*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7Q              
*TITLE     NMR SOLUTION STRUCTURE OF SFTI-R10                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-ARG-CYS-THR-LYS-SER-ILE-PRO-PRO-ARG-CYS-PHE-PRO-ASP    
*COMPND   3 INHIBITOR;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: 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    INHIBITOR, BIOSYNTHETIC PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK                                
*REVDAT   1   22-APR-20 6U7Q    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name  HB1)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid   2 and name   HE)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.335    0.535    0.535  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.340    0.540    0.540  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   2.990    1.190    1.190  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   2.945    1.145    1.145  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.355    0.555    0.555  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.500    0.700    0.700  
assign (resid   7 and name   HN)   (resid   7 and name   HB)   2.765    0.965    0.965  
assign (resid   7 and name   HN)   (resid   7 and name HG11)   3.385    1.585    1.585  
assign (resid   7 and name   HN)   (resid   7 and name HG12)   3.385    1.585    1.585  
assign (resid   7 and name   HN)   (resid   7 and name HG2#)   3.350    1.550    1.550  
assign (resid   7 and name   HN)   (resid   7 and name HD1#)   3.610    1.810    1.810  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   2.715    0.915    0.915  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.550    0.750    0.750  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.550    0.750    0.750  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.350    0.550    0.550  
assign (resid   4 and name HG2#)   (resid  10 and name   HN)   3.215    1.415    1.415  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.210    1.410    1.410  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.340    0.540    0.540  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.305    0.505    0.505  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.525    0.725    0.725  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.625    0.825    0.825  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.625    0.825    0.825  
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.685    0.885    0.885  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.380    0.580    0.580  
assign (resid   4 and name   HN)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.600    1.800    1.800  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.600    1.800    1.800  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.550    0.750    0.750  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.145    1.345    1.345  
assign (resid   2 and name  HG2)   (resid   3 and name   HN)   3.600    1.800    1.800  
assign (resid   2 and name  HG1)   (resid   3 and name   HN)   3.600    1.800    1.800  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.015    1.215    1.215  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.830    1.030    1.030  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   2.900    1.100    1.100  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.665    0.865    0.865  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   2.720    0.920    0.920  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.210    1.410    1.410  
assign (resid   2 and name   HN)   (resid  12 and name  HB2)   3.100    1.300    1.300  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.895    1.095    1.095  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.895    1.095    1.095  
assign (resid   2 and name   HN)   (resid   2 and name  HG2)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HG1)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.635    0.835    0.835  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.170    1.370    1.370  
assign (resid   4 and name   HB)   (resid   6 and name   HN)   2.935    1.135    1.135  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.100    1.300    1.300  
assign (resid   3 and name   HA)   (resid  12 and name  HD#)   3.410    1.610    1.610  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   3.360    1.560    1.560  
assign (resid   4 and name HG2#)   (resid  12 and name  HD#)   3.285    1.485    1.485  
assign (resid   4 and name HG2#)   (resid  12 and name  HE#)   2.925    1.125    1.125  
assign (resid   4 and name HG2#)   (resid  12 and name   HZ)   3.450    1.650    1.650  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   2.930    1.130    1.130  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.835    1.035    1.035  
assign (resid   4 and name   HN)   (resid  12 and name  HE#)   3.640    1.840    1.840  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.550    0.750    0.750  
assign (resid   7 and name HG2#)   (resid   8 and name   HA)   2.705    0.905    0.905  
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.630    0.830    0.830  
assign (resid   4 and name   HN)   (resid   9 and name   HA)   3.550    1.750    1.750  
assign (resid  12 and name   HN)   (resid  13 and name  HD2)   3.650    1.850    1.850  
assign (resid  12 and name   HN)   (resid  13 and name  HD1)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   8 and name   HA)   3.625    1.825    1.825  
assign (resid   3 and name   HA)   (resid  10 and name   HN)   3.645    1.845    1.845  
assign (resid   4 and name   HN)   (resid  12 and name  HD#)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.550    0.750    0.750  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.315    1.515    1.515  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.960    1.160    1.160  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.200    1.400    1.400  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.575    0.775    0.775  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.670    0.870    0.870  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.560    0.760    0.760  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.510    1.710    1.710  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.550    0.750    0.750  
assign (resid   7 and name   HN)   (resid   7 and name HG1#)   2.980    1.180    1.180  
assign (resid   7 and name HG2#)   (resid   7 and name HG1#)   2.245    0.445    0.445  
assign (resid   7 and name HG2#)   (resid   8 and name  HD#)   3.575    1.775    1.775  
assign (resid   7 and name HG2#)   (resid   9 and name  HD#)   2.965    1.165    1.165  
assign (resid   7 and name HD1#)   (resid   8 and name  HD#)   3.575    1.775    1.775  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.320    0.520    0.520  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.805    1.005    1.005  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.725    0.925    0.925  
assign (resid  10 and name  HB#)   (resid  10 and name  HG#)   2.055    0.255    0.255  
assign (resid  10 and name  HB#)   (resid  12 and name  HE#)   3.400    1.600    1.600  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.590    0.790    0.790  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.670    0.870    0.870  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.390    0.590    0.590  
assign (resid  12 and name  HB2)   (resid  13 and name  HD#)   3.075    1.275    1.275  
assign (resid  12 and name  HB1)   (resid  13 and name  HD#)   2.485    0.685    0.685  
assign (resid  12 and name  HD#)   (resid  13 and name  HD#)   2.925    1.125    1.125  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.835    1.035    1.035  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   3.405    1.605    1.605  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   2.940    1.140    1.140  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.595    0.795    0.795  


!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -127.0   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  153.0   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -111.2   40.9 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  140.4   37.6 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -104.0   52.7 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  144.8   43.4 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -102.5   31.9 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  131.7   31.5 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  148.3   20.1 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  139.9   61.4 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -99.7   28.8 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  124.7   33.2 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -113.1   33.3 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  142.4   24.6 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -94.5   47.6 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  121.4   60.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -84.8   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name OG   )    1.0   60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0   60.0   30.0 2

!HBonds
assign (resid 10 and name HN)(resid 4 and name O) 0 0 2
assign (resid 10 and name N)(resid 4 and name O) 0 0 3
assign (resid 12 and name HN)(resid 2 and name O) 0 0 2
assign (resid 12 and name N)(resid 2 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -7.385  -0.216   4.488
    2    HA2  GLY   1          2HA       GLY   1  -6.073  -1.417   5.987
    3    HA3  GLY   1          1HA       GLY   1  -7.334  -2.644   6.081
    4    H    ARG   2           H        ARG   2  -5.155  -1.254   3.673
    5    HA   ARG   2           HA       ARG   2  -4.158  -3.868   2.956
    6    HB2  ARG   2          2HB       ARG   2  -6.237  -3.596   1.616
    7    HB3  ARG   2          1HB       ARG   2  -5.621  -2.085   0.985
    8    HG2  ARG   2          2HG       ARG   2  -3.773  -3.335  -0.088
    9    HG3  ARG   2          1HG       ARG   2  -4.497  -4.838   0.496
   10    HD2  ARG   2          2HD       ARG   2  -6.566  -4.299  -0.720
   11    HD3  ARG   2          1HD       ARG   2  -5.804  -2.824  -1.313
   12    HE   ARG   2           HE       ARG   2  -4.357  -5.222  -1.918
   13   HH11  ARG   2          1HH1      ARG   2  -6.872  -3.001  -3.047
   14   HH12  ARG   2          2HH1      ARG   2  -6.760  -3.501  -4.681
   15   HH21  ARG   2          1HH2      ARG   2  -4.216  -5.889  -4.158
   16   HH22  ARG   2          2HH2      ARG   2  -5.239  -5.146  -5.314
   17    H    CYS   3           H        CYS   3  -2.033  -3.596   2.240
   18    HA   CYS   3           HA       CYS   3  -1.214  -0.859   1.594
   19    HB2  CYS   3          2HB       CYS   3   0.283  -2.752   3.429
   20    HB3  CYS   3          1HB       CYS   3   0.868  -1.190   2.879
   21    H    THR   4           H        THR   4   0.369  -0.707   0.044
   22    HA   THR   4           HA       THR   4   0.711  -2.949  -1.651
   23    HB   THR   4           HB       THR   4   2.273  -1.424  -2.890
   24    HG1  THR   4          1HG       THR   4   3.107   0.196  -1.833
   25   HG21  THR   4          1HG2      THR   4  -0.358  -0.182  -2.069
   26   HG22  THR   4          2HG2      THR   4  -0.111  -1.322  -3.397
   27   HG23  THR   4          3HG2      THR   4   0.595   0.289  -3.473
   28    H    LYS   5           H        LYS   5   2.411  -4.397  -1.701
   29    HA   LYS   5           HA       LYS   5   4.280  -4.195   0.497
   30    HB2  LYS   5          2HB       LYS   5   4.247  -6.317  -1.662
   31    HB3  LYS   5          1HB       LYS   5   5.048  -6.400  -0.103
   32    HG2  LYS   5          2HG       LYS   5   2.095  -6.504  -0.662
   33    HG3  LYS   5          1HG       LYS   5   3.116  -7.782  -0.029
   34    HD2  LYS   5          2HD       LYS   5   2.471  -5.195   1.399
   35    HD3  LYS   5          1HD       LYS   5   1.685  -6.734   1.707
   36    HE2  LYS   5          2HE       LYS   5   3.845  -7.680   2.415
   37    HE3  LYS   5          1HE       LYS   5   4.615  -6.121   2.120
   38    HZ1  LYS   5          1HZ       LYS   5   4.075  -6.381   4.464
   39    HZ2  LYS   5          2HZ       LYS   5   2.470  -6.666   4.099
   40    HZ3  LYS   5          3HZ       LYS   5   3.136  -5.146   3.799
   41    H    SER   6           H        SER   6   4.199  -3.796  -2.943
   42    HA   SER   6           HA       SER   6   6.968  -3.375  -3.296
   43    HB2  SER   6          2HB       SER   6   6.149  -2.211  -5.400
   44    HB3  SER   6          1HB       SER   6   5.626  -3.887  -5.229
   45    HG   SER   6           HG       SER   6   4.135  -1.685  -4.336
   46    H    ILE   7           H        ILE   7   8.084  -1.673  -2.593
   47    HA   ILE   7           HA       ILE   7   6.786   0.422  -1.191
   48    HB   ILE   7           HB       ILE   7   9.026   1.340  -0.780
   49   HG12  ILE   7          2HG1      ILE   7  10.019  -0.815  -2.677
   50   HG13  ILE   7          1HG1      ILE   7  10.047   0.915  -2.984
   51   HG21  ILE   7          1HG2      ILE   7  10.000  -0.613   0.361
   52   HG22  ILE   7          2HG2      ILE   7   8.868  -1.654  -0.505
   53   HG23  ILE   7          3HG2      ILE   7   8.264  -0.453   0.638
   54   HD11  ILE   7          1HD1      ILE   7  11.581  -0.526  -0.832
   55   HD12  ILE   7          2HD1      ILE   7  11.617   1.211  -1.134
   56   HD13  ILE   7          3HD1      ILE   7  12.243   0.092  -2.345
   57    HA   PRO   8           HA       PRO   8   7.390   2.693  -0.569
   58    HB2  PRO   8          2HB       PRO   8   5.293   4.628  -1.230
   59    HB3  PRO   8          1HB       PRO   8   6.879   4.917  -0.513
   60    HG2  PRO   8          2HG       PRO   8   6.304   5.684  -3.024
   61    HG3  PRO   8          1HG       PRO   8   7.918   5.111  -2.564
   62    HD2  PRO   8          2HD       PRO   8   5.711   3.631  -3.957
   63    HD3  PRO   8          1HD       PRO   8   7.447   3.676  -4.336
   64    HA   PRO   9           HA       PRO   9   3.796   0.361   0.569
   65    HB2  PRO   9          2HB       PRO   9   3.804   0.858   3.256
   66    HB3  PRO   9          1HB       PRO   9   4.917  -0.278   2.488
   67    HG2  PRO   9          2HG       PRO   9   5.390   2.530   3.378
   68    HG3  PRO   9          1HG       PRO   9   6.471   1.131   3.467
   69    HD2  PRO   9          2HD       PRO   9   6.670   3.085   1.566
   70    HD3  PRO   9          1HD       PRO   9   7.208   1.413   1.314
   71    H    ARG  10           H        ARG  10   2.116   1.354  -0.296
   72    HA   ARG  10           HA       ARG  10   1.051   3.787   0.921
   73    HB2  ARG  10          2HB       ARG  10   0.374   2.404  -1.686
   74    HB3  ARG  10          1HB       ARG  10  -0.294   3.935  -1.137
   75    HG2  ARG  10          2HG       ARG  10   1.888   4.979  -1.271
   76    HG3  ARG  10          1HG       ARG  10   2.624   3.435  -1.695
   77    HD2  ARG  10          2HD       ARG  10   0.614   4.983  -3.324
   78    HD3  ARG  10          1HD       ARG  10   2.331   4.800  -3.674
   79    HE   ARG  10           HE       ARG  10   0.257   2.757  -3.885
   80   HH11  ARG  10          1HH1      ARG  10   3.614   3.716  -4.545
   81   HH12  ARG  10          2HH1      ARG  10   3.923   2.407  -5.581
   82   HH21  ARG  10          1HH2      ARG  10   0.688   0.996  -5.325
   83   HH22  ARG  10          2HH2      ARG  10   2.217   0.812  -6.048
   84    H    CYS  11           H        CYS  11  -0.570   3.517   2.290
   85    HA   CYS  11           HA       CYS  11  -1.930   0.956   2.217
   86    HB2  CYS  11          2HB       CYS  11  -1.572   2.893   4.495
   87    HB3  CYS  11          1HB       CYS  11  -2.504   1.397   4.571
   88    H    PHE  12           H        PHE  12  -3.970   0.787   2.052
   89    HA   PHE  12           HA       PHE  12  -5.470   3.145   1.272
   90    HB2  PHE  12          2HB       PHE  12  -6.162   0.210   0.971
   91    HB3  PHE  12          1HB       PHE  12  -6.982   1.565   0.203
   92    HD1  PHE  12          1HD       PHE  12  -4.246  -0.756   0.018
   93    HD2  PHE  12          2HD       PHE  12  -5.748   2.916  -1.506
   94    HE1  PHE  12          1HE       PHE  12  -2.700  -0.922  -1.870
   95    HE2  PHE  12          2HE       PHE  12  -4.196   2.752  -3.407
   96    HZ   PHE  12           HZ       PHE  12  -2.669   0.827  -3.583
   97    HA   PRO  13           HA       PRO  13  -7.680   3.151   5.099
   98    HB2  PRO  13          2HB       PRO  13 -10.161   3.766   3.679
   99    HB3  PRO  13          1HB       PRO  13  -9.275   4.750   4.846
  100    HG2  PRO  13          2HG       PRO  13  -9.333   5.369   2.239
  101    HG3  PRO  13          1HG       PRO  13  -7.888   5.646   3.227
  102    HD2  PRO  13          2HD       PRO  13  -8.463   3.467   1.267
  103    HD3  PRO  13          1HD       PRO  13  -6.962   4.369   1.562
  104    H    ASP  14           H        ASP  14  -8.528   0.940   2.707
  105    HA   ASP  14           HA       ASP  14 -10.616  -0.287   4.316
  106    HB2  ASP  14          2HB       ASP  14 -10.854  -1.956   2.537
  107    HB3  ASP  14          1HB       ASP  14 -10.921  -0.335   1.874
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.410  -0.235   4.407
    2    HA2  GLY   1          2HA       GLY   1  -6.043  -1.353   5.905
    3    HA3  GLY   1          1HA       GLY   1  -7.223  -2.660   5.964
    4    H    ARG   2           H        ARG   2  -5.279  -1.186   3.472
    5    HA   ARG   2           HA       ARG   2  -4.022  -3.741   2.924
    6    HB2  ARG   2          2HB       ARG   2  -5.936  -3.776   1.506
    7    HB3  ARG   2          1HB       ARG   2  -5.688  -2.115   1.022
    8    HG2  ARG   2          2HG       ARG   2  -3.750  -2.757  -0.275
    9    HG3  ARG   2          1HG       ARG   2  -3.902  -4.422   0.298
   10    HD2  ARG   2          2HD       ARG   2  -4.877  -3.912  -2.007
   11    HD3  ARG   2          1HD       ARG   2  -5.928  -4.758  -0.870
   12    HE   ARG   2           HE       ARG   2  -6.966  -2.583  -0.399
   13   HH11  ARG   2          1HH1      ARG   2  -5.403  -3.016  -3.569
   14   HH12  ARG   2          2HH1      ARG   2  -6.246  -1.706  -4.267
   15   HH21  ARG   2          1HH2      ARG   2  -8.032  -0.880  -1.344
   16   HH22  ARG   2          2HH2      ARG   2  -7.793  -0.447  -2.987
   17    H    CYS   3           H        CYS   3  -1.967  -3.258   3.104
   18    HA   CYS   3           HA       CYS   3  -1.044  -0.655   2.110
   19    HB2  CYS   3          2HB       CYS   3   0.363  -2.605   3.958
   20    HB3  CYS   3          1HB       CYS   3   0.923  -0.994   3.521
   21    H    THR   4           H        THR   4   0.516  -0.553   0.571
   22    HA   THR   4           HA       THR   4   0.569  -2.767  -1.132
   23    HB   THR   4           HB       THR   4   2.153  -1.395  -2.511
   24    HG1  THR   4          1HG       THR   4   3.194   0.012  -1.438
   25   HG21  THR   4          1HG2      THR   4   0.519   0.365  -3.053
   26   HG22  THR   4          2HG2      THR   4  -0.344   0.008  -1.557
   27   HG23  THR   4          3HG2      THR   4  -0.256  -1.204  -2.836
   28    H    LYS   5           H        LYS   5   2.017  -4.252  -1.463
   29    HA   LYS   5           HA       LYS   5   4.152  -4.629   0.441
   30    HB2  LYS   5          2HB       LYS   5   3.373  -6.260  -1.983
   31    HB3  LYS   5          1HB       LYS   5   4.422  -6.793  -0.681
   32    HG2  LYS   5          2HG       LYS   5   1.480  -6.142  -0.416
   33    HG3  LYS   5          1HG       LYS   5   2.160  -7.761  -0.511
   34    HD2  LYS   5          2HD       LYS   5   2.733  -5.746   1.674
   35    HD3  LYS   5          1HD       LYS   5   1.601  -7.091   1.800
   36    HE2  LYS   5          2HE       LYS   5   3.439  -8.664   1.422
   37    HE3  LYS   5          1HE       LYS   5   4.568  -7.318   1.312
   38    HZ1  LYS   5          1HZ       LYS   5   4.621  -8.312   3.471
   39    HZ2  LYS   5          2HZ       LYS   5   2.981  -8.051   3.718
   40    HZ3  LYS   5          3HZ       LYS   5   4.034  -6.743   3.600
   41    H    SER   6           H        SER   6   3.636  -3.284  -2.615
   42    HA   SER   6           HA       SER   6   6.351  -3.378  -3.496
   43    HB2  SER   6          2HB       SER   6   5.131  -1.956  -5.325
   44    HB3  SER   6          1HB       SER   6   4.808  -3.686  -5.215
   45    HG   SER   6           HG       SER   6   3.065  -1.686  -4.983
   46    H    ILE   7           H        ILE   7   7.619  -1.491  -3.615
   47    HA   ILE   7           HA       ILE   7   6.975   0.450  -1.562
   48    HB   ILE   7           HB       ILE   7   9.311   1.265  -1.858
   49   HG12  ILE   7          2HG1      ILE   7   9.563  -1.021  -3.841
   50   HG13  ILE   7          1HG1      ILE   7   9.572   0.688  -4.254
   51   HG21  ILE   7          1HG2      ILE   7  10.422  -0.726  -0.929
   52   HG22  ILE   7          2HG2      ILE   7   9.037  -1.706  -1.410
   53   HG23  ILE   7          3HG2      ILE   7   8.843  -0.443  -0.198
   54   HD11  ILE   7          1HD1      ILE   7  11.815  -0.248  -4.260
   55   HD12  ILE   7          2HD1      ILE   7  11.627  -0.741  -2.576
   56   HD13  ILE   7          3HD1      ILE   7  11.650   0.971  -2.997
   57    HA   PRO   8           HA       PRO   8   7.538   2.461  -0.919
   58    HB2  PRO   8          2HB       PRO   8   5.707   4.701  -0.891
   59    HB3  PRO   8          1HB       PRO   8   7.455   4.720  -0.656
   60    HG2  PRO   8          2HG       PRO   8   6.215   5.799  -2.840
   61    HG3  PRO   8          1HG       PRO   8   7.872   5.179  -2.857
   62    HD2  PRO   8          2HD       PRO   8   5.354   3.878  -3.812
   63    HD3  PRO   8          1HD       PRO   8   6.975   3.897  -4.543
   64    HA   PRO   9           HA       PRO   9   3.837   0.367   0.326
   65    HB2  PRO   9          2HB       PRO   9   4.268   0.409   3.032
   66    HB3  PRO   9          1HB       PRO   9   5.039  -0.740   1.938
   67    HG2  PRO   9          2HG       PRO   9   6.135   1.745   3.158
   68    HG3  PRO   9          1HG       PRO   9   6.950   0.211   2.815
   69    HD2  PRO   9          2HD       PRO   9   7.203   2.453   1.281
   70    HD3  PRO   9          1HD       PRO   9   7.403   0.806   0.652
   71    H    ARG  10           H        ARG  10   2.046   1.406   0.132
   72    HA   ARG  10           HA       ARG  10   1.400   3.644   1.942
   73    HB2  ARG  10          2HB       ARG  10   0.454   3.146  -0.888
   74    HB3  ARG  10          1HB       ARG  10  -0.158   4.415   0.160
   75    HG2  ARG  10          2HG       ARG  10   2.051   5.428   0.234
   76    HG3  ARG  10          1HG       ARG  10   2.676   4.144  -0.801
   77    HD2  ARG  10          2HD       ARG  10   1.183   4.826  -2.586
   78    HD3  ARG  10          1HD       ARG  10   0.486   6.074  -1.550
   79    HE   ARG  10           HE       ARG  10   3.068   6.676  -1.493
   80   HH11  ARG  10          1HH1      ARG  10   0.852   6.094  -4.212
   81   HH12  ARG  10          2HH1      ARG  10   1.707   7.100  -5.290
   82   HH21  ARG  10          1HH2      ARG  10   4.218   8.104  -3.028
   83   HH22  ARG  10          2HH2      ARG  10   3.610   8.239  -4.613
   84    H    CYS  11           H        CYS  11  -0.699   3.596   2.842
   85    HA   CYS  11           HA       CYS  11  -1.920   0.957   2.623
   86    HB2  CYS  11          2HB       CYS  11  -1.951   2.878   4.947
   87    HB3  CYS  11          1HB       CYS  11  -2.752   1.311   4.897
   88    H    PHE  12           H        PHE  12  -3.741   0.823   1.718
   89    HA   PHE  12           HA       PHE  12  -5.306   3.115   1.056
   90    HB2  PHE  12          2HB       PHE  12  -5.833   0.146   0.729
   91    HB3  PHE  12          1HB       PHE  12  -6.850   1.414   0.069
   92    HD1  PHE  12          1HD       PHE  12  -3.768  -0.466  -0.301
   93    HD2  PHE  12          2HD       PHE  12  -6.048   2.791  -1.799
   94    HE1  PHE  12          1HE       PHE  12  -2.423  -0.476  -2.349
   95    HE2  PHE  12          2HE       PHE  12  -4.701   2.789  -3.855
   96    HZ   PHE  12           HZ       PHE  12  -2.885   1.148  -4.134
   97    HA   PRO  13           HA       PRO  13  -8.005   3.276   4.583
   98    HB2  PRO  13          2HB       PRO  13 -10.306   3.324   2.702
   99    HB3  PRO  13          1HB       PRO  13  -9.860   4.483   3.959
  100    HG2  PRO  13          2HG       PRO  13  -9.464   5.089   1.428
  101    HG3  PRO  13          1HG       PRO  13  -8.218   5.471   2.631
  102    HD2  PRO  13          2HD       PRO  13  -8.326   3.192   0.685
  103    HD3  PRO  13          1HD       PRO  13  -6.965   4.259   1.099
  104    H    ASP  14           H        ASP  14  -8.503   0.771   2.248
  105    HA   ASP  14           HA       ASP  14 -10.478  -0.623   3.848
  106    HB2  ASP  14          2HB       ASP  14 -10.448  -2.327   2.059
  107    HB3  ASP  14          1HB       ASP  14 -10.742  -0.711   1.439
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -7.449  -0.209   4.673
    2    HA2  GLY   1          2HA       GLY   1  -6.056  -1.559   5.996
    3    HA3  GLY   1          1HA       GLY   1  -7.340  -2.764   6.073
    4    H    ARG   2           H        ARG   2  -4.976  -1.331   3.921
    5    HA   ARG   2           HA       ARG   2  -4.428  -3.849   2.611
    6    HB2  ARG   2          2HB       ARG   2  -6.523  -2.944   1.544
    7    HB3  ARG   2          1HB       ARG   2  -5.597  -1.528   1.087
    8    HG2  ARG   2          2HG       ARG   2  -4.091  -3.042  -0.210
    9    HG3  ARG   2          1HG       ARG   2  -5.237  -4.345   0.123
   10    HD2  ARG   2          2HD       ARG   2  -5.716  -1.805  -1.424
   11    HD3  ARG   2          1HD       ARG   2  -5.818  -3.466  -2.004
   12    HE   ARG   2           HE       ARG   2  -7.651  -2.761   0.129
   13   HH11  ARG   2          1HH1      ARG   2  -7.241  -2.925  -3.380
   14   HH12  ARG   2          2HH1      ARG   2  -8.907  -3.079  -3.691
   15   HH21  ARG   2          1HH2      ARG   2  -9.828  -2.925  -0.251
   16   HH22  ARG   2          2HH2      ARG   2 -10.478  -3.076  -1.829
   17    H    CYS   3           H        CYS   3  -2.246  -3.665   2.058
   18    HA   CYS   3           HA       CYS   3  -1.244  -0.973   1.510
   19    HB2  CYS   3          2HB       CYS   3   0.110  -3.009   3.298
   20    HB3  CYS   3          1HB       CYS   3   0.841  -1.507   2.751
   21    H    THR   4           H        THR   4   0.686  -0.939   0.226
   22    HA   THR   4           HA       THR   4   0.744  -3.048  -1.696
   23    HB   THR   4           HB       THR   4   2.606  -1.675  -2.688
   24    HG1  THR   4          1HG       THR   4   3.547  -0.494  -1.186
   25   HG21  THR   4          1HG2      THR   4   0.287  -1.287  -3.380
   26   HG22  THR   4          2HG2      THR   4   1.184   0.230  -3.346
   27   HG23  THR   4          3HG2      THR   4   0.067  -0.162  -2.040
   28    H    LYS   5           H        LYS   5   2.461  -4.505  -2.012
   29    HA   LYS   5           HA       LYS   5   4.234  -4.815   0.294
   30    HB2  LYS   5          2HB       LYS   5   3.656  -6.716  -2.007
   31    HB3  LYS   5          1HB       LYS   5   4.623  -7.084  -0.585
   32    HG2  LYS   5          2HG       LYS   5   2.637  -6.771   0.827
   33    HG3  LYS   5          1HG       LYS   5   1.679  -6.460  -0.616
   34    HD2  LYS   5          2HD       LYS   5   2.231  -8.708  -1.446
   35    HD3  LYS   5          1HD       LYS   5   3.148  -9.013   0.030
   36    HE2  LYS   5          2HE       LYS   5   0.200  -8.392  -0.122
   37    HE3  LYS   5          1HE       LYS   5   0.897  -9.991   0.132
   38    HZ1  LYS   5          1HZ       LYS   5   1.161  -7.669   1.994
   39    HZ2  LYS   5          2HZ       LYS   5   1.858  -9.172   2.214
   40    HZ3  LYS   5          3HZ       LYS   5   0.183  -9.022   2.206
   41    H    SER   6           H        SER   6   4.241  -2.967  -2.043
   42    HA   SER   6           HA       SER   6   6.959  -3.344  -3.013
   43    HB2  SER   6          2HB       SER   6   6.078  -1.836  -4.842
   44    HB3  SER   6          1HB       SER   6   5.344  -3.445  -4.800
   45    HG   SER   6           HG       SER   6   3.599  -2.318  -4.799
   46    H    ILE   7           H        ILE   7   7.922  -1.078  -3.417
   47    HA   ILE   7           HA       ILE   7   7.105   0.707  -1.256
   48    HB   ILE   7           HB       ILE   7   9.375   1.712  -1.441
   49   HG12  ILE   7          2HG1      ILE   7   9.976  -0.643  -3.253
   50   HG13  ILE   7          1HG1      ILE   7   9.843   1.029  -3.780
   51   HG21  ILE   7          1HG2      ILE   7   8.936   0.087   0.285
   52   HG22  ILE   7          2HG2      ILE   7  10.579  -0.127  -0.322
   53   HG23  ILE   7          3HG2      ILE   7   9.302  -1.234  -0.825
   54   HD11  ILE   7          1HD1      ILE   7  11.890  -0.065  -1.870
   55   HD12  ILE   7          2HD1      ILE   7  11.765   1.611  -2.397
   56   HD13  ILE   7          3HD1      ILE   7  12.164   0.349  -3.563
   57    HA   PRO   8           HA       PRO   8   7.603   2.857  -0.688
   58    HB2  PRO   8          2HB       PRO   8   5.855   4.916  -0.443
   59    HB3  PRO   8          1HB       PRO   8   7.478   5.140  -1.105
   60    HG2  PRO   8          2HG       PRO   8   4.874   4.847  -2.547
   61    HG3  PRO   8          1HG       PRO   8   6.206   5.971  -2.864
   62    HD2  PRO   8          2HD       PRO   8   5.830   3.694  -4.291
   63    HD3  PRO   8          1HD       PRO   8   7.433   4.397  -4.005
   64    HA   PRO   9           HA       PRO   9   4.122   0.535   0.787
   65    HB2  PRO   9          2HB       PRO   9   4.019   1.437   3.390
   66    HB3  PRO   9          1HB       PRO   9   5.140   0.197   2.823
   67    HG2  PRO   9          2HG       PRO   9   5.608   3.101   3.307
   68    HG3  PRO   9          1HG       PRO   9   6.683   1.725   3.603
   69    HD2  PRO   9          2HD       PRO   9   6.965   3.375   1.474
   70    HD3  PRO   9          1HD       PRO   9   7.403   1.654   1.421
   71    H    ARG  10           H        ARG  10   2.352   1.218  -0.155
   72    HA   ARG  10           HA       ARG  10   1.084   3.697   0.745
   73    HB2  ARG  10          2HB       ARG  10   0.968   2.146  -1.837
   74    HB3  ARG  10          1HB       ARG  10  -0.177   3.426  -1.448
   75    HG2  ARG  10          2HG       ARG  10   1.401   5.086  -1.622
   76    HG3  ARG  10          1HG       ARG  10   2.742   3.991  -1.279
   77    HD2  ARG  10          2HD       ARG  10   1.102   3.896  -3.801
   78    HD3  ARG  10          1HD       ARG  10   2.606   4.810  -3.633
   79    HE   ARG  10           HE       ARG  10   3.220   2.318  -2.767
   80   HH11  ARG  10          1HH1      ARG  10   2.056   3.678  -5.818
   81   HH12  ARG  10          2HH1      ARG  10   2.711   2.453  -6.792
   82   HH21  ARG  10          1HH2      ARG  10   4.120   0.593  -4.120
   83   HH22  ARG  10          2HH2      ARG  10   3.908   0.637  -5.794
   84    H    CYS  11           H        CYS  11  -0.688   3.454   1.914
   85    HA   CYS  11           HA       CYS  11  -1.972   0.835   1.868
   86    HB2  CYS  11          2HB       CYS  11  -1.660   2.707   4.226
   87    HB3  CYS  11          1HB       CYS  11  -2.559   1.193   4.238
   88    H    PHE  12           H        PHE  12  -4.172   0.769   2.216
   89    HA   PHE  12           HA       PHE  12  -5.547   3.210   1.378
   90    HB2  PHE  12          2HB       PHE  12  -6.262   0.318   0.804
   91    HB3  PHE  12          1HB       PHE  12  -7.199   1.710   0.292
   92    HD1  PHE  12          1HD       PHE  12  -6.269   3.285  -1.378
   93    HD2  PHE  12          2HD       PHE  12  -4.311  -0.365  -0.403
   94    HE1  PHE  12          1HE       PHE  12  -4.942   3.453  -3.431
   95    HE2  PHE  12          2HE       PHE  12  -2.978  -0.206  -2.465
   96    HZ   PHE  12           HZ       PHE  12  -3.290   1.704  -3.983
   97    HA   PRO  13           HA       PRO  13  -7.748   3.312   5.137
   98    HB2  PRO  13          2HB       PRO  13 -10.220   4.122   4.348
   99    HB3  PRO  13          1HB       PRO  13  -8.811   5.188   4.415
  100    HG2  PRO  13          2HG       PRO  13  -9.984   3.743   2.067
  101    HG3  PRO  13          1HG       PRO  13  -9.423   5.423   2.175
  102    HD2  PRO  13          2HD       PRO  13  -7.919   3.536   1.053
  103    HD3  PRO  13          1HD       PRO  13  -7.192   4.809   2.052
  104    H    ASP  14           H        ASP  14  -8.503   0.852   3.032
  105    HA   ASP  14           HA       ASP  14 -10.662  -0.152   4.750
  106    HB2  ASP  14          2HB       ASP  14 -11.247  -1.671   2.999
  107    HB3  ASP  14          1HB       ASP  14 -11.043  -0.089   2.262
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -7.316  -0.337   4.541
    2    HA2  GLY   1          2HA       GLY   1  -6.081  -1.759   5.930
    3    HA3  GLY   1          1HA       GLY   1  -7.357  -2.961   5.772
    4    H    ARG   2           H        ARG   2  -4.996  -1.325   3.743
    5    HA   ARG   2           HA       ARG   2  -3.981  -3.795   2.735
    6    HB2  ARG   2          2HB       ARG   2  -6.003  -3.716   1.463
    7    HB3  ARG   2          1HB       ARG   2  -5.771  -2.023   1.092
    8    HG2  ARG   2          2HG       ARG   2  -3.881  -2.593  -0.333
    9    HG3  ARG   2          1HG       ARG   2  -4.104  -4.303   0.060
   10    HD2  ARG   2          2HD       ARG   2  -5.151  -3.592  -2.108
   11    HD3  ARG   2          1HD       ARG   2  -6.255  -4.342  -0.960
   12    HE   ARG   2           HE       ARG   2  -7.091  -2.147  -0.407
   13   HH11  ARG   2          1HH1      ARG   2  -5.120  -2.257  -3.345
   14   HH12  ARG   2          2HH1      ARG   2  -5.918  -0.941  -4.084
   15   HH21  ARG   2          1HH2      ARG   2  -8.124  -0.370  -1.376
   16   HH22  ARG   2          2HH2      ARG   2  -7.681   0.189  -2.935
   17    H    CYS   3           H        CYS   3  -1.895  -3.357   2.518
   18    HA   CYS   3           HA       CYS   3  -1.085  -0.691   1.591
   19    HB2  CYS   3          2HB       CYS   3   0.452  -2.598   3.384
   20    HB3  CYS   3          1HB       CYS   3   1.045  -1.055   2.791
   21    H    THR   4           H        THR   4   0.487  -0.671  -0.043
   22    HA   THR   4           HA       THR   4   0.616  -2.994  -1.615
   23    HB   THR   4           HB       THR   4   2.329  -1.666  -2.937
   24    HG1  THR   4          1HG       THR   4   3.237  -0.133  -1.905
   25   HG21  THR   4          1HG2      THR   4  -0.276  -0.273  -2.298
   26   HG22  THR   4          2HG2      THR   4  -0.052  -1.547  -3.498
   27   HG23  THR   4          3HG2      THR   4   0.715   0.025  -3.726
   28    H    LYS   5           H        LYS   5   2.136  -4.557  -1.701
   29    HA   LYS   5           HA       LYS   5   3.980  -4.772   0.486
   30    HB2  LYS   5          2HB       LYS   5   4.662  -6.903  -0.564
   31    HB3  LYS   5          1HB       LYS   5   2.921  -6.808  -0.360
   32    HG2  LYS   5          2HG       LYS   5   2.666  -6.250  -2.723
   33    HG3  LYS   5          1HG       LYS   5   4.414  -6.310  -2.933
   34    HD2  LYS   5          2HD       LYS   5   2.653  -8.612  -2.095
   35    HD3  LYS   5          1HD       LYS   5   3.297  -8.359  -3.715
   36    HE2  LYS   5          2HE       LYS   5   5.585  -8.509  -2.781
   37    HE3  LYS   5          1HE       LYS   5   4.893  -8.859  -1.200
   38    HZ1  LYS   5          1HZ       LYS   5   4.544 -10.483  -3.643
   39    HZ2  LYS   5          2HZ       LYS   5   3.877 -10.854  -2.135
   40    HZ3  LYS   5          3HZ       LYS   5   5.549 -10.873  -2.361
   41    H    SER   6           H        SER   6   4.001  -3.535  -2.664
   42    HA   SER   6           HA       SER   6   6.853  -3.415  -2.776
   43    HB2  SER   6          2HB       SER   6   6.194  -2.233  -4.984
   44    HB3  SER   6          1HB       SER   6   5.915  -3.970  -4.847
   45    HG   SER   6           HG       SER   6   4.151  -1.928  -5.117
   46    H    ILE   7           H        ILE   7   7.923  -1.596  -2.327
   47    HA   ILE   7           HA       ILE   7   6.416   0.546  -1.080
   48    HB   ILE   7           HB       ILE   7   8.605   1.366  -0.284
   49   HG12  ILE   7          2HG1      ILE   7   9.728  -1.064  -1.704
   50   HG13  ILE   7          1HG1      ILE   7   9.981   0.610  -2.186
   51   HG21  ILE   7          1HG2      ILE   7   8.119  -1.564   0.210
   52   HG22  ILE   7          2HG2      ILE   7   7.348  -0.225   1.057
   53   HG23  ILE   7          3HG2      ILE   7   9.083  -0.499   1.233
   54   HD11  ILE   7          1HD1      ILE   7  11.909  -0.252  -1.032
   55   HD12  ILE   7          2HD1      ILE   7  10.914  -0.686   0.354
   56   HD13  ILE   7          3HD1      ILE   7  11.145   1.011  -0.063
   57    HA   PRO   8           HA       PRO   8   7.260   3.050  -0.464
   58    HB2  PRO   8          2HB       PRO   8   5.381   4.938  -1.226
   59    HB3  PRO   8          1HB       PRO   8   7.124   5.220  -1.157
   60    HG2  PRO   8          2HG       PRO   8   5.413   4.507  -3.505
   61    HG3  PRO   8          1HG       PRO   8   6.729   5.690  -3.400
   62    HD2  PRO   8          2HD       PRO   8   7.143   3.319  -4.523
   63    HD3  PRO   8          1HD       PRO   8   8.373   4.046  -3.472
   64    HA   PRO   9           HA       PRO   9   3.677   0.556   0.139
   65    HB2  PRO   9          2HB       PRO   9   3.447   0.832   2.833
   66    HB3  PRO   9          1HB       PRO   9   4.646  -0.207   2.061
   67    HG2  PRO   9          2HG       PRO   9   4.983   2.456   3.319
   68    HG3  PRO   9          1HG       PRO   9   6.126   1.113   3.205
   69    HD2  PRO   9          2HD       PRO   9   6.148   3.405   1.608
   70    HD3  PRO   9          1HD       PRO   9   6.983   1.883   1.251
   71    H    ARG  10           H        ARG  10   1.978   1.412  -0.701
   72    HA   ARG  10           HA       ARG  10   0.734   3.807   0.356
   73    HB2  ARG  10          2HB       ARG  10  -0.074   1.925  -1.871
   74    HB3  ARG  10          1HB       ARG  10  -0.918   3.405  -1.449
   75    HG2  ARG  10          2HG       ARG  10   1.916   3.219  -2.458
   76    HG3  ARG  10          1HG       ARG  10   0.507   3.710  -3.403
   77    HD2  ARG  10          2HD       ARG  10   1.632   5.118  -0.983
   78    HD3  ARG  10          1HD       ARG  10   1.735   5.667  -2.652
   79    HE   ARG  10           HE       ARG  10  -0.875   5.508  -2.397
   80   HH11  ARG  10          1HH1      ARG  10   1.478   6.905  -0.156
   81   HH12  ARG  10          2HH1      ARG  10   0.353   7.957   0.578
   82   HH21  ARG  10          1HH2      ARG  10  -2.411   6.998  -1.398
   83   HH22  ARG  10          2HH2      ARG  10  -1.890   7.999  -0.142
   84    H    CYS  11           H        CYS  11  -0.465   3.583   2.140
   85    HA   CYS  11           HA       CYS  11  -1.820   1.037   2.471
   86    HB2  CYS  11          2HB       CYS  11  -1.060   3.139   4.496
   87    HB3  CYS  11          1HB       CYS  11  -2.063   1.737   4.865
   88    H    PHE  12           H        PHE  12  -3.757   0.937   2.008
   89    HA   PHE  12           HA       PHE  12  -5.328   3.294   1.505
   90    HB2  PHE  12          2HB       PHE  12  -5.871   0.349   1.072
   91    HB3  PHE  12          1HB       PHE  12  -6.928   1.650   0.551
   92    HD1  PHE  12          1HD       PHE  12  -6.407   2.951  -1.398
   93    HD2  PHE  12          2HD       PHE  12  -3.717  -0.044  -0.034
   94    HE1  PHE  12          1HE       PHE  12  -5.209   3.057  -3.536
   95    HE2  PHE  12          2HE       PHE  12  -2.509   0.056  -2.166
   96    HZ   PHE  12           HZ       PHE  12  -3.252   1.606  -3.929
   97    HA   PRO  13           HA       PRO  13  -7.606   3.083   5.326
   98    HB2  PRO  13          2HB       PRO  13 -10.058   3.650   3.748
   99    HB3  PRO  13          1HB       PRO  13  -9.354   4.553   5.093
  100    HG2  PRO  13          2HG       PRO  13  -9.168   5.505   2.636
  101    HG3  PRO  13          1HG       PRO  13  -7.786   5.603   3.740
  102    HD2  PRO  13          2HD       PRO  13  -8.289   3.648   1.526
  103    HD3  PRO  13          1HD       PRO  13  -6.803   4.544   1.921
  104    H    ASP  14           H        ASP  14  -8.444   1.099   2.655
  105    HA   ASP  14           HA       ASP  14 -10.440  -0.404   4.077
  106    HB2  ASP  14          2HB       ASP  14 -10.568  -1.859   2.066
  107    HB3  ASP  14          1HB       ASP  14 -10.837  -0.166   1.708
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -7.192  -0.194   4.359
    2    HA2  GLY   1          2HA       GLY   1  -5.793  -1.131   6.030
    3    HA3  GLY   1          1HA       GLY   1  -6.956  -2.443   6.233
    4    H    ARG   2           H        ARG   2  -5.312  -1.049   3.468
    5    HA   ARG   2           HA       ARG   2  -4.342  -3.728   2.719
    6    HB2  ARG   2          2HB       ARG   2  -6.427  -3.013   1.534
    7    HB3  ARG   2          1HB       ARG   2  -5.541  -1.631   0.925
    8    HG2  ARG   2          2HG       ARG   2  -3.983  -3.213  -0.190
    9    HG3  ARG   2          1HG       ARG   2  -5.053  -4.524   0.322
   10    HD2  ARG   2          2HD       ARG   2  -5.733  -2.215  -1.482
   11    HD3  ARG   2          1HD       ARG   2  -5.638  -3.921  -1.916
   12    HE   ARG   2           HE       ARG   2  -7.599  -3.098   0.100
   13   HH11  ARG   2          1HH1      ARG   2  -6.984  -4.194  -3.223
   14   HH12  ARG   2          2HH1      ARG   2  -8.601  -4.590  -3.530
   15   HH21  ARG   2          1HH2      ARG   2  -9.785  -3.589  -0.334
   16   HH22  ARG   2          2HH2      ARG   2 -10.247  -4.235  -1.852
   17    H    CYS   3           H        CYS   3  -2.123  -3.519   2.475
   18    HA   CYS   3           HA       CYS   3  -1.147  -0.885   1.621
   19    HB2  CYS   3          2HB       CYS   3   0.240  -2.837   3.475
   20    HB3  CYS   3          1HB       CYS   3   0.891  -1.297   2.933
   21    H    THR   4           H        THR   4   0.402  -0.833   0.024
   22    HA   THR   4           HA       THR   4   0.596  -3.120  -1.626
   23    HB   THR   4           HB       THR   4   2.189  -1.706  -2.944
   24    HG1  THR   4          1HG       THR   4   3.183  -0.200  -1.922
   25   HG21  THR   4          1HG2      THR   4  -0.305  -0.245  -2.059
   26   HG22  THR   4          2HG2      THR   4  -0.242  -1.485  -3.307
   27   HG23  THR   4          3HG2      THR   4   0.590   0.052  -3.551
   28    H    LYS   5           H        LYS   5   2.388  -4.425  -1.978
   29    HA   LYS   5           HA       LYS   5   4.175  -4.654   0.291
   30    HB2  LYS   5          2HB       LYS   5   4.942  -6.724  -0.796
   31    HB3  LYS   5          1HB       LYS   5   3.195  -6.703  -0.605
   32    HG2  LYS   5          2HG       LYS   5   2.996  -6.025  -2.986
   33    HG3  LYS   5          1HG       LYS   5   4.743  -6.207  -3.151
   34    HD2  LYS   5          2HD       LYS   5   2.781  -8.367  -2.377
   35    HD3  LYS   5          1HD       LYS   5   3.530  -8.171  -3.959
   36    HE2  LYS   5          2HE       LYS   5   5.721  -8.558  -2.994
   37    HE3  LYS   5          1HE       LYS   5   5.011  -8.682  -1.385
   38    HZ1  LYS   5          1HZ       LYS   5   4.413 -10.503  -3.645
   39    HZ2  LYS   5          2HZ       LYS   5   3.825 -10.647  -2.070
   40    HZ3  LYS   5          3HZ       LYS   5   5.463 -10.854  -2.378
   41    H    SER   6           H        SER   6   4.103  -3.311  -2.797
   42    HA   SER   6           HA       SER   6   6.934  -3.169  -3.211
   43    HB2  SER   6          2HB       SER   6   6.142  -1.725  -5.124
   44    HB3  SER   6          1HB       SER   6   5.501  -3.372  -5.121
   45    HG   SER   6           HG       SER   6   4.169  -1.080  -4.093
   46    H    ILE   7           H        ILE   7   8.168  -1.368  -2.743
   47    HA   ILE   7           HA       ILE   7   6.983   0.569  -0.975
   48    HB   ILE   7           HB       ILE   7   9.284   1.500  -0.772
   49   HG12  ILE   7          2HG1      ILE   7  10.048  -0.768  -2.633
   50   HG13  ILE   7          1HG1      ILE   7  10.093   0.942  -3.038
   51   HG21  ILE   7          1HG2      ILE   7   8.543  -0.224   0.764
   52   HG22  ILE   7          2HG2      ILE   7  10.259  -0.425   0.409
   53   HG23  ILE   7          3HG2      ILE   7   9.071  -1.478  -0.359
   54   HD11  ILE   7          1HD1      ILE   7  11.811   1.286  -1.343
   55   HD12  ILE   7          2HD1      ILE   7  12.300   0.087  -2.546
   56   HD13  ILE   7          3HD1      ILE   7  11.758  -0.433  -0.951
   57    HA   PRO   8           HA       PRO   8   7.316   2.645  -0.294
   58    HB2  PRO   8          2HB       PRO   8   5.362   4.738  -0.697
   59    HB3  PRO   8          1HB       PRO   8   7.026   4.885  -0.142
   60    HG2  PRO   8          2HG       PRO   8   6.137   5.808  -2.567
   61    HG3  PRO   8          1HG       PRO   8   7.816   5.365  -2.225
   62    HD2  PRO   8          2HD       PRO   8   5.693   3.808  -3.634
   63    HD3  PRO   8          1HD       PRO   8   7.426   3.945  -4.000
   64    HA   PRO   9           HA       PRO   9   3.600   0.221   0.305
   65    HB2  PRO   9          2HB       PRO   9   3.728   1.149   3.111
   66    HB3  PRO   9          1HB       PRO   9   3.760  -0.498   2.478
   67    HG2  PRO   9          2HG       PRO   9   5.967   0.620   3.469
   68    HG3  PRO   9          1HG       PRO   9   6.034  -0.424   2.039
   69    HD2  PRO   9          2HD       PRO   9   6.106   2.565   2.193
   70    HD3  PRO   9          1HD       PRO   9   7.072   1.449   1.202
   71    H    ARG  10           H        ARG  10   1.947   1.181  -0.603
   72    HA   ARG  10           HA       ARG  10   0.772   3.603   0.488
   73    HB2  ARG  10          2HB       ARG  10   1.018   3.395  -1.950
   74    HB3  ARG  10          1HB       ARG  10   0.105   1.908  -1.927
   75    HG2  ARG  10          2HG       ARG  10  -1.218   3.762  -2.802
   76    HG3  ARG  10          1HG       ARG  10  -1.913   3.130  -1.318
   77    HD2  ARG  10          2HD       ARG  10  -0.055   5.464  -1.201
   78    HD3  ARG  10          1HD       ARG  10  -1.726   5.713  -1.713
   79    HE   ARG  10           HE       ARG  10  -2.201   4.486   0.507
   80   HH11  ARG  10          1HH1      ARG  10   0.423   6.851   0.050
   81   HH12  ARG  10          2HH1      ARG  10   0.345   7.419   1.638
   82   HH21  ARG  10          1HH2      ARG  10  -2.293   5.296   2.664
   83   HH22  ARG  10          2HH2      ARG  10  -1.235   6.530   3.164
   84    H    CYS  11           H        CYS  11  -0.383   3.210   2.228
   85    HA   CYS  11           HA       CYS  11  -1.988   0.815   2.353
   86    HB2  CYS  11          2HB       CYS  11  -1.370   2.921   4.433
   87    HB3  CYS  11          1HB       CYS  11  -2.390   1.511   4.705
   88    H    PHE  12           H        PHE  12  -3.927   0.807   1.771
   89    HA   PHE  12           HA       PHE  12  -5.375   3.264   1.244
   90    HB2  PHE  12          2HB       PHE  12  -6.102   0.375   0.663
   91    HB3  PHE  12          1HB       PHE  12  -6.958   1.791   0.080
   92    HD1  PHE  12          1HD       PHE  12  -4.062  -0.369  -0.376
   93    HD2  PHE  12          2HD       PHE  12  -5.976   3.206  -1.664
   94    HE1  PHE  12          1HE       PHE  12  -2.656  -0.349  -2.396
   95    HE2  PHE  12          2HE       PHE  12  -4.565   3.230  -3.681
   96    HZ   PHE  12           HZ       PHE  12  -2.907   1.451  -4.046
   97    HA   PRO  13           HA       PRO  13  -7.855   3.502   4.924
   98    HB2  PRO  13          2HB       PRO  13 -10.084   3.363   2.938
   99    HB3  PRO  13          1HB       PRO  13  -9.900   4.427   4.335
  100    HG2  PRO  13          2HG       PRO  13  -9.316   5.330   1.933
  101    HG3  PRO  13          1HG       PRO  13  -8.263   5.716   3.306
  102    HD2  PRO  13          2HD       PRO  13  -7.800   3.847   1.041
  103    HD3  PRO  13          1HD       PRO  13  -6.642   4.783   2.002
  104    H    ASP  14           H        ASP  14  -8.706   0.929   2.660
  105    HA   ASP  14           HA       ASP  14 -10.479  -0.356   4.523
  106    HB2  ASP  14          2HB       ASP  14 -10.670  -2.195   2.957
  107    HB3  ASP  14          1HB       ASP  14 -10.803  -0.677   2.094
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -7.681  -0.468   4.153
    2    HA2  GLY   1          2HA       GLY   1  -6.592  -2.042   5.461
    3    HA3  GLY   1          1HA       GLY   1  -7.812  -3.231   4.996
    4    H    ARG   2           H        ARG   2  -5.159  -1.353   3.687
    5    HA   ARG   2           HA       ARG   2  -4.108  -3.633   2.367
    6    HB2  ARG   2          2HB       ARG   2  -5.856  -3.231   0.819
    7    HB3  ARG   2          1HB       ARG   2  -5.536  -1.511   0.794
    8    HG2  ARG   2          2HG       ARG   2  -3.491  -1.884  -0.434
    9    HG3  ARG   2          1HG       ARG   2  -3.707  -3.633  -0.301
   10    HD2  ARG   2          2HD       ARG   2  -4.440  -2.581  -2.489
   11    HD3  ARG   2          1HD       ARG   2  -5.618  -3.612  -1.681
   12    HE   ARG   2           HE       ARG   2  -6.679  -1.563  -0.845
   13   HH11  ARG   2          1HH1      ARG   2  -4.611  -1.238  -3.717
   14   HH12  ARG   2          2HH1      ARG   2  -5.414   0.122  -4.317
   15   HH21  ARG   2          1HH2      ARG   2  -7.737   0.267  -1.605
   16   HH22  ARG   2          2HH2      ARG   2  -7.328   1.013  -3.089
   17    H    CYS   3           H        CYS   3  -2.041  -3.350   2.636
   18    HA   CYS   3           HA       CYS   3  -0.892  -0.706   2.136
   19    HB2  CYS   3          2HB       CYS   3   0.091  -2.877   4.014
   20    HB3  CYS   3          1HB       CYS   3   0.985  -1.413   3.623
   21    H    THR   4           H        THR   4   0.648  -0.667   0.579
   22    HA   THR   4           HA       THR   4   0.798  -2.930  -1.087
   23    HB   THR   4           HB       THR   4   2.481  -1.534  -2.354
   24    HG1  THR   4          1HG       THR   4   3.294   0.081  -1.393
   25   HG21  THR   4          1HG2      THR   4   0.081  -1.436  -2.881
   26   HG22  THR   4          2HG2      THR   4   0.830   0.150  -3.067
   27   HG23  THR   4          3HG2      THR   4  -0.141  -0.204  -1.639
   28    H    LYS   5           H        LYS   5   2.282  -4.458  -1.276
   29    HA   LYS   5           HA       LYS   5   4.325  -4.741   0.744
   30    HB2  LYS   5          2HB       LYS   5   2.949  -6.668  -0.037
   31    HB3  LYS   5          1HB       LYS   5   3.616  -6.471  -1.644
   32    HG2  LYS   5          2HG       LYS   5   5.764  -7.188  -0.906
   33    HG3  LYS   5          1HG       LYS   5   5.253  -7.124   0.784
   34    HD2  LYS   5          2HD       LYS   5   3.656  -8.913   0.410
   35    HD3  LYS   5          1HD       LYS   5   4.056  -8.944  -1.306
   36    HE2  LYS   5          2HE       LYS   5   6.014  -9.517   0.915
   37    HE3  LYS   5          1HE       LYS   5   5.128 -10.755   0.027
   38    HZ1  LYS   5          1HZ       LYS   5   6.186 -10.029  -1.996
   39    HZ2  LYS   5          2HZ       LYS   5   7.377 -10.389  -0.851
   40    HZ3  LYS   5          3HZ       LYS   5   6.994  -8.798  -1.194
   41    H    SER   6           H        SER   6   3.950  -3.680  -2.468
   42    HA   SER   6           HA       SER   6   6.759  -3.618  -3.102
   43    HB2  SER   6          2HB       SER   6   5.844  -2.447  -5.142
   44    HB3  SER   6          1HB       SER   6   5.211  -4.075  -4.891
   45    HG   SER   6           HG       SER   6   3.949  -1.593  -4.620
   46    H    ILE   7           H        ILE   7   7.898  -1.573  -3.339
   47    HA   ILE   7           HA       ILE   7   6.700   0.509  -1.704
   48    HB   ILE   7           HB       ILE   7   8.968   1.565  -1.641
   49   HG12  ILE   7          2HG1      ILE   7   9.902  -0.963  -3.019
   50   HG13  ILE   7          1HG1      ILE   7   9.838   0.624  -3.782
   51   HG21  ILE   7          1HG2      ILE   7   8.290   0.108   0.156
   52   HG22  ILE   7          2HG2      ILE   7  10.016  -0.088  -0.152
   53   HG23  ILE   7          3HG2      ILE   7   8.873  -1.301  -0.728
   54   HD11  ILE   7          1HD1      ILE   7  11.557  -0.167  -1.434
   55   HD12  ILE   7          2HD1      ILE   7  11.506   1.433  -2.176
   56   HD13  ILE   7          3HD1      ILE   7  12.099   0.052  -3.099
   57    HA   PRO   8           HA       PRO   8   7.306   3.089  -1.564
   58    HB2  PRO   8          2HB       PRO   8   5.170   4.758  -1.775
   59    HB3  PRO   8          1HB       PRO   8   6.749   5.116  -2.481
   60    HG2  PRO   8          2HG       PRO   8   4.319   3.955  -3.791
   61    HG3  PRO   8          1HG       PRO   8   5.384   5.253  -4.364
   62    HD2  PRO   8          2HD       PRO   8   5.609   2.749  -5.277
   63    HD3  PRO   8          1HD       PRO   8   7.037   3.774  -5.024
   64    HA   PRO   9           HA       PRO   9   4.133   0.662   0.556
   65    HB2  PRO   9          2HB       PRO   9   4.786   2.031   3.017
   66    HB3  PRO   9          1HB       PRO   9   5.169   0.373   2.563
   67    HG2  PRO   9          2HG       PRO   9   7.038   2.352   2.852
   68    HG3  PRO   9          1HG       PRO   9   7.243   0.924   1.827
   69    HD2  PRO   9          2HD       PRO   9   6.553   3.724   1.068
   70    HD3  PRO   9          1HD       PRO   9   7.562   2.519   0.236
   71    H    ARG  10           H        ARG  10   2.128   1.319   0.175
   72    HA   ARG  10           HA       ARG  10   1.243   3.833   1.417
   73    HB2  ARG  10          2HB       ARG  10   0.241   2.575  -1.140
   74    HB3  ARG  10          1HB       ARG  10  -0.347   4.069  -0.428
   75    HG2  ARG  10          2HG       ARG  10   1.854   5.091  -0.760
   76    HG3  ARG  10          1HG       ARG  10   2.431   3.593  -1.489
   77    HD2  ARG  10          2HD       ARG  10   1.831   5.187  -3.210
   78    HD3  ARG  10          1HD       ARG  10   0.726   3.812  -3.231
   79    HE   ARG  10           HE       ARG  10  -0.462   5.656  -1.611
   80   HH11  ARG  10          1HH1      ARG  10   0.573   5.600  -4.966
   81   HH12  ARG  10          2HH1      ARG  10  -0.579   6.732  -5.498
   82   HH21  ARG  10          1HH2      ARG  10  -2.003   7.160  -2.280
   83   HH22  ARG  10          2HH2      ARG  10  -2.127   7.647  -3.919
   84    H    CYS  11           H        CYS  11  -0.559   3.688   2.660
   85    HA   CYS  11           HA       CYS  11  -1.877   1.084   2.753
   86    HB2  CYS  11          2HB       CYS  11  -1.269   2.963   5.038
   87    HB3  CYS  11          1HB       CYS  11  -2.339   1.571   5.165
   88    H    PHE  12           H        PHE  12  -3.933   1.063   2.490
   89    HA   PHE  12           HA       PHE  12  -5.316   3.636   2.239
   90    HB2  PHE  12          2HB       PHE  12  -5.903   1.000   0.873
   91    HB3  PHE  12          1HB       PHE  12  -6.713   2.530   0.567
   92    HD1  PHE  12          1HD       PHE  12  -3.990   0.409  -0.322
   93    HD2  PHE  12          2HD       PHE  12  -5.289   4.458  -0.347
   94    HE1  PHE  12          1HE       PHE  12  -2.317   0.935  -2.045
   95    HE2  PHE  12          2HE       PHE  12  -3.630   4.982  -2.076
   96    HZ   PHE  12           HZ       PHE  12  -2.142   3.227  -2.926
   97    HA   PRO  13           HA       PRO  13  -8.037   2.582   5.562
   98    HB2  PRO  13          2HB       PRO  13 -10.451   3.501   4.641
   99    HB3  PRO  13          1HB       PRO  13  -9.176   4.546   5.271
  100    HG2  PRO  13          2HG       PRO  13  -9.842   3.877   2.431
  101    HG3  PRO  13          1HG       PRO  13  -9.442   5.451   3.143
  102    HD2  PRO  13          2HD       PRO  13  -7.625   4.064   1.765
  103    HD3  PRO  13          1HD       PRO  13  -7.169   4.977   3.216
  104    H    ASP  14           H        ASP  14  -8.589   1.210   2.482
  105    HA   ASP  14           HA       ASP  14 -10.773  -0.479   3.312
  106    HB2  ASP  14          2HB       ASP  14 -10.582  -1.577   1.106
  107    HB3  ASP  14          1HB       ASP  14 -10.676   0.165   0.946
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.255  -0.386   4.335
    2    HA2  GLY   1          2HA       GLY   1  -5.948  -1.515   6.031
    3    HA3  GLY   1          1HA       GLY   1  -7.093  -2.836   5.940
    4    H    ARG   2           H        ARG   2  -5.419  -1.112   3.308
    5    HA   ARG   2           HA       ARG   2  -4.078  -3.662   2.664
    6    HB2  ARG   2          2HB       ARG   2  -5.296  -1.835   0.587
    7    HB3  ARG   2          1HB       ARG   2  -4.445  -3.338   0.291
    8    HG2  ARG   2          2HG       ARG   2  -6.216  -4.524   1.510
    9    HG3  ARG   2          1HG       ARG   2  -7.088  -2.999   1.657
   10    HD2  ARG   2          2HD       ARG   2  -7.048  -2.824  -0.834
   11    HD3  ARG   2          1HD       ARG   2  -6.364  -4.453  -0.870
   12    HE   ARG   2           HE       ARG   2  -8.870  -3.898   0.490
   13   HH11  ARG   2          1HH1      ARG   2  -7.165  -5.570  -2.126
   14   HH12  ARG   2          2HH1      ARG   2  -8.434  -6.634  -2.496
   15   HH21  ARG   2          1HH2      ARG   2 -10.635  -5.387  -0.002
   16   HH22  ARG   2          2HH2      ARG   2 -10.472  -6.532  -1.248
   17    H    CYS   3           H        CYS   3  -1.968  -3.293   2.774
   18    HA   CYS   3           HA       CYS   3  -1.004  -0.706   1.801
   19    HB2  CYS   3          2HB       CYS   3   0.319  -2.658   3.706
   20    HB3  CYS   3          1HB       CYS   3   1.034  -1.153   3.135
   21    H    THR   4           H        THR   4   0.574  -0.670   0.250
   22    HA   THR   4           HA       THR   4   0.592  -2.882  -1.480
   23    HB   THR   4           HB       THR   4   2.285  -1.548  -2.762
   24    HG1  THR   4          1HG       THR   4   3.361  -0.327  -1.408
   25   HG21  THR   4          1HG2      THR   4   0.744   0.285  -3.343
   26   HG22  THR   4          2HG2      THR   4  -0.185  -0.040  -1.881
   27   HG23  THR   4          3HG2      THR   4  -0.118  -1.244  -3.169
   28    H    LYS   5           H        LYS   5   2.094  -4.371  -1.897
   29    HA   LYS   5           HA       LYS   5   3.995  -5.040   0.117
   30    HB2  LYS   5          2HB       LYS   5   3.660  -6.148  -2.678
   31    HB3  LYS   5          1HB       LYS   5   4.590  -6.885  -1.387
   32    HG2  LYS   5          2HG       LYS   5   1.600  -6.499  -1.454
   33    HG3  LYS   5          1HG       LYS   5   2.471  -8.020  -1.654
   34    HD2  LYS   5          2HD       LYS   5   3.331  -7.808   0.646
   35    HD3  LYS   5          1HD       LYS   5   2.430  -6.304   0.831
   36    HE2  LYS   5          2HE       LYS   5   0.337  -7.537   0.411
   37    HE3  LYS   5          1HE       LYS   5   1.277  -9.025   0.292
   38    HZ1  LYS   5          1HZ       LYS   5   1.980  -8.720   2.572
   39    HZ2  LYS   5          2HZ       LYS   5   0.307  -8.782   2.472
   40    HZ3  LYS   5          3HZ       LYS   5   1.077  -7.306   2.694
   41    H    SER   6           H        SER   6   3.971  -3.410  -2.922
   42    HA   SER   6           HA       SER   6   6.800  -3.286  -3.256
   43    HB2  SER   6          2HB       SER   6   6.096  -1.725  -5.089
   44    HB3  SER   6          1HB       SER   6   5.383  -3.338  -5.193
   45    HG   SER   6           HG       SER   6   3.936  -1.495  -5.487
   46    H    ILE   7           H        ILE   7   8.040  -1.409  -2.977
   47    HA   ILE   7           HA       ILE   7   6.966   0.496  -1.082
   48    HB   ILE   7           HB       ILE   7   9.277   1.415  -0.985
   49   HG12  ILE   7          2HG1      ILE   7   9.974  -0.843  -2.890
   50   HG13  ILE   7          1HG1      ILE   7   9.951   0.858  -3.307
   51   HG21  ILE   7          1HG2      ILE   7   8.632  -0.304   0.579
   52   HG22  ILE   7          2HG2      ILE   7  10.320  -0.529   0.115
   53   HG23  ILE   7          3HG2      ILE   7   9.070  -1.559  -0.579
   54   HD11  ILE   7          1HD1      ILE   7  11.776  -0.443  -1.299
   55   HD12  ILE   7          2HD1      ILE   7  11.770   1.265  -1.734
   56   HD13  ILE   7          3HD1      ILE   7  12.215   0.051  -2.935
   57    HA   PRO   8           HA       PRO   8   7.450   2.657  -0.453
   58    HB2  PRO   8          2HB       PRO   8   5.675   4.695  -0.330
   59    HB3  PRO   8          1HB       PRO   8   7.354   4.929  -0.832
   60    HG2  PRO   8          2HG       PRO   8   4.889   4.692  -2.507
   61    HG3  PRO   8          1HG       PRO   8   6.263   5.793  -2.690
   62    HD2  PRO   8          2HD       PRO   8   5.960   3.521  -4.164
   63    HD3  PRO   8          1HD       PRO   8   7.539   4.221  -3.766
   64    HA   PRO   9           HA       PRO   9   3.764   0.274   0.464
   65    HB2  PRO   9          2HB       PRO   9   4.105   1.023   3.281
   66    HB3  PRO   9          1HB       PRO   9   4.215  -0.573   2.540
   67    HG2  PRO   9          2HG       PRO   9   6.383   0.711   3.477
   68    HG3  PRO   9          1HG       PRO   9   6.456  -0.344   2.054
   69    HD2  PRO   9          2HD       PRO   9   6.340   2.650   2.187
   70    HD3  PRO   9          1HD       PRO   9   7.325   1.590   1.149
   71    H    ARG  10           H        ARG  10   2.199   1.467  -0.376
   72    HA   ARG  10           HA       ARG  10   1.148   3.776   1.074
   73    HB2  ARG  10          2HB       ARG  10   0.599   2.666  -1.685
   74    HB3  ARG  10          1HB       ARG  10  -0.216   4.070  -1.002
   75    HG2  ARG  10          2HG       ARG  10   1.814   5.321  -0.942
   76    HG3  ARG  10          1HG       ARG  10   2.767   3.894  -1.349
   77    HD2  ARG  10          2HD       ARG  10   0.670   5.095  -3.137
   78    HD3  ARG  10          1HD       ARG  10   2.391   5.471  -3.252
   79    HE   ARG  10           HE       ARG  10   2.559   2.907  -3.503
   80   HH11  ARG  10          1HH1      ARG  10   0.002   4.932  -4.914
   81   HH12  ARG  10          2HH1      ARG  10  -0.240   3.887  -6.234
   82   HH21  ARG  10          1HH2      ARG  10   2.256   1.567  -5.346
   83   HH22  ARG  10          2HH2      ARG  10   1.058   1.970  -6.509
   84    H    CYS  11           H        CYS  11  -0.851   3.677   2.043
   85    HA   CYS  11           HA       CYS  11  -2.024   1.015   1.993
   86    HB2  CYS  11          2HB       CYS  11  -1.900   2.929   4.316
   87    HB3  CYS  11          1HB       CYS  11  -2.636   1.331   4.312
   88    H    PHE  12           H        PHE  12  -4.007   0.790   1.638
   89    HA   PHE  12           HA       PHE  12  -5.702   3.044   0.980
   90    HB2  PHE  12          2HB       PHE  12  -6.142   0.047   0.738
   91    HB3  PHE  12          1HB       PHE  12  -7.215   1.286   0.108
   92    HD1  PHE  12          1HD       PHE  12  -3.862  -0.255  -0.280
   93    HD2  PHE  12          2HD       PHE  12  -6.790   2.331  -1.981
   94    HE1  PHE  12          1HE       PHE  12  -2.620  -0.254  -2.403
   95    HE2  PHE  12          2HE       PHE  12  -5.549   2.334  -4.102
   96    HZ   PHE  12           HZ       PHE  12  -3.463   1.043  -4.317
   97    HA   PRO  13           HA       PRO  13  -7.566   3.175   4.961
   98    HB2  PRO  13          2HB       PRO  13 -10.078   3.990   4.338
   99    HB3  PRO  13          1HB       PRO  13  -8.661   5.047   4.288
  100    HG2  PRO  13          2HG       PRO  13  -9.982   3.549   2.053
  101    HG3  PRO  13          1HG       PRO  13  -9.459   5.243   2.091
  102    HD2  PRO  13          2HD       PRO  13  -7.959   3.392   0.907
  103    HD3  PRO  13          1HD       PRO  13  -7.206   4.676   1.879
  104    H    ASP  14           H        ASP  14  -8.455   0.668   2.943
  105    HA   ASP  14           HA       ASP  14 -10.500  -0.265   4.825
  106    HB2  ASP  14          2HB       ASP  14 -11.132  -1.907   3.203
  107    HB3  ASP  14          1HB       ASP  14 -10.968  -0.378   2.354
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -7.454  -0.193   4.242
    2    HA2  GLY   1          2HA       GLY   1  -6.278  -1.020   6.100
    3    HA3  GLY   1          1HA       GLY   1  -7.471  -2.308   6.247
    4    H    ARG   2           H        ARG   2  -5.226  -1.091   3.783
    5    HA   ARG   2           HA       ARG   2  -3.911  -3.644   3.757
    6    HB2  ARG   2          2HB       ARG   2  -4.157  -4.078   1.391
    7    HB3  ARG   2          1HB       ARG   2  -5.754  -3.992   2.109
    8    HG2  ARG   2          2HG       ARG   2  -6.042  -1.743   1.205
    9    HG3  ARG   2          1HG       ARG   2  -4.409  -1.802   0.536
   10    HD2  ARG   2          2HD       ARG   2  -5.994  -2.300  -1.216
   11    HD3  ARG   2          1HD       ARG   2  -5.088  -3.761  -0.816
   12    HE   ARG   2           HE       ARG   2  -7.653  -3.294   0.463
   13   HH11  ARG   2          1HH1      ARG   2  -5.746  -5.214  -1.836
   14   HH12  ARG   2          2HH1      ARG   2  -6.942  -6.394  -2.079
   15   HH21  ARG   2          1HH2      ARG   2  -9.300  -4.915   0.108
   16   HH22  ARG   2          2HH2      ARG   2  -9.004  -6.231  -0.937
   17    H    CYS   3           H        CYS   3  -1.836  -3.489   2.911
   18    HA   CYS   3           HA       CYS   3  -1.064  -0.904   1.780
   19    HB2  CYS   3          2HB       CYS   3   0.550  -2.540   3.765
   20    HB3  CYS   3          1HB       CYS   3   1.085  -1.055   2.990
   21    H    THR   4           H        THR   4   0.091  -1.090  -0.065
   22    HA   THR   4           HA       THR   4   0.277  -3.656  -1.258
   23    HB   THR   4           HB       THR   4   1.326  -2.422  -3.143
   24    HG1  THR   4          1HG       THR   4   2.355  -0.745  -2.540
   25   HG21  THR   4          1HG2      THR   4  -1.121  -2.555  -3.007
   26   HG22  THR   4          2HG2      THR   4  -0.622  -1.003  -3.683
   27   HG23  THR   4          3HG2      THR   4  -1.146  -1.107  -2.002
   28    H    LYS   5           H        LYS   5   2.119  -4.836  -1.758
   29    HA   LYS   5           HA       LYS   5   4.400  -4.213  -0.130
   30    HB2  LYS   5          2HB       LYS   5   3.815  -6.624  -1.860
   31    HB3  LYS   5          1HB       LYS   5   5.242  -6.425  -0.849
   32    HG2  LYS   5          2HG       LYS   5   3.817  -6.283   1.128
   33    HG3  LYS   5          1HG       LYS   5   2.401  -6.527   0.108
   34    HD2  LYS   5          2HD       LYS   5   3.195  -8.713  -0.532
   35    HD3  LYS   5          1HD       LYS   5   4.687  -8.468   0.382
   36    HE2  LYS   5          2HE       LYS   5   1.898  -8.550   1.520
   37    HE3  LYS   5          1HE       LYS   5   3.086  -9.846   1.620
   38    HZ1  LYS   5          1HZ       LYS   5   3.088  -8.592   3.666
   39    HZ2  LYS   5          2HZ       LYS   5   3.292  -7.145   2.843
   40    HZ3  LYS   5          3HZ       LYS   5   4.537  -8.254   2.866
   41    H    SER   6           H        SER   6   4.904  -2.398  -1.194
   42    HA   SER   6           HA       SER   6   6.651  -2.754  -3.455
   43    HB2  SER   6          2HB       SER   6   5.539  -0.769  -4.539
   44    HB3  SER   6          1HB       SER   6   4.551  -2.231  -4.534
   45    HG   SER   6           HG       SER   6   4.177   0.180  -3.259
   46    H    ILE   7           H        ILE   7   7.805  -0.530  -3.711
   47    HA   ILE   7           HA       ILE   7   7.872   0.820  -1.125
   48    HB   ILE   7           HB       ILE   7  10.138   0.475  -3.124
   49   HG12  ILE   7          2HG1      ILE   7   9.746  -1.521  -1.741
   50   HG13  ILE   7          1HG1      ILE   7  11.287  -0.771  -1.340
   51   HG21  ILE   7          1HG2      ILE   7  10.152   2.022  -0.532
   52   HG22  ILE   7          2HG2      ILE   7  10.257   2.700  -2.157
   53   HG23  ILE   7          3HG2      ILE   7  11.567   1.694  -1.535
   54   HD11  ILE   7          1HD1      ILE   7   8.725  -0.585   0.243
   55   HD12  ILE   7          2HD1      ILE   7  10.234   0.229   0.651
   56   HD13  ILE   7          3HD1      ILE   7  10.154  -1.532   0.657
   57    HA   PRO   8           HA       PRO   8   7.509   2.487  -0.203
   58    HB2  PRO   8          2HB       PRO   8   5.667   4.363   0.280
   59    HB3  PRO   8          1HB       PRO   8   7.341   4.787  -0.108
   60    HG2  PRO   8          2HG       PRO   8   4.942   4.764  -1.901
   61    HG3  PRO   8          1HG       PRO   8   6.196   6.007  -1.735
   62    HD2  PRO   8          2HD       PRO   8   6.188   4.130  -3.718
   63    HD3  PRO   8          1HD       PRO   8   7.668   4.868  -3.078
   64    HA   PRO   9           HA       PRO   9   3.801  -0.062   0.021
   65    HB2  PRO   9          2HB       PRO   9   3.546   0.598   2.873
   66    HB3  PRO   9          1HB       PRO   9   3.917  -0.957   2.127
   67    HG2  PRO   9          2HG       PRO   9   5.764   0.437   3.504
   68    HG3  PRO   9          1HG       PRO   9   6.188  -0.550   2.093
   69    HD2  PRO   9          2HD       PRO   9   5.814   2.417   2.286
   70    HD3  PRO   9          1HD       PRO   9   7.062   1.479   1.433
   71    H    ARG  10           H        ARG  10   1.998   0.720  -0.828
   72    HA   ARG  10           HA       ARG  10   0.899   3.256   0.029
   73    HB2  ARG  10          2HB       ARG  10   0.090   1.316  -2.139
   74    HB3  ARG  10          1HB       ARG  10  -0.610   2.909  -1.893
   75    HG2  ARG  10          2HG       ARG  10   1.400   3.995  -2.515
   76    HG3  ARG  10          1HG       ARG  10   2.317   2.493  -2.416
   77    HD2  ARG  10          2HD       ARG  10   1.875   3.120  -4.734
   78    HD3  ARG  10          1HD       ARG  10   1.096   1.602  -4.301
   79    HE   ARG  10           HE       ARG  10  -0.507   4.003  -4.116
   80   HH11  ARG  10          1HH1      ARG  10   0.365   1.134  -5.999
   81   HH12  ARG  10          2HH1      ARG  10  -0.984   1.223  -7.032
   82   HH21  ARG  10          1HH2      ARG  10  -2.393   4.124  -5.558
   83   HH22  ARG  10          2HH2      ARG  10  -2.598   2.944  -6.756
   84    H    CYS  11           H        CYS  11  -0.341   3.165   1.776
   85    HA   CYS  11           HA       CYS  11  -1.964   0.812   2.272
   86    HB2  CYS  11          2HB       CYS  11  -1.350   3.189   4.034
   87    HB3  CYS  11          1HB       CYS  11  -2.260   1.760   4.516
   88    H    PHE  12           H        PHE  12  -4.075   0.809   2.170
   89    HA   PHE  12           HA       PHE  12  -5.414   3.308   1.407
   90    HB2  PHE  12          2HB       PHE  12  -6.065   0.466   0.581
   91    HB3  PHE  12          1HB       PHE  12  -7.031   1.874   0.160
   92    HD1  PHE  12          1HD       PHE  12  -4.175  -0.138  -0.686
   93    HD2  PHE  12          2HD       PHE  12  -5.988   3.665  -1.278
   94    HE1  PHE  12          1HE       PHE  12  -2.778   0.216  -2.672
   95    HE2  PHE  12          2HE       PHE  12  -4.587   4.019  -3.266
   96    HZ   PHE  12           HZ       PHE  12  -2.983   2.292  -3.965
   97    HA   PRO  13           HA       PRO  13  -7.923   3.411   4.998
   98    HB2  PRO  13          2HB       PRO  13 -10.439   3.695   3.794
   99    HB3  PRO  13          1HB       PRO  13  -9.354   4.993   4.285
  100    HG2  PRO  13          2HG       PRO  13  -9.744   3.758   1.603
  101    HG3  PRO  13          1HG       PRO  13  -9.375   5.436   2.026
  102    HD2  PRO  13          2HD       PRO  13  -7.501   3.849   1.020
  103    HD3  PRO  13          1HD       PRO  13  -7.110   4.992   2.323
  104    H    ASP  14           H        ASP  14  -8.819   1.031   2.607
  105    HA   ASP  14           HA       ASP  14 -10.793  -0.246   4.263
  106    HB2  ASP  14          2HB       ASP  14 -10.771  -2.086   2.635
  107    HB3  ASP  14          1HB       ASP  14 -10.907  -0.535   1.825
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -7.358  -0.270   4.478
    2    HA2  GLY   1          2HA       GLY   1  -5.987  -1.437   5.936
    3    HA3  GLY   1          1HA       GLY   1  -7.062  -2.825   5.795
    4    H    ARG   2           H        ARG   2  -5.553  -1.062   3.210
    5    HA   ARG   2           HA       ARG   2  -4.210  -3.565   2.379
    6    HB2  ARG   2          2HB       ARG   2  -6.114  -2.629   1.000
    7    HB3  ARG   2          1HB       ARG   2  -5.063  -1.273   0.650
    8    HG2  ARG   2          2HG       ARG   2  -3.406  -3.032  -0.196
    9    HG3  ARG   2          1HG       ARG   2  -4.790  -4.125  -0.200
   10    HD2  ARG   2          2HD       ARG   2  -4.271  -1.697  -1.859
   11    HD3  ARG   2          1HD       ARG   2  -4.873  -3.276  -2.352
   12    HE   ARG   2           HE       ARG   2  -6.778  -2.048  -0.682
   13   HH11  ARG   2          1HH1      ARG   2  -5.568  -1.902  -4.025
   14   HH12  ARG   2          2HH1      ARG   2  -6.818  -0.874  -4.540
   15   HH21  ARG   2          1HH2      ARG   2  -8.403  -0.630  -1.398
   16   HH22  ARG   2          2HH2      ARG   2  -8.504  -0.173  -3.055
   17    H    CYS   3           H        CYS   3  -2.045  -3.273   2.814
   18    HA   CYS   3           HA       CYS   3  -0.916  -0.693   2.028
   19    HB2  CYS   3          2HB       CYS   3   0.153  -2.718   4.016
   20    HB3  CYS   3          1HB       CYS   3   0.971  -1.233   3.541
   21    H    THR   4           H        THR   4   0.557  -0.727   0.435
   22    HA   THR   4           HA       THR   4   0.653  -3.035  -1.163
   23    HB   THR   4           HB       THR   4   2.223  -1.661  -2.578
   24    HG1  THR   4          1HG       THR   4   3.205  -0.185  -1.549
   25   HG21  THR   4          1HG2      THR   4  -0.213  -1.572  -2.917
   26   HG22  THR   4          2HG2      THR   4   0.526   0.003  -3.209
   27   HG23  THR   4          3HG2      THR   4  -0.324  -0.307  -1.693
   28    H    LYS   5           H        LYS   5   2.143  -4.556  -1.427
   29    HA   LYS   5           HA       LYS   5   4.352  -4.713   0.383
   30    HB2  LYS   5          2HB       LYS   5   4.887  -6.836  -0.794
   31    HB3  LYS   5          1HB       LYS   5   3.222  -6.777  -0.247
   32    HG2  LYS   5          2HG       LYS   5   2.520  -6.215  -2.551
   33    HG3  LYS   5          1HG       LYS   5   4.201  -6.355  -3.064
   34    HD2  LYS   5          2HD       LYS   5   4.235  -8.693  -2.346
   35    HD3  LYS   5          1HD       LYS   5   2.566  -8.551  -1.800
   36    HE2  LYS   5          2HE       LYS   5   2.663  -9.646  -3.967
   37    HE3  LYS   5          1HE       LYS   5   1.854  -8.089  -4.100
   38    HZ1  LYS   5          1HZ       LYS   5   3.926  -7.156  -5.011
   39    HZ2  LYS   5          2HZ       LYS   5   3.428  -8.502  -5.909
   40    HZ3  LYS   5          3HZ       LYS   5   4.674  -8.654  -4.844
   41    H    SER   6           H        SER   6   3.751  -3.561  -2.767
   42    HA   SER   6           HA       SER   6   6.484  -3.317  -3.539
   43    HB2  SER   6          2HB       SER   6   5.494  -1.859  -5.360
   44    HB3  SER   6          1HB       SER   6   4.853  -3.499  -5.312
   45    HG   SER   6           HG       SER   6   3.642  -1.087  -4.455
   46    H    ILE   7           H        ILE   7   7.720  -1.511  -3.396
   47    HA   ILE   7           HA       ILE   7   6.885   0.354  -1.340
   48    HB   ILE   7           HB       ILE   7   9.272   1.068  -1.335
   49   HG12  ILE   7          2HG1      ILE   7   9.662  -1.197  -3.319
   50   HG13  ILE   7          1HG1      ILE   7   9.748   0.512  -3.726
   51   HG21  ILE   7          1HG2      ILE   7  10.164  -1.012  -0.349
   52   HG22  ILE   7          2HG2      ILE   7   8.785  -1.891  -1.009
   53   HG23  ILE   7          3HG2      ILE   7   8.531  -0.640   0.206
   54   HD11  ILE   7          1HD1      ILE   7  11.683   0.744  -2.248
   55   HD12  ILE   7          2HD1      ILE   7  11.950  -0.466  -3.503
   56   HD13  ILE   7          3HD1      ILE   7  11.574  -0.971  -1.855
   57    HA   PRO   8           HA       PRO   8   7.565   2.391  -0.641
   58    HB2  PRO   8          2HB       PRO   8   5.774   4.693  -0.848
   59    HB3  PRO   8          1HB       PRO   8   7.465   4.653  -0.343
   60    HG2  PRO   8          2HG       PRO   8   6.688   5.776  -2.678
   61    HG3  PRO   8          1HG       PRO   8   8.254   4.976  -2.484
   62    HD2  PRO   8          2HD       PRO   8   5.725   3.901  -3.691
   63    HD3  PRO   8          1HD       PRO   8   7.392   3.795  -4.298
   64    HA   PRO   9           HA       PRO   9   3.756   0.429   0.492
   65    HB2  PRO   9          2HB       PRO   9   3.993   1.446   3.226
   66    HB3  PRO   9          1HB       PRO   9   4.133  -0.213   2.639
   67    HG2  PRO   9          2HG       PRO   9   6.264   1.165   3.540
   68    HG3  PRO   9          1HG       PRO   9   6.391  -0.016   2.225
   69    HD2  PRO   9          2HD       PRO   9   6.243   2.970   2.075
   70    HD3  PRO   9          1HD       PRO   9   7.294   1.839   1.192
   71    H    ARG  10           H        ARG  10   1.985   1.264  -0.244
   72    HA   ARG  10           HA       ARG  10   0.898   3.729   0.886
   73    HB2  ARG  10          2HB       ARG  10   0.349   2.175  -1.627
   74    HB3  ARG  10          1HB       ARG  10  -0.808   3.348  -1.018
   75    HG2  ARG  10          2HG       ARG  10   2.060   4.000  -1.619
   76    HG3  ARG  10          1HG       ARG  10   0.740   4.202  -2.777
   77    HD2  ARG  10          2HD       ARG  10  -0.399   5.709  -1.236
   78    HD3  ARG  10          1HD       ARG  10   0.871   5.481  -0.047
   79    HE   ARG  10           HE       ARG  10   2.373   6.544  -1.560
   80   HH11  ARG  10          1HH1      ARG  10  -1.064   6.967  -2.343
   81   HH12  ARG  10          2HH1      ARG  10  -0.868   8.501  -3.021
   82   HH21  ARG  10          1HH2      ARG  10   2.643   8.689  -2.481
   83   HH22  ARG  10          2HH2      ARG  10   1.300   9.516  -3.101
   84    H    CYS  11           H        CYS  11  -0.570   3.544   2.430
   85    HA   CYS  11           HA       CYS  11  -2.008   1.034   2.580
   86    HB2  CYS  11          2HB       CYS  11  -1.491   3.103   4.729
   87    HB3  CYS  11          1HB       CYS  11  -2.492   1.673   4.935
   88    H    PHE  12           H        PHE  12  -3.933   1.005   2.017
   89    HA   PHE  12           HA       PHE  12  -5.422   3.464   1.514
   90    HB2  PHE  12          2HB       PHE  12  -5.987   0.591   0.717
   91    HB3  PHE  12          1HB       PHE  12  -6.893   1.997   0.189
   92    HD1  PHE  12          1HD       PHE  12  -3.712   0.175  -0.135
   93    HD2  PHE  12          2HD       PHE  12  -6.069   3.421  -1.550
   94    HE1  PHE  12          1HE       PHE  12  -2.227   0.404  -2.071
   95    HE2  PHE  12          2HE       PHE  12  -4.583   3.655  -3.476
   96    HZ   PHE  12           HZ       PHE  12  -2.653   2.143  -3.739
   97    HA   PRO  13           HA       PRO  13  -7.981   2.959   5.099
   98    HB2  PRO  13          2HB       PRO  13 -10.453   3.651   4.115
   99    HB3  PRO  13          1HB       PRO  13  -9.186   4.804   4.542
  100    HG2  PRO  13          2HG       PRO  13  -9.890   3.682   1.863
  101    HG3  PRO  13          1HG       PRO  13  -9.518   5.360   2.305
  102    HD2  PRO  13          2HD       PRO  13  -7.701   3.820   1.117
  103    HD3  PRO  13          1HD       PRO  13  -7.236   4.943   2.413
  104    H    ASP  14           H        ASP  14  -8.292   0.786   2.591
  105    HA   ASP  14           HA       ASP  14 -10.415  -0.718   3.925
  106    HB2  ASP  14          2HB       ASP  14 -10.348  -2.244   1.960
  107    HB3  ASP  14          1HB       ASP  14 -10.682  -0.583   1.502
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -7.360  -0.423   4.409
    2    HA2  GLY   1          2HA       GLY   1  -6.154  -1.914   5.761
    3    HA3  GLY   1          1HA       GLY   1  -7.433  -3.110   5.548
    4    H    ARG   2           H        ARG   2  -5.281  -1.257   3.508
    5    HA   ARG   2           HA       ARG   2  -4.381  -3.668   2.173
    6    HB2  ARG   2          2HB       ARG   2  -6.352  -3.163   0.936
    7    HB3  ARG   2          1HB       ARG   2  -5.969  -1.456   0.918
    8    HG2  ARG   2          2HG       ARG   2  -4.177  -1.853  -0.663
    9    HG3  ARG   2          1HG       ARG   2  -4.462  -3.593  -0.578
   10    HD2  ARG   2          2HD       ARG   2  -5.515  -2.369  -2.557
   11    HD3  ARG   2          1HD       ARG   2  -6.575  -3.415  -1.613
   12    HE   ARG   2           HE       ARG   2  -7.137  -1.174  -0.417
   13   HH11  ARG   2          1HH1      ARG   2  -6.700  -1.544  -3.912
   14   HH12  ARG   2          2HH1      ARG   2  -7.722  -0.229  -4.278
   15   HH21  ARG   2          1HH2      ARG   2  -8.437   0.478  -0.885
   16   HH22  ARG   2          2HH2      ARG   2  -8.767   1.006  -2.492
   17    H    CYS   3           H        CYS   3  -2.254  -3.424   2.242
   18    HA   CYS   3           HA       CYS   3  -1.101  -0.799   1.625
   19    HB2  CYS   3          2HB       CYS   3  -0.111  -2.871   3.587
   20    HB3  CYS   3          1HB       CYS   3   0.811  -1.465   3.076
   21    H    THR   4           H        THR   4   0.369  -0.816   0.028
   22    HA   THR   4           HA       THR   4   0.761  -3.176  -1.454
   23    HB   THR   4           HB       THR   4   2.393  -1.778  -2.744
   24    HG1  THR   4          1HG       THR   4   3.221  -0.192  -1.683
   25   HG21  THR   4          1HG2      THR   4  -0.275  -0.473  -2.176
   26   HG22  THR   4          2HG2      THR   4   0.019  -1.766  -3.340
   27   HG23  THR   4          3HG2      THR   4   0.730  -0.173  -3.594
   28    H    LYS   5           H        LYS   5   2.386  -4.622  -1.343
   29    HA   LYS   5           HA       LYS   5   4.312  -4.320   0.788
   30    HB2  LYS   5          2HB       LYS   5   3.996  -6.570  -1.227
   31    HB3  LYS   5          1HB       LYS   5   5.022  -6.609   0.200
   32    HG2  LYS   5          2HG       LYS   5   2.010  -6.426   0.186
   33    HG3  LYS   5          1HG       LYS   5   2.968  -7.854   0.577
   34    HD2  LYS   5          2HD       LYS   5   3.895  -6.741   2.530
   35    HD3  LYS   5          1HD       LYS   5   3.068  -5.246   2.106
   36    HE2  LYS   5          2HE       LYS   5   1.874  -6.391   3.879
   37    HE3  LYS   5          1HE       LYS   5   0.907  -6.360   2.412
   38    HZ1  LYS   5          1HZ       LYS   5   2.500  -8.674   3.367
   39    HZ2  LYS   5          2HZ       LYS   5   1.513  -8.657   1.991
   40    HZ3  LYS   5          3HZ       LYS   5   0.842  -8.492   3.519
   41    H    SER   6           H        SER   6   4.043  -3.590  -2.455
   42    HA   SER   6           HA       SER   6   6.830  -3.410  -3.014
   43    HB2  SER   6          2HB       SER   6   5.837  -2.102  -5.004
   44    HB3  SER   6          1HB       SER   6   5.460  -3.821  -4.899
   45    HG   SER   6           HG       SER   6   3.480  -3.245  -4.919
   46    H    ILE   7           H        ILE   7   8.013  -1.512  -2.968
   47    HA   ILE   7           HA       ILE   7   7.028   0.543  -1.165
   48    HB   ILE   7           HB       ILE   7   9.771   0.182  -2.458
   49   HG12  ILE   7          2HG1      ILE   7   9.243  -1.757  -1.080
   50   HG13  ILE   7          1HG1      ILE   7  10.499  -0.789  -0.318
   51   HG21  ILE   7          1HG2      ILE   7  10.638   1.647  -0.728
   52   HG22  ILE   7          2HG2      ILE   7   9.036   1.810  -0.033
   53   HG23  ILE   7          3HG2      ILE   7   9.366   2.470  -1.638
   54   HD11  ILE   7          1HD1      ILE   7   8.820   0.148   1.209
   55   HD12  ILE   7          2HD1      ILE   7   8.920  -1.608   1.323
   56   HD13  ILE   7          3HD1      ILE   7   7.582  -0.856   0.454
   57    HA   PRO   8           HA       PRO   8   7.389   2.866  -0.775
   58    HB2  PRO   8          2HB       PRO   8   5.542   4.828  -0.893
   59    HB3  PRO   8          1HB       PRO   8   7.202   5.068  -1.446
   60    HG2  PRO   8          2HG       PRO   8   4.745   4.465  -3.041
   61    HG3  PRO   8          1HG       PRO   8   6.027   5.646  -3.370
   62    HD2  PRO   8          2HD       PRO   8   5.917   3.226  -4.580
   63    HD3  PRO   8          1HD       PRO   8   7.450   4.047  -4.221
   64    HA   PRO   9           HA       PRO   9   3.957   0.470   0.673
   65    HB2  PRO   9          2HB       PRO   9   3.883   1.408   3.253
   66    HB3  PRO   9          1HB       PRO   9   5.040   0.194   2.689
   67    HG2  PRO   9          2HG       PRO   9   5.408   3.121   3.119
   68    HG3  PRO   9          1HG       PRO   9   6.535   1.791   3.430
   69    HD2  PRO   9          2HD       PRO   9   6.721   3.418   1.272
   70    HD3  PRO   9          1HD       PRO   9   7.244   1.722   1.256
   71    H    ARG  10           H        ARG  10   2.224   1.226  -0.361
   72    HA   ARG  10           HA       ARG  10   1.012   3.756   0.437
   73    HB2  ARG  10          2HB       ARG  10   1.573   3.185  -1.951
   74    HB3  ARG  10          1HB       ARG  10   0.391   1.898  -1.849
   75    HG2  ARG  10          2HG       ARG  10  -1.364   3.571  -1.452
   76    HG3  ARG  10          1HG       ARG  10  -0.146   4.845  -1.604
   77    HD2  ARG  10          2HD       ARG  10  -0.926   2.842  -3.723
   78    HD3  ARG  10          1HD       ARG  10  -1.308   4.560  -3.722
   79    HE   ARG  10           HE       ARG  10   0.990   5.044  -4.063
   80   HH11  ARG  10          1HH1      ARG  10   0.145   1.625  -4.521
   81   HH12  ARG  10          2HH1      ARG  10   1.563   1.232  -5.361
   82   HH21  ARG  10          1HH2      ARG  10   2.922   4.496  -5.258
   83   HH22  ARG  10          2HH2      ARG  10   3.179   2.915  -5.843
   84    H    CYS  11           H        CYS  11  -0.539   3.542   1.956
   85    HA   CYS  11           HA       CYS  11  -1.991   1.016   2.035
   86    HB2  CYS  11          2HB       CYS  11  -1.449   2.964   4.282
   87    HB3  CYS  11          1HB       CYS  11  -2.462   1.535   4.393
   88    H    PHE  12           H        PHE  12  -4.119   1.024   2.204
   89    HA   PHE  12           HA       PHE  12  -5.435   3.591   1.889
   90    HB2  PHE  12          2HB       PHE  12  -6.256   0.900   0.756
   91    HB3  PHE  12          1HB       PHE  12  -7.136   2.407   0.548
   92    HD1  PHE  12          1HD       PHE  12  -4.563   0.289  -0.726
   93    HD2  PHE  12          2HD       PHE  12  -5.974   4.296  -0.692
   94    HE1  PHE  12          1HE       PHE  12  -3.251   0.763  -2.755
   95    HE2  PHE  12          2HE       PHE  12  -4.671   4.779  -2.716
   96    HZ   PHE  12           HZ       PHE  12  -3.306   3.001  -3.752
   97    HA   PRO  13           HA       PRO  13  -7.465   2.756   5.704
   98    HB2  PRO  13          2HB       PRO  13 -10.004   3.650   4.490
   99    HB3  PRO  13          1HB       PRO  13  -9.133   4.286   5.891
  100    HG2  PRO  13          2HG       PRO  13  -9.136   5.624   3.616
  101    HG3  PRO  13          1HG       PRO  13  -7.660   5.505   4.593
  102    HD2  PRO  13          2HD       PRO  13  -8.411   3.989   2.120
  103    HD3  PRO  13          1HD       PRO  13  -6.862   4.745   2.566
  104    H    ASP  14           H        ASP  14  -8.557   1.137   2.900
  105    HA   ASP  14           HA       ASP  14 -10.641  -0.348   4.207
  106    HB2  ASP  14          2HB       ASP  14 -10.859  -1.592   2.158
  107    HB3  ASP  14          1HB       ASP  14 -10.671   0.107   1.744
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -7.585  -0.622   4.457
    2    HA2  GLY   1          2HA       GLY   1  -6.534  -2.074   5.950
    3    HA3  GLY   1          1HA       GLY   1  -7.765  -3.282   5.599
    4    H    ARG   2           H        ARG   2  -5.331  -1.510   3.765
    5    HA   ARG   2           HA       ARG   2  -4.018  -3.897   2.883
    6    HB2  ARG   2          2HB       ARG   2  -5.967  -3.974   1.454
    7    HB3  ARG   2          1HB       ARG   2  -5.799  -2.277   1.065
    8    HG2  ARG   2          2HG       ARG   2  -3.771  -2.774  -0.208
    9    HG3  ARG   2          1HG       ARG   2  -3.933  -4.481   0.215
   10    HD2  ARG   2          2HD       ARG   2  -4.830  -3.858  -2.048
   11    HD3  ARG   2          1HD       ARG   2  -5.968  -4.688  -0.988
   12    HE   ARG   2           HE       ARG   2  -6.846  -2.405  -0.452
   13   HH11  ARG   2          1HH1      ARG   2  -5.418  -3.085  -3.629
   14   HH12  ARG   2          2HH1      ARG   2  -6.250  -1.820  -4.400
   15   HH21  ARG   2          1HH2      ARG   2  -7.903  -0.725  -1.461
   16   HH22  ARG   2          2HH2      ARG   2  -7.741  -0.414  -3.149
   17    H    CYS   3           H        CYS   3  -1.991  -3.342   2.023
   18    HA   CYS   3           HA       CYS   3  -1.409  -0.504   1.623
   19    HB2  CYS   3          2HB       CYS   3   0.318  -2.380   3.281
   20    HB3  CYS   3          1HB       CYS   3   0.664  -0.697   2.921
   21    H    THR   4           H        THR   4   0.514  -0.235   0.248
   22    HA   THR   4           HA       THR   4   0.780  -2.407  -1.541
   23    HB   THR   4           HB       THR   4   2.642  -0.985  -2.536
   24    HG1  THR   4          1HG       THR   4   3.109   0.869  -1.650
   25   HG21  THR   4          1HG2      THR   4  -0.118   0.211  -2.301
   26   HG22  THR   4          2HG2      THR   4   0.415  -0.973  -3.499
   27   HG23  THR   4          3HG2      THR   4   1.075   0.660  -3.517
   28    H    LYS   5           H        LYS   5   1.985  -4.019  -1.344
   29    HA   LYS   5           HA       LYS   5   3.842  -4.344   0.818
   30    HB2  LYS   5          2HB       LYS   5   3.375  -6.130  -1.583
   31    HB3  LYS   5          1HB       LYS   5   4.128  -6.597  -0.065
   32    HG2  LYS   5          2HG       LYS   5   2.003  -6.212   1.098
   33    HG3  LYS   5          1HG       LYS   5   1.250  -5.780  -0.437
   34    HD2  LYS   5          2HD       LYS   5   1.856  -8.052  -1.279
   35    HD3  LYS   5          1HD       LYS   5   2.431  -8.434   0.338
   36    HE2  LYS   5          2HE       LYS   5   0.189  -9.295   0.050
   37    HE3  LYS   5          1HE       LYS   5   0.183  -8.000   1.242
   38    HZ1  LYS   5          1HZ       LYS   5  -1.678  -7.837  -0.262
   39    HZ2  LYS   5          2HZ       LYS   5  -0.683  -7.798  -1.595
   40    HZ3  LYS   5          3HZ       LYS   5  -0.682  -6.500  -0.509
   41    H    SER   6           H        SER   6   3.841  -3.706  -2.563
   42    HA   SER   6           HA       SER   6   6.668  -3.743  -2.890
   43    HB2  SER   6          2HB       SER   6   5.903  -2.825  -5.161
   44    HB3  SER   6          1HB       SER   6   5.401  -4.468  -4.749
   45    HG   SER   6           HG       SER   6   3.870  -2.513  -5.460
   46    H    ILE   7           H        ILE   7   7.937  -2.017  -2.749
   47    HA   ILE   7           HA       ILE   7   7.018   0.340  -1.467
   48    HB   ILE   7           HB       ILE   7   9.376   1.117  -1.716
   49   HG12  ILE   7          2HG1      ILE   7   9.761  -1.537  -3.140
   50   HG13  ILE   7          1HG1      ILE   7   9.836   0.045  -3.903
   51   HG21  ILE   7          1HG2      ILE   7   9.026  -1.698  -0.689
   52   HG22  ILE   7          2HG2      ILE   7   8.715  -0.220   0.217
   53   HG23  ILE   7          3HG2      ILE   7  10.358  -0.622  -0.279
   54   HD11  ILE   7          1HD1      ILE   7  11.780   0.593  -2.544
   55   HD12  ILE   7          2HD1      ILE   7  12.047  -0.860  -3.511
   56   HD13  ILE   7          3HD1      ILE   7  11.698  -0.995  -1.786
   57    HA   PRO   8           HA       PRO   8   7.671   2.560  -1.242
   58    HB2  PRO   8          2HB       PRO   8   6.048   4.727  -1.390
   59    HB3  PRO   8          1HB       PRO   8   7.703   4.739  -2.010
   60    HG2  PRO   8          2HG       PRO   8   5.131   4.363  -3.488
   61    HG3  PRO   8          1HG       PRO   8   6.535   5.350  -3.932
   62    HD2  PRO   8          2HD       PRO   8   6.065   2.900  -4.992
   63    HD3  PRO   8          1HD       PRO   8   7.702   3.535  -4.737
   64    HA   PRO   9           HA       PRO   9   3.955   0.684   0.328
   65    HB2  PRO   9          2HB       PRO   9   4.401   1.016   2.953
   66    HB3  PRO   9          1HB       PRO   9   5.342  -0.115   1.977
   67    HG2  PRO   9          2HG       PRO   9   6.064   2.633   2.890
   68    HG3  PRO   9          1HG       PRO   9   7.068   1.172   2.851
   69    HD2  PRO   9          2HD       PRO   9   7.152   3.139   0.953
   70    HD3  PRO   9          1HD       PRO   9   7.578   1.446   0.638
   71    H    ARG  10           H        ARG  10   2.085   1.602   0.160
   72    HA   ARG  10           HA       ARG  10   1.429   4.031   1.696
   73    HB2  ARG  10          2HB       ARG  10   1.605   4.405  -0.793
   74    HB3  ARG  10          1HB       ARG  10   0.344   3.206  -1.009
   75    HG2  ARG  10          2HG       ARG  10  -1.174   4.637   0.345
   76    HG3  ARG  10          1HG       ARG  10   0.092   5.865   0.378
   77    HD2  ARG  10          2HD       ARG  10  -1.274   4.757  -2.073
   78    HD3  ARG  10          1HD       ARG  10  -1.510   6.357  -1.374
   79    HE   ARG  10           HE       ARG  10   1.204   5.956  -1.997
   80   HH11  ARG  10          1HH1      ARG  10  -1.899   6.552  -3.607
   81   HH12  ARG  10          2HH1      ARG  10  -1.201   7.316  -4.955
   82   HH21  ARG  10          1HH2      ARG  10   2.140   6.951  -3.844
   83   HH22  ARG  10          2HH2      ARG  10   1.165   7.521  -5.118
   84    H    CYS  11           H        CYS  11  -0.437   3.771   2.907
   85    HA   CYS  11           HA       CYS  11  -1.755   1.196   2.628
   86    HB2  CYS  11          2HB       CYS  11  -1.510   3.015   5.012
   87    HB3  CYS  11          1HB       CYS  11  -2.578   1.614   4.966
   88    H    PHE  12           H        PHE  12  -3.887   0.973   2.504
   89    HA   PHE  12           HA       PHE  12  -5.343   3.374   1.718
   90    HB2  PHE  12          2HB       PHE  12  -5.883   0.508   0.905
   91    HB3  PHE  12          1HB       PHE  12  -6.582   1.964   0.206
   92    HD1  PHE  12          1HD       PHE  12  -4.109  -0.492  -0.150
   93    HD2  PHE  12          2HD       PHE  12  -4.827   3.644  -0.828
   94    HE1  PHE  12          1HE       PHE  12  -2.278  -0.448  -1.791
   95    HE2  PHE  12          2HE       PHE  12  -3.006   3.690  -2.476
   96    HZ   PHE  12           HZ       PHE  12  -1.726   1.645  -2.955
   97    HA   PRO  13           HA       PRO  13  -7.980   2.748   5.225
   98    HB2  PRO  13          2HB       PRO  13 -10.297   3.462   3.536
   99    HB3  PRO  13          1HB       PRO  13  -9.676   4.253   4.986
  100    HG2  PRO  13          2HG       PRO  13  -9.347   5.355   2.584
  101    HG3  PRO  13          1HG       PRO  13  -8.071   5.441   3.811
  102    HD2  PRO  13          2HD       PRO  13  -8.278   3.650   1.418
  103    HD3  PRO  13          1HD       PRO  13  -6.877   4.523   2.075
  104    H    ASP  14           H        ASP  14  -8.365   0.765   2.518
  105    HA   ASP  14           HA       ASP  14 -10.654  -0.654   3.627
  106    HB2  ASP  14          2HB       ASP  14 -10.655  -2.032   1.623
  107    HB3  ASP  14          1HB       ASP  14 -10.574  -0.336   1.179
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -7.156  -0.188   4.503
    2    HA2  GLY   1          2HA       GLY   1  -5.658  -1.220   6.106
    3    HA3  GLY   1          1HA       GLY   1  -6.838  -2.505   6.299
    4    H    ARG   2           H        ARG   2  -5.491  -1.088   3.354
    5    HA   ARG   2           HA       ARG   2  -4.296  -3.722   2.763
    6    HB2  ARG   2          2HB       ARG   2  -5.576  -1.831   0.794
    7    HB3  ARG   2          1HB       ARG   2  -4.748  -3.318   0.391
    8    HG2  ARG   2          2HG       ARG   2  -6.453  -4.586   1.564
    9    HG3  ARG   2          1HG       ARG   2  -7.271  -3.079   1.995
   10    HD2  ARG   2          2HD       ARG   2  -7.577  -2.554  -0.325
   11    HD3  ARG   2          1HD       ARG   2  -6.732  -4.026  -0.809
   12    HE   ARG   2           HE       ARG   2  -8.938  -4.494   0.912
   13   HH11  ARG   2          1HH1      ARG   2  -8.103  -3.790  -2.441
   14   HH12  ARG   2          2HH1      ARG   2  -9.427  -4.613  -3.118
   15   HH21  ARG   2          1HH2      ARG   2 -10.801  -5.592   0.000
   16   HH22  ARG   2          2HH2      ARG   2 -11.016  -5.641  -1.695
   17    H    CYS   3           H        CYS   3  -2.138  -3.409   2.857
   18    HA   CYS   3           HA       CYS   3  -1.129  -0.951   1.618
   19    HB2  CYS   3          2HB       CYS   3   0.162  -2.732   3.702
   20    HB3  CYS   3          1HB       CYS   3   0.960  -1.371   2.923
   21    H    THR   4           H        THR   4   0.119  -1.128  -0.147
   22    HA   THR   4           HA       THR   4   0.202  -3.640  -1.425
   23    HB   THR   4           HB       THR   4   1.440  -2.416  -3.196
   24    HG1  THR   4          1HG       THR   4   2.504  -0.766  -2.532
   25   HG21  THR   4          1HG2      THR   4  -0.392  -0.871  -3.775
   26   HG22  THR   4          2HG2      THR   4  -1.003  -0.990  -2.124
   27   HG23  THR   4          3HG2      THR   4  -1.014  -2.409  -3.171
   28    H    LYS   5           H        LYS   5   1.999  -4.858  -1.962
   29    HA   LYS   5           HA       LYS   5   4.287  -4.546  -0.242
   30    HB2  LYS   5          2HB       LYS   5   3.754  -6.594  -2.412
   31    HB3  LYS   5          1HB       LYS   5   5.122  -6.625  -1.318
   32    HG2  LYS   5          2HG       LYS   5   2.218  -6.947  -0.554
   33    HG3  LYS   5          1HG       LYS   5   3.420  -8.230  -0.649
   34    HD2  LYS   5          2HD       LYS   5   3.427  -5.895   1.283
   35    HD3  LYS   5          1HD       LYS   5   3.044  -7.568   1.669
   36    HE2  LYS   5          2HE       LYS   5   5.718  -6.513   0.738
   37    HE3  LYS   5          1HE       LYS   5   5.309  -7.008   2.374
   38    HZ1  LYS   5          1HZ       LYS   5   6.535  -8.717   1.215
   39    HZ2  LYS   5          2HZ       LYS   5   5.392  -8.802  -0.003
   40    HZ3  LYS   5          3HZ       LYS   5   4.988  -9.285   1.550
   41    H    SER   6           H        SER   6   4.897  -2.548  -1.019
   42    HA   SER   6           HA       SER   6   6.760  -2.640  -3.196
   43    HB2  SER   6          2HB       SER   6   5.781  -0.642  -4.291
   44    HB3  SER   6          1HB       SER   6   4.653  -1.996  -4.345
   45    HG   SER   6           HG       SER   6   4.600   0.248  -2.584
   46    H    ILE   7           H        ILE   7   8.009  -0.563  -3.118
   47    HA   ILE   7           HA       ILE   7   7.757   0.781  -0.542
   48    HB   ILE   7           HB       ILE   7  10.313   0.209  -2.095
   49   HG12  ILE   7          2HG1      ILE   7   9.506  -1.798  -0.935
   50   HG13  ILE   7          1HG1      ILE   7  10.983  -1.205  -0.192
   51   HG21  ILE   7          1HG2      ILE   7  11.514   1.217  -0.204
   52   HG22  ILE   7          2HG2      ILE   7   9.972   1.642   0.537
   53   HG23  ILE   7          3HG2      ILE   7  10.440   2.369  -1.000
   54   HD11  ILE   7          1HD1      ILE   7   9.634  -0.197   1.610
   55   HD12  ILE   7          2HD1      ILE   7   9.410  -1.940   1.495
   56   HD13  ILE   7          3HD1      ILE   7   8.177  -0.853   0.863
   57    HA   PRO   8           HA       PRO   8   7.404   2.582   0.256
   58    HB2  PRO   8          2HB       PRO   8   5.416   4.613  -0.414
   59    HB3  PRO   8          1HB       PRO   8   6.801   4.747   0.671
   60    HG2  PRO   8          2HG       PRO   8   6.698   6.073  -1.664
   61    HG3  PRO   8          1HG       PRO   8   8.219   5.440  -1.020
   62    HD2  PRO   8          2HD       PRO   8   6.420   4.240  -3.104
   63    HD3  PRO   8          1HD       PRO   8   8.185   4.455  -3.143
   64    HA   PRO   9           HA       PRO   9   3.675   0.166  -0.190
   65    HB2  PRO   9          2HB       PRO   9   2.701   0.312   2.351
   66    HB3  PRO   9          1HB       PRO   9   4.064  -0.716   1.903
   67    HG2  PRO   9          2HG       PRO   9   4.052   1.948   3.234
   68    HG3  PRO   9          1HG       PRO   9   5.094   0.550   3.544
   69    HD2  PRO   9          2HD       PRO   9   5.886   2.729   2.103
   70    HD3  PRO   9          1HD       PRO   9   6.538   1.099   1.846
   71    H    ARG  10           H        ARG  10   1.739   0.683  -0.982
   72    HA   ARG  10           HA       ARG  10   0.639   3.302  -0.385
   73    HB2  ARG  10          2HB       ARG  10   0.991   2.461  -2.764
   74    HB3  ARG  10          1HB       ARG  10  -0.245   1.260  -2.445
   75    HG2  ARG  10          2HG       ARG  10  -1.106   3.178  -3.700
   76    HG3  ARG  10          1HG       ARG  10  -1.896   3.013  -2.129
   77    HD2  ARG  10          2HD       ARG  10  -1.259   5.361  -2.723
   78    HD3  ARG  10          1HD       ARG  10  -0.585   4.786  -1.200
   79    HE   ARG  10           HE       ARG  10   1.008   4.680  -3.663
   80   HH11  ARG  10          1HH1      ARG  10   0.575   5.971  -0.377
   81   HH12  ARG  10          2HH1      ARG  10   2.139   6.619  -0.290
   82   HH21  ARG  10          1HH2      ARG  10   3.167   5.537  -3.493
   83   HH22  ARG  10          2HH2      ARG  10   3.661   6.366  -2.080
   84    H    CYS  11           H        CYS  11  -0.741   3.306   1.265
   85    HA   CYS  11           HA       CYS  11  -2.138   0.822   1.867
   86    HB2  CYS  11          2HB       CYS  11  -1.455   3.126   3.681
   87    HB3  CYS  11          1HB       CYS  11  -2.380   1.708   4.159
   88    H    PHE  12           H        PHE  12  -4.109   0.680   1.582
   89    HA   PHE  12           HA       PHE  12  -5.787   2.961   0.953
   90    HB2  PHE  12          2HB       PHE  12  -6.376  -0.016   1.003
   91    HB3  PHE  12          1HB       PHE  12  -7.456   1.225   0.396
   92    HD1  PHE  12          1HD       PHE  12  -4.255  -0.534  -0.249
   93    HD2  PHE  12          2HD       PHE  12  -7.213   2.109  -1.785
   94    HE1  PHE  12          1HE       PHE  12  -3.287  -0.761  -2.487
   95    HE2  PHE  12          2HE       PHE  12  -6.243   1.894  -4.024
   96    HZ   PHE  12           HZ       PHE  12  -4.273   0.453  -4.383
   97    HA   PRO  13           HA       PRO  13  -7.349   3.573   5.005
   98    HB2  PRO  13          2HB       PRO  13 -10.053   3.898   4.527
   99    HB3  PRO  13          1HB       PRO  13  -8.832   5.154   4.315
  100    HG2  PRO  13          2HG       PRO  13 -10.056   3.337   2.277
  101    HG3  PRO  13          1HG       PRO  13  -9.680   5.067   2.153
  102    HD2  PRO  13          2HD       PRO  13  -8.103   3.243   1.020
  103    HD3  PRO  13          1HD       PRO  13  -7.406   4.669   1.812
  104    H    ASP  14           H        ASP  14  -8.839   0.997   3.149
  105    HA   ASP  14           HA       ASP  14 -10.340   0.027   5.393
  106    HB2  ASP  14          2HB       ASP  14 -11.144  -1.705   3.943
  107    HB3  ASP  14          1HB       ASP  14 -11.155  -0.198   3.043
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -7.226  -0.182   4.514
    2    HA2  GLY   1          2HA       GLY   1  -5.887  -0.930   6.295
    3    HA3  GLY   1          1HA       GLY   1  -6.936  -2.327   6.459
    4    H    ARG   2           H        ARG   2  -5.582  -1.269   3.392
    5    HA   ARG   2           HA       ARG   2  -3.782  -3.567   3.579
    6    HB2  ARG   2          2HB       ARG   2  -4.198  -4.205   1.307
    7    HB3  ARG   2          1HB       ARG   2  -5.723  -4.148   2.166
    8    HG2  ARG   2          2HG       ARG   2  -6.154  -1.931   1.139
    9    HG3  ARG   2          1HG       ARG   2  -4.669  -2.128   0.198
   10    HD2  ARG   2          2HD       ARG   2  -5.603  -4.282  -0.637
   11    HD3  ARG   2          1HD       ARG   2  -7.121  -3.861   0.141
   12    HE   ARG   2           HE       ARG   2  -5.863  -2.353  -2.039
   13   HH11  ARG   2          1HH1      ARG   2  -8.735  -3.070  -0.161
   14   HH12  ARG   2          2HH1      ARG   2  -9.849  -2.749  -1.412
   15   HH21  ARG   2          1HH2      ARG   2  -7.354  -1.817  -3.765
   16   HH22  ARG   2          2HH2      ARG   2  -9.029  -1.945  -3.527
   17    H    CYS   3           H        CYS   3  -1.853  -3.416   2.402
   18    HA   CYS   3           HA       CYS   3  -1.207  -0.756   1.406
   19    HB2  CYS   3          2HB       CYS   3   0.487  -2.425   3.287
   20    HB3  CYS   3          1HB       CYS   3   0.982  -0.905   2.550
   21    H    THR   4           H        THR   4   0.465  -0.784  -0.174
   22    HA   THR   4           HA       THR   4   0.478  -3.081  -1.799
   23    HB   THR   4           HB       THR   4   2.225  -1.783  -3.082
   24    HG1  THR   4          1HG       THR   4   3.186  -0.272  -2.005
   25   HG21  THR   4          1HG2      THR   4   0.646  -0.029  -3.813
   26   HG22  THR   4          2HG2      THR   4  -0.340  -0.335  -2.381
   27   HG23  THR   4          3HG2      THR   4  -0.163  -1.583  -3.612
   28    H    LYS   5           H        LYS   5   2.162  -4.494  -2.248
   29    HA   LYS   5           HA       LYS   5   4.052  -5.009  -0.157
   30    HB2  LYS   5          2HB       LYS   5   3.756  -6.211  -2.923
   31    HB3  LYS   5          1HB       LYS   5   4.837  -6.808  -1.673
   32    HG2  LYS   5          2HG       LYS   5   2.987  -7.393  -0.261
   33    HG3  LYS   5          1HG       LYS   5   1.853  -6.627  -1.364
   34    HD2  LYS   5          2HD       LYS   5   1.705  -9.004  -1.667
   35    HD3  LYS   5          1HD       LYS   5   2.467  -8.318  -3.088
   36    HE2  LYS   5          2HE       LYS   5   3.999  -9.604  -0.816
   37    HE3  LYS   5          1HE       LYS   5   3.454 -10.488  -2.230
   38    HZ1  LYS   5          1HZ       LYS   5   4.847  -8.935  -3.589
   39    HZ2  LYS   5          2HZ       LYS   5   5.698  -9.908  -2.553
   40    HZ3  LYS   5          3HZ       LYS   5   5.499  -8.308  -2.154
   41    H    SER   6           H        SER   6   3.986  -3.376  -3.195
   42    HA   SER   6           HA       SER   6   6.764  -3.054  -3.502
   43    HB2  SER   6          2HB       SER   6   5.936  -1.272  -5.138
   44    HB3  SER   6          1HB       SER   6   5.432  -2.934  -5.453
   45    HG   SER   6           HG       SER   6   3.479  -2.285  -5.296
   46    H    ILE   7           H        ILE   7   8.029  -1.497  -2.689
   47    HA   ILE   7           HA       ILE   7   6.902   0.333  -0.743
   48    HB   ILE   7           HB       ILE   7   9.304   0.874  -0.237
   49   HG12  ILE   7          2HG1      ILE   7   9.881  -1.362  -2.212
   50   HG13  ILE   7          1HG1      ILE   7  10.256   0.337  -2.443
   51   HG21  ILE   7          1HG2      ILE   7   8.522  -2.032  -0.073
   52   HG22  ILE   7          2HG2      ILE   7   8.132  -0.767   1.091
   53   HG23  ILE   7          3HG2      ILE   7   9.806  -1.271   0.865
   54   HD11  ILE   7          1HD1      ILE   7  11.836   0.251  -0.610
   55   HD12  ILE   7          2HD1      ILE   7  12.220  -0.968  -1.826
   56   HD13  ILE   7          3HD1      ILE   7  11.432  -1.439  -0.319
   57    HA   PRO   8           HA       PRO   8   7.559   2.297   0.253
   58    HB2  PRO   8          2HB       PRO   8   6.036   4.743  -0.182
   59    HB3  PRO   8          1HB       PRO   8   7.580   4.548   0.647
   60    HG2  PRO   8          2HG       PRO   8   7.368   5.831  -1.727
   61    HG3  PRO   8          1HG       PRO   8   8.807   4.901  -1.270
   62    HD2  PRO   8          2HD       PRO   8   6.515   4.089  -3.027
   63    HD3  PRO   8          1HD       PRO   8   8.261   3.876  -3.287
   64    HA   PRO   9           HA       PRO   9   3.635   0.359   0.590
   65    HB2  PRO   9          2HB       PRO   9   2.987   1.120   3.171
   66    HB3  PRO   9          1HB       PRO   9   4.030  -0.241   2.753
   67    HG2  PRO   9          2HG       PRO   9   4.771   2.534   3.575
   68    HG3  PRO   9          1HG       PRO   9   5.529   0.993   4.015
   69    HD2  PRO   9          2HD       PRO   9   6.621   2.610   2.189
   70    HD3  PRO   9          1HD       PRO   9   6.680   0.844   2.004
   71    H    ARG  10           H        ARG  10   2.122   1.192  -0.632
   72    HA   ARG  10           HA       ARG  10   0.862   3.724   0.047
   73    HB2  ARG  10          2HB       ARG  10   1.411   3.238  -2.301
   74    HB3  ARG  10          1HB       ARG  10   0.481   1.756  -2.222
   75    HG2  ARG  10          2HG       ARG  10  -1.566   3.045  -1.946
   76    HG3  ARG  10          1HG       ARG  10  -0.630   4.546  -1.991
   77    HD2  ARG  10          2HD       ARG  10   0.164   3.997  -4.216
   78    HD3  ARG  10          1HD       ARG  10  -0.733   2.481  -4.176
   79    HE   ARG  10           HE       ARG  10  -2.504   4.573  -3.736
   80   HH11  ARG  10          1HH1      ARG  10  -0.414   3.323  -6.324
   81   HH12  ARG  10          2HH1      ARG  10  -1.386   3.869  -7.600
   82   HH21  ARG  10          1HH2      ARG  10  -3.900   5.325  -5.540
   83   HH22  ARG  10          2HH2      ARG  10  -3.408   5.035  -7.137
   84    H    CYS  11           H        CYS  11  -0.726   3.598   1.526
   85    HA   CYS  11           HA       CYS  11  -2.037   1.015   1.837
   86    HB2  CYS  11          2HB       CYS  11  -1.613   3.204   3.863
   87    HB3  CYS  11          1HB       CYS  11  -2.440   1.676   4.164
   88    H    PHE  12           H        PHE  12  -4.142   0.855   1.976
   89    HA   PHE  12           HA       PHE  12  -5.681   3.203   1.186
   90    HB2  PHE  12          2HB       PHE  12  -6.192   0.261   0.640
   91    HB3  PHE  12          1HB       PHE  12  -7.269   1.573   0.175
   92    HD1  PHE  12          1HD       PHE  12  -6.741   3.017  -1.674
   93    HD2  PHE  12          2HD       PHE  12  -4.058  -0.072  -0.514
   94    HE1  PHE  12          1HE       PHE  12  -5.526   3.287  -3.786
   95    HE2  PHE  12          2HE       PHE  12  -2.836   0.189  -2.625
   96    HZ   PHE  12           HZ       PHE  12  -3.565   1.872  -4.269
   97    HA   PRO  13           HA       PRO  13  -7.818   3.225   5.025
   98    HB2  PRO  13          2HB       PRO  13 -10.383   3.493   3.587
   99    HB3  PRO  13          1HB       PRO  13  -9.632   4.578   4.759
  100    HG2  PRO  13          2HG       PRO  13  -9.663   5.203   2.176
  101    HG3  PRO  13          1HG       PRO  13  -8.237   5.544   3.170
  102    HD2  PRO  13          2HD       PRO  13  -8.705   3.334   1.212
  103    HD3  PRO  13          1HD       PRO  13  -7.258   4.330   1.481
  104    H    ASP  14           H        ASP  14  -8.580   0.699   2.876
  105    HA   ASP  14           HA       ASP  14 -10.477  -0.527   4.702
  106    HB2  ASP  14          2HB       ASP  14 -10.666  -2.317   3.075
  107    HB3  ASP  14          1HB       ASP  14 -10.811  -0.771   2.252
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -7.039  -0.434   4.938
    2    HA2  GLY   1          2HA       GLY   1  -5.352  -1.581   6.035
    3    HA3  GLY   1          1HA       GLY   1  -6.402  -2.991   6.129
    4    H    ARG   2           H        ARG   2  -5.749  -1.253   3.252
    5    HA   ARG   2           HA       ARG   2  -4.385  -3.596   2.116
    6    HB2  ARG   2          2HB       ARG   2  -6.594  -2.948   1.167
    7    HB3  ARG   2          1HB       ARG   2  -5.931  -1.371   0.788
    8    HG2  ARG   2          2HG       ARG   2  -4.276  -2.501  -0.677
    9    HG3  ARG   2          1HG       ARG   2  -5.138  -4.015  -0.388
   10    HD2  ARG   2          2HD       ARG   2  -6.233  -1.509  -1.656
   11    HD3  ARG   2          1HD       ARG   2  -5.915  -3.046  -2.451
   12    HE   ARG   2           HE       ARG   2  -7.919  -2.817  -0.298
   13   HH11  ARG   2          1HH1      ARG   2  -7.085  -3.772  -3.614
   14   HH12  ARG   2          2HH1      ARG   2  -8.623  -4.395  -3.974
   15   HH21  ARG   2          1HH2      ARG   2  -9.995  -3.644  -0.784
   16   HH22  ARG   2          2HH2      ARG   2 -10.348  -4.323  -2.310
   17    H    CYS   3           H        CYS   3  -2.270  -3.205   1.585
   18    HA   CYS   3           HA       CYS   3  -1.460  -0.454   1.010
   19    HB2  CYS   3          2HB       CYS   3   0.038  -2.327   2.865
   20    HB3  CYS   3          1HB       CYS   3   0.547  -0.716   2.384
   21    H    THR   4           H        THR   4   0.317  -0.372  -0.441
   22    HA   THR   4           HA       THR   4   0.627  -2.655  -2.063
   23    HB   THR   4           HB       THR   4   2.515  -1.307  -3.090
   24    HG1  THR   4          1HG       THR   4   3.274   0.168  -1.819
   25   HG21  THR   4          1HG2      THR   4   1.039   0.422  -4.053
   26   HG22  THR   4          2HG2      THR   4  -0.149   0.096  -2.790
   27   HG23  THR   4          3HG2      THR   4   0.241  -1.149  -3.977
   28    H    LYS   5           H        LYS   5   1.978  -4.310  -1.815
   29    HA   LYS   5           HA       LYS   5   3.602  -4.459   0.526
   30    HB2  LYS   5          2HB       LYS   5   3.237  -6.358  -1.781
   31    HB3  LYS   5          1HB       LYS   5   4.188  -6.731  -0.346
   32    HG2  LYS   5          2HG       LYS   5   2.242  -6.543   1.054
   33    HG3  LYS   5          1HG       LYS   5   1.260  -6.007  -0.304
   34    HD2  LYS   5          2HD       LYS   5   1.668  -8.205  -1.393
   35    HD3  LYS   5          1HD       LYS   5   2.558  -8.703   0.047
   36    HE2  LYS   5          2HE       LYS   5   0.258  -9.542   0.059
   37    HE3  LYS   5          1HE       LYS   5   0.566  -8.447   1.404
   38    HZ1  LYS   5          1HZ       LYS   5  -0.828  -7.683  -1.123
   39    HZ2  LYS   5          2HZ       LYS   5  -0.598  -6.704   0.234
   40    HZ3  LYS   5          3HZ       LYS   5  -1.566  -8.063   0.339
   41    H    SER   6           H        SER   6   4.115  -3.495  -2.680
   42    HA   SER   6           HA       SER   6   6.970  -3.710  -2.468
   43    HB2  SER   6          2HB       SER   6   6.871  -2.540  -4.703
   44    HB3  SER   6          1HB       SER   6   6.051  -4.104  -4.643
   45    HG   SER   6           HG       SER   6   4.213  -3.183  -4.908
   46    H    ILE   7           H        ILE   7   8.317  -1.900  -2.278
   47    HA   ILE   7           HA       ILE   7   7.180   0.245  -0.802
   48    HB   ILE   7           HB       ILE   7   9.532   1.159  -0.668
   49   HG12  ILE   7          2HG1      ILE   7  11.380  -0.558  -1.214
   50   HG13  ILE   7          1HG1      ILE   7  10.199  -1.358  -2.229
   51   HG21  ILE   7          1HG2      ILE   7   9.094  -1.667   0.246
   52   HG22  ILE   7          2HG2      ILE   7   8.636  -0.190   1.095
   53   HG23  ILE   7          3HG2      ILE   7  10.339  -0.581   0.859
   54   HD11  ILE   7          1HD1      ILE   7  11.681   0.022  -3.541
   55   HD12  ILE   7          2HD1      ILE   7  11.251   1.438  -2.583
   56   HD13  ILE   7          3HD1      ILE   7  10.040   0.666  -3.606
   57    HA   PRO   8           HA       PRO   8   7.541   2.222  -0.180
   58    HB2  PRO   8          2HB       PRO   8   6.108   4.504  -0.151
   59    HB3  PRO   8          1HB       PRO   8   7.832   4.501  -0.538
   60    HG2  PRO   8          2HG       PRO   8   5.480   4.687  -2.357
   61    HG3  PRO   8          1HG       PRO   8   7.039   5.520  -2.458
   62    HD2  PRO   8          2HD       PRO   8   6.352   3.280  -3.927
   63    HD3  PRO   8          1HD       PRO   8   8.013   3.789  -3.586
   64    HA   PRO   9           HA       PRO   9   3.553   0.401   0.304
   65    HB2  PRO   9          2HB       PRO   9   3.208   0.677   2.984
   66    HB3  PRO   9          1HB       PRO   9   4.305  -0.507   2.264
   67    HG2  PRO   9          2HG       PRO   9   4.916   2.118   3.518
   68    HG3  PRO   9          1HG       PRO   9   5.833   0.606   3.576
   69    HD2  PRO   9          2HD       PRO   9   6.452   2.737   1.949
   70    HD3  PRO   9          1HD       PRO   9   6.917   1.055   1.621
   71    H    ARG  10           H        ARG  10   2.068   1.598  -0.659
   72    HA   ARG  10           HA       ARG  10   1.048   3.988   0.664
   73    HB2  ARG  10          2HB       ARG  10   1.554   4.146  -1.742
   74    HB3  ARG  10          1HB       ARG  10   0.466   2.808  -2.063
   75    HG2  ARG  10          2HG       ARG  10  -1.437   4.130  -1.409
   76    HG3  ARG  10          1HG       ARG  10  -0.386   5.456  -0.905
   77    HD2  ARG  10          2HD       ARG  10  -1.345   5.885  -3.118
   78    HD3  ARG  10          1HD       ARG  10   0.398   5.721  -3.191
   79    HE   ARG  10           HE       ARG  10  -1.393   3.504  -3.866
   80   HH11  ARG  10          1HH1      ARG  10   1.262   5.705  -4.779
   81   HH12  ARG  10          2HH1      ARG  10   1.695   4.817  -6.158
   82   HH21  ARG  10          1HH2      ARG  10  -0.766   2.309  -5.825
   83   HH22  ARG  10          2HH2      ARG  10   0.549   2.868  -6.743
   84    H    CYS  11           H        CYS  11  -0.706   3.828   1.849
   85    HA   CYS  11           HA       CYS  11  -2.113   1.280   1.813
   86    HB2  CYS  11          2HB       CYS  11  -1.741   3.262   4.033
   87    HB3  CYS  11          1HB       CYS  11  -2.766   1.835   4.120
   88    H    PHE  12           H        PHE  12  -4.251   1.163   2.169
   89    HA   PHE  12           HA       PHE  12  -5.888   3.507   1.546
   90    HB2  PHE  12          2HB       PHE  12  -6.412   0.595   0.828
   91    HB3  PHE  12          1HB       PHE  12  -7.366   1.982   0.333
   92    HD1  PHE  12          1HD       PHE  12  -6.493   3.541  -1.354
   93    HD2  PHE  12          2HD       PHE  12  -4.413  -0.018  -0.343
   94    HE1  PHE  12          1HE       PHE  12  -5.150   3.746  -3.408
   95    HE2  PHE  12          2HE       PHE  12  -3.072   0.169  -2.388
   96    HZ   PHE  12           HZ       PHE  12  -3.439   2.055  -3.926
   97    HA   PRO  13           HA       PRO  13  -7.654   2.857   5.515
   98    HB2  PRO  13          2HB       PRO  13 -10.294   3.330   5.174
   99    HB3  PRO  13          1HB       PRO  13  -9.064   4.597   5.098
  100    HG2  PRO  13          2HG       PRO  13 -10.334   3.074   2.849
  101    HG3  PRO  13          1HG       PRO  13 -10.120   4.826   3.021
  102    HD2  PRO  13          2HD       PRO  13  -8.436   3.399   1.528
  103    HD3  PRO  13          1HD       PRO  13  -7.826   4.708   2.560
  104    H    ASP  14           H        ASP  14  -8.359   0.545   3.200
  105    HA   ASP  14           HA       ASP  14 -10.128  -0.922   4.987
  106    HB2  ASP  14          2HB       ASP  14 -10.535  -2.453   3.129
  107    HB3  ASP  14          1HB       ASP  14 -10.818  -0.798   2.623
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -7.536  -0.109   4.079
    2    HA2  GLY   1          2HA       GLY   1  -6.441  -1.456   5.699
    3    HA3  GLY   1          1HA       GLY   1  -7.756  -2.614   5.583
    4    H    ARG   2           H        ARG   2  -5.537  -1.097   3.263
    5    HA   ARG   2           HA       ARG   2  -4.582  -3.776   2.531
    6    HB2  ARG   2          2HB       ARG   2  -5.445  -1.659   0.558
    7    HB3  ARG   2          1HB       ARG   2  -4.522  -3.083   0.141
    8    HG2  ARG   2          2HG       ARG   2  -6.405  -4.486   0.839
    9    HG3  ARG   2          1HG       ARG   2  -7.323  -3.022   1.220
   10    HD2  ARG   2          2HD       ARG   2  -6.199  -3.740  -1.483
   11    HD3  ARG   2          1HD       ARG   2  -7.886  -3.888  -1.000
   12    HE   ARG   2           HE       ARG   2  -7.777  -1.429  -0.595
   13   HH11  ARG   2          1HH1      ARG   2  -5.653  -2.949  -3.045
   14   HH12  ARG   2          2HH1      ARG   2  -5.634  -1.599  -4.070
   15   HH21  ARG   2          1HH2      ARG   2  -7.729   0.430  -2.100
   16   HH22  ARG   2          2HH2      ARG   2  -6.815   0.337  -3.529
   17    H    CYS   3           H        CYS   3  -2.466  -3.692   2.929
   18    HA   CYS   3           HA       CYS   3  -1.054  -1.228   2.226
   19    HB2  CYS   3          2HB       CYS   3  -0.321  -3.374   4.232
   20    HB3  CYS   3          1HB       CYS   3   0.710  -2.015   3.791
   21    H    THR   4           H        THR   4   0.466  -1.336   0.706
   22    HA   THR   4           HA       THR   4   0.744  -3.869  -0.658
   23    HB   THR   4           HB       THR   4   1.733  -2.419  -2.448
   24    HG1  THR   4          1HG       THR   4   1.968  -0.355  -2.136
   25   HG21  THR   4          1HG2      THR   4  -0.637  -3.031  -2.489
   26   HG22  THR   4          2HG2      THR   4  -0.412  -1.385  -3.086
   27   HG23  THR   4          3HG2      THR   4  -1.017  -1.657  -1.453
   28    H    LYS   5           H        LYS   5   2.653  -4.962  -0.782
   29    HA   LYS   5           HA       LYS   5   4.946  -3.750   0.521
   30    HB2  LYS   5          2HB       LYS   5   4.667  -6.544  -0.626
   31    HB3  LYS   5          1HB       LYS   5   6.004  -5.939   0.338
   32    HG2  LYS   5          2HG       LYS   5   4.469  -5.653   2.242
   33    HG3  LYS   5          1HG       LYS   5   3.179  -6.367   1.272
   34    HD2  LYS   5          2HD       LYS   5   4.563  -8.396   1.001
   35    HD3  LYS   5          1HD       LYS   5   5.770  -7.681   2.070
   36    HE2  LYS   5          2HE       LYS   5   4.440  -9.165   3.377
   37    HE3  LYS   5          1HE       LYS   5   4.006  -7.518   3.820
   38    HZ1  LYS   5          1HZ       LYS   5   2.053  -7.711   2.342
   39    HZ2  LYS   5          2HZ       LYS   5   2.036  -8.818   3.588
   40    HZ3  LYS   5          3HZ       LYS   5   2.449  -9.329   2.044
   41    H    SER   6           H        SER   6   5.356  -2.228  -0.957
   42    HA   SER   6           HA       SER   6   6.793  -2.996  -3.309
   43    HB2  SER   6          2HB       SER   6   5.316  -1.435  -4.685
   44    HB3  SER   6          1HB       SER   6   4.576  -2.972  -4.235
   45    HG   SER   6           HG       SER   6   3.259  -1.080  -3.917
   46    H    ILE   7           H        ILE   7   7.183  -0.511  -4.381
   47    HA   ILE   7           HA       ILE   7   7.701   1.137  -2.068
   48    HB   ILE   7           HB       ILE   7   9.652   2.120  -3.320
   49   HG12  ILE   7          2HG1      ILE   7   9.333  -0.339  -5.066
   50   HG13  ILE   7          1HG1      ILE   7   9.054   1.317  -5.583
   51   HG21  ILE   7          1HG2      ILE   7   9.994   0.598  -1.480
   52   HG22  ILE   7          2HG2      ILE   7  11.191   0.279  -2.738
   53   HG23  ILE   7          3HG2      ILE   7   9.801  -0.788  -2.553
   54   HD11  ILE   7          1HD1      ILE   7  11.674   0.158  -4.683
   55   HD12  ILE   7          2HD1      ILE   7  11.409   1.823  -5.199
   56   HD13  ILE   7          3HD1      ILE   7  11.208   0.500  -6.348
   57    HA   PRO   8           HA       PRO   8   7.304   2.732  -1.185
   58    HB2  PRO   8          2HB       PRO   8   5.567   4.564  -0.356
   59    HB3  PRO   8          1HB       PRO   8   7.025   5.040  -1.234
   60    HG2  PRO   8          2HG       PRO   8   4.217   4.816  -2.213
   61    HG3  PRO   8          1HG       PRO   8   5.436   6.046  -2.579
   62    HD2  PRO   8          2HD       PRO   8   4.818   3.877  -4.202
   63    HD3  PRO   8          1HD       PRO   8   6.325   4.810  -4.267
   64    HA   PRO   9           HA       PRO   9   3.986  -0.010   0.043
   65    HB2  PRO   9          2HB       PRO   9   4.315   0.114   2.763
   66    HB3  PRO   9          1HB       PRO   9   5.352  -0.850   1.710
   67    HG2  PRO   9          2HG       PRO   9   5.844   1.839   2.906
   68    HG3  PRO   9          1HG       PRO   9   6.969   0.487   2.687
   69    HD2  PRO   9          2HD       PRO   9   6.923   2.651   1.053
   70    HD3  PRO   9          1HD       PRO   9   7.385   1.032   0.495
   71    H    ARG  10           H        ARG  10   1.990   0.771  -0.229
   72    HA   ARG  10           HA       ARG  10   1.234   3.122   1.329
   73    HB2  ARG  10          2HB       ARG  10   0.264   2.195  -1.372
   74    HB3  ARG  10          1HB       ARG  10  -0.497   3.487  -0.453
   75    HG2  ARG  10          2HG       ARG  10   1.560   4.776  -0.526
   76    HG3  ARG  10          1HG       ARG  10   2.359   3.472  -1.401
   77    HD2  ARG  10          2HD       ARG  10   0.827   3.761  -3.265
   78    HD3  ARG  10          1HD       ARG  10  -0.049   5.007  -2.376
   79    HE   ARG  10           HE       ARG  10   2.411   5.993  -2.370
   80   HH11  ARG  10          1HH1      ARG  10   0.478   4.705  -5.056
   81   HH12  ARG  10          2HH1      ARG  10   1.205   5.682  -6.235
   82   HH21  ARG  10          1HH2      ARG  10   3.394   7.365  -4.028
   83   HH22  ARG  10          2HH2      ARG  10   2.908   7.209  -5.645
   84    H    CYS  11           H        CYS  11  -0.566   3.110   2.473
   85    HA   CYS  11           HA       CYS  11  -2.003   0.578   2.590
   86    HB2  CYS  11          2HB       CYS  11  -1.437   2.565   4.788
   87    HB3  CYS  11          1HB       CYS  11  -2.537   1.198   4.945
   88    H    PHE  12           H        PHE  12  -3.872   0.688   1.840
   89    HA   PHE  12           HA       PHE  12  -5.185   3.220   1.406
   90    HB2  PHE  12          2HB       PHE  12  -5.976   0.392   0.672
   91    HB3  PHE  12          1HB       PHE  12  -6.876   1.833   0.213
   92    HD1  PHE  12          1HD       PHE  12  -6.083   3.307  -1.503
   93    HD2  PHE  12          2HD       PHE  12  -3.795  -0.094  -0.341
   94    HE1  PHE  12          1HE       PHE  12  -4.694   3.558  -3.505
   95    HE2  PHE  12          2HE       PHE  12  -2.400   0.157  -2.343
   96    HZ   PHE  12           HZ       PHE  12  -2.844   1.982  -3.932
   97    HA   PRO  13           HA       PRO  13  -7.541   3.399   5.080
   98    HB2  PRO  13          2HB       PRO  13  -9.962   4.287   4.058
   99    HB3  PRO  13          1HB       PRO  13  -8.575   5.310   4.435
  100    HG2  PRO  13          2HG       PRO  13  -9.414   4.153   1.811
  101    HG3  PRO  13          1HG       PRO  13  -8.797   5.777   2.171
  102    HD2  PRO  13          2HD       PRO  13  -7.222   3.948   1.072
  103    HD3  PRO  13          1HD       PRO  13  -6.594   5.027   2.337
  104    H    ASP  14           H        ASP  14  -8.667   1.325   2.547
  105    HA   ASP  14           HA       ASP  14 -10.816   0.254   4.176
  106    HB2  ASP  14          2HB       ASP  14 -11.417  -1.132   2.348
  107    HB3  ASP  14          1HB       ASP  14 -10.909   0.381   1.622
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -7.706  -0.362   3.993
    2    HA2  GLY   1          2HA       GLY   1  -6.911  -1.747   5.674
    3    HA3  GLY   1          1HA       GLY   1  -8.055  -2.978   5.164
    4    H    ARG   2           H        ARG   2  -5.488  -1.287   3.392
    5    HA   ARG   2           HA       ARG   2  -4.032  -3.780   3.234
    6    HB2  ARG   2          2HB       ARG   2  -3.831  -3.717   0.816
    7    HB3  ARG   2          1HB       ARG   2  -5.521  -3.873   1.289
    8    HG2  ARG   2          2HG       ARG   2  -5.946  -1.591   0.777
    9    HG3  ARG   2          1HG       ARG   2  -4.226  -1.270   0.554
   10    HD2  ARG   2          2HD       ARG   2  -4.199  -2.766  -1.355
   11    HD3  ARG   2          1HD       ARG   2  -5.922  -3.081  -1.153
   12    HE   ARG   2           HE       ARG   2  -6.062  -0.554  -1.369
   13   HH11  ARG   2          1HH1      ARG   2  -3.953  -2.727  -3.208
   14   HH12  ARG   2          2HH1      ARG   2  -3.770  -1.666  -4.531
   15   HH21  ARG   2          1HH2      ARG   2  -5.828   0.885  -3.227
   16   HH22  ARG   2          2HH2      ARG   2  -4.875   0.382  -4.572
   17    H    CYS   3           H        CYS   3  -1.888  -3.473   2.869
   18    HA   CYS   3           HA       CYS   3  -0.982  -0.746   2.362
   19    HB2  CYS   3          2HB       CYS   3   0.323  -2.777   4.207
   20    HB3  CYS   3          1HB       CYS   3   0.881  -1.136   3.898
   21    H    THR   4           H        THR   4   0.496  -0.625   0.734
   22    HA   THR   4           HA       THR   4   0.788  -2.917  -0.870
   23    HB   THR   4           HB       THR   4   2.305  -1.348  -2.227
   24    HG1  THR   4          1HG       THR   4   2.632   0.593  -1.478
   25   HG21  THR   4          1HG2      THR   4   0.367  -0.061  -3.051
   26   HG22  THR   4          2HG2      THR   4  -0.542  -0.542  -1.613
   27   HG23  THR   4          3HG2      THR   4  -0.042  -1.755  -2.783
   28    H    LYS   5           H        LYS   5   2.362  -4.295  -1.068
   29    HA   LYS   5           HA       LYS   5   4.570  -4.214   0.792
   30    HB2  LYS   5          2HB       LYS   5   3.402  -6.336   0.389
   31    HB3  LYS   5          1HB       LYS   5   3.798  -6.236  -1.319
   32    HG2  LYS   5          2HG       LYS   5   6.138  -6.533  -0.847
   33    HG3  LYS   5          1HG       LYS   5   5.836  -6.459   0.883
   34    HD2  LYS   5          2HD       LYS   5   6.164  -8.752   0.291
   35    HD3  LYS   5          1HD       LYS   5   4.468  -8.529   0.672
   36    HE2  LYS   5          2HE       LYS   5   5.563  -8.583  -2.146
   37    HE3  LYS   5          1HE       LYS   5   4.974 -10.008  -1.313
   38    HZ1  LYS   5          1HZ       LYS   5   2.783  -8.778  -1.117
   39    HZ2  LYS   5          2HZ       LYS   5   3.229  -9.260  -2.638
   40    HZ3  LYS   5          3HZ       LYS   5   3.401  -7.654  -2.226
   41    H    SER   6           H        SER   6   3.921  -3.635  -2.553
   42    HA   SER   6           HA       SER   6   6.681  -3.437  -3.258
   43    HB2  SER   6          2HB       SER   6   5.608  -2.541  -5.411
   44    HB3  SER   6          1HB       SER   6   5.259  -4.219  -4.989
   45    HG   SER   6           HG       SER   6   3.441  -2.778  -5.621
   46    H    ILE   7           H        ILE   7   7.680  -1.437  -3.821
   47    HA   ILE   7           HA       ILE   7   6.872   0.658  -2.065
   48    HB   ILE   7           HB       ILE   7   8.849   1.906  -2.869
   49   HG12  ILE   7          2HG1      ILE   7   9.337  -0.480  -4.676
   50   HG13  ILE   7          1HG1      ILE   7   8.787   1.098  -5.226
   51   HG21  ILE   7          1HG2      ILE   7  10.567   0.349  -2.043
   52   HG22  ILE   7          2HG2      ILE   7   9.410  -0.975  -2.170
   53   HG23  ILE   7          3HG2      ILE   7   9.121   0.341  -1.033
   54   HD11  ILE   7          1HD1      ILE   7  11.155   0.785  -5.612
   55   HD12  ILE   7          2HD1      ILE   7  11.410   0.500  -3.889
   56   HD13  ILE   7          3HD1      ILE   7  10.876   2.084  -4.453
   57    HA   PRO   8           HA       PRO   8   7.031   2.769  -1.773
   58    HB2  PRO   8          2HB       PRO   8   4.858   4.634  -1.575
   59    HB3  PRO   8          1HB       PRO   8   6.571   4.964  -1.850
   60    HG2  PRO   8          2HG       PRO   8   4.578   5.389  -3.710
   61    HG3  PRO   8          1HG       PRO   8   6.297   5.189  -4.087
   62    HD2  PRO   8          2HD       PRO   8   4.076   3.194  -4.237
   63    HD3  PRO   8          1HD       PRO   8   5.449   3.444  -5.339
   64    HA   PRO   9           HA       PRO   9   3.984   0.247   0.422
   65    HB2  PRO   9          2HB       PRO   9   5.390   1.058   2.879
   66    HB3  PRO   9          1HB       PRO   9   5.226  -0.553   2.176
   67    HG2  PRO   9          2HG       PRO   9   7.570   0.757   2.182
   68    HG3  PRO   9          1HG       PRO   9   7.094  -0.315   0.853
   69    HD2  PRO   9          2HD       PRO   9   6.990   2.672   1.012
   70    HD3  PRO   9          1HD       PRO   9   7.534   1.621  -0.317
   71    H    ARG  10           H        ARG  10   2.087   1.266   0.453
   72    HA   ARG  10           HA       ARG  10   1.695   3.472   2.351
   73    HB2  ARG  10          2HB       ARG  10   0.498   3.155  -0.400
   74    HB3  ARG  10          1HB       ARG  10   0.037   4.395   0.750
   75    HG2  ARG  10          2HG       ARG  10   2.301   5.325   0.648
   76    HG3  ARG  10          1HG       ARG  10   2.761   4.068  -0.500
   77    HD2  ARG  10          2HD       ARG  10   2.238   6.149  -1.658
   78    HD3  ARG  10          1HD       ARG  10   1.075   4.891  -2.072
   79    HE   ARG  10           HE       ARG  10   0.213   6.467   0.120
   80   HH11  ARG  10          1HH1      ARG  10   0.401   6.480  -3.432
   81   HH12  ARG  10          2HH1      ARG  10  -0.902   7.535  -3.642
   82   HH21  ARG  10          1HH2      ARG  10  -1.627   7.965  -0.198
   83   HH22  ARG  10          2HH2      ARG  10  -2.065   8.383  -1.780
   84    H    CYS  11           H        CYS  11  -0.147   3.338   3.557
   85    HA   CYS  11           HA       CYS  11  -1.730   0.917   3.241
   86    HB2  CYS  11          2HB       CYS  11  -1.415   2.798   5.579
   87    HB3  CYS  11          1HB       CYS  11  -2.541   1.446   5.566
   88    H    PHE  12           H        PHE  12  -3.596   0.979   2.399
   89    HA   PHE  12           HA       PHE  12  -4.886   3.532   1.820
   90    HB2  PHE  12          2HB       PHE  12  -5.167   0.759   0.639
   91    HB3  PHE  12          1HB       PHE  12  -6.205   2.097   0.178
   92    HD1  PHE  12          1HD       PHE  12  -5.395   3.872  -1.222
   93    HD2  PHE  12          2HD       PHE  12  -2.781   0.748   0.025
   94    HE1  PHE  12          1HE       PHE  12  -3.744   4.588  -2.895
   95    HE2  PHE  12          2HE       PHE  12  -1.131   1.463  -1.647
   96    HZ   PHE  12           HZ       PHE  12  -1.611   3.384  -3.110
   97    HA   PRO  13           HA       PRO  13  -8.124   2.907   4.709
   98    HB2  PRO  13          2HB       PRO  13 -10.315   3.925   3.577
   99    HB3  PRO  13          1HB       PRO  13  -8.919   4.940   3.958
  100    HG2  PRO  13          2HG       PRO  13  -9.714   3.728   1.338
  101    HG3  PRO  13          1HG       PRO  13  -9.165   5.377   1.682
  102    HD2  PRO  13          2HD       PRO  13  -7.546   3.455   0.688
  103    HD3  PRO  13          1HD       PRO  13  -6.955   4.768   1.719
  104    H    ASP  14           H        ASP  14  -8.121   0.862   2.127
  105    HA   ASP  14           HA       ASP  14 -10.649  -0.363   2.914
  106    HB2  ASP  14          2HB       ASP  14 -10.504  -1.715   0.896
  107    HB3  ASP  14          1HB       ASP  14 -10.314  -0.020   0.489
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.385  -0.294   3.801
    2    HA2  GLY   1          2HA       GLY   1  -6.505  -1.353   5.739
    3    HA3  GLY   1          1HA       GLY   1  -7.736  -2.602   5.558
    4    H    ARG   2           H        ARG   2  -5.037  -1.227   3.718
    5    HA   ARG   2           HA       ARG   2  -3.952  -3.838   3.231
    6    HB2  ARG   2          2HB       ARG   2  -5.827  -3.576   1.572
    7    HB3  ARG   2          1HB       ARG   2  -4.973  -2.197   0.915
    8    HG2  ARG   2          2HG       ARG   2  -3.109  -3.647   0.292
    9    HG3  ARG   2          1HG       ARG   2  -3.969  -5.033   0.970
   10    HD2  ARG   2          2HD       ARG   2  -4.824  -3.325  -1.363
   11    HD3  ARG   2          1HD       ARG   2  -4.308  -5.009  -1.412
   12    HE   ARG   2           HE       ARG   2  -6.774  -4.048  -0.109
   13   HH11  ARG   2          1HH1      ARG   2  -5.067  -6.566  -1.978
   14   HH12  ARG   2          2HH1      ARG   2  -6.432  -7.575  -2.108
   15   HH21  ARG   2          1HH2      ARG   2  -8.639  -5.483  -0.344
   16   HH22  ARG   2          2HH2      ARG   2  -8.460  -6.964  -1.176
   17    H    CYS   3           H        CYS   3  -1.814  -3.485   3.320
   18    HA   CYS   3           HA       CYS   3  -0.793  -0.868   2.463
   19    HB2  CYS   3          2HB       CYS   3   0.478  -2.914   4.311
   20    HB3  CYS   3          1HB       CYS   3   1.225  -1.405   3.802
   21    H    THR   4           H        THR   4   0.573  -0.770   0.796
   22    HA   THR   4           HA       THR   4   0.696  -3.048  -0.857
   23    HB   THR   4           HB       THR   4   1.995  -1.587  -2.400
   24    HG1  THR   4          1HG       THR   4   3.050  -0.097  -1.408
   25   HG21  THR   4          1HG2      THR   4   0.182  -0.011  -2.833
   26   HG22  THR   4          2HG2      THR   4  -0.471  -0.307  -1.222
   27   HG23  THR   4          3HG2      THR   4  -0.465  -1.600  -2.420
   28    H    LYS   5           H        LYS   5   2.240  -4.413  -1.238
   29    HA   LYS   5           HA       LYS   5   4.576  -4.455   0.430
   30    HB2  LYS   5          2HB       LYS   5   5.076  -6.574  -0.877
   31    HB3  LYS   5          1HB       LYS   5   3.590  -6.573   0.060
   32    HG2  LYS   5          2HG       LYS   5   2.296  -6.158  -1.952
   33    HG3  LYS   5          1HG       LYS   5   3.778  -6.092  -2.910
   34    HD2  LYS   5          2HD       LYS   5   4.235  -8.388  -2.455
   35    HD3  LYS   5          1HD       LYS   5   2.909  -8.480  -1.296
   36    HE2  LYS   5          2HE       LYS   5   2.317  -9.502  -3.435
   37    HE3  LYS   5          1HE       LYS   5   1.301  -8.106  -3.083
   38    HZ1  LYS   5          1HZ       LYS   5   3.652  -8.082  -4.902
   39    HZ2  LYS   5          2HZ       LYS   5   2.580  -6.811  -4.677
   40    HZ3  LYS   5          3HZ       LYS   5   2.066  -8.227  -5.385
   41    H    SER   6           H        SER   6   3.697  -3.432  -2.730
   42    HA   SER   6           HA       SER   6   6.392  -3.249  -3.636
   43    HB2  SER   6          2HB       SER   6   5.215  -1.996  -5.536
   44    HB3  SER   6          1HB       SER   6   4.798  -3.696  -5.321
   45    HG   SER   6           HG       SER   6   3.025  -2.219  -5.624
   46    H    ILE   7           H        ILE   7   7.638  -1.506  -3.556
   47    HA   ILE   7           HA       ILE   7   7.099   0.578  -1.692
   48    HB   ILE   7           HB       ILE   7   9.318   0.257  -3.737
   49   HG12  ILE   7          2HG1      ILE   7   9.294  -1.592  -2.158
   50   HG13  ILE   7          1HG1      ILE   7  10.697  -0.571  -1.874
   51   HG21  ILE   7          1HG2      ILE   7  10.642   1.826  -2.429
   52   HG22  ILE   7          2HG2      ILE   7   9.290   2.074  -1.335
   53   HG23  ILE   7          3HG2      ILE   7   9.162   2.587  -3.020
   54   HD11  ILE   7          1HD1      ILE   7   9.719  -1.305   0.209
   55   HD12  ILE   7          2HD1      ILE   7   8.159  -0.636  -0.254
   56   HD13  ILE   7          3HD1      ILE   7   9.526   0.440   0.039
   57    HA   PRO   8           HA       PRO   8   7.302   2.652  -1.193
   58    HB2  PRO   8          2HB       PRO   8   5.637   4.719  -0.707
   59    HB3  PRO   8          1HB       PRO   8   7.158   4.926  -1.580
   60    HG2  PRO   8          2HG       PRO   8   4.376   4.740  -2.644
   61    HG3  PRO   8          1HG       PRO   8   5.707   5.785  -3.165
   62    HD2  PRO   8          2HD       PRO   8   4.959   3.453  -4.432
   63    HD3  PRO   8          1HD       PRO   8   6.571   4.183  -4.543
   64    HA   PRO   9           HA       PRO   9   3.926   0.261   0.513
   65    HB2  PRO   9          2HB       PRO   9   4.759   1.140   3.180
   66    HB3  PRO   9          1HB       PRO   9   4.802  -0.479   2.476
   67    HG2  PRO   9          2HG       PRO   9   7.043   0.943   2.967
   68    HG3  PRO   9          1HG       PRO   9   6.908  -0.193   1.613
   69    HD2  PRO   9          2HD       PRO   9   6.708   2.788   1.615
   70    HD3  PRO   9          1HD       PRO   9   7.509   1.697   0.458
   71    H    ARG  10           H        ARG  10   2.092   1.294   0.038
   72    HA   ARG  10           HA       ARG  10   1.287   3.596   1.660
   73    HB2  ARG  10          2HB       ARG  10   0.169   2.625  -0.967
   74    HB3  ARG  10          1HB       ARG  10  -0.310   4.080  -0.111
   75    HG2  ARG  10          2HG       ARG  10   1.982   4.957  -0.412
   76    HG3  ARG  10          1HG       ARG  10   2.363   3.528  -1.374
   77    HD2  ARG  10          2HD       ARG  10   1.803   5.318  -2.865
   78    HD3  ARG  10          1HD       ARG  10   0.497   4.138  -2.894
   79    HE   ARG  10           HE       ARG  10  -0.026   6.118  -0.967
   80   HH11  ARG  10          1HH1      ARG  10  -0.113   5.617  -4.479
   81   HH12  ARG  10          2HH1      ARG  10  -1.274   6.839  -4.738
   82   HH21  ARG  10          1HH2      ARG  10  -1.582   7.773  -1.346
   83   HH22  ARG  10          2HH2      ARG  10  -2.109   8.101  -2.940
   84    H    CYS  11           H        CYS  11  -0.522   3.397   2.904
   85    HA   CYS  11           HA       CYS  11  -1.836   0.787   2.823
   86    HB2  CYS  11          2HB       CYS  11  -1.510   2.728   5.123
   87    HB3  CYS  11          1HB       CYS  11  -2.333   1.177   5.209
   88    H    PHE  12           H        PHE  12  -3.772   0.864   2.024
   89    HA   PHE  12           HA       PHE  12  -5.025   3.469   1.700
   90    HB2  PHE  12          2HB       PHE  12  -5.610   0.801   0.406
   91    HB3  PHE  12          1HB       PHE  12  -6.494   2.275   0.039
   92    HD1  PHE  12          1HD       PHE  12  -4.930   4.332  -0.604
   93    HD2  PHE  12          2HD       PHE  12  -3.848   0.229  -0.963
   94    HE1  PHE  12          1HE       PHE  12  -3.231   4.932  -2.277
   95    HE2  PHE  12          2HE       PHE  12  -2.149   0.825  -2.636
   96    HZ   PHE  12           HZ       PHE  12  -1.835   3.173  -3.295
   97    HA   PRO  13           HA       PRO  13  -8.198   3.196   4.713
   98    HB2  PRO  13          2HB       PRO  13 -10.499   3.708   3.261
   99    HB3  PRO  13          1HB       PRO  13  -9.388   4.936   3.872
  100    HG2  PRO  13          2HG       PRO  13  -9.525   3.694   1.152
  101    HG3  PRO  13          1HG       PRO  13  -9.293   5.395   1.595
  102    HD2  PRO  13          2HD       PRO  13  -7.223   3.942   0.834
  103    HD3  PRO  13          1HD       PRO  13  -7.063   5.052   2.208
  104    H    ASP  14           H        ASP  14  -8.336   0.999   2.078
  105    HA   ASP  14           HA       ASP  14 -10.666  -0.413   2.994
  106    HB2  ASP  14          2HB       ASP  14 -10.259  -1.957   1.240
  107    HB3  ASP  14          1HB       ASP  14  -9.884  -0.370   0.586
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -7.207   0.076   4.480
    2    HA2  GLY   1          2HA       GLY   1  -5.792  -0.977   6.069
    3    HA3  GLY   1          1HA       GLY   1  -7.050  -2.163   6.368
    4    H    ARG   2           H        ARG   2  -5.520  -1.103   3.352
    5    HA   ARG   2           HA       ARG   2  -4.409  -3.806   3.088
    6    HB2  ARG   2          2HB       ARG   2  -5.850  -2.273   0.919
    7    HB3  ARG   2          1HB       ARG   2  -4.925  -3.739   0.650
    8    HG2  ARG   2          2HG       ARG   2  -6.446  -4.977   2.087
    9    HG3  ARG   2          1HG       ARG   2  -7.353  -3.496   2.399
   10    HD2  ARG   2          2HD       ARG   2  -8.481  -4.808   0.719
   11    HD3  ARG   2          1HD       ARG   2  -7.857  -3.326   0.007
   12    HE   ARG   2           HE       ARG   2  -5.930  -5.271  -0.363
   13   HH11  ARG   2          1HH1      ARG   2  -9.259  -4.698  -1.410
   14   HH12  ARG   2          2HH1      ARG   2  -9.061  -5.513  -2.896
   15   HH21  ARG   2          1HH2      ARG   2  -5.676  -6.375  -2.325
   16   HH22  ARG   2          2HH2      ARG   2  -6.960  -6.510  -3.451
   17    H    CYS   3           H        CYS   3  -2.284  -3.650   2.889
   18    HA   CYS   3           HA       CYS   3  -1.180  -1.254   1.576
   19    HB2  CYS   3          2HB       CYS   3   0.147  -3.020   3.649
   20    HB3  CYS   3          1HB       CYS   3   0.857  -1.601   2.893
   21    H    THR   4           H        THR   4   0.005  -1.559  -0.200
   22    HA   THR   4           HA       THR   4   0.446  -4.233  -1.169
   23    HB   THR   4           HB       THR   4   1.400  -3.000  -3.147
   24    HG1  THR   4          1HG       THR   4   2.107  -1.080  -2.447
   25   HG21  THR   4          1HG2      THR   4  -1.346  -2.100  -2.244
   26   HG22  THR   4          2HG2      THR   4  -0.981  -3.603  -3.091
   27   HG23  THR   4          3HG2      THR   4  -0.751  -2.054  -3.905
   28    H    LYS   5           H        LYS   5   2.540  -5.147  -1.465
   29    HA   LYS   5           HA       LYS   5   4.574  -3.969   0.221
   30    HB2  LYS   5          2HB       LYS   5   4.738  -6.483  -1.458
   31    HB3  LYS   5          1HB       LYS   5   5.932  -5.939  -0.292
   32    HG2  LYS   5          2HG       LYS   5   4.234  -6.182   1.492
   33    HG3  LYS   5          1HG       LYS   5   3.130  -6.839   0.280
   34    HD2  LYS   5          2HD       LYS   5   4.768  -8.623  -0.199
   35    HD3  LYS   5          1HD       LYS   5   5.796  -7.988   1.080
   36    HE2  LYS   5          2HE       LYS   5   4.513  -9.875   1.903
   37    HE3  LYS   5          1HE       LYS   5   4.014  -8.389   2.711
   38    HZ1  LYS   5          1HZ       LYS   5   2.133  -9.793   2.043
   39    HZ2  LYS   5          2HZ       LYS   5   2.576  -9.612   0.417
   40    HZ3  LYS   5          3HZ       LYS   5   2.089  -8.278   1.314
   41    H    SER   6           H        SER   6   4.733  -2.113  -0.983
   42    HA   SER   6           HA       SER   6   6.419  -2.364  -3.350
   43    HB2  SER   6          2HB       SER   6   5.217  -0.218  -4.063
   44    HB3  SER   6          1HB       SER   6   4.280  -1.711  -4.162
   45    HG   SER   6           HG       SER   6   4.088   0.444  -2.387
   46    H    ILE   7           H        ILE   7   7.427  -0.030  -3.706
   47    HA   ILE   7           HA       ILE   7   8.193   1.054  -1.106
   48    HB   ILE   7           HB       ILE   7   9.935   0.949  -3.607
   49   HG12  ILE   7          2HG1      ILE   7  11.511  -0.424  -2.102
   50   HG13  ILE   7          1HG1      ILE   7  10.133  -0.630  -1.032
   51   HG21  ILE   7          1HG2      ILE   7  10.342   2.964  -2.373
   52   HG22  ILE   7          2HG2      ILE   7  11.726   1.886  -2.205
   53   HG23  ILE   7          3HG2      ILE   7  10.571   2.055  -0.881
   54   HD11  ILE   7          1HD1      ILE   7   8.917  -1.715  -2.818
   55   HD12  ILE   7          2HD1      ILE   7  10.435  -2.565  -2.471
   56   HD13  ILE   7          3HD1      ILE   7  10.294  -1.515  -3.894
   57    HA   PRO   8           HA       PRO   8   7.430   2.424  -0.050
   58    HB2  PRO   8          2HB       PRO   8   5.603   4.234   0.682
   59    HB3  PRO   8          1HB       PRO   8   7.273   4.711   0.356
   60    HG2  PRO   8          2HG       PRO   8   4.849   5.011  -1.359
   61    HG3  PRO   8          1HG       PRO   8   6.202   6.130  -1.124
   62    HD2  PRO   8          2HD       PRO   8   5.923   4.353  -3.272
   63    HD3  PRO   8          1HD       PRO   8   7.442   5.121  -2.773
   64    HA   PRO   9           HA       PRO   9   3.734  -0.157  -0.142
   65    HB2  PRO   9          2HB       PRO   9   3.292   0.588   2.696
   66    HB3  PRO   9          1HB       PRO   9   3.525  -1.015   1.987
   67    HG2  PRO   9          2HG       PRO   9   5.463   0.094   3.420
   68    HG3  PRO   9          1HG       PRO   9   5.830  -0.798   1.931
   69    HD2  PRO   9          2HD       PRO   9   5.662   2.164   2.350
   70    HD3  PRO   9          1HD       PRO   9   6.886   1.210   1.483
   71    H    ARG  10           H        ARG  10   1.763   0.375  -0.877
   72    HA   ARG  10           HA       ARG  10   0.699   2.974  -0.121
   73    HB2  ARG  10          2HB       ARG  10  -0.131   1.080  -2.331
   74    HB3  ARG  10          1HB       ARG  10  -0.808   2.678  -2.048
   75    HG2  ARG  10          2HG       ARG  10   2.049   2.080  -2.813
   76    HG3  ARG  10          1HG       ARG  10   0.794   2.710  -3.882
   77    HD2  ARG  10          2HD       ARG  10   1.871   4.094  -1.417
   78    HD3  ARG  10          1HD       ARG  10   2.286   4.490  -3.079
   79    HE   ARG  10           HE       ARG  10  -0.412   4.623  -3.020
   80   HH11  ARG  10          1HH1      ARG  10   2.143   6.253  -1.116
   81   HH12  ARG  10          2HH1      ARG  10   1.233   7.663  -0.901
   82   HH21  ARG  10          1HH2      ARG  10  -1.616   6.571  -2.684
   83   HH22  ARG  10          2HH2      ARG  10  -0.936   7.849  -1.786
   84    H    CYS  11           H        CYS  11  -0.584   2.953   1.512
   85    HA   CYS  11           HA       CYS  11  -2.099   0.531   2.086
   86    HB2  CYS  11          2HB       CYS  11  -1.317   2.829   3.872
   87    HB3  CYS  11          1HB       CYS  11  -2.315   1.462   4.359
   88    H    PHE  12           H        PHE  12  -4.047   0.539   1.518
   89    HA   PHE  12           HA       PHE  12  -5.518   2.933   0.932
   90    HB2  PHE  12          2HB       PHE  12  -6.317   0.011   0.883
   91    HB3  PHE  12          1HB       PHE  12  -7.331   1.333   0.321
   92    HD1  PHE  12          1HD       PHE  12  -6.875   2.455  -1.760
   93    HD2  PHE  12          2HD       PHE  12  -4.340  -0.681  -0.386
   94    HE1  PHE  12          1HE       PHE  12  -5.843   2.306  -3.987
   95    HE2  PHE  12          2HE       PHE  12  -3.311  -0.828  -2.610
   96    HZ   PHE  12           HZ       PHE  12  -4.061   0.668  -4.412
   97    HA   PRO  13           HA       PRO  13  -7.347   3.841   4.874
   98    HB2  PRO  13          2HB       PRO  13  -9.870   3.855   3.279
   99    HB3  PRO  13          1HB       PRO  13  -9.279   5.034   4.452
  100    HG2  PRO  13          2HG       PRO  13  -9.070   5.488   1.832
  101    HG3  PRO  13          1HG       PRO  13  -7.798   5.988   2.956
  102    HD2  PRO  13          2HD       PRO  13  -7.790   3.797   0.965
  103    HD3  PRO  13          1HD       PRO  13  -6.440   4.704   1.664
  104    H    ASP  14           H        ASP  14  -8.889   1.336   2.916
  105    HA   ASP  14           HA       ASP  14 -10.390   0.334   5.153
  106    HB2  ASP  14          2HB       ASP  14 -11.204  -1.436   3.707
  107    HB3  ASP  14          1HB       ASP  14 -11.299   0.108   2.875
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -7.531  -0.400   3.915
    2    HA2  GLY   1          2HA       GLY   1  -6.401  -1.786   5.404
    3    HA3  GLY   1          1HA       GLY   1  -7.549  -3.076   5.053
    4    H    ARG   2           H        ARG   2  -5.394  -1.068   3.155
    5    HA   ARG   2           HA       ARG   2  -4.195  -3.497   2.082
    6    HB2  ARG   2          2HB       ARG   2  -5.906  -2.815   0.479
    7    HB3  ARG   2          1HB       ARG   2  -5.230  -1.199   0.425
    8    HG2  ARG   2          2HG       ARG   2  -4.582  -2.443  -1.542
    9    HG3  ARG   2          1HG       ARG   2  -3.164  -2.102  -0.552
   10    HD2  ARG   2          2HD       ARG   2  -3.130  -4.391  -1.415
   11    HD3  ARG   2          1HD       ARG   2  -3.234  -4.372   0.343
   12    HE   ARG   2           HE       ARG   2  -5.807  -4.480  -0.796
   13   HH11  ARG   2          1HH1      ARG   2  -2.981  -6.536  -0.192
   14   HH12  ARG   2          2HH1      ARG   2  -3.836  -7.992  -0.235
   15   HH21  ARG   2          1HH2      ARG   2  -7.024  -6.474  -0.755
   16   HH22  ARG   2          2HH2      ARG   2  -6.228  -7.955  -0.517
   17    H    CYS   3           H        CYS   3  -2.214  -3.242   2.848
   18    HA   CYS   3           HA       CYS   3  -0.883  -0.702   2.320
   19    HB2  CYS   3          2HB       CYS   3  -0.064  -3.035   4.072
   20    HB3  CYS   3          1HB       CYS   3   0.857  -1.548   3.865
   21    H    THR   4           H        THR   4   0.628  -0.669   0.764
   22    HA   THR   4           HA       THR   4   0.846  -3.015  -0.824
   23    HB   THR   4           HB       THR   4   2.314  -1.468  -2.231
   24    HG1  THR   4          1HG       THR   4   2.612   0.500  -1.549
   25   HG21  THR   4          1HG2      THR   4  -0.032  -1.948  -2.760
   26   HG22  THR   4          2HG2      THR   4   0.336  -0.257  -3.098
   27   HG23  THR   4          3HG2      THR   4  -0.550  -0.693  -1.638
   28    H    LYS   5           H        LYS   5   2.427  -4.446  -0.781
   29    HA   LYS   5           HA       LYS   5   4.631  -4.036   1.034
   30    HB2  LYS   5          2HB       LYS   5   5.266  -6.332   0.577
   31    HB3  LYS   5          1HB       LYS   5   3.541  -6.261   0.842
   32    HG2  LYS   5          2HG       LYS   5   3.120  -6.458  -1.531
   33    HG3  LYS   5          1HG       LYS   5   4.854  -6.417  -1.863
   34    HD2  LYS   5          2HD       LYS   5   5.121  -8.471  -0.495
   35    HD3  LYS   5          1HD       LYS   5   3.371  -8.527  -0.290
   36    HE2  LYS   5          2HE       LYS   5   4.063 -10.045  -2.058
   37    HE3  LYS   5          1HE       LYS   5   3.107  -8.721  -2.721
   38    HZ1  LYS   5          1HZ       LYS   5   5.157  -7.655  -3.440
   39    HZ2  LYS   5          2HZ       LYS   5   5.032  -9.181  -4.097
   40    HZ3  LYS   5          3HZ       LYS   5   6.073  -8.908  -2.803
   41    H    SER   6           H        SER   6   3.969  -3.623  -2.257
   42    HA   SER   6           HA       SER   6   6.690  -3.537  -3.094
   43    HB2  SER   6          2HB       SER   6   5.482  -2.734  -5.213
   44    HB3  SER   6          1HB       SER   6   5.172  -4.386  -4.682
   45    HG   SER   6           HG       SER   6   3.534  -2.129  -4.611
   46    H    ILE   7           H        ILE   7   7.716  -1.586  -3.670
   47    HA   ILE   7           HA       ILE   7   6.899   0.604  -2.064
   48    HB   ILE   7           HB       ILE   7   8.840   1.836  -2.783
   49   HG12  ILE   7          2HG1      ILE   7   8.837   1.225  -5.225
   50   HG13  ILE   7          1HG1      ILE   7  10.425   1.148  -4.488
   51   HG21  ILE   7          1HG2      ILE   7  10.635   0.303  -2.133
   52   HG22  ILE   7          2HG2      ILE   7   9.504  -1.040  -2.292
   53   HG23  ILE   7          3HG2      ILE   7   9.218   0.214  -1.086
   54   HD11  ILE   7          1HD1      ILE   7  10.208  -1.304  -4.379
   55   HD12  ILE   7          2HD1      ILE   7  10.111  -0.672  -6.021
   56   HD13  ILE   7          3HD1      ILE   7   8.643  -1.176  -5.188
   57    HA   PRO   8           HA       PRO   8   7.068   2.684  -1.813
   58    HB2  PRO   8          2HB       PRO   8   4.877   4.589  -1.759
   59    HB3  PRO   8          1HB       PRO   8   6.610   4.907  -1.864
   60    HG2  PRO   8          2HG       PRO   8   4.903   5.401  -3.920
   61    HG3  PRO   8          1HG       PRO   8   6.601   4.954  -4.155
   62    HD2  PRO   8          2HD       PRO   8   4.156   3.220  -4.304
   63    HD3  PRO   8          1HD       PRO   8   5.539   3.306  -5.421
   64    HA   PRO   9           HA       PRO   9   3.964   0.259   0.422
   65    HB2  PRO   9          2HB       PRO   9   5.352   1.033   2.884
   66    HB3  PRO   9          1HB       PRO   9   5.200  -0.568   2.157
   67    HG2  PRO   9          2HG       PRO   9   7.541   0.771   2.213
   68    HG3  PRO   9          1HG       PRO   9   7.098  -0.319   0.888
   69    HD2  PRO   9          2HD       PRO   9   6.991   2.668   1.002
   70    HD3  PRO   9          1HD       PRO   9   7.536   1.591  -0.307
   71    H    ARG  10           H        ARG  10   2.097   1.320   0.427
   72    HA   ARG  10           HA       ARG  10   1.712   3.469   2.396
   73    HB2  ARG  10          2HB       ARG  10   0.585   3.296  -0.403
   74    HB3  ARG  10          1HB       ARG  10   0.130   4.500   0.794
   75    HG2  ARG  10          2HG       ARG  10   2.361   5.405   0.804
   76    HG3  ARG  10          1HG       ARG  10   2.916   4.128  -0.277
   77    HD2  ARG  10          2HD       ARG  10   1.429   4.943  -2.007
   78    HD3  ARG  10          1HD       ARG  10   0.842   6.204  -0.924
   79    HE   ARG  10           HE       ARG  10   3.411   6.743  -0.896
   80   HH11  ARG  10          1HH1      ARG  10   1.361   5.948  -3.653
   81   HH12  ARG  10          2HH1      ARG  10   2.262   6.834  -4.782
   82   HH21  ARG  10          1HH2      ARG  10   4.685   7.969  -2.447
   83   HH22  ARG  10          2HH2      ARG  10   4.218   7.996  -4.075
   84    H    CYS  11           H        CYS  11  -0.451   3.551   3.274
   85    HA   CYS  11           HA       CYS  11  -1.855   1.003   2.959
   86    HB2  CYS  11          2HB       CYS  11  -1.538   2.683   5.441
   87    HB3  CYS  11          1HB       CYS  11  -2.589   1.277   5.323
   88    H    PHE  12           H        PHE  12  -3.730   1.081   2.194
   89    HA   PHE  12           HA       PHE  12  -5.172   3.598   1.956
   90    HB2  PHE  12          2HB       PHE  12  -5.571   0.904   0.624
   91    HB3  PHE  12          1HB       PHE  12  -6.510   2.348   0.275
   92    HD1  PHE  12          1HD       PHE  12  -5.598   4.148  -1.019
   93    HD2  PHE  12          2HD       PHE  12  -3.230   0.732  -0.104
   94    HE1  PHE  12          1HE       PHE  12  -3.943   4.842  -2.701
   95    HE2  PHE  12          2HE       PHE  12  -1.576   1.423  -1.783
   96    HZ   PHE  12           HZ       PHE  12  -1.931   3.482  -3.084
   97    HA   PRO  13           HA       PRO  13  -8.097   2.819   5.139
   98    HB2  PRO  13          2HB       PRO  13 -10.491   3.478   3.928
   99    HB3  PRO  13          1HB       PRO  13  -9.349   4.629   4.624
  100    HG2  PRO  13          2HG       PRO  13  -9.718   3.803   1.778
  101    HG3  PRO  13          1HG       PRO  13  -9.387   5.411   2.445
  102    HD2  PRO  13          2HD       PRO  13  -7.457   3.965   1.287
  103    HD3  PRO  13          1HD       PRO  13  -7.124   4.977   2.706
  104    H    ASP  14           H        ASP  14  -8.562   1.063   2.190
  105    HA   ASP  14           HA       ASP  14 -10.710  -0.569   3.231
  106    HB2  ASP  14          2HB       ASP  14 -10.580  -1.839   1.197
  107    HB3  ASP  14          1HB       ASP  14 -10.400  -0.143   0.770
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -7.270  -0.473   4.064
    2    HA2  GLY   1          2HA       GLY   1  -6.178  -1.937   5.644
    3    HA3  GLY   1          1HA       GLY   1  -7.397  -3.145   5.285
    4    H    ARG   2           H        ARG   2  -5.492  -1.204   3.034
    5    HA   ARG   2           HA       ARG   2  -4.149  -3.670   2.198
    6    HB2  ARG   2          2HB       ARG   2  -5.435  -1.653   0.361
    7    HB3  ARG   2          1HB       ARG   2  -4.240  -2.814  -0.177
    8    HG2  ARG   2          2HG       ARG   2  -5.749  -4.634   0.510
    9    HG3  ARG   2          1HG       ARG   2  -6.944  -3.415   0.971
   10    HD2  ARG   2          2HD       ARG   2  -7.393  -4.319  -1.273
   11    HD3  ARG   2          1HD       ARG   2  -7.031  -2.593  -1.312
   12    HE   ARG   2           HE       ARG   2  -4.728  -4.237  -1.717
   13   HH11  ARG   2          1HH1      ARG   2  -7.521  -2.895  -3.438
   14   HH12  ARG   2          2HH1      ARG   2  -6.717  -2.767  -4.931
   15   HH21  ARG   2          1HH2      ARG   2  -3.624  -4.045  -3.754
   16   HH22  ARG   2          2HH2      ARG   2  -4.435  -3.411  -5.112
   17    H    CYS   3           H        CYS   3  -2.083  -3.291   2.750
   18    HA   CYS   3           HA       CYS   3  -0.974  -0.709   1.920
   19    HB2  CYS   3          2HB       CYS   3   0.220  -2.753   3.835
   20    HB3  CYS   3          1HB       CYS   3   0.928  -1.212   3.397
   21    H    THR   4           H        THR   4   0.524  -0.698   0.328
   22    HA   THR   4           HA       THR   4   0.751  -3.013  -1.246
   23    HB   THR   4           HB       THR   4   2.406  -1.622  -2.544
   24    HG1  THR   4          1HG       THR   4   3.285  -0.081  -1.480
   25   HG21  THR   4          1HG2      THR   4  -0.203  -0.266  -1.846
   26   HG22  THR   4          2HG2      THR   4   0.016  -1.519  -3.070
   27   HG23  THR   4          3HG2      THR   4   0.768   0.062  -3.280
   28    H    LYS   5           H        LYS   5   2.318  -4.540  -1.300
   29    HA   LYS   5           HA       LYS   5   4.366  -4.424   0.732
   30    HB2  LYS   5          2HB       LYS   5   3.527  -6.595  -1.205
   31    HB3  LYS   5          1HB       LYS   5   4.982  -6.739  -0.238
   32    HG2  LYS   5          2HG       LYS   5   3.237  -7.970   0.849
   33    HG3  LYS   5          1HG       LYS   5   3.568  -6.537   1.810
   34    HD2  LYS   5          2HD       LYS   5   1.591  -5.443   0.791
   35    HD3  LYS   5          1HD       LYS   5   1.257  -6.930  -0.096
   36    HE2  LYS   5          2HE       LYS   5  -0.147  -6.813   1.888
   37    HE3  LYS   5          1HE       LYS   5   1.011  -8.130   2.042
   38    HZ1  LYS   5          1HZ       LYS   5   1.322  -5.447   3.285
   39    HZ2  LYS   5          2HZ       LYS   5   2.340  -6.774   3.531
   40    HZ3  LYS   5          3HZ       LYS   5   0.751  -6.812   4.076
   41    H    SER   6           H        SER   6   3.923  -3.569  -2.420
   42    HA   SER   6           HA       SER   6   6.670  -3.498  -3.184
   43    HB2  SER   6          2HB       SER   6   5.403  -2.150  -5.075
   44    HB3  SER   6          1HB       SER   6   5.245  -3.906  -4.981
   45    HG   SER   6           HG       SER   6   3.306  -2.175  -4.928
   46    H    ILE   7           H        ILE   7   7.823  -1.468  -3.310
   47    HA   ILE   7           HA       ILE   7   6.773   0.495  -1.437
   48    HB   ILE   7           HB       ILE   7   9.052   1.499  -1.447
   49   HG12  ILE   7          2HG1      ILE   7   9.777  -0.857  -3.218
   50   HG13  ILE   7          1HG1      ILE   7   9.723   0.827  -3.726
   51   HG21  ILE   7          1HG2      ILE   7   8.476  -0.137   0.239
   52   HG22  ILE   7          2HG2      ILE   7  10.166  -0.325  -0.228
   53   HG23  ILE   7          3HG2      ILE   7   8.953  -1.450  -0.837
   54   HD11  ILE   7          1HD1      ILE   7  12.001   0.086  -3.337
   55   HD12  ILE   7          2HD1      ILE   7  11.590  -0.344  -1.676
   56   HD13  ILE   7          3HD1      ILE   7  11.542   1.343  -2.188
   57    HA   PRO   8           HA       PRO   8   7.286   2.693  -0.884
   58    HB2  PRO   8          2HB       PRO   8   5.215   4.689  -1.175
   59    HB3  PRO   8          1HB       PRO   8   6.930   4.924  -0.836
   60    HG2  PRO   8          2HG       PRO   8   5.735   5.672  -3.179
   61    HG3  PRO   8          1HG       PRO   8   7.449   5.255  -3.036
   62    HD2  PRO   8          2HD       PRO   8   5.170   3.595  -4.033
   63    HD3  PRO   8          1HD       PRO   8   6.828   3.725  -4.657
   64    HA   PRO   9           HA       PRO   9   3.731   0.443   0.561
   65    HB2  PRO   9          2HB       PRO   9   3.850   1.042   3.203
   66    HB3  PRO   9          1HB       PRO   9   4.971  -0.088   2.439
   67    HG2  PRO   9          2HG       PRO   9   5.357   2.794   3.130
   68    HG3  PRO   9          1HG       PRO   9   6.483   1.439   3.330
   69    HD2  PRO   9          2HD       PRO   9   6.664   3.209   1.286
   70    HD3  PRO   9          1HD       PRO   9   7.140   1.507   1.119
   71    H    ARG  10           H        ARG  10   2.015   1.494  -0.317
   72    HA   ARG  10           HA       ARG  10   0.977   3.861   1.069
   73    HB2  ARG  10          2HB       ARG  10   1.158   3.853  -1.430
   74    HB3  ARG  10          1HB       ARG  10   0.011   2.528  -1.465
   75    HG2  ARG  10          2HG       ARG  10  -1.268   4.427  -1.967
   76    HG3  ARG  10          1HG       ARG  10  -1.605   4.103  -0.273
   77    HD2  ARG  10          2HD       ARG  10   0.442   6.118  -1.215
   78    HD3  ARG  10          1HD       ARG  10  -1.228   6.529  -0.883
   79    HE   ARG  10           HE       ARG  10  -0.377   5.399   1.439
   80   HH11  ARG  10          1HH1      ARG  10   0.947   8.020  -0.572
   81   HH12  ARG  10          2HH1      ARG  10   1.530   8.907   0.751
   82   HH21  ARG  10          1HH2      ARG  10   0.459   6.665   3.245
   83   HH22  ARG  10          2HH2      ARG  10   1.277   8.123   2.929
   84    H    CYS  11           H        CYS  11  -0.422   3.438   2.652
   85    HA   CYS  11           HA       CYS  11  -1.890   0.949   2.580
   86    HB2  CYS  11          2HB       CYS  11  -1.466   2.973   4.776
   87    HB3  CYS  11          1HB       CYS  11  -2.484   1.551   4.933
   88    H    PHE  12           H        PHE  12  -3.748   0.928   1.774
   89    HA   PHE  12           HA       PHE  12  -5.316   3.330   1.459
   90    HB2  PHE  12          2HB       PHE  12  -5.852   0.463   0.608
   91    HB3  PHE  12          1HB       PHE  12  -6.810   1.861   0.139
   92    HD1  PHE  12          1HD       PHE  12  -3.764  -0.037  -0.470
   93    HD2  PHE  12          2HD       PHE  12  -5.877   3.539  -1.418
   94    HE1  PHE  12          1HE       PHE  12  -2.308   0.302  -2.423
   95    HE2  PHE  12          2HE       PHE  12  -4.420   3.880  -3.370
   96    HZ   PHE  12           HZ       PHE  12  -2.634   2.265  -3.876
   97    HA   PRO  13           HA       PRO  13  -7.350   2.958   5.290
   98    HB2  PRO  13          2HB       PRO  13  -9.857   3.886   4.616
   99    HB3  PRO  13          1HB       PRO  13  -8.449   4.899   4.946
  100    HG2  PRO  13          2HG       PRO  13  -9.567   3.994   2.331
  101    HG3  PRO  13          1HG       PRO  13  -8.937   5.584   2.782
  102    HD2  PRO  13          2HD       PRO  13  -7.467   3.897   1.337
  103    HD3  PRO  13          1HD       PRO  13  -6.719   4.900   2.597
  104    H    ASP  14           H        ASP  14  -8.525   1.065   2.707
  105    HA   ASP  14           HA       ASP  14 -10.561  -0.220   4.318
  106    HB2  ASP  14          2HB       ASP  14 -10.981  -1.654   2.381
  107    HB3  ASP  14          1HB       ASP  14 -10.985   0.044   1.923