.196
   22    HB   ILE   5           HB       ILE   5  12.316   3.636   0.547
   23   HG13  ILE   5          2HG1      ILE   5  13.434   5.786   1.076
   24   HG21  ILE   5          1HG2      ILE   5  13.363   5.423  -1.596
   25   HG22  ILE   5          2HG2      ILE   5  14.075   3.973  -0.891
   26   HG23  ILE   5          3HG2      ILE   5  12.736   3.833  -2.030
   27   HD11  ILE   5          1HD1      ILE   5  11.074   7.264   0.018
   28   HD12  ILE   5          2HD1      ILE   5  12.679   7.858   0.446
   29   HD13  ILE   5          3HD1      ILE   5  12.448   6.930  -1.035
   30    HA   PRO   6           HA       PRO   6   9.134   6.385   0.429
   31    HB3  PRO   6          2HB       PRO   6   8.235   8.418  -0.152
   32    HG3  PRO   6          2HG       PRO   6   7.797   8.945  -2.374
   33    HD3  PRO   6          2HD       PRO   6   9.974   8.209  -2.562
   34    HA   PRO   7           HA       PRO   7   6.561   2.820   0.478
   35    HB3  PRO   7          2HB       PRO   7   6.308   3.136   2.740
   36    HG3  PRO   7          2HG       PRO   7   6.076   5.272   3.634
   37    HD3  PRO   7          2HD       PRO   7   7.941   5.593   2.318
   38    H    ILE   8           H        ILE   8   5.043   2.020  -0.835
   39    HA   ILE   8           HA       ILE   8   2.865   3.806  -1.705
   40    HB   ILE   8           HB       ILE   8   2.957   2.988  -3.895
   41   HG13  ILE   8          2HG1      ILE   8   3.113   0.615  -3.433
   42   HG21  ILE   8          1HG2      ILE   8   5.836   3.121  -3.007
   43   HG22  ILE   8          2HG2      ILE   8   5.222   3.408  -4.636
   44   HG23  ILE   8          3HG2      ILE   8   4.806   4.516  -3.328
   45   HD11  ILE   8          1HD1      ILE   8   4.403   1.782  -5.559
   46   HD12  ILE   8          2HD1      ILE   8   5.611   0.681  -4.898
   47   HD13  ILE   8          3HD1      ILE   8   4.028   0.069  -5.377
   48    H    CYS   9           H        CYS   9   0.818   2.964  -1.843
   49    HA   CYS   9           HA       CYS   9   0.480   0.171  -0.968
   50    HB3  CYS   9          2HB       CYS   9  -1.557   0.890   0.243
   51    H    HIS  10           H        HIS  10  -0.787  -1.061  -2.210
   52    HA   HIS  10           HA       HIS  10  -2.375   0.275  -4.302
   53    HB3  HIS  10          2HB       HIS  10  -0.538  -1.009  -5.247
   54    HD1  HIS  10          1HD       HIS  10   1.179  -2.676  -4.675
   55    HD2  HIS  10          2HD       HIS  10  -2.599  -3.884  -3.436
   56    HE1  HIS  10          1HE       HIS  10   1.514  -4.914  -3.577
   57    H    DPN  11           H        DPN  11  -3.220  -0.388  -1.568
   58    HA   DPN  11           HA       DPN  11  -4.804  -2.693  -1.470
   59    HB2  DPN  11          2HB       DPN  11  -7.056  -1.376  -1.704
   60    HB3  DPN  11          3HB       DPN  11  -6.246  -1.991  -3.143
   61    HD1  DPN  11          1HD       DPN  11  -6.106  -0.568  -4.929
   62    HD2  DPN  11          2HD       DPN  11  -6.194   1.068  -1.002
   63    HE1  DPN  11          1HE       DPN  11  -6.070   1.701  -5.879
   64    HE2  DPN  11          2HE       DPN  11  -6.157   3.340  -1.944
   65    HZ   DPN  11           HZ       DPN  11  -6.096   3.659  -4.385
   66    HA   MMO  12           HA       NAR  12  -5.378  -0.791   2.418
   67   HCB1  MMO  12          2HB       NAR  12  -8.141  -1.571   1.613
   68   HCB2  MMO  12          3HB       NAR  12  -7.830  -1.254   3.314
   69   HCG1  MMO  12          2HG       NAR  12  -6.865   0.964   2.604
   70   HCG2  MMO  12          3HG       NAR  12  -7.514   0.630   0.997
   71   HCD1  MMO  12          2HD       NAR  12  -9.011   2.035   2.375
   72   HCD2  MMO  12          3HD       NAR  12  -9.755   0.517   1.870
   73   HH21  MMO  12          1HH1      NAR  12 -11.397   1.298   2.728
   74   HH22  MMO  12          2HH1      NAR  12 -12.440   1.106   4.098
   75   HH11  MMO  12          1HH2      NAR  12  -9.886   0.102   6.264
   76    HC1  MMO  12          2HN       NAR  12  -6.964  -3.013  -0.636
   77    HC2  MMO  12          3HN       NAR  12  -6.920  -3.698   1.006
   78    HC3  MMO  12           H        NAR  12  -5.499  -3.841  -0.055
   79    HE   MMO  12           HE       NAR  12  -8.523   0.359   4.453
   80   HH12  MMO  12          2HH2      NAR  12 -11.579   0.426   6.109
   81    HA   E9M  13           HA       NTR  13  -3.832  -1.741   1.955
   82    HD1  E9M  13          1HD       NTR  13  -4.580  -2.207   6.104
   83    HB3  E9M  13          3HB       NTR  13  -2.519  -0.422   3.366
   84    HB2  E9M  13          2HB       NTR  13  -2.346  -1.703   4.565
   85    HE3  E9M  13          3HE       NTR  13  -3.791   1.622   2.809
   86    HE1  E9M  13          1HE       NTR  13  -6.400  -0.580   6.924
   87    HZ3  E9M  13          3HZ       NTR  13  -5.209   3.627   2.968
   88    HZ2  E9M  13          2HZ       NTR  13  -7.372   1.987   6.261
   89    HH2  E9M  13          2HH       NTR  13  -6.961   3.803   4.660
   90    HN3  E9M  13          3HN       NTR  13  -3.395  -3.989   4.817
   91    HN1  E9M  13           H        NTR  13  -4.136  -5.090   3.631
   92    HN2  E9M  13          2HN       NTR  13  -5.133  -4.360   4.912
   93    H    ARG  14           H        ARG  14  -2.713  -2.885   0.502
   94    HA   ARG  14           HA       ARG  14  -0.592  -4.680   1.468
   95    HB3  ARG  14          2HB       ARG  14  -0.730  -5.733  -0.781
   96    HG3  ARG  14          2HG       ARG  14  -3.314  -5.620   0.758
   97    HD3  ARG  14          2HD       ARG  14  -3.234  -6.469  -1.760
   98    HE   ARG  14           HE       ARG  14  -1.734  -8.489  -0.442
   99   HH11  ARG  14          1HH1      ARG  14  -4.221  -7.995  -2.829
  100   HH12  ARG  14          2HH1      ARG  14  -3.868  -9.458  -3.688
  101   HH21  ARG  14          1HH2      ARG  14  -1.260 -10.416  -1.565
  102   HH22  ARG  14          2HH2      ARG  14  -2.184 -10.834  -2.967
  Start of MODEL   24
    1    H1   CYS   1           H        CYS   1   1.389  -2.617   1.375
    2    HA   CYS   1           HA       CYS   1   2.198  -1.198  -0.934
    3    HB3  CYS   1          2HB       CYS   1   4.336  -0.845   0.451
    4    H    THR   2           H        THR   2   4.192  -1.419  -2.112
    5    HA   THR   2           HA       THR   2   5.664  -3.889  -1.974
    6    HB   THR   2           HB       THR   2   3.613  -4.523  -3.272
    7    HG1  THR   2          1HG       THR   2   5.984  -4.580  -4.846
    8   HG21  THR   2          1HG2      THR   2   4.528  -3.268  -5.734
    9   HG22  THR   2          2HG2      THR   2   4.000  -2.091  -4.531
   10   HG23  THR   2          3HG2      THR   2   2.904  -3.370  -5.056
   11    H    ALA   3           H        ALA   3   6.003  -0.900  -1.988
   12    HA   ALA   3           HA       ALA   3   8.180  -0.847  -3.950
   13    HB1  ALA   3          1HB       ALA   3   6.028   0.350  -4.733
   14    HB2  ALA   3          2HB       ALA   3   6.495   1.595  -3.573
   15    HB3  ALA   3          3HB       ALA   3   7.576   1.178  -4.901
   16    H    SER   4           H        SER   4   9.993   0.254  -3.309
   17    HA   SER   4           HA       SER   4  10.403   0.614  -0.542
   18    HB3  SER   4          2HB       SER   4  12.580   1.696  -1.300
   19    HG   SER   4           HG       SER   4  11.978  -0.731  -1.179
   20    H    ILE   5           H        ILE   5  11.227   2.655   0.447
   21    HA   ILE   5           HA       ILE   5   9.315   4.635   0.497
   22    HB   ILE   5           HB       ILE   5  11.264   4.235   2.122
   23   HG13  ILE   5          2HG1      ILE   5  10.919   6.326   3.090
   24   HG21  ILE   5          1HG2      ILE   5  12.611   6.200   0.273
   25   HG22  ILE   5          2HG2      ILE   5  13.242   5.589   1.802
   26   HG23  ILE   5          3HG2      ILE   5  13.041   4.498   0.432
   27   HD11  ILE   5          1HD1      ILE   5  10.120   8.276   1.533
   28   HD12  ILE   5          2HD1      ILE   5  11.835   7.963   1.793
   29   HD13  ILE   5          3HD1      ILE   5  11.049   7.394   0.321
   30    HA   PRO   6           HA       PRO   6   8.466   6.470   0.483
   31    HB3  PRO   6          2HB       PRO   6   7.780   8.413  -0.533
   32    HG3  PRO   6          2HG       PRO   6   8.133   8.770  -2.803
   33    HD3  PRO   6          2HD       PRO   6  10.254   8.126  -2.169
   34    HA   PRO   7           HA       PRO   7   6.634   2.499  -0.286
   35    HB3  PRO   7          2HB       PRO   7   6.616   2.246   1.998
   36    HG3  PRO   7          2HG       PRO   7   6.337   4.076   3.406
   37    HD3  PRO   7          2HD       PRO   7   8.013   4.876   2.041
   38    H    ILE   8           H        ILE   8   5.163   2.056  -1.791
   39    HA   ILE   8           HA       ILE   8   2.766   3.757  -1.969
   40    HB   ILE   8           HB       ILE   8   4.498   3.493  -3.937
   41   HG13  ILE   8          2HG1      ILE   8   2.665   3.891  -5.539
   42   HG21  ILE   8          1HG2      ILE   8   2.674   1.162  -4.488
   43   HG22  ILE   8          2HG2      ILE   8   4.045   1.710  -5.448
   44   HG23  ILE   8          3HG2      ILE   8   4.313   0.992  -3.860
   45   HD11  ILE   8          1HD1      ILE   8   1.152   2.166  -4.125
   46   HD12  ILE   8          2HD1      ILE   8   0.559   3.708  -3.509
   47   HD13  ILE   8          3HD1      ILE   8   0.510   3.372  -5.240
   48    H    CYS   9           H        CYS   9   0.843   2.873  -1.588
   49    HA   CYS   9           HA       CYS   9   0.676  -0.059  -1.405
   50    HB3  CYS   9          2HB       CYS   9  -1.456   0.539  -0.052
   51    H    HIS  10           H        HIS  10  -1.160  -1.136  -2.234
   52    HA   HIS  10           HA       HIS  10  -2.749   0.415  -4.167
   53    HB3  HIS  10          2HB       HIS  10  -1.357  -0.714  -5.632
   54    HD1  HIS  10          1HD       HIS  10  -2.176  -4.153  -4.694
   55    HD2  HIS  10          2HD       HIS  10   0.955  -1.498  -4.063
   56    HE1  HIS  10          1HE       HIS  10  -0.245  -5.564  -3.913
   57    H    DPN  11           H        DPN  11  -3.461  -0.301  -1.490
   58    HA   DPN  11           HA       DPN  11  -5.052  -2.616  -1.356
   59    HB2  DPN  11          2HB       DPN  11  -7.225  -1.877  -1.812
   60    HB3  DPN  11          3HB       DPN  11  -6.274  -1.157  -3.108
   61    HD1  DPN  11          1HD       DPN  11  -5.107   1.188  -1.994
   62    HD2  DPN  11          2HD       DPN  11  -8.951  -0.480  -1.250
   63    HE1  DPN  11          1HE       DPN  11  -5.949   3.415  -1.373
   64    HE2  DPN  11          2HE       DPN  11  -9.798   1.743  -0.625
   65    HZ   DPN  11           HZ       DPN  11  -8.298   3.694  -0.686
   66    HA   MMO  12           HA       NAR  12  -5.275  -0.857   2.638
   67   HCB1  MMO  12          2HB       NAR  12  -8.059  -1.884   2.180
   68   HCB2  MMO  12          3HB       NAR  12  -7.549  -1.378   3.785
   69   HCG1  MMO  12          2HG       NAR  12  -6.788   0.787   2.508
   70   HCG2  MMO  12          3HG       NAR  12  -7.989   0.243   1.334
   71   HCD1  MMO  12          2HD       NAR  12  -8.391   0.949   4.228
   72   HCD2  MMO  12          3HD       NAR  12  -9.125   1.697   2.810
   73   HH21  MMO  12          1HH1      NAR  12 -10.078   1.154   1.210
   74   HH22  MMO  12          2HH1      NAR  12 -11.551   0.434   0.649
   75   HH11  MMO  12          1HH2      NAR  12 -11.918  -1.667   3.419
   76    HC1  MMO  12          2HN       NAR  12  -5.486  -3.841   0.085
   77    HC2  MMO  12          3HN       NAR  12  -7.023  -3.056  -0.342
   78    HC3  MMO  12           H        NAR  12  -6.816  -3.790   1.266
   79    HE   MMO  12           HE       NAR  12  -9.978  -0.712   4.146
   80   HH12  MMO  12          2HH2      NAR  12 -12.597  -1.169   1.907
   81    HA   E9M  13           HA       NTR  13  -3.710  -1.670   2.027
   82    HD1  E9M  13          1HD       NTR  13  -4.050  -2.373   6.213
   83    HB3  E9M  13          3HB       NTR  13  -2.498  -0.236   3.391
   84    HB2  E9M  13          2HB       NTR  13  -2.043  -1.518   4.510
   85    HE3  E9M  13          3HE       NTR  13  -4.043   1.656   3.068
   86    HE1  E9M  13          1HE       NTR  13  -5.964  -1.022   7.277
   87    HZ3  E9M  13          3HZ       NTR  13  -5.670   3.461   3.459
   88    HZ2  E9M  13          2HZ       NTR  13  -7.296   1.428   6.840
   89    HH2  E9M  13          2HH       NTR  13  -7.263   3.347   5.306
   90    HN3  E9M  13          3HN       NTR  13  -3.410  -4.991   3.585
   91    HN1  E9M  13           H        NTR  13  -4.652  -4.619   4.806
   92    HN2  E9M  13          2HN       NTR  13  -3.029  -3.897   4.935
   93    H    ARG  14           H        ARG  14  -2.489  -2.538   0.488
   94    HA   ARG  14           HA       ARG  14  -0.202  -4.213   1.286
   95    HB3  ARG  14          2HB       ARG  14  -1.575  -5.588  -0.012
   96    HG3  ARG  14          2HG       ARG  14  -1.910  -3.427  -2.077
   97    HD3  ARG  14          2HD       ARG  14  -3.430  -5.995  -1.665
   98    HE   ARG  14           HE       ARG  14  -3.741  -3.835  -3.542
   99   HH11  ARG  14          1HH1      ARG  14  -4.236  -7.232  -2.961
  100   HH12  ARG  14          2HH1      ARG  14  -5.519  -7.376  -4.116
  101   HH21  ARG  14          1HH2      ARG  14  -5.432  -4.012  -5.064
  102   HH22  ARG  14          2HH2      ARG  14  -6.198  -5.544  -5.312