*HEADER    DE NOVO PROTEIN                         10-FEB-05   1YT6              
*TITLE     NMR STRUCTURE OF PEPTIDE SD                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE SD;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    GIBBERELLIN, MIMIC, STD-NMR                                           
*EXPDTA    NMR, 50 STRUCTURES                                                    
*AUTHOR    T.MURATA, H.HEMMI, S.NAKAMURA, K.SHIMIZU, Y.SUZUKI,                   
*AUTHOR   2 I.YAMAGUCHI                                                          
*REVDAT   1   27-SEP-05 1YT6    0                                                

!NOEs

assign (residue 1 and name HA) (residue 2 and name HN) 2.0 0.2 1.0
assign (residue 1 and name HB#) (residue 2 and name HN) 2.0 0.2 3.0
assign (residue 2 and name HA) (residue 3 and name HN) 2.0 0.2 1.0
assign (residue 2 and name HB1) (residue 2 and name HN) 2.0 0.2 1.0 
assign (residue 2 and name HB2) (residue 2 and name HN) 2.0 0.2 2.0
assign (residue 2 and name HB1) (residue 3 and name HN) 2.0 0.2 2.0
assign (residue 2 and name HB2) (residue 3 and name HN) 2.0 0.2 2.0
assign (residue 3 and name HN) (residue 6 and name HB#) 2.0 0.2 4.0
assign (residue 3 and name HA) (residue 4 and name HD#) 2.0 0.2 4.0
assign (residue 3 and name HA) (residue 6 and name HN) 2.0 0.2 3.0
assign (residue 3 and name HB1) (residue 3 and name HN) 2.0 0.2 3.0
assign (residue 3 and name HB2) (residue 3 and name HN) 2.0 0.2 2.0
assign (residue 3 and name HB1) (residue 4 and name HD#) 2.0 0.2 4.0
assign (residue 3 and name HB1) (residue 5 and name HN) 2.0 0.2 4.0
assign (residue 3 and name HB2) (residue 6 and name HN) 2.0 0.2 3.0
assign (residue 3 and name HB2) (residue 6 and name HB#) 2.0 0.2 4.0
assign (residue 3 and name HB2) (residue 7 and name HN) 2.0 0.2 4.0
assign (residue 3 and name HD#) (residue 3 and name HN) 2.0 0.2 4.7
assign (residue 3 and name HD#) (residue 5 and name HE1) 2.0 0.2 5.4
assign (residue 3 and name HD#) (residue 5 and name HZ2) 2.0 0.2 5.4
assign (residue 3 and name HD1#) (residue 7 and name HA) 2.0 0.2 4.5
assign (residue 3 and name HD2#) (residue 7 and name HA) 2.0 0.2 4.5
assign (residue 3 and name HG) (residue 3 and name HN) 2.0 0.2 2.0
assign (residue 4 and name HA) (residue 5 and name HN) 2.0 0.2 2.0
assign (residue 4 and name HB#) (residue 5 and name HN) 2.0 0.2 4.0
assign (residue 4 and name HB#) (residue 5 and name HD1) 2.0 0.2 4.0
assign (residue 4 and name HB#) (residue 5 and name HE3) 2.0 0.2 4.0
assign (residue 4 and name HD#) (residue 3 and name HB1) 2.0 0.2 4.0
assign (residue 4 and name HD#) (residue 3 and name HD#) 2.0 0.2 6.4
assign (residue 4 and name HD#) (residue 5 and name HD1) 2.0 0.2 4.0
assign (residue 4 and name HD#) (residue 5 and name HE3) 2.0 0.2 4.0
assign (residue 5 and name HA) (residue 6 and name HN) 2.0 0.2 2.0
assign (residue 5 and name HB#) (residue 5 and name HN) 2.0 0.2 3.0
assign (residue 5 and name HB#) (residue 6 and name HN) 2.0 0.2 3.0
assign (residue 5 and name HN) (residue 6 and name HN) 2.0 0.2 2.0
assign (residue 6 and name HA) (residue 7 and name HN) 2.0 0.2 1.0
assign (residue 6 and name HB#) (residue 6 and name HN) 2.0 0.2 3.0
assign (residue 6 and name HB#) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 6 and name HN) (residue 7 and name HN) 2.0 0.2 2.0
assign (residue 7 and name HA) (residue 8 and name HN) 2.0 0.2 3.0
assign (residue 7 and name HB#) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 7 and name HB#) (residue 8 and name HN) 2.0 0.2 4.0
assign (residue 8 and name HA#) (residue 9 and name HD#) 2.0 0.2 3.0
assign (residue 8 and name HN) (residue 7 and name HN) 2.0 0.2 2.0
assign (residue 8 and name HN) (residue 9 and name HD#) 2.0 0.2 4.0
assign (residue 9 and name HA) (residue 10 and name HN) 2.0 0.2 1.0
assign (residue 9 and name HB#) (residue 10 and name HN) 2.0 0.2 4.0
assign (residue 10 and name HB1) (residue 10 and name HN) 2.0 0.2 2.0
assign (residue 10 and name HB2) (residue 10 and name HN) 2.0 0.2 2.0

!H-bond
assign (resid    3 and  name O    )(resid    6 and  name N    ) 3.0 0.3 0.4
assign (resid    3 and  name O    )(resid    6 and  name HN   ) 2.0 0.3 0.4
assign (resid    7 and  name O    )(resid    3 and  name N    ) 3.0 0.3 0.4
assign (resid    7 and  name O    )(resid    3 and  name HN   ) 2.0 0.3 0.4

!dihedral

assign  (resid  1 and name c)(resid  2 and name n)
        (resid  2 and name ca)(resid  2 and name c) 1.0 -100.0 80.0 2
assign (resid 2 and name n)(resid 2 and name ca)
        (resid 2 and name cb)(resid 2 and name sg) 1.0  -60.0 60.0  2 

assign  (resid  2 and name c)(resid  3 and name n)
        (resid  3 and name ca)(resid  3 and name c) 1.0 -100.0 80.0 2  
assign (resid 3 and name n)(resid 3 and name ca)
        (resid 3 and name cb)(resid 3 and name cg) 1.0  -60.0 60.0  2

assign  (resid  4 and name c)(resid  5 and name n)
        (resid  5 and name ca)(resid  5 and name c) 1.0 -100.0 80.0 2  

assign  (resid  6 and name c)(resid  7 and name n)
        (resid  7 and name ca)(resid  7 and name c) 1.0 -100.0 80.0 2

assign  (resid  9 and name c)(resid 10 and name n)
        (resid 10 and name ca)(resid 10 and name c) 1.0 -100.0 80.0 2
assign (resid 10 and name n)(resid 10 and name ca)
        (resid 10 and name cb)(resid 10 and name sg) 1.0  -60.0 60.0  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1   4.519   6.237   2.297
    2   2H    ALA   1           HT2      ALA   1   3.982   5.342   0.935
    3   3H    ALA   1           HT3      ALA   1   4.884   4.567   2.173
    4    HA   ALA   1           HA       ALA   1   3.182   4.634   3.658
    5   1HB   ALA   1          HB1       ALA   1   2.653   7.026   3.233
    6   2HB   ALA   1          HB2       ALA   1   1.229   6.010   3.456
    7   3HB   ALA   1          HB3       ALA   1   1.702   6.524   1.836
    8    H    CYS   2           HN       CYS   2   2.444   2.635   3.473
    9    HA   CYS   2           HA       CYS   2   2.038   1.055   1.385
   10   1HB   CYS   2          HB2       CYS   2  -0.178   0.477   3.075
   11   2HB   CYS   2          HB1       CYS   2   1.379  -0.321   2.985
   12    H    LEU   3           HN       LEU   3   0.313   0.379   0.043
   13    HA   LEU   3           HA       LEU   3  -1.521   2.556  -0.627
   14   1HB   LEU   3          HB2       LEU   3  -0.945   0.024  -2.162
   15   2HB   LEU   3          HB1       LEU   3  -1.850   1.410  -2.739
   16    HG   LEU   3           HG       LEU   3   0.926   1.949  -1.867
   17   1HD1  LEU   3          HD11      LEU   3   0.624  -0.287  -3.363
   18   2HD1  LEU   3          HD12      LEU   3   2.033   0.771  -3.424
   19   3HD1  LEU   3          HD13      LEU   3   0.748   0.944  -4.620
   20   1HD2  LEU   3          HD21      LEU   3   0.640   3.099  -4.261
   21   2HD2  LEU   3          HD22      LEU   3   0.054   3.835  -2.769
   22   3HD2  LEU   3          HD23      LEU   3  -1.060   2.955  -3.814
   23    HA   PRO   4           HA       PRO   4  -5.179   0.719   0.996
   24   1HB   PRO   4          HB2       PRO   4  -6.463   1.272  -1.626
   25   2HB   PRO   4          HB1       PRO   4  -6.944   1.788  -0.006
   26   1HG   PRO   4          HG2       PRO   4  -5.839   3.511  -1.709
   27   2HG   PRO   4          HG1       PRO   4  -5.444   3.556   0.020
   28   1HD   PRO   4          HD2       PRO   4  -3.849   2.467  -2.265
   29   2HD   PRO   4          HD1       PRO   4  -3.302   3.363  -0.832
   30    H    TRP   5           HN       TRP   5  -4.872  -0.029  -2.481
   31    HA   TRP   5           HA       TRP   5  -5.887  -2.717  -1.977
   32   1HB   TRP   5          HB2       TRP   5  -5.433  -2.718  -4.641
   33   2HB   TRP   5          HB1       TRP   5  -6.924  -2.139  -3.909
   34    HD1  TRP   5           HD1      TRP   5  -7.672   0.082  -4.900
   35    HE1  TRP   5           HE1      TRP   5  -6.517   2.154  -5.898
   36    HE3  TRP   5           HE3      TRP   5  -2.797  -1.358  -4.351
   37    HZ2  TRP   5           HZ2      TRP   5  -3.888   3.058  -6.389
   38    HZ3  TRP   5           HZ3      TRP   5  -1.023   0.167  -5.110
   39    HH2  TRP   5           HH2      TRP   5  -1.559   2.330  -6.108
   40    H    SER   6           HN       SER   6  -3.011  -1.445  -1.548
   41    HA   SER   6           HA       SER   6  -1.624  -3.911  -1.871
   42   1HB   SER   6          HB2       SER   6  -0.839  -1.614  -3.684
   43   2HB   SER   6          HB1       SER   6   0.116  -3.076  -3.436
   44    HG   SER   6           HG       SER   6  -1.434  -2.931  -5.312
   45    H    ASP   7           HN       ASP   7  -1.847  -2.944   0.434
   46    HA   ASP   7           HA       ASP   7  -0.488  -0.803   1.419
   47   1HB   ASP   7          HB2       ASP   7   0.028  -2.426   3.437
   48   2HB   ASP   7          HB1       ASP   7  -1.620  -1.926   3.076
   49    H    GLY   8           HN       GLY   8   1.017  -4.043   1.555
   50   1HA   GLY   8          HA2       GLY   8   3.175  -4.675   0.987
   51   2HA   GLY   8          HA1       GLY   8   3.470  -3.040   0.413
   52    HA   PRO   9           HA       PRO   9   5.859  -3.561   4.344
   53   1HB   PRO   9          HB2       PRO   9   8.116  -2.354   3.467
   54   2HB   PRO   9          HB1       PRO   9   7.775  -4.062   3.168
   55   1HG   PRO   9          HG2       PRO   9   7.417  -1.712   1.348
   56   2HG   PRO   9          HG1       PRO   9   8.080  -3.317   0.985
   57   1HD   PRO   9          HD2       PRO   9   5.533  -2.602   0.371
   58   2HD   PRO   9          HD1       PRO   9   5.994  -4.268   0.775
   59    H    CYS  10           HN       CYS  10   4.490  -2.065   5.382
   60    HA   CYS  10           HA       CYS  10   4.464   0.707   4.800
   61   1HB   CYS  10          HB2       CYS  10   3.696  -0.755   7.335
   62   2HB   CYS  10          HB1       CYS  10   3.322   0.930   6.988
  Start of MODEL    2
    1   1H    ALA   1           HT1      ALA   1   4.569   6.439   2.185
    2   2H    ALA   1           HT2      ALA   1   4.396   5.469   0.779
    3   3H    ALA   1           HT3      ALA   1   5.151   4.826   2.180
    4    HA   ALA   1           HA       ALA   1   3.184   4.818   3.373
    5   1HB   ALA   1          HB1       ALA   1   2.188   6.871   2.793
    6   2HB   ALA   1          HB2       ALA   1   1.062   5.630   2.244
    7   3HB   ALA   1          HB3       ALA   1   2.111   6.443   1.083
    8    H    CYS   2           HN       CYS   2   1.200   3.432   2.913
    9    HA   CYS   2           HA       CYS   2   2.012   1.296   1.134
   10   1HB   CYS   2          HB2       CYS   2   0.701   1.482   3.625
   11   2HB   CYS   2          HB1       CYS   2  -0.450   0.793   2.503
   12    H    LEU   3           HN       LEU   3   0.411   0.228  -0.221
   13    HA   LEU   3           HA       LEU   3  -0.931   2.093  -1.912
   14   1HB   LEU   3          HB2       LEU   3  -0.247  -0.731  -1.915
   15   2HB   LEU   3          HB1       LEU   3  -1.832  -0.436  -2.604
   16    HG   LEU   3           HG       LEU   3  -0.513   1.432  -3.948
   17   1HD1  LEU   3          HD11      LEU   3   1.716   0.953  -4.425
   18   2HD1  LEU   3          HD12      LEU   3   1.620  -0.658  -3.715
   19   3HD1  LEU   3          HD13      LEU   3   1.604   0.766  -2.675
   20   1HD2  LEU   3          HD21      LEU   3  -0.471  -1.504  -4.631
   21   2HD2  LEU   3          HD22      LEU   3  -0.273  -0.175  -5.775
   22   3HD2  LEU   3          HD23      LEU   3  -1.804  -0.387  -4.924
   23    HA   PRO   4           HA       PRO   4  -5.149   2.040  -0.610
   24   1HB   PRO   4          HB2       PRO   4  -6.041   0.603  -3.041
   25   2HB   PRO   4          HB1       PRO   4  -6.507   2.198  -2.445
   26   1HG   PRO   4          HG2       PRO   4  -4.914   1.935  -4.573
   27   2HG   PRO   4          HG1       PRO   4  -4.664   3.237  -3.392
   28   1HD   PRO   4          HD2       PRO   4  -3.178   0.656  -3.715
   29   2HD   PRO   4          HD1       PRO   4  -2.554   2.278  -3.344
   30    H    TRP   5           HN       TRP   5  -3.935  -0.984  -1.913
   31    HA   TRP   5           HA       TRP   5  -5.818  -2.473  -0.220
   32   1HB   TRP   5          HB2       TRP   5  -4.384  -4.327  -1.760
   33   2HB   TRP   5          HB1       TRP   5  -6.047  -3.808  -2.000
   34    HD1  TRP   5           HD1      TRP   5  -2.510  -3.244  -3.351
   35    HE1  TRP   5           HE1      TRP   5  -2.681  -2.112  -5.655
   36    HE3  TRP   5           HE3      TRP   5  -7.533  -2.306  -3.420
   37    HZ2  TRP   5           HZ2      TRP   5  -4.683  -0.972  -7.287
   38    HZ3  TRP   5           HZ3      TRP   5  -8.498  -1.191  -5.389
   39    HH2  TRP   5           HH2      TRP   5  -7.101  -0.538  -7.282
   40    H    SER   6           HN       SER   6  -3.173  -1.063   0.437
   41    HA   SER   6           HA       SER   6  -1.581  -1.342   2.029
   42   1HB   SER   6          HB2       SER   6  -1.836  -2.944   3.645
   43   2HB   SER   6          HB1       SER   6  -3.452  -2.941   2.940
   44    HG   SER   6           HG       SER   6  -1.883  -4.996   3.197
   45    H    ASP   7           HN       ASP   7  -0.934  -1.724  -0.624
   46    HA   ASP   7           HA       ASP   7   0.932  -3.970  -0.658
   47   1HB   ASP   7          HB2       ASP   7  -0.686  -3.333  -2.619
   48   2HB   ASP   7          HB1       ASP   7   0.529  -2.113  -2.980
   49    H    GLY   8           HN       GLY   8   2.606  -3.324   0.582
   50   1HA   GLY   8          HA2       GLY   8   4.740  -1.966  -0.361
   51   2HA   GLY   8          HA1       GLY   8   3.753  -0.680   0.320
   52    HA   PRO   9           HA       PRO   9   6.461  -2.179   3.741
   53   1HB   PRO   9          HB2       PRO   9   6.771   0.266   4.890
   54   2HB   PRO   9          HB1       PRO   9   7.788  -0.310   3.564
   55   1HG   PRO   9          HG2       PRO   9   5.424   1.524   3.480
   56   2HG   PRO   9          HG1       PRO   9   6.971   1.652   2.623
   57   1HD   PRO   9          HD2       PRO   9   4.723   0.727   1.433
   58   2HD   PRO   9          HD1       PRO   9   6.341   0.141   0.999
   59    H    CYS  10           HN       CYS  10   4.001  -2.954   3.994
   60    HA   CYS  10           HA       CYS  10   2.716  -1.485   6.176
   61   1HB   CYS  10          HB2       CYS  10   1.797  -3.399   4.105
   62   2HB   CYS  10          HB1       CYS  10   0.992  -3.493   5.667
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1  -2.694   4.060   5.676
    2   2H    ALA   1           HT2      ALA   1  -2.345   5.214   4.454
    3   3H    ALA   1           HT3      ALA   1  -1.073   4.531   5.382
    4    HA   ALA   1           HA       ALA   1  -1.862   2.332   4.492
    5   1HB   ALA   1          HB1       ALA   1  -2.945   2.475   2.295
    6   2HB   ALA   1          HB2       ALA   1  -3.107   4.220   2.497
    7   3HB   ALA   1          HB3       ALA   1  -3.968   3.123   3.576
    8    H    CYS   2           HN       CYS   2  -0.200   1.451   3.377
    9    HA   CYS   2           HA       CYS   2   1.862   3.203   2.434
   10   1HB   CYS   2          HB2       CYS   2   1.756   0.669   3.630
   11   2HB   CYS   2          HB1       CYS   2   2.466   0.458   2.043
   12    H    LEU   3           HN       LEU   3   0.838   0.218   1.110
   13    HA   LEU   3           HA       LEU   3   1.397   1.002  -1.574
   14   1HB   LEU   3          HB2       LEU   3   0.404  -1.438  -0.223
   15   2HB   LEU   3          HB1       LEU   3  -0.027  -1.256  -1.913
   16    HG   LEU   3           HG       LEU   3   2.447  -0.917  -2.377
   17   1HD1  LEU   3          HD11      LEU   3   2.668  -0.727   0.326
   18   2HD1  LEU   3          HD12      LEU   3   3.998  -1.096  -0.772
   19   3HD1  LEU   3          HD13      LEU   3   3.144  -2.402   0.049
   20   1HD2  LEU   3          HD21      LEU   3   2.200  -3.630  -1.261
   21   2HD2  LEU   3          HD22      LEU   3   2.603  -3.103  -2.895
   22   3HD2  LEU   3          HD23      LEU   3   0.920  -3.141  -2.371
   23    HA   PRO   4           HA       PRO   4  -2.358   2.789  -3.020
   24   1HB   PRO   4          HB2       PRO   4  -2.298   0.834  -5.261
   25   2HB   PRO   4          HB1       PRO   4  -2.358   2.600  -5.310
   26   1HG   PRO   4          HG2       PRO   4  -0.107   1.314  -5.897
   27   2HG   PRO   4          HG1       PRO   4  -0.071   2.818  -4.956
   28   1HD   PRO   4          HD2       PRO   4   0.211  -0.012  -4.022
   29   2HD   PRO   4          HD1       PRO   4   1.082   1.443  -3.492
   30    H    TRP   5           HN       TRP   5  -2.141  -0.716  -2.969
   31    HA   TRP   5           HA       TRP   5  -5.054  -0.880  -2.582
   32   1HB   TRP   5          HB2       TRP   5  -4.363  -3.454  -2.982
   33   2HB   TRP   5          HB1       TRP   5  -4.786  -2.358  -4.292
   34    HD1  TRP   5           HD1      TRP   5  -1.571  -3.559  -2.475
   35    HE1  TRP   5           HE1      TRP   5   0.322  -3.679  -4.214
   36    HE3  TRP   5           HE3      TRP   5  -4.088  -1.751  -6.535
   37    HZ2  TRP   5           HZ2      TRP   5   0.698  -3.083  -6.949
   38    HZ3  TRP   5           HZ3      TRP   5  -2.892  -1.555  -8.676
   39    HH2  TRP   5           HH2      TRP   5  -0.547  -2.206  -8.877
   40    H    SER   6           HN       SER   6  -3.188  -0.118  -0.522
   41    HA   SER   6           HA       SER   6  -2.788  -0.504   1.678
   42   1HB   SER   6          HB2       SER   6  -4.421  -1.612   2.916
   43   2HB   SER   6          HB1       SER   6  -5.301  -1.159   1.457
   44    HG   SER   6           HG       SER   6  -5.498  -3.197   0.948
   45    H    ASP   7           HN       ASP   7  -0.908  -1.304   2.267
   46    HA   ASP   7           HA       ASP   7  -0.403  -4.024   2.679
   47   1HB   ASP   7          HB2       ASP   7  -0.133  -3.351  -0.015
   48   2HB   ASP   7          HB1       ASP   7   1.518  -3.363   0.598
   49    H    GLY   8           HN       GLY   8   1.149  -4.157   4.171
   50   1HA   GLY   8          HA2       GLY   8   2.388  -1.904   5.251
   51   2HA   GLY   8          HA1       GLY   8   2.871  -3.563   5.562
   52    HA   PRO   9           HA       PRO   9   6.623  -3.375   3.269
   53   1HB   PRO   9          HB2       PRO   9   6.133  -4.835   0.928
   54   2HB   PRO   9          HB1       PRO   9   6.727  -5.487   2.456
   55   1HG   PRO   9          HG2       PRO   9   3.957  -5.456   1.356
   56   2HG   PRO   9          HG1       PRO   9   4.771  -6.699   2.325
   57   1HD   PRO   9          HD2       PRO   9   2.952  -5.067   3.409
   58   2HD   PRO   9          HD1       PRO   9   4.394  -5.568   4.318
   59    H    CYS  10           HN       CYS  10   6.377  -1.118   2.861
   60    HA   CYS  10           HA       CYS  10   5.071  -0.086   0.572
   61   1HB   CYS  10          HB2       CYS  10   6.588   0.943   2.790
   62   2HB   CYS  10          HB1       CYS  10   7.141   1.695   1.298
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1   1.617   6.311   1.907
    2   2H    ALA   1           HT2      ALA   1   2.906   6.161   3.030
    3   3H    ALA   1           HT3      ALA   1   1.454   6.953   3.487
    4    HA   ALA   1           HA       ALA   1   1.839   4.614   4.277
    5   1HB   ALA   1          HB1       ALA   1  -0.645   4.096   3.657
    6   2HB   ALA   1          HB2       ALA   1  -0.621   5.739   3.018
    7   3HB   ALA   1          HB3       ALA   1  -0.258   5.449   4.719
    8    H    CYS   2           HN       CYS   2   1.032   2.402   3.655
    9    HA   CYS   2           HA       CYS   2   2.483   1.355   1.578
   10   1HB   CYS   2          HB2       CYS   2   0.244  -0.355   1.974
   11   2HB   CYS   2          HB1       CYS   2   1.877  -0.513   2.583
   12    H    LEU   3           HN       LEU   3   0.928  -0.307   0.071
   13    HA   LEU   3           HA       LEU   3   0.265   1.223  -2.139
   14   1HB   LEU   3          HB2       LEU   3  -0.321  -1.558  -1.266
   15   2HB   LEU   3          HB1       LEU   3  -1.221  -0.931  -2.631
   16    HG   LEU   3           HG       LEU   3   1.085  -2.255  -2.892
   17   1HD1  LEU   3          HD11      LEU   3   0.055   0.023  -4.557
   18   2HD1  LEU   3          HD12      LEU   3  -0.254  -1.701  -4.758
   19   3HD1  LEU   3          HD13      LEU   3   1.353  -1.050  -5.079
   20   1HD2  LEU   3          HD21      LEU   3   2.050   0.577  -3.067
   21   2HD2  LEU   3          HD22      LEU   3   2.984  -0.919  -3.054
   22   3HD2  LEU   3          HD23      LEU   3   2.209  -0.350  -1.575
   23    HA   PRO   4           HA       PRO   4  -3.770   2.953  -1.847
   24   1HB   PRO   4          HB2       PRO   4  -4.711   1.055  -3.949
   25   2HB   PRO   4          HB1       PRO   4  -4.852   2.816  -3.878
   26   1HG   PRO   4          HG2       PRO   4  -3.062   1.672  -5.476
   27   2HG   PRO   4          HG1       PRO   4  -2.664   3.151  -4.581
   28   1HD   PRO   4          HD2       PRO   4  -1.836   0.333  -4.054
   29   2HD   PRO   4          HD1       PRO   4  -0.926   1.840  -3.822
   30    H    TRP   5           HN       TRP   5  -3.922  -0.563  -2.363
   31    HA   TRP   5           HA       TRP   5  -6.083  -0.699  -0.369
   32   1HB   TRP   5          HB2       TRP   5  -6.274  -3.104  -1.495
   33   2HB   TRP   5          HB1       TRP   5  -7.066  -1.693  -2.187
   34    HD1  TRP   5           HD1      TRP   5  -3.943  -3.894  -2.710
   35    HE1  TRP   5           HE1      TRP   5  -3.213  -3.684  -5.169
   36    HE3  TRP   5           HE3      TRP   5  -7.220  -0.274  -4.221
   37    HZ2  TRP   5           HZ2      TRP   5  -3.931  -2.179  -7.448
   38    HZ3  TRP   5           HZ3      TRP   5  -7.132   0.497  -6.556
   39    HH2  TRP   5           HH2      TRP   5  -5.520  -0.437  -8.135
   40    H    SER   6           HN       SER   6  -3.375  -0.480   0.395
   41    HA   SER   6           HA       SER   6  -1.885  -1.387   1.847
   42   1HB   SER   6          HB2       SER   6  -3.601  -1.930   3.351
   43   2HB   SER   6          HB1       SER   6  -4.261  -3.176   2.293
   44    HG   SER   6           HG       SER   6  -2.168  -3.302   4.099
   45    H    ASP   7           HN       ASP   7  -0.140  -2.117   0.849
   46    HA   ASP   7           HA       ASP   7   0.282  -4.859   0.389
   47   1HB   ASP   7          HB2       ASP   7  -0.811  -3.351  -1.852
   48   2HB   ASP   7          HB1       ASP   7   0.740  -4.088  -2.242
   49    H    GLY   8           HN       GLY   8   2.382  -5.164   0.720
   50   1HA   GLY   8          HA2       GLY   8   4.682  -4.796   0.206
   51   2HA   GLY   8          HA1       GLY   8   4.287  -3.140  -0.232
   52    HA   PRO   9           HA       PRO   9   6.115  -3.149   4.057
   53   1HB   PRO   9          HB2       PRO   9   7.907  -1.165   3.618
   54   2HB   PRO   9          HB1       PRO   9   8.255  -2.862   3.264
   55   1HG   PRO   9          HG2       PRO   9   7.408  -0.674   1.404
   56   2HG   PRO   9          HG1       PRO   9   8.648  -1.921   1.174
   57   1HD   PRO   9          HD2       PRO   9   6.168  -2.104   0.093
   58   2HD   PRO   9          HD1       PRO   9   7.104  -3.528   0.591
   59    H    CYS  10           HN       CYS  10   4.324  -2.272   5.045
   60    HA   CYS  10           HA       CYS  10   3.249   0.279   4.432
   61   1HB   CYS  10          HB2       CYS  10   2.903  -1.660   6.695
   62   2HB   CYS  10          HB1       CYS  10   2.205  -0.048   6.805
  Start of MODEL    5
    1   1H    ALA   1           HT1      ALA   1  -0.757   3.854   5.400
    2   2H    ALA   1           HT2      ALA   1   0.667   4.273   4.539
    3   3H    ALA   1           HT3      ALA   1   0.443   2.667   5.102
    4    HA   ALA   1           HA       ALA   1  -1.210   2.230   3.597
    5   1HB   ALA   1          HB1       ALA   1  -1.217   5.138   2.813
    6   2HB   ALA   1          HB2       ALA   1  -2.361   4.416   3.944
    7   3HB   ALA   1          HB3       ALA   1  -2.320   3.875   2.266
    8    H    CYS   2           HN       CYS   2   0.494   1.051   2.716
    9    HA   CYS   2           HA       CYS   2   2.424   2.316   1.032
   10   1HB   CYS   2          HB2       CYS   2   2.251  -0.069   2.497
   11   2HB   CYS   2          HB1       CYS   2   2.440  -0.515   0.813
   12    H    LEU   3           HN       LEU   3   0.626  -0.514   0.361
   13    HA   LEU   3           HA       LEU   3   0.568  -0.141  -2.427
   14   1HB   LEU   3          HB2       LEU   3  -0.679  -2.022  -0.512
   15   2HB   LEU   3          HB1       LEU   3  -1.460  -1.873  -2.075
   16    HG   LEU   3           HG       LEU   3   1.457  -2.551  -1.706
   17   1HD1  LEU   3          HD11      LEU   3   0.029  -4.309  -0.785
   18   2HD1  LEU   3          HD12      LEU   3   0.837  -4.836  -2.261
   19   3HD1  LEU   3          HD13      LEU   3  -0.865  -4.377  -2.304
   20   1HD2  LEU   3          HD21      LEU   3   1.347  -3.187  -4.056
   21   2HD2  LEU   3          HD22      LEU   3   0.917  -1.490  -3.842
   22   3HD2  LEU   3          HD23      LEU   3  -0.344  -2.692  -4.121
   23    HA   PRO   4           HA       PRO   4  -2.749   2.571  -3.375
   24   1HB   PRO   4          HB2       PRO   4  -3.909   0.390  -5.040
   25   2HB   PRO   4          HB1       PRO   4  -3.522   2.057  -5.479
   26   1HG   PRO   4          HG2       PRO   4  -1.962   0.053  -6.272
   27   2HG   PRO   4          HG1       PRO   4  -1.264   1.600  -5.755
   28   1HD   PRO   4          HD2       PRO   4  -1.396  -1.003  -4.300
   29   2HD   PRO   4          HD1       PRO   4  -0.111   0.222  -4.309
   30    H    TRP   5           HN       TRP   5  -3.881  -0.790  -2.951
   31    HA   TRP   5           HA       TRP   5  -6.140   0.283  -1.390
   32   1HB   TRP   5          HB2       TRP   5  -7.161  -2.059  -2.104
   33   2HB   TRP   5          HB1       TRP   5  -7.282  -0.647  -3.147
   34    HD1  TRP   5           HD1      TRP   5  -5.313  -3.937  -2.805
   35    HE1  TRP   5           HE1      TRP   5  -4.346  -4.544  -5.112
   36    HE3  TRP   5           HE3      TRP   5  -6.616   0.291  -5.369
   37    HZ2  TRP   5           HZ2      TRP   5  -4.161  -3.384  -7.679
   38    HZ3  TRP   5           HZ3      TRP   5  -6.006   0.462  -7.746
   39    HH2  TRP   5           HH2      TRP   5  -4.803  -1.338  -8.876
   40    H    SER   6           HN       SER   6  -3.380  -0.704  -0.597
   41    HA   SER   6           HA       SER   6  -4.214  -2.108   1.731
   42   1HB   SER   6          HB2       SER   6  -3.155  -4.210   1.377
   43   2HB   SER   6          HB1       SER   6  -4.116  -3.911  -0.070
   44    HG   SER   6           HG       SER   6  -1.899  -4.641  -0.420
   45    H    ASP   7           HN       ASP   7  -1.441  -3.326   1.877
   46    HA   ASP   7           HA       ASP   7   0.090  -0.852   2.262
   47   1HB   ASP   7          HB2       ASP   7   0.941  -1.685   4.371
   48   2HB   ASP   7          HB1       ASP   7  -0.818  -1.731   4.414
   49    H    GLY   8           HN       GLY   8   2.243  -2.724   3.426
   50   1HA   GLY   8          HA2       GLY   8   3.266  -4.673   2.009
   51   2HA   GLY   8          HA1       GLY   8   3.398  -3.386   0.821
   52    HA   PRO   9           HA       PRO   9   7.423  -2.999   2.806
   53   1HB   PRO   9          HB2       PRO   9   8.459  -1.207   1.057
   54   2HB   PRO   9          HB1       PRO   9   8.334  -2.933   0.696
   55   1HG   PRO   9          HG2       PRO   9   6.543  -0.687  -0.146
   56   2HG   PRO   9          HG1       PRO   9   7.148  -2.054  -1.101
   57   1HD   PRO   9          HD2       PRO   9   4.652  -1.996  -0.043
   58   2HD   PRO   9          HD1       PRO   9   5.565  -3.502  -0.263
   59    H    CYS  10           HN       CYS  10   5.688  -1.822   4.345
   60    HA   CYS  10           HA       CYS  10   6.726   0.901   4.685
   61   1HB   CYS  10          HB2       CYS  10   3.848   0.062   4.550
   62   2HB   CYS  10          HB1       CYS  10   4.318   1.449   5.526
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1   4.072   2.264  -1.185
    2   2H    ALA   1           HT2      ALA   1   4.733   3.844  -1.071
    3   3H    ALA   1           HT3      ALA   1   3.065   3.631  -1.417
    4    HA   ALA   1           HA       ALA   1   4.443   2.884   1.072
    5   1HB   ALA   1          HB1       ALA   1   3.739   4.821   2.009
    6   2HB   ALA   1          HB2       ALA   1   2.295   4.914   1.001
    7   3HB   ALA   1          HB3       ALA   1   3.862   5.387   0.343
    8    H    CYS   2           HN       CYS   2   3.113   1.982   2.663
    9    HA   CYS   2           HA       CYS   2   1.376   0.037   1.993
   10   1HB   CYS   2          HB2       CYS   2   0.435   1.047   4.477
   11   2HB   CYS   2          HB1       CYS   2   1.480  -0.321   4.162
   12    H    LEU   3           HN       LEU   3  -0.256   0.336   0.592
   13    HA   LEU   3           HA       LEU   3  -2.345   2.271   1.366
   14   1HB   LEU   3          HB2       LEU   3  -1.316   1.574  -1.372
   15   2HB   LEU   3          HB1       LEU   3  -2.866   2.354  -1.126
   16    HG   LEU   3           HG       LEU   3  -0.327   3.535  -0.038
   17   1HD1  LEU   3          HD11      LEU   3   0.188   4.578  -1.992
   18   2HD1  LEU   3          HD12      LEU   3  -1.472   4.536  -2.584
   19   3HD1  LEU   3          HD13      LEU   3  -0.479   3.080  -2.640
   20   1HD2  LEU   3          HD21      LEU   3  -2.858   4.169   0.511
   21   2HD2  LEU   3          HD22      LEU   3  -2.641   5.134  -0.949
   22   3HD2  LEU   3          HD23      LEU   3  -1.568   5.369   0.431
   23    HA   PRO   4           HA       PRO   4  -5.469  -0.821   1.388
   24   1HB   PRO   4          HB2       PRO   4  -6.941   0.704  -0.701
   25   2HB   PRO   4          HB1       PRO   4  -7.484   0.164   0.892
   26   1HG   PRO   4          HG2       PRO   4  -6.896   2.721   0.466
   27   2HG   PRO   4          HG1       PRO   4  -6.445   1.930   1.989
   28   1HD   PRO   4          HD2       PRO   4  -4.740   2.616  -0.372
   29   2HD   PRO   4          HD1       PRO   4  -4.359   2.709   1.360
   30    H    TRP   5           HN       TRP   5  -5.477   0.363  -1.972
   31    HA   TRP   5           HA       TRP   5  -5.754  -2.317  -2.986
   32   1HB   TRP   5          HB2       TRP   5  -5.197  -0.777  -5.197
   33   2HB   TRP   5          HB1       TRP   5  -6.803  -1.099  -4.559
   34    HD1  TRP   5           HD1      TRP   5  -8.202   0.970  -3.980
   35    HE1  TRP   5           HE1      TRP   5  -7.728   3.479  -3.663
   36    HE3  TRP   5           HE3      TRP   5  -3.104   0.872  -4.276
   37    HZ2  TRP   5           HZ2      TRP   5  -5.487   5.191  -3.551
   38    HZ3  TRP   5           HZ3      TRP   5  -1.868   2.989  -4.054
   39    HH2  TRP   5           HH2      TRP   5  -3.037   5.103  -3.699
   40    H    SER   6           HN       SER   6  -3.162  -0.674  -1.834
   41    HA   SER   6           HA       SER   6  -1.303  -2.493  -3.052
   42   1HB   SER   6          HB2       SER   6   0.212  -0.749  -3.920
   43   2HB   SER   6          HB1       SER   6  -1.342  -0.716  -4.751
   44    HG   SER   6           HG       SER   6  -0.719   1.377  -4.180
   45    H    ASP   7           HN       ASP   7  -1.401  -3.015  -0.750
   46    HA   ASP   7           HA       ASP   7  -0.668  -1.289   1.301
   47   1HB   ASP   7          HB2       ASP   7  -1.663  -3.622   1.478
   48   2HB   ASP   7          HB1       ASP   7  -0.030  -4.241   1.262
   49    H    GLY   8           HN       GLY   8   1.642  -3.627   1.772
   50   1HA   GLY   8          HA2       GLY   8   3.900  -3.621   0.749
   51   2HA   GLY   8          HA1       GLY   8   3.751  -1.871   0.685
   52    HA   PRO   9           HA       PRO   9   5.902  -3.011   4.651
   53   1HB   PRO   9          HB2       PRO   9   8.121  -1.532   4.309
   54   2HB   PRO   9          HB1       PRO   9   7.952  -3.142   3.597
   55   1HG   PRO   9          HG2       PRO   9   7.593  -0.458   2.319
   56   2HG   PRO   9          HG1       PRO   9   8.413  -1.897   1.686
   57   1HD   PRO   9          HD2       PRO   9   5.869  -1.180   0.990
   58   2HD   PRO   9          HD1       PRO   9   6.451  -2.856   0.986
   59    H    CYS  10           HN       CYS  10   5.205  -1.935   6.377
   60    HA   CYS  10           HA       CYS  10   4.937   0.996   6.214
   61   1HB   CYS  10          HB2       CYS  10   3.065  -0.999   6.987
   62   2HB   CYS  10          HB1       CYS  10   3.481  -0.088   8.433
  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1  -0.297   1.090   6.398
    2   2H    ALA   1           HT2      ALA   1   1.257   0.675   5.800
    3   3H    ALA   1           HT3      ALA   1   0.216  -0.545   6.411
    4    HA   ALA   1           HA       ALA   1   0.082  -0.749   4.152
    5   1HB   ALA   1          HB1       ALA   1  -2.220   0.944   5.110
    6   2HB   ALA   1          HB2       ALA   1  -2.084  -0.811   5.210
    7   3HB   ALA   1          HB3       ALA   1  -2.224  -0.026   3.637
    8    H    CYS   2           HN       CYS   2   1.770   0.359   3.100
    9    HA   CYS   2           HA       CYS   2   1.311   3.127   2.345
   10   1HB   CYS   2          HB2       CYS   2   3.564   1.540   2.930
   11   2HB   CYS   2          HB1       CYS   2   3.694   1.993   1.243
   12    H    LEU   3           HN       LEU   3  -0.011   0.571   1.253
   13    HA   LEU   3           HA       LEU   3   0.530   1.083  -1.595
   14   1HB   LEU   3          HB2       LEU   3  -0.507  -1.397  -0.230
   15   2HB   LEU   3          HB1       LEU   3  -0.474  -1.187  -1.970
   16    HG   LEU   3           HG       LEU   3   1.900  -1.332  -0.115
   17   1HD1  LEU   3          HD11      LEU   3   0.487  -3.375  -1.131
   18   2HD1  LEU   3          HD12      LEU   3   2.226  -3.440  -0.845
   19   3HD1  LEU   3          HD13      LEU   3   1.611  -3.093  -2.461
   20   1HD2  LEU   3          HD21      LEU   3   2.368   0.329  -1.797
   21   2HD2  LEU   3          HD22      LEU   3   1.796  -0.748  -3.070
   22   3HD2  LEU   3          HD23      LEU   3   3.260  -1.146  -2.171
   23    HA   PRO   4           HA       PRO   4  -3.528   2.987  -1.602
   24   1HB   PRO   4          HB2       PRO   4  -3.257   2.618  -4.531
   25   2HB   PRO   4          HB1       PRO   4  -3.583   4.087  -3.607
   26   1HG   PRO   4          HG2       PRO   4  -1.196   3.674  -4.716
   27   2HG   PRO   4          HG1       PRO   4  -1.343   4.437  -3.122
   28   1HD   PRO   4          HD2       PRO   4  -0.585   1.627  -3.818
   29   2HD   PRO   4          HD1       PRO   4   0.080   2.698  -2.567
   30    H    TRP   5           HN       TRP   5  -2.685  -0.076  -2.963
   31    HA   TRP   5           HA       TRP   5  -5.536  -0.745  -3.266
   32   1HB   TRP   5          HB2       TRP   5  -4.095  -2.803  -4.465
   33   2HB   TRP   5          HB1       TRP   5  -4.932  -1.493  -5.290
   34    HD1  TRP   5           HD1      TRP   5  -1.402  -2.313  -3.927
   35    HE1  TRP   5           HE1      TRP   5   0.321  -1.059  -5.369
   36    HE3  TRP   5           HE3      TRP   5  -4.607   0.325  -6.906
   37    HZ2  TRP   5           HZ2      TRP   5   0.320   0.804  -7.489
   38    HZ3  TRP   5           HZ3      TRP   5  -3.667   1.823  -8.616
   39    HH2  TRP   5           HH2      TRP   5  -1.253   2.057  -8.900
   40    H    SER   6           HN       SER   6  -2.678  -1.420  -1.487
   41    HA   SER   6           HA       SER   6  -4.124  -3.394   0.084
   42   1HB   SER   6          HB2       SER   6  -2.640  -4.468  -1.796
   43   2HB   SER   6          HB1       SER   6  -1.310  -4.067  -0.709
   44    HG   SER   6           HG       SER   6  -1.825  -5.844   0.273
   45    H    ASP   7           HN       ASP   7  -1.413  -4.070   1.300
   46    HA   ASP   7           HA       ASP   7  -1.187  -1.629   2.922
   47   1HB   ASP   7          HB2       ASP   7  -0.081  -3.457   4.545
   48   2HB   ASP   7          HB1       ASP   7  -1.807  -3.117   4.536
   49    H    GLY   8           HN       GLY   8   0.988  -4.423   2.770
   50   1HA   GLY   8          HA2       GLY   8   3.251  -4.545   2.411
   51   2HA   GLY   8          HA1       GLY   8   2.953  -3.414   1.101
   52    HA   PRO   9           HA       PRO   9   5.485  -1.384   4.521
   53   1HB   PRO   9          HB2       PRO   9   7.905  -1.324   3.353
   54   2HB   PRO   9          HB1       PRO   9   7.345  -2.733   4.262
   55   1HG   PRO   9          HG2       PRO   9   7.399  -2.288   1.303
   56   2HG   PRO   9          HG1       PRO   9   7.839  -3.738   2.224
   57   1HD   PRO   9          HD2       PRO   9   5.431  -3.412   0.965
   58   2HD   PRO   9          HD1       PRO   9   5.661  -4.434   2.397
   59    H    CYS  10           HN       CYS  10   7.248   0.510   3.931
   60    HA   CYS  10           HA       CYS  10   5.849   2.215   1.981
   61   1HB   CYS  10          HB2       CYS  10   7.248   2.827   4.567
   62   2HB   CYS  10          HB1       CYS  10   7.045   4.079   3.347
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1   1.983   6.138   4.495
    2   2H    ALA   1           HT2      ALA   1   1.079   7.586   4.309
    3   3H    ALA   1           HT3      ALA   1   2.343   7.213   3.209
    4    HA   ALA   1           HA       ALA   1  -0.314   6.039   3.476
    5   1HB   ALA   1          HB1       ALA   1   0.136   6.216   0.869
    6   2HB   ALA   1          HB2       ALA   1   1.287   7.439   1.407
    7   3HB   ALA   1          HB3       ALA   1  -0.421   7.594   1.818
    8    H    CYS   2           HN       CYS   2  -0.641   3.922   3.177
    9    HA   CYS   2           HA       CYS   2   1.640   2.204   2.743
   10   1HB   CYS   2          HB2       CYS   2  -0.814   2.065   4.149
   11   2HB   CYS   2          HB1       CYS   2  -0.852   0.804   2.935
   12    H    LEU   3           HN       LEU   3   0.297   0.019   1.528
   13    HA   LEU   3           HA       LEU   3   0.674   0.568  -1.182
   14   1HB   LEU   3          HB2       LEU   3  -0.293  -1.664   0.426
   15   2HB   LEU   3          HB1       LEU   3  -1.053  -1.596  -1.152
   16    HG   LEU   3           HG       LEU   3   1.919  -1.728  -0.626
   17   1HD1  LEU   3          HD11      LEU   3   0.323  -3.780  -0.283
   18   2HD1  LEU   3          HD12      LEU   3   1.860  -3.962  -1.128
   19   3HD1  LEU   3          HD13      LEU   3   0.360  -3.830  -2.045
   20   1HD2  LEU   3          HD21      LEU   3   1.508  -0.465  -2.631
   21   2HD2  LEU   3          HD22      LEU   3   0.357  -1.673  -3.203
   22   3HD2  LEU   3          HD23      LEU   3   2.068  -2.077  -3.076
   23    HA   PRO   4           HA       PRO   4  -2.864   2.853  -2.533
   24   1HB   PRO   4          HB2       PRO   4  -2.716   0.997  -4.871
   25   2HB   PRO   4          HB1       PRO   4  -2.843   2.760  -4.841
   26   1HG   PRO   4          HG2       PRO   4  -0.516   1.618  -5.366
   27   2HG   PRO   4          HG1       PRO   4  -0.590   3.040  -4.308
   28   1HD   PRO   4          HD2       PRO   4  -0.219   0.165  -3.599
   29   2HD   PRO   4          HD1       PRO   4   0.509   1.608  -2.867
   30    H    TRP   5           HN       TRP   5  -2.924  -0.679  -2.720
   31    HA   TRP   5           HA       TRP   5  -5.732  -0.611  -1.922
   32   1HB   TRP   5          HB2       TRP   5  -5.879  -2.640  -3.702
   33   2HB   TRP   5          HB1       TRP   5  -6.318  -0.979  -4.083
   34    HD1  TRP   5           HD1      TRP   5  -5.092   0.087  -6.080
   35    HE1  TRP   5           HE1      TRP   5  -3.056  -0.540  -7.524
   36    HE3  TRP   5           HE3      TRP   5  -3.430  -3.942  -3.425
   37    HZ2  TRP   5           HZ2      TRP   5  -1.013  -2.490  -7.534
   38    HZ3  TRP   5           HZ3      TRP   5  -1.429  -5.138  -4.214
   39    HH2  TRP   5           HH2      TRP   5  -0.245  -4.424  -6.227
   40    H    SER   6           HN       SER   6  -3.253  -1.321  -0.560
   41    HA   SER   6           HA       SER   6  -4.102  -3.672   0.720
   42   1HB   SER   6          HB2       SER   6  -3.117  -4.505  -1.538
   43   2HB   SER   6          HB1       SER   6  -1.554  -4.126  -0.816
   44    HG   SER   6           HG       SER   6  -1.728  -6.012   0.083
   45    H    ASP   7           HN       ASP   7  -1.181  -4.396   1.181
   46    HA   ASP   7           HA       ASP   7  -0.518  -2.125   2.927
   47   1HB   ASP   7          HB2       ASP   7   0.737  -4.124   4.200
   48   2HB   ASP   7          HB1       ASP   7  -0.929  -3.675   4.550
   49    H    GLY   8           HN       GLY   8   1.344  -5.050   2.173
   50   1HA   GLY   8          HA2       GLY   8   3.295  -5.310   0.955
   51   2HA   GLY   8          HA1       GLY   8   3.117  -3.657   0.385
   52    HA   PRO   9           HA       PRO   9   6.632  -3.877   3.466
   53   1HB   PRO   9          HB2       PRO   9   8.526  -2.782   1.870
   54   2HB   PRO   9          HB1       PRO   9   8.174  -4.514   1.881
   55   1HG   PRO   9          HG2       PRO   9   7.260  -2.406  -0.039
   56   2HG   PRO   9          HG1       PRO   9   7.848  -4.046  -0.374
   57   1HD   PRO   9          HD2       PRO   9   5.210  -3.405  -0.350
   58   2HD   PRO   9          HD1       PRO   9   5.815  -5.009   0.112
   59    H    CYS  10           HN       CYS  10   4.758  -2.128   3.933
   60    HA   CYS  10           HA       CYS  10   5.298   0.565   3.237
   61   1HB   CYS  10          HB2       CYS  10   3.679  -0.648   5.480
   62   2HB   CYS  10          HB1       CYS  10   3.751   1.082   5.164
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1   0.434  -0.481   6.094
    2   2H    ALA   1           HT2      ALA   1   1.464   0.760   5.507
    3   3H    ALA   1           HT3      ALA   1   1.290  -0.702   4.625
    4    HA   ALA   1           HA       ALA   1  -0.841  -0.224   3.992
    5   1HB   ALA   1          HB1       ALA   1  -2.302   1.059   5.128
    6   2HB   ALA   1          HB2       ALA   1  -1.106   2.309   5.468
    7   3HB   ALA   1          HB3       ALA   1  -1.152   0.844   6.447
    8    H    CYS   2           HN       CYS   2   1.692   0.365   2.959
    9    HA   CYS   2           HA       CYS   2   1.555   3.094   1.975
   10   1HB   CYS   2          HB2       CYS   2   3.608   1.267   2.597
   11   2HB   CYS   2          HB1       CYS   2   3.702   1.560   0.874
   12    H    LEU   3           HN       LEU   3  -0.155   0.666   1.175
   13    HA   LEU   3           HA       LEU   3   0.199   0.983  -1.730
   14   1HB   LEU   3          HB2       LEU   3  -0.154  -1.424  -0.081
   15   2HB   LEU   3          HB1       LEU   3  -1.185  -1.359  -1.497
   16    HG   LEU   3           HG       LEU   3   1.511  -0.652  -2.221
   17   1HD1  LEU   3          HD11      LEU   3   2.167  -3.214  -1.841
   18   2HD1  LEU   3          HD12      LEU   3   1.179  -2.957  -0.403
   19   3HD1  LEU   3          HD13      LEU   3   2.585  -1.935  -0.701
   20   1HD2  LEU   3          HD21      LEU   3   0.228  -1.386  -3.968
   21   2HD2  LEU   3          HD22      LEU   3  -0.570  -2.630  -3.006
   22   3HD2  LEU   3          HD23      LEU   3   1.085  -2.874  -3.565
   23    HA   PRO   4           HA       PRO   4  -3.825   2.946  -1.431
   24   1HB   PRO   4          HB2       PRO   4  -3.818   2.341  -4.345
   25   2HB   PRO   4          HB1       PRO   4  -4.121   3.871  -3.514
   26   1HG   PRO   4          HG2       PRO   4  -1.818   3.455  -4.773
   27   2HG   PRO   4          HG1       PRO   4  -1.859   4.308  -3.218
   28   1HD   PRO   4          HD2       PRO   4  -1.061   1.489  -3.816
   29   2HD   PRO   4          HD1       PRO   4  -0.350   2.644  -2.669
   30    H    TRP   5           HN       TRP   5  -3.253  -0.007  -3.291
   31    HA   TRP   5           HA       TRP   5  -6.005  -0.863  -2.687
   32   1HB   TRP   5          HB2       TRP   5  -5.325  -2.591  -4.603
   33   2HB   TRP   5          HB1       TRP   5  -5.990  -1.003  -4.968
   34    HD1  TRP   5           HD1      TRP   5  -2.508  -2.688  -4.666
   35    HE1  TRP   5           HE1      TRP   5  -0.930  -1.553  -6.352
   36    HE3  TRP   5           HE3      TRP   5  -5.668   0.918  -6.432
   37    HZ2  TRP   5           HZ2      TRP   5  -1.014   0.590  -8.188
   38    HZ3  TRP   5           HZ3      TRP   5  -4.843   2.472  -8.151
   39    HH2  TRP   5           HH2      TRP   5  -2.563   2.311  -9.009
   40    H    SER   6           HN       SER   6  -3.241  -1.150  -1.242
   41    HA   SER   6           HA       SER   6  -3.795  -3.754  -0.193
   42   1HB   SER   6          HB2       SER   6  -2.287  -3.944  -2.363
   43   2HB   SER   6          HB1       SER   6  -1.007  -3.475  -1.244
   44    HG   SER   6           HG       SER   6  -2.752  -5.701  -1.004
   45    H    ASP   7           HN       ASP   7  -0.906  -3.876   0.705
   46    HA   ASP   7           HA       ASP   7  -0.989  -1.657   2.633
   47   1HB   ASP   7          HB2       ASP   7  -0.776  -4.574   3.089
   48   2HB   ASP   7          HB1       ASP   7   0.301  -3.567   4.052
   49    H    GLY   8           HN       GLY   8   1.436  -4.214   2.358
   50   1HA   GLY   8          HA2       GLY   8   3.725  -4.050   2.146
   51   2HA   GLY   8          HA1       GLY   8   3.314  -3.133   0.706
   52    HA   PRO   9           HA       PRO   9   4.307  -0.092   4.403
   53   1HB   PRO   9          HB2       PRO   9   6.287  -1.044   6.011
   54   2HB   PRO   9          HB1       PRO   9   4.568  -1.235   6.375
   55   1HG   PRO   9          HG2       PRO   9   6.475  -3.190   5.148
   56   2HG   PRO   9          HG1       PRO   9   5.233  -3.463   6.384
   57   1HD   PRO   9          HD2       PRO   9   4.851  -4.106   3.789
   58   2HD   PRO   9          HD1       PRO   9   3.526  -3.549   4.832
   59    H    CYS  10           HN       CYS  10   5.530   1.441   3.518
   60    HA   CYS  10           HA       CYS  10   7.538   0.981   1.635
   61   1HB   CYS  10          HB2       CYS  10   6.863   3.410   3.290
   62   2HB   CYS  10          HB1       CYS  10   8.128   3.424   2.067
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1   2.132   5.021   3.992
    2   2H    ALA   1           HT2      ALA   1   3.477   6.081   3.882
    3   3H    ALA   1           HT3      ALA   1   3.684   4.399   3.615
    4    HA   ALA   1           HA       ALA   1   1.862   5.989   1.974
    5   1HB   ALA   1          HB1       ALA   1   4.349   6.843   2.155
    6   2HB   ALA   1          HB2       ALA   1   3.516   6.768   0.603
    7   3HB   ALA   1          HB3       ALA   1   4.649   5.495   1.059
    8    H    CYS   2           HN       CYS   2   1.417   3.407   2.866
    9    HA   CYS   2           HA       CYS   2   2.477   1.448   1.114
   10   1HB   CYS   2          HB2       CYS   2   0.887   1.540   3.446
   11   2HB   CYS   2          HB1       CYS   2  -0.048   0.692   2.231
   12    H    LEU   3           HN       LEU   3   0.516  -0.024   0.133
   13    HA   LEU   3           HA       LEU   3  -0.434   1.535  -2.093
   14   1HB   LEU   3          HB2       LEU   3  -0.290  -1.333  -1.365
   15   2HB   LEU   3          HB1       LEU   3  -1.557  -0.879  -2.482
   16    HG   LEU   3           HG       LEU   3   0.951  -1.613  -3.209
   17   1HD1  LEU   3          HD11      LEU   3  -0.054   0.266  -5.133
   18   2HD1  LEU   3          HD12      LEU   3  -1.375  -0.672  -4.438
   19   3HD1  LEU   3          HD13      LEU   3  -0.013  -1.496  -5.196
   20   1HD2  LEU   3          HD21      LEU   3   1.815   0.525  -2.176
   21   2HD2  LEU   3          HD22      LEU   3   0.977   1.382  -3.470
   22   3HD2  LEU   3          HD23      LEU   3   2.262   0.238  -3.858
   23    HA   PRO   4           HA       PRO   4  -4.569   2.537  -0.971
   24   1HB   PRO   4          HB2       PRO   4  -5.403   0.998  -3.394
   25   2HB   PRO   4          HB1       PRO   4  -5.837   2.640  -2.904
   26   1HG   PRO   4          HG2       PRO   4  -4.062   2.279  -4.828
   27   2HG   PRO   4          HG1       PRO   4  -3.787   3.523  -3.591
   28   1HD   PRO   4          HD2       PRO   4  -2.552   0.811  -3.860
   29   2HD   PRO   4          HD1       PRO   4  -1.808   2.343  -3.358
   30    H    TRP   5           HN       TRP   5  -4.084  -0.773  -2.142
   31    HA   TRP   5           HA       TRP   5  -6.152  -1.695  -0.269
   32   1HB   TRP   5          HB2       TRP   5  -5.289  -3.829  -1.946
   33   2HB   TRP   5          HB1       TRP   5  -6.857  -3.035  -1.911
   34    HD1  TRP   5           HD1      TRP   5  -7.423  -1.365  -3.874
   35    HE1  TRP   5           HE1      TRP   5  -6.275  -0.834  -6.116
   36    HE3  TRP   5           HE3      TRP   5  -2.907  -3.580  -3.011
   37    HZ2  TRP   5           HZ2      TRP   5  -3.776  -1.296  -7.355
   38    HZ3  TRP   5           HZ3      TRP   5  -1.189  -3.498  -4.771
   39    HH2  TRP   5           HH2      TRP   5  -1.616  -2.376  -6.899
   40    H    SER   6           HN       SER   6  -3.534  -0.950   0.607
   41    HA   SER   6           HA       SER   6  -1.881  -1.676   1.988
   42   1HB   SER   6          HB2       SER   6  -3.495  -2.677   3.387
   43   2HB   SER   6          HB1       SER   6  -3.832  -3.959   2.224
   44    HG   SER   6           HG       SER   6  -2.514  -4.649   3.992
   45    H    ASP   7           HN       ASP   7  -0.109  -1.862   0.741
   46    HA   ASP   7           HA       ASP   7   0.924  -4.431   0.170
   47   1HB   ASP   7          HB2       ASP   7  -0.624  -3.163  -1.934
   48   2HB   ASP   7          HB1       ASP   7   1.040  -3.440  -2.440
   49    H    GLY   8           HN       GLY   8   3.005  -4.177   0.603
   50   1HA   GLY   8          HA2       GLY   8   5.096  -3.184  -0.328
   51   2HA   GLY   8          HA1       GLY   8   4.290  -1.631  -0.169
   52    HA   PRO   9           HA       PRO   9   6.568  -1.806   3.729
   53   1HB   PRO   9          HB2       PRO   9   6.581   0.827   4.232
   54   2HB   PRO   9          HB1       PRO   9   7.613   0.124   2.980
   55   1HG   PRO   9          HG2       PRO   9   5.001   1.558   2.697
   56   2HG   PRO   9          HG1       PRO   9   6.473   1.710   1.720
   57   1HD   PRO   9          HD2       PRO   9   4.294   0.208   0.990
   58   2HD   PRO   9          HD1       PRO   9   5.949  -0.110   0.433
   59    H    CYS  10           HN       CYS  10   4.071  -2.739   3.966
   60    HA   CYS  10           HA       CYS  10   2.535  -0.990   5.713
   61   1HB   CYS  10          HB2       CYS  10   2.015  -3.585   4.317
   62   2HB   CYS  10          HB1       CYS  10   1.028  -3.147   5.707
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1   1.225  -0.556   5.363
    2   2H    ALA   1           HT2      ALA   1   2.297   0.627   4.731
    3   3H    ALA   1           HT3      ALA   1   1.713  -0.632   3.722
    4    HA   ALA   1           HA       ALA   1  -0.399   0.211   3.664
    5   1HB   ALA   1          HB1       ALA   1  -0.665   0.672   6.020
    6   2HB   ALA   1          HB2       ALA   1  -1.114   2.096   5.080
    7   3HB   ALA   1          HB3       ALA   1   0.443   2.040   5.906
    8    H    CYS   2           HN       CYS   2   1.780   0.606   2.054
    9    HA   CYS   2           HA       CYS   2   2.030   3.437   1.607
   10   1HB   CYS   2          HB2       CYS   2   3.689   1.202   1.225
   11   2HB   CYS   2          HB1       CYS   2   3.350   1.849  -0.367
   12    H    LEU   3           HN       LEU   3   0.007   1.044   0.645
   13    HA   LEU   3           HA       LEU   3  -1.038   2.709  -1.491
   14   1HB   LEU   3          HB2       LEU   3  -0.045  -0.088  -1.907
   15   2HB   LEU   3          HB1       LEU   3  -1.260   0.618  -2.955
   16    HG   LEU   3           HG       LEU   3   1.541   1.655  -2.528
   17   1HD1  LEU   3          HD11      LEU   3   1.782  -0.168  -3.924
   18   2HD1  LEU   3          HD12      LEU   3   1.551   1.154  -5.069
   19   3HD1  LEU   3          HD13      LEU   3   0.209   0.076  -4.685
   20   1HD2  LEU   3          HD21      LEU   3   0.146   3.538  -2.867
   21   2HD2  LEU   3          HD22      LEU   3  -0.769   2.719  -4.133
   22   3HD2  LEU   3          HD23      LEU   3   0.907   3.190  -4.419
   23    HA   PRO   4           HA       PRO   4  -4.952   1.605   0.228
   24   1HB   PRO   4          HB2       PRO   4  -5.943   1.649  -2.572
   25   2HB   PRO   4          HB1       PRO   4  -6.509   2.553  -1.163
   26   1HG   PRO   4          HG2       PRO   4  -5.101   3.761  -3.068
   27   2HG   PRO   4          HG1       PRO   4  -4.838   4.155  -1.358
   28   1HD   PRO   4          HD2       PRO   4  -3.197   2.444  -3.185
   29   2HD   PRO   4          HD1       PRO   4  -2.669   3.603  -1.947
   30    H    TRP   5           HN       TRP   5  -4.574   0.106  -2.985
   31    HA   TRP   5           HA       TRP   5  -5.766  -2.349  -1.938
   32   1HB   TRP   5          HB2       TRP   5  -5.374  -2.877  -4.577
   33   2HB   TRP   5          HB1       TRP   5  -6.831  -2.142  -3.922
   34    HD1  TRP   5           HD1      TRP   5  -7.530   0.044  -5.052
   35    HE1  TRP   5           HE1      TRP   5  -6.377   1.812  -6.524
   36    HE3  TRP   5           HE3      TRP   5  -2.757  -1.769  -4.905
   37    HZ2  TRP   5           HZ2      TRP   5  -3.785   2.365  -7.494
   38    HZ3  TRP   5           HZ3      TRP   5  -0.997  -0.563  -6.131
   39    HH2  TRP   5           HH2      TRP   5  -1.502   1.462  -7.398
   40    H    SER   6           HN       SER   6  -3.052  -1.528  -1.245
   41    HA   SER   6           HA       SER   6  -1.757  -3.994  -1.394
   42   1HB   SER   6          HB2       SER   6   0.057  -3.558  -2.945
   43   2HB   SER   6          HB1       SER   6  -1.477  -3.380  -3.793
   44    HG   SER   6           HG       SER   6   0.450  -1.506  -3.199
   45    H    ASP   7           HN       ASP   7  -2.240  -2.403   0.668
   46    HA   ASP   7           HA       ASP   7  -0.848  -0.392   1.604
   47   1HB   ASP   7          HB2       ASP   7  -1.324  -3.050   2.917
   48   2HB   ASP   7          HB1       ASP   7  -0.475  -1.773   3.781
   49    H    GLY   8           HN       GLY   8   0.728  -3.448   2.465
   50   1HA   GLY   8          HA2       GLY   8   2.935  -4.072   2.437
   51   2HA   GLY   8          HA1       GLY   8   3.131  -2.995   1.064
   52    HA   PRO   9           HA       PRO   9   4.516  -0.958   5.261
   53   1HB   PRO   9          HB2       PRO   9   6.539  -2.439   6.287
   54   2HB   PRO   9          HB1       PRO   9   4.852  -2.672   6.760
   55   1HG   PRO   9          HG2       PRO   9   6.502  -4.225   4.803
   56   2HG   PRO   9          HG1       PRO   9   5.375  -4.820   6.036
   57   1HD   PRO   9          HD2       PRO   9   4.705  -4.614   3.416
   58   2HD   PRO   9          HD1       PRO   9   3.526  -4.405   4.726
   59    H    CYS  10           HN       CYS  10   5.406   0.614   3.979
   60    HA   CYS  10           HA       CYS  10   7.584   0.233   2.225
   61   1HB   CYS  10          HB2       CYS  10   6.026   2.508   3.250
   62   2HB   CYS  10          HB1       CYS  10   7.687   2.903   2.823
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1   3.686   5.903   0.237
    2   2H    ALA   1           HT2      ALA   1   3.903   7.038   1.506
    3   3H    ALA   1           HT3      ALA   1   2.340   6.769   0.851
    4    HA   ALA   1           HA       ALA   1   3.985   4.902   2.415
    5   1HB   ALA   1          HB1       ALA   1   2.446   6.892   3.345
    6   2HB   ALA   1          HB2       ALA   1   2.653   5.354   4.183
    7   3HB   ALA   1          HB3       ALA   1   1.228   5.627   3.181
    8    H    CYS   2           HN       CYS   2   2.576   2.989   3.086
    9    HA   CYS   2           HA       CYS   2   2.121   1.250   1.137
   10   1HB   CYS   2          HB2       CYS   2  -0.036   0.791   2.936
   11   2HB   CYS   2          HB1       CYS   2   1.523  -0.005   2.854
   12    H    LEU   3           HN       LEU   3   0.374   0.473  -0.108
   13    HA   LEU   3           HA       LEU   3  -1.466   2.584  -0.925
   14   1HB   LEU   3          HB2       LEU   3  -0.748  -0.078  -2.141
   15   2HB   LEU   3          HB1       LEU   3  -1.998   0.965  -2.789
   16    HG   LEU   3           HG       LEU   3   0.812   1.960  -2.432
   17   1HD1  LEU   3          HD11      LEU   3   0.390  -0.229  -3.911
   18   2HD1  LEU   3          HD12      LEU   3   1.559   1.018  -4.347
   19   3HD1  LEU   3          HD13      LEU   3  -0.038   1.006  -5.096
   20   1HD2  LEU   3          HD21      LEU   3  -1.302   3.399  -2.929
   21   2HD2  LEU   3          HD22      LEU   3  -1.122   2.758  -4.562
   22   3HD2  LEU   3          HD23      LEU   3   0.187   3.684  -3.829
   23    HA   PRO   4           HA       PRO   4  -5.099   1.014   1.003
   24   1HB   PRO   4          HB2       PRO   4  -6.502   1.286  -1.593
   25   2HB   PRO   4          HB1       PRO   4  -6.865   2.032  -0.034
   26   1HG   PRO   4          HG2       PRO   4  -5.811   3.459  -2.028
   27   2HG   PRO   4          HG1       PRO   4  -5.331   3.739  -0.344
   28   1HD   PRO   4          HD2       PRO   4  -3.879   2.277  -2.514
   29   2HD   PRO   4          HD1       PRO   4  -3.240   3.360  -1.260
   30    H    TRP   5           HN       TRP   5  -4.839  -0.145  -2.360
   31    HA   TRP   5           HA       TRP   5  -5.814  -2.767  -1.471
   32   1HB   TRP   5          HB2       TRP   5  -5.739  -2.997  -4.173
   33   2HB   TRP   5          HB1       TRP   5  -7.140  -2.425  -3.276
   34    HD1  TRP   5           HD1      TRP   5  -8.131  -0.285  -4.242
   35    HE1  TRP   5           HE1      TRP   5  -7.253   1.724  -5.589
   36    HE3  TRP   5           HE3      TRP   5  -3.189  -1.567  -4.482
   37    HZ2  TRP   5           HZ2      TRP   5  -4.791   2.644  -6.618
   38    HZ3  TRP   5           HZ3      TRP   5  -1.638  -0.069  -5.667
   39    HH2  TRP   5           HH2      TRP   5  -2.424   1.993  -6.713
   40    H    SER   6           HN       SER   6  -3.100  -1.808  -1.013
   41    HA   SER   6           HA       SER   6  -1.646  -4.104  -1.517
   42   1HB   SER   6          HB2       SER   6  -1.642  -3.674  -3.864
   43   2HB   SER   6          HB1       SER   6  -1.257  -1.970  -3.622
   44    HG   SER   6           HG       SER   6   0.788  -2.459  -3.412
   45    H    ASP   7           HN       ASP   7  -1.741  -2.840   0.709
   46    HA   ASP   7           HA       ASP   7  -0.315  -0.654   1.390
   47   1HB   ASP   7          HB2       ASP   7   0.418  -2.089   3.476
   48   2HB   ASP   7          HB1       ASP   7  -1.272  -1.665   3.223
   49    H    GLY   8           HN       GLY   8   1.250  -3.869   1.534
   50   1HA   GLY   8          HA2       GLY   8   3.348  -4.456   0.679
   51   2HA   GLY   8          HA1       GLY   8   3.621  -2.772   0.257
   52    HA   PRO   9           HA       PRO   9   6.394  -3.462   3.825
   53   1HB   PRO   9          HB2       PRO   9   8.070  -1.404   3.216
   54   2HB   PRO   9          HB1       PRO   9   8.207  -3.011   2.492
   55   1HG   PRO   9          HG2       PRO   9   6.950  -0.532   1.381
   56   2HG   PRO   9          HG1       PRO   9   7.985  -1.722   0.571
   57   1HD   PRO   9          HD2       PRO   9   5.298  -1.712   0.286
   58   2HD   PRO   9          HD1       PRO   9   6.249  -3.211   0.264
   59    H    CYS  10           HN       CYS  10   5.205  -2.813   5.550
   60    HA   CYS  10           HA       CYS  10   5.422  -0.073   6.379
   61   1HB   CYS  10          HB2       CYS  10   2.842  -1.168   5.367
   62   2HB   CYS  10          HB1       CYS  10   2.791  -0.129   6.787
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1   3.078   6.389   4.571
    2   2H    ALA   1           HT2      ALA   1   2.909   4.683   4.646
    3   3H    ALA   1           HT3      ALA   1   1.576   5.660   4.184
    4    HA   ALA   1           HA       ALA   1   2.458   6.167   2.167
    5   1HB   ALA   1          HB1       ALA   1   4.640   6.854   2.748
    6   2HB   ALA   1          HB2       ALA   1   4.841   5.523   1.610
    7   3HB   ALA   1          HB3       ALA   1   5.072   5.249   3.337
    8    H    CYS   2           HN       CYS   2   1.151   3.863   3.378
    9    HA   CYS   2           HA       CYS   2   2.225   1.541   2.049
   10   1HB   CYS   2          HB2       CYS   2   0.527   2.061   4.247
   11   2HB   CYS   2          HB1       CYS   2  -0.422   1.168   3.075
   12    H    LEU   3           HN       LEU   3   0.685   0.175   0.729
   13    HA   LEU   3           HA       LEU   3  -0.480   1.870  -1.329
   14   1HB   LEU   3          HB2       LEU   3   0.858  -0.633  -1.286
   15   2HB   LEU   3          HB1       LEU   3  -0.750  -0.907  -1.931
   16    HG   LEU   3           HG       LEU   3   1.023   1.268  -3.009
   17   1HD1  LEU   3          HD11      LEU   3   0.844  -1.257  -4.506
   18   2HD1  LEU   3          HD12      LEU   3   1.830  -1.306  -3.044
   19   3HD1  LEU   3          HD13      LEU   3   2.195  -0.139  -4.315
   20   1HD2  LEU   3          HD21      LEU   3  -1.557   0.018  -3.722
   21   2HD2  LEU   3          HD22      LEU   3  -0.472   0.409  -5.057
   22   3HD2  LEU   3          HD23      LEU   3  -0.995   1.675  -3.945
   23    HA   PRO   4           HA       PRO   4  -4.610   1.404   0.332
   24   1HB   PRO   4          HB2       PRO   4  -5.350   2.007  -2.485
   25   2HB   PRO   4          HB1       PRO   4  -5.880   2.788  -0.991
   26   1HG   PRO   4          HG2       PRO   4  -4.136   3.990  -2.596
   27   2HG   PRO   4          HG1       PRO   4  -3.959   4.084  -0.834
   28   1HD   PRO   4          HD2       PRO   4  -2.462   2.405  -2.804
   29   2HD   PRO   4          HD1       PRO   4  -1.869   3.248  -1.358
   30    H    TRP   5           HN       TRP   5  -3.760   0.074  -2.839
   31    HA   TRP   5           HA       TRP   5  -5.865  -1.873  -2.807
   32   1HB   TRP   5          HB2       TRP   5  -3.517  -2.244  -4.595
   33   2HB   TRP   5          HB1       TRP   5  -5.234  -2.383  -4.952
   34    HD1  TRP   5           HD1      TRP   5  -2.554  -0.426  -6.100
   35    HE1  TRP   5           HE1      TRP   5  -3.243   1.947  -6.814
   36    HE3  TRP   5           HE3      TRP   5  -7.095  -0.168  -3.772
   37    HZ2  TRP   5           HZ2      TRP   5  -5.422   3.699  -6.438
   38    HZ3  TRP   5           HZ3      TRP   5  -8.419   1.894  -3.996
   39    HH2  TRP   5           HH2      TRP   5  -7.598   3.787  -5.301
   40    H    SER   6           HN       SER   6  -2.557  -1.750  -1.775
   41    HA   SER   6           HA       SER   6  -2.812  -4.208  -0.345
   42   1HB   SER   6          HB2       SER   6  -0.973  -4.114  -2.747
   43   2HB   SER   6          HB1       SER   6  -0.862  -5.329  -1.473
   44    HG   SER   6           HG       SER   6  -2.911  -4.916  -3.362
   45    H    ASP   7           HN       ASP   7  -2.156  -3.212   1.484
   46    HA   ASP   7           HA       ASP   7  -0.435  -1.206   1.953
   47   1HB   ASP   7          HB2       ASP   7   0.225  -2.569   4.103
   48   2HB   ASP   7          HB1       ASP   7  -1.423  -1.992   3.884
   49    H    GLY   8           HN       GLY   8   0.712  -4.589   2.150
   50   1HA   GLY   8          HA2       GLY   8   2.827  -5.460   1.918
   51   2HA   GLY   8          HA1       GLY   8   2.891  -4.435   0.494
   52    HA   PRO   9           HA       PRO   9   6.335  -2.491   2.526
   53   1HB   PRO   9          HB2       PRO   9   6.564  -0.301   0.934
   54   2HB   PRO   9          HB1       PRO   9   7.103  -1.911   0.441
   55   1HG   PRO   9          HG2       PRO   9   4.569  -0.470  -0.239
   56   2HG   PRO   9          HG1       PRO   9   5.625  -1.433  -1.289
   57   1HD   PRO   9          HD2       PRO   9   3.325  -2.411  -0.253
   58   2HD   PRO   9          HD1       PRO   9   4.744  -3.433  -0.553
   59    H    CYS  10           HN       CYS  10   5.603  -1.829   4.512
   60    HA   CYS  10           HA       CYS  10   4.332   0.828   4.610
   61   1HB   CYS  10          HB2       CYS  10   3.389  -1.634   5.677
   62   2HB   CYS  10          HB1       CYS  10   3.850  -0.612   7.035
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1  -2.666   0.669   4.584
    2   2H    ALA   1           HT2      ALA   1  -2.404   0.503   2.896
    3   3H    ALA   1           HT3      ALA   1  -3.029   1.971   3.529
    4    HA   ALA   1           HA       ALA   1  -1.040   2.466   4.604
    5   1HB   ALA   1          HB1       ALA   1   0.434   0.139   3.553
    6   2HB   ALA   1          HB2       ALA   1  -0.696  -0.188   4.867
    7   3HB   ALA   1          HB3       ALA   1   0.597   0.990   5.088
    8    H    CYS   2           HN       CYS   2   1.377   2.229   3.263
    9    HA   CYS   2           HA       CYS   2   1.342   4.030   1.323
   10   1HB   CYS   2          HB2       CYS   2   3.243   2.141   0.415
   11   2HB   CYS   2          HB1       CYS   2   3.506   3.603   1.338
   12    H    LEU   3           HN       LEU   3   0.640   0.750   0.935
   13    HA   LEU   3           HA       LEU   3   0.548   0.589  -1.865
   14   1HB   LEU   3          HB2       LEU   3  -0.130  -1.087   0.381
   15   2HB   LEU   3          HB1       LEU   3  -1.352  -1.222  -0.867
   16    HG   LEU   3           HG       LEU   3   0.637  -2.861  -0.879
   17   1HD1  LEU   3          HD11      LEU   3   0.404  -1.646  -3.555
   18   2HD1  LEU   3          HD12      LEU   3  -1.109  -2.087  -2.764
   19   3HD1  LEU   3          HD13      LEU   3   0.134  -3.309  -3.032
   20   1HD2  LEU   3          HD21      LEU   3   2.156  -0.631  -0.863
   21   2HD2  LEU   3          HD22      LEU   3   2.073  -0.952  -2.596
   22   3HD2  LEU   3          HD23      LEU   3   2.693  -2.186  -1.499
   23    HA   PRO   4           HA       PRO   4  -2.967   3.158  -2.817
   24   1HB   PRO   4          HB2       PRO   4  -3.151   1.244  -5.100
   25   2HB   PRO   4          HB1       PRO   4  -3.169   3.011  -5.110
   26   1HG   PRO   4          HG2       PRO   4  -0.987   1.692  -5.845
   27   2HG   PRO   4          HG1       PRO   4  -0.861   3.165  -4.863
   28   1HD   PRO   4          HD2       PRO   4  -0.556   0.310  -4.048
   29   2HD   PRO   4          HD1       PRO   4   0.312   1.748  -3.474
   30    H    TRP   5           HN       TRP   5  -3.119  -0.370  -2.883
   31    HA   TRP   5           HA       TRP   5  -5.821  -0.228  -1.781
   32   1HB   TRP   5          HB2       TRP   5  -6.087  -2.362  -3.491
   33   2HB   TRP   5          HB1       TRP   5  -6.712  -0.744  -3.787
   34    HD1  TRP   5           HD1      TRP   5  -5.691   0.594  -5.782
   35    HE1  TRP   5           HE1      TRP   5  -3.912   0.068  -7.567
   36    HE3  TRP   5           HE3      TRP   5  -3.798  -3.716  -3.801
   37    HZ2  TRP   5           HZ2      TRP   5  -1.967  -1.913  -8.071
   38    HZ3  TRP   5           HZ3      TRP   5  -1.981  -4.869  -4.994
   39    HH2  TRP   5           HH2      TRP   5  -1.085  -3.984  -7.086
   40    H    SER   6           HN       SER   6  -3.252  -0.890  -0.632
   41    HA   SER   6           HA       SER   6  -3.977  -3.327   0.657
   42   1HB   SER   6          HB2       SER   6  -1.374  -3.385  -0.876
   43   2HB   SER   6          HB1       SER   6  -2.158  -4.714  -0.022
   44    HG   SER   6           HG       SER   6  -2.766  -5.082  -2.046
   45    H    ASP   7           HN       ASP   7  -1.041  -3.750   1.282
   46    HA   ASP   7           HA       ASP   7  -0.705  -1.451   3.088
   47   1HB   ASP   7          HB2       ASP   7  -1.364  -3.501   4.295
   48   2HB   ASP   7          HB1       ASP   7   0.034  -4.336   3.626
   49    H    GLY   8           HN       GLY   8   1.288  -4.230   2.068
   50   1HA   GLY   8          HA2       GLY   8   3.374  -4.311   1.102
   51   2HA   GLY   8          HA1       GLY   8   3.130  -2.647   0.592
   52    HA   PRO   9           HA       PRO   9   6.111  -3.096   4.340
   53   1HB   PRO   9          HB2       PRO   9   8.513  -3.226   3.086
   54   2HB   PRO   9          HB1       PRO   9   7.588  -4.664   3.535
   55   1HG   PRO   9          HG2       PRO   9   7.790  -3.294   0.880
   56   2HG   PRO   9          HG1       PRO   9   7.827  -5.028   1.250
   57   1HD   PRO   9          HD2       PRO   9   5.606  -3.782   0.330
   58   2HD   PRO   9          HD1       PRO   9   5.534  -5.165   1.441
   59    H    CYS  10           HN       CYS  10   7.035  -1.281   5.182
   60    HA   CYS  10           HA       CYS  10   8.069   0.818   3.504
   61   1HB   CYS  10          HB2       CYS  10   5.391   1.039   4.820
   62   2HB   CYS  10          HB1       CYS  10   6.408   2.471   4.705
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1   0.125   5.330   3.942
    2   2H    ALA   1           HT2      ALA   1   1.015   6.760   4.271
    3   3H    ALA   1           HT3      ALA   1   1.822   5.248   4.170
    4    HA   ALA   1           HA       ALA   1   0.307   6.378   1.932
    5   1HB   ALA   1          HB1       ALA   1   1.825   8.077   2.145
    6   2HB   ALA   1          HB2       ALA   1   2.755   6.946   1.162
    7   3HB   ALA   1          HB3       ALA   1   3.041   7.046   2.900
    8    H    CYS   2           HN       CYS   2   0.386   3.688   2.832
    9    HA   CYS   2           HA       CYS   2   2.374   2.301   1.271
   10   1HB   CYS   2          HB2       CYS   2   0.747   1.740   3.513
   11   2HB   CYS   2          HB1       CYS   2   0.285   0.609   2.257
   12    H    LEU   3           HN       LEU   3   0.867   0.106   0.394
   13    HA   LEU   3           HA       LEU   3   0.064   0.922  -2.140
   14   1HB   LEU   3          HB2       LEU   3  -0.205  -1.555  -0.538
   15   2HB   LEU   3          HB1       LEU   3  -1.279  -1.396  -1.915
   16    HG   LEU   3           HG       LEU   3   1.730  -1.197  -2.066
   17   1HD1  LEU   3          HD11      LEU   3   0.901  -3.452  -1.424
   18   2HD1  LEU   3          HD12      LEU   3   1.717  -3.408  -2.987
   19   3HD1  LEU   3          HD13      LEU   3  -0.044  -3.480  -2.913
   20   1HD2  LEU   3          HD21      LEU   3   1.150  -1.619  -4.535
   21   2HD2  LEU   3          HD22      LEU   3   0.894  -0.001  -3.881
   22   3HD2  LEU   3          HD23      LEU   3  -0.475  -1.093  -4.094
   23    HA   PRO   4           HA       PRO   4  -3.930   2.760  -1.673
   24   1HB   PRO   4          HB2       PRO   4  -4.602   1.302  -4.179
   25   2HB   PRO   4          HB1       PRO   4  -4.738   3.024  -3.807
   26   1HG   PRO   4          HG2       PRO   4  -2.790   2.134  -5.381
   27   2HG   PRO   4          HG1       PRO   4  -2.485   3.422  -4.201
   28   1HD   PRO   4          HD2       PRO   4  -1.765   0.524  -4.075
   29   2HD   PRO   4          HD1       PRO   4  -0.845   1.941  -3.530
   30    H    TRP   5           HN       TRP   5  -4.006  -0.570  -2.943
   31    HA   TRP   5           HA       TRP   5  -6.301  -1.100  -1.173
   32   1HB   TRP   5          HB2       TRP   5  -6.354  -3.144  -2.998
   33   2HB   TRP   5          HB1       TRP   5  -7.310  -1.670  -3.107
   34    HD1  TRP   5           HD1      TRP   5  -6.966  -0.236  -5.219
   35    HE1  TRP   5           HE1      TRP   5  -5.307  -0.248  -7.185
   36    HE3  TRP   5           HE3      TRP   5  -3.688  -3.752  -3.490
   37    HZ2  TRP   5           HZ2      TRP   5  -2.921  -1.573  -7.907
   38    HZ3  TRP   5           HZ3      TRP   5  -1.741  -4.335  -4.878
   39    HH2  TRP   5           HH2      TRP   5  -1.367  -3.266  -7.041
   40    H    SER   6           HN       SER   6  -3.377  -1.313  -0.589
   41    HA   SER   6           HA       SER   6  -3.479  -3.841   0.731
   42   1HB   SER   6          HB2       SER   6  -2.786  -4.562  -1.528
   43   2HB   SER   6          HB1       SER   6  -1.414  -3.456  -1.453
   44    HG   SER   6           HG       SER   6  -0.555  -5.307  -0.762
   45    H    ASP   7           HN       ASP   7  -0.452  -3.848   0.729
   46    HA   ASP   7           HA       ASP   7   0.157  -1.377   2.138
   47   1HB   ASP   7          HB2       ASP   7  -0.336  -3.930   3.457
   48   2HB   ASP   7          HB1       ASP   7   1.261  -3.286   3.829
   49    H    GLY   8           HN       GLY   8   1.795  -4.524   2.204
   50   1HA   GLY   8          HA2       GLY   8   3.713  -5.224   1.097
   51   2HA   GLY   8          HA1       GLY   8   3.728  -3.703   0.220
   52    HA   PRO   9           HA       PRO   9   7.276  -2.883   2.813
   53   1HB   PRO   9          HB2       PRO   9   7.777  -0.362   1.944
   54   2HB   PRO   9          HB1       PRO   9   8.194  -1.800   1.004
   55   1HG   PRO   9          HG2       PRO   9   5.833   0.020   0.734
   56   2HG   PRO   9          HG1       PRO   9   6.855  -0.683  -0.534
   57   1HD   PRO   9          HD2       PRO   9   4.428  -1.698   0.114
   58   2HD   PRO   9          HD1       PRO   9   5.766  -2.713  -0.462
   59    H    CYS  10           HN       CYS  10   5.256  -2.875   4.427
   60    HA   CYS  10           HA       CYS  10   5.292  -0.233   5.723
   61   1HB   CYS  10          HB2       CYS  10   2.991  -1.871   4.903
   62   2HB   CYS  10          HB1       CYS  10   2.914  -1.301   6.566
  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1   3.976   6.666   0.189
    2   2H    ALA   1           HT2      ALA   1   5.020   5.683   1.132
    3   3H    ALA   1           HT3      ALA   1   4.725   7.310   1.590
    4    HA   ALA   1           HA       ALA   1   3.522   5.816   2.968
    5   1HB   ALA   1          HB1       ALA   1   2.308   7.724   2.927
    6   2HB   ALA   1          HB2       ALA   1   1.142   6.687   2.105
    7   3HB   ALA   1          HB3       ALA   1   2.196   7.747   1.167
    8    H    CYS   2           HN       CYS   2   4.115   3.672   2.020
    9    HA   CYS   2           HA       CYS   2   3.096   2.256   0.032
   10   1HB   CYS   2          HB2       CYS   2   2.709   0.554   2.277
   11   2HB   CYS   2          HB1       CYS   2   4.051   0.611   1.153
   12    H    LEU   3           HN       LEU   3   1.297   0.912  -0.376
   13    HA   LEU   3           HA       LEU   3  -1.178   1.872   0.873
   14   1HB   LEU   3          HB2       LEU   3  -0.986   0.318  -1.697
   15   2HB   LEU   3          HB1       LEU   3  -2.334   1.269  -1.109
   16    HG   LEU   3           HG       LEU   3   0.058   2.112  -2.616
   17   1HD1  LEU   3          HD11      LEU   3  -2.568   3.522  -2.368
   18   2HD1  LEU   3          HD12      LEU   3  -2.403   2.056  -3.335
   19   3HD1  LEU   3          HD13      LEU   3  -1.447   3.485  -3.729
   20   1HD2  LEU   3          HD21      LEU   3   0.758   3.432  -0.904
   21   2HD2  LEU   3          HD22      LEU   3  -0.847   3.544  -0.182
   22   3HD2  LEU   3          HD23      LEU   3  -0.454   4.499  -1.611
   23    HA   PRO   4           HA       PRO   4  -0.952  -2.152   2.952
   24   1HB   PRO   4          HB2       PRO   4  -3.562  -1.156   3.965
   25   2HB   PRO   4          HB1       PRO   4  -2.182  -1.808   4.856
   26   1HG   PRO   4          HG2       PRO   4  -2.691   0.800   4.882
   27   2HG   PRO   4          HG1       PRO   4  -1.022   0.204   4.788
   28   1HD   PRO   4          HD2       PRO   4  -2.766   1.312   2.623
   29   2HD   PRO   4          HD1       PRO   4  -1.032   1.565   2.914
   30    H    TRP   5           HN       TRP   5  -3.286  -0.919   0.744
   31    HA   TRP   5           HA       TRP   5  -4.432  -3.617   0.485
   32   1HB   TRP   5          HB2       TRP   5  -6.356  -2.022  -0.607
   33   2HB   TRP   5          HB1       TRP   5  -6.367  -2.612   1.051
   34    HD1  TRP   5           HD1      TRP   5  -5.026   0.502  -0.851
   35    HE1  TRP   5           HE1      TRP   5  -5.326   2.549   0.678
   36    HE3  TRP   5           HE3      TRP   5  -6.916  -1.841   3.278
   37    HZ2  TRP   5           HZ2      TRP   5  -6.241   3.098   3.292
   38    HZ3  TRP   5           HZ3      TRP   5  -7.477  -0.484   5.252
   39    HH2  TRP   5           HH2      TRP   5  -7.145   1.935   5.258
   40    H    SER   6           HN       SER   6  -2.261  -1.782  -1.010
   41    HA   SER   6           HA       SER   6  -2.584  -3.089  -3.489
   42   1HB   SER   6          HB2       SER   6  -3.759  -0.381  -3.239
   43   2HB   SER   6          HB1       SER   6  -2.837  -0.711  -4.706
   44    HG   SER   6           HG       SER   6  -4.180  -2.578  -4.989
   45    H    ASP   7           HN       ASP   7  -0.532  -2.158  -1.432
   46    HA   ASP   7           HA       ASP   7   1.656  -2.064  -3.134
   47   1HB   ASP   7          HB2       ASP   7   0.385   0.397  -3.138
   48   2HB   ASP   7          HB1       ASP   7   1.743   0.626  -2.043
   49    H    GLY   8           HN       GLY   8   1.894  -3.628  -1.322
   50   1HA   GLY   8          HA2       GLY   8   3.031  -4.298   0.555
   51   2HA   GLY   8          HA1       GLY   8   3.888  -2.767   0.458
   52    HA   PRO   9           HA       PRO   9   0.673  -2.713   3.953
   53   1HB   PRO   9          HB2       PRO   9   1.596  -4.262   5.915
   54   2HB   PRO   9          HB1       PRO   9   0.695  -4.953   4.560
   55   1HG   PRO   9          HG2       PRO   9   3.640  -4.932   5.065
   56   2HG   PRO   9          HG1       PRO   9   2.624  -6.227   4.409
   57   1HD   PRO   9          HD2       PRO   9   4.175  -4.482   2.899
   58   2HD   PRO   9          HD1       PRO   9   2.812  -5.435   2.283
   59    H    CYS  10           HN       CYS  10   1.408  -0.571   4.181
   60    HA   CYS  10           HA       CYS  10   3.869   0.227   5.240
   61   1HB   CYS  10          HB2       CYS  10   1.454   1.478   4.428
   62   2HB   CYS  10          HB1       CYS  10   1.825   2.074   6.040
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1   5.535   4.377   2.541
    2   2H    ALA   1           HT2      ALA   1   4.153   4.724   1.585
    3   3H    ALA   1           HT3      ALA   1   5.033   3.272   1.332
    4    HA   ALA   1           HA       ALA   1   4.503   2.812   3.755
    5   1HB   ALA   1          HB1       ALA   1   2.128   4.533   3.131
    6   2HB   ALA   1          HB2       ALA   1   3.546   5.185   3.954
    7   3HB   ALA   1          HB3       ALA   1   2.636   3.859   4.680
    8    H    CYS   2           HN       CYS   2   1.749   2.181   3.909
    9    HA   CYS   2           HA       CYS   2   1.621  -0.070   2.245
   10   1HB   CYS   2          HB2       CYS   2  -0.093   1.314   4.258
   11   2HB   CYS   2          HB1       CYS   2  -0.756   0.022   3.302
   12    H    LEU   3           HN       LEU   3  -0.269  -0.554   0.828
   13    HA   LEU   3           HA       LEU   3  -0.926   1.804  -0.800
   14   1HB   LEU   3          HB2       LEU   3  -0.833  -1.134  -1.423
   15   2HB   LEU   3          HB1       LEU   3  -1.609   0.011  -2.496
   16    HG   LEU   3           HG       LEU   3   1.307  -0.242  -1.824
   17   1HD1  LEU   3          HD11      LEU   3  -0.421  -0.836  -4.069
   18   2HD1  LEU   3          HD12      LEU   3   1.240  -1.346  -3.756
   19   3HD1  LEU   3          HD13      LEU   3   0.925   0.209  -4.533
   20   1HD2  LEU   3          HD21      LEU   3   0.890   2.101  -1.580
   21   2HD2  LEU   3          HD22      LEU   3  -0.104   2.131  -3.036
   22   3HD2  LEU   3          HD23      LEU   3   1.633   1.847  -3.160
   23    HA   PRO   4           HA       PRO   4  -5.148   1.926   0.586
   24   1HB   PRO   4          HB2       PRO   4  -5.632   2.539  -2.298
   25   2HB   PRO   4          HB1       PRO   4  -6.215   3.384  -0.859
   26   1HG   PRO   4          HG2       PRO   4  -4.227   4.403  -2.280
   27   2HG   PRO   4          HG1       PRO   4  -4.177   4.456  -0.507
   28   1HD   PRO   4          HD2       PRO   4  -2.695   2.680  -2.395
   29   2HD   PRO   4          HD1       PRO   4  -2.166   3.385  -0.854
   30    H    TRP   5           HN       TRP   5  -4.445   0.419  -2.555
   31    HA   TRP   5           HA       TRP   5  -6.627  -1.491  -2.086
   32   1HB   TRP   5          HB2       TRP   5  -5.670  -1.869  -4.698
   33   2HB   TRP   5          HB1       TRP   5  -7.171  -1.092  -4.215
   34    HD1  TRP   5           HD1      TRP   5  -7.387   1.459  -4.676
   35    HE1  TRP   5           HE1      TRP   5  -5.847   3.234  -5.726
   36    HE3  TRP   5           HE3      TRP   5  -3.053  -1.231  -4.845
   37    HZ2  TRP   5           HZ2      TRP   5  -3.148   3.462  -6.518
   38    HZ3  TRP   5           HZ3      TRP   5  -1.035  -0.167  -5.768
   39    HH2  TRP   5           HH2      TRP   5  -1.082   2.133  -6.585
   40    H    SER   6           HN       SER   6  -3.283  -1.271  -1.871
   41    HA   SER   6           HA       SER   6  -3.066  -4.194  -1.996
   42   1HB   SER   6          HB2       SER   6  -1.972  -2.797  -3.946
   43   2HB   SER   6          HB1       SER   6  -0.716  -2.489  -2.747
   44    HG   SER   6           HG       SER   6  -1.238  -4.752  -4.167
   45    H    ASP   7           HN       ASP   7  -0.157  -3.805  -1.291
   46    HA   ASP   7           HA       ASP   7  -0.446  -2.873   1.473
   47   1HB   ASP   7          HB2       ASP   7   0.757  -4.834   2.303
   48   2HB   ASP   7          HB1       ASP   7  -0.692  -5.333   1.437
   49    H    GLY   8           HN       GLY   8   2.420  -4.114   1.763
   50   1HA   GLY   8          HA2       GLY   8   4.520  -3.498   0.611
   51   2HA   GLY   8          HA1       GLY   8   3.806  -1.915   0.363
   52    HA   PRO   9           HA       PRO   9   6.495  -2.059   4.268
   53   1HB   PRO   9          HB2       PRO   9   8.063   0.074   3.520
   54   2HB   PRO   9          HB1       PRO   9   8.490  -1.619   3.243
   55   1HG   PRO   9          HG2       PRO   9   7.289   0.369   1.359
   56   2HG   PRO   9          HG1       PRO   9   8.537  -0.854   1.054
   57   1HD   PRO   9          HD2       PRO   9   5.973  -1.210   0.303
   58   2HD   PRO   9          HD1       PRO   9   6.990  -2.561   0.845
   59    H    CYS  10           HN       CYS  10   4.602  -1.327   5.325
   60    HA   CYS  10           HA       CYS  10   3.391   1.157   5.021
   61   1HB   CYS  10          HB2       CYS  10   3.203  -1.050   6.806
   62   2HB   CYS  10          HB1       CYS  10   3.293   0.413   7.779
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1   4.592   3.885   0.642
    2   2H    ALA   1           HT2      ALA   1   5.143   5.295   1.451
    3   3H    ALA   1           HT3      ALA   1   3.973   5.421   0.202
    4    HA   ALA   1           HA       ALA   1   3.694   4.379   2.917
    5   1HB   ALA   1          HB1       ALA   1   2.333   6.137   3.253
    6   2HB   ALA   1          HB2       ALA   1   1.635   6.041   1.635
    7   3HB   ALA   1          HB3       ALA   1   3.199   6.820   1.876
    8    H    CYS   2           HN       CYS   2   2.708   2.492   3.119
    9    HA   CYS   2           HA       CYS   2   1.720   0.803   1.330
   10   1HB   CYS   2          HB2       CYS   2  -0.137   0.627   3.476
   11   2HB   CYS   2          HB1       CYS   2   1.284  -0.350   3.165
   12    H    LEU   3           HN       LEU   3  -0.087   0.444   0.115
   13    HA   LEU   3           HA       LEU   3  -2.096   2.598   0.133
   14   1HB   LEU   3          HB2       LEU   3  -1.047   0.860  -2.081
   15   2HB   LEU   3          HB1       LEU   3  -2.549   1.750  -2.240
   16    HG   LEU   3           HG       LEU   3   0.080   3.073  -1.592
   17   1HD1  LEU   3          HD11      LEU   3  -0.708   3.685  -4.219
   18   2HD1  LEU   3          HD12      LEU   3  -0.782   1.929  -4.070
   19   3HD1  LEU   3          HD13      LEU   3   0.714   2.783  -3.694
   20   1HD2  LEU   3          HD21      LEU   3  -1.160   5.064  -2.497
   21   2HD2  LEU   3          HD22      LEU   3  -1.761   4.435  -0.963
   22   3HD2  LEU   3          HD23      LEU   3  -2.622   4.078  -2.460
   23    HA   PRO   4           HA       PRO   4  -5.397  -0.091   1.225
   24   1HB   PRO   4          HB2       PRO   4  -6.926   0.965  -1.088
   25   2HB   PRO   4          HB1       PRO   4  -7.335   0.980   0.631
   26   1HG   PRO   4          HG2       PRO   4  -6.570   3.210  -0.605
   27   2HG   PRO   4          HG1       PRO   4  -6.042   2.863   1.053
   28   1HD   PRO   4          HD2       PRO   4  -4.534   2.579  -1.518
   29   2HD   PRO   4          HD1       PRO   4  -3.973   3.183   0.056
   30    H    TRP   5           HN       TRP   5  -5.104   0.173  -2.318
   31    HA   TRP   5           HA       TRP   5  -5.999  -2.552  -2.672
   32   1HB   TRP   5          HB2       TRP   5  -4.820  -1.392  -5.053
   33   2HB   TRP   5          HB1       TRP   5  -6.471  -1.927  -4.772
   34    HD1  TRP   5           HD1      TRP   5  -8.266  -0.072  -4.111
   35    HE1  TRP   5           HE1      TRP   5  -8.241   2.496  -4.274
   36    HE3  TRP   5           HE3      TRP   5  -3.257   0.642  -4.817
   37    HZ2  TRP   5           HZ2      TRP   5  -6.342   4.554  -4.650
   38    HZ3  TRP   5           HZ3      TRP   5  -2.415   2.941  -5.068
   39    HH2  TRP   5           HH2      TRP   5  -3.928   4.856  -4.987
   40    H    SER   6           HN       SER   6  -3.076  -1.088  -1.949
   41    HA   SER   6           HA       SER   6  -1.642  -3.549  -2.319
   42   1HB   SER   6          HB2       SER   6  -1.254  -1.256  -4.165
   43   2HB   SER   6          HB1       SER   6   0.210  -2.024  -3.552
   44    HG   SER   6           HG       SER   6  -0.495  -3.021  -5.469
   45    H    ASP   7           HN       ASP   7  -1.714  -3.145   0.006
   46    HA   ASP   7           HA       ASP   7  -0.641  -0.964   1.312
   47   1HB   ASP   7          HB2       ASP   7   0.007  -2.791   3.105
   48   2HB   ASP   7          HB1       ASP   7  -1.679  -2.407   2.776
   49    H    GLY   8           HN       GLY   8   1.321  -3.778   1.939
   50   1HA   GLY   8          HA2       GLY   8   3.501  -4.164   0.939
   51   2HA   GLY   8          HA1       GLY   8   3.615  -2.432   0.664
   52    HA   PRO   9           HA       PRO   9   5.792  -3.575   4.663
   53   1HB   PRO   9          HB2       PRO   9   8.247  -2.656   3.996
   54   2HB   PRO   9          HB1       PRO   9   7.709  -4.295   3.610
   55   1HG   PRO   9          HG2       PRO   9   7.798  -1.870   1.854
   56   2HG   PRO   9          HG1       PRO   9   8.278  -3.537   1.484
   57   1HD   PRO   9          HD2       PRO   9   5.898  -2.486   0.710
   58   2HD   PRO   9          HD1       PRO   9   6.110  -4.207   1.093
   59    H    CYS  10           HN       CYS  10   4.823  -2.024   5.898
   60    HA   CYS  10           HA       CYS  10   5.302   0.789   5.354
   61   1HB   CYS  10          HB2       CYS  10   3.785  -0.338   7.702
   62   2HB   CYS  10          HB1       CYS  10   3.628   1.253   6.967
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1   5.443   4.551   0.573
    2   2H    ALA   1           HT2      ALA   1   5.380   4.802   2.270
    3   3H    ALA   1           HT3      ALA   1   5.503   6.143   1.206
    4    HA   ALA   1           HA       ALA   1   3.289   5.720   2.182
    5   1HB   ALA   1          HB1       ALA   1   2.189   6.450   0.242
    6   2HB   ALA   1          HB2       ALA   1   3.311   5.597  -0.818
    7   3HB   ALA   1          HB3       ALA   1   3.848   7.024   0.068
    8    H    CYS   2           HN       CYS   2   1.713   4.287   2.593
    9    HA   CYS   2           HA       CYS   2   2.036   1.575   1.618
   10   1HB   CYS   2          HB2       CYS   2   1.150   2.800   4.005
   11   2HB   CYS   2          HB1       CYS   2  -0.212   1.926   3.351
   12    H    LEU   3           HN       LEU   3   0.197   0.368   0.847
   13    HA   LEU   3           HA       LEU   3  -1.624   2.037  -0.743
   14   1HB   LEU   3          HB2       LEU   3  -0.244  -0.517  -1.224
   15   2HB   LEU   3          HB1       LEU   3  -1.903  -0.468  -1.774
   16    HG   LEU   3           HG       LEU   3   0.302   0.343  -3.200
   17   1HD1  LEU   3          HD11      LEU   3  -1.369  -0.043  -4.627
   18   2HD1  LEU   3          HD12      LEU   3  -1.777   1.660  -4.417
   19   3HD1  LEU   3          HD13      LEU   3  -2.599   0.431  -3.455
   20   1HD2  LEU   3          HD21      LEU   3   0.348   2.671  -3.418
   21   2HD2  LEU   3          HD22      LEU   3   0.310   2.396  -1.677
   22   3HD2  LEU   3          HD23      LEU   3  -1.160   2.875  -2.526
   23    HA   PRO   4           HA       PRO   4  -5.013   0.983   1.923
   24   1HB   PRO   4          HB2       PRO   4  -6.470   1.146  -0.682
   25   2HB   PRO   4          HB1       PRO   4  -6.869   1.879   0.877
   26   1HG   PRO   4          HG2       PRO   4  -5.810   3.356  -1.051
   27   2HG   PRO   4          HG1       PRO   4  -5.289   3.571   0.632
   28   1HD   PRO   4          HD2       PRO   4  -3.890   2.216  -1.630
   29   2HD   PRO   4          HD1       PRO   4  -3.215   3.171  -0.294
   30    H    TRP   5           HN       TRP   5  -4.251  -0.722  -1.041
   31    HA   TRP   5           HA       TRP   5  -5.131  -3.204   0.149
   32   1HB   TRP   5          HB2       TRP   5  -6.425  -3.602  -2.157
   33   2HB   TRP   5          HB1       TRP   5  -7.217  -2.921  -0.740
   34    HD1  TRP   5           HD1      TRP   5  -8.480  -0.728  -1.157
   35    HE1  TRP   5           HE1      TRP   5  -8.452   1.099  -2.972
   36    HE3  TRP   5           HE3      TRP   5  -4.563  -2.417  -3.962
   37    HZ2  TRP   5           HZ2      TRP   5  -6.977   1.733  -5.288
   38    HZ3  TRP   5           HZ3      TRP   5  -3.906  -1.149  -5.965
   39    HH2  TRP   5           HH2      TRP   5  -5.091   0.886  -6.613
   40    H    SER   6           HN       SER   6  -2.577  -2.160  -0.750
   41    HA   SER   6           HA       SER   6  -1.702  -4.412  -2.238
   42   1HB   SER   6          HB2       SER   6  -2.716  -3.121  -4.080
   43   2HB   SER   6          HB1       SER   6  -1.665  -1.760  -3.691
   44    HG   SER   6           HG       SER   6  -1.024  -4.246  -4.824
   45    H    ASP   7           HN       ASP   7   0.465  -2.618  -3.424
   46    HA   ASP   7           HA       ASP   7   2.585  -3.086  -1.897
   47   1HB   ASP   7          HB2       ASP   7   1.919  -0.846  -3.724
   48   2HB   ASP   7          HB1       ASP   7   3.343  -0.643  -2.707
   49    H    GLY   8           HN       GLY   8   2.101  -3.076   0.289
   50   1HA   GLY   8          HA2       GLY   8   2.334  -0.422   1.524
   51   2HA   GLY   8          HA1       GLY   8   1.020  -1.472   2.030
   52    HA   PRO   9           HA       PRO   9   5.069  -3.518   3.622
   53   1HB   PRO   9          HB2       PRO   9   7.361  -2.118   3.490
   54   2HB   PRO   9          HB1       PRO   9   6.785  -3.090   2.129
   55   1HG   PRO   9          HG2       PRO   9   6.579  -0.136   2.568
   56   2HG   PRO   9          HG1       PRO   9   6.997  -1.020   1.089
   57   1HD   PRO   9          HD2       PRO   9   4.508  -0.004   1.596
   58   2HD   PRO   9          HD1       PRO   9   4.800  -1.417   0.562
   59    H    CYS  10           HN       CYS  10   3.304  -2.197   5.089
   60    HA   CYS  10           HA       CYS  10   4.871  -0.626   7.026
   61   1HB   CYS  10          HB2       CYS  10   1.870  -0.586   6.668
   62   2HB   CYS  10          HB1       CYS  10   2.835   0.492   7.670
  Start of MODEL   20
    1   1H    ALA   1           HT1      ALA   1   3.414   7.146   2.718
    2   2H    ALA   1           HT2      ALA   1   3.434   6.469   1.141
    3   3H    ALA   1           HT3      ALA   1   3.953   5.536   2.485
    4    HA   ALA   1           HA       ALA   1   1.755   5.629   3.406
    5   1HB   ALA   1          HB1       ALA   1   0.039   6.332   1.480
    6   2HB   ALA   1          HB2       ALA   1   1.366   7.427   1.092
    7   3HB   ALA   1          HB3       ALA   1   0.634   7.463   2.696
    8    H    CYS   2           HN       CYS   2   1.923   3.449   3.321
    9    HA   CYS   2           HA       CYS   2   2.500   1.731   1.361
   10   1HB   CYS   2          HB2       CYS   2   0.274   0.544   2.677
   11   2HB   CYS   2          HB1       CYS   2   1.985   0.286   2.952
   12    H    LEU   3           HN       LEU   3   1.250   0.350  -0.059
   13    HA   LEU   3           HA       LEU   3  -0.368   1.756  -1.838
   14   1HB   LEU   3          HB2       LEU   3   0.342  -1.087  -1.412
   15   2HB   LEU   3          HB1       LEU   3  -1.075  -0.775  -2.397
   16    HG   LEU   3           HG       LEU   3   0.308   0.642  -3.888
   17   1HD1  LEU   3          HD11      LEU   3   2.680   0.711  -3.691
   18   2HD1  LEU   3          HD12      LEU   3   2.660  -0.422  -2.340
   19   3HD1  LEU   3          HD13      LEU   3   2.005   1.203  -2.138
   20   1HD2  LEU   3          HD21      LEU   3  -0.063  -1.904  -4.109
   21   2HD2  LEU   3          HD22      LEU   3   1.634  -2.031  -3.644
   22   3HD2  LEU   3          HD23      LEU   3   1.182  -1.137  -5.096
   23    HA   PRO   4           HA       PRO   4  -4.277   1.962   0.295
   24   1HB   PRO   4          HB2       PRO   4  -5.380   2.012  -2.464
   25   2HB   PRO   4          HB1       PRO   4  -5.631   3.144  -1.131
   26   1HG   PRO   4          HG2       PRO   4  -4.073   3.796  -3.186
   27   2HG   PRO   4          HG1       PRO   4  -3.636   4.261  -1.531
   28   1HD   PRO   4          HD2       PRO   4  -2.546   2.056  -3.233
   29   2HD   PRO   4          HD1       PRO   4  -1.698   3.141  -2.111
   30    H    TRP   5           HN       TRP   5  -4.552   0.200  -2.782
   31    HA   TRP   5           HA       TRP   5  -6.483  -1.624  -1.785
   32   1HB   TRP   5          HB2       TRP   5  -5.890  -2.871  -3.967
   33   2HB   TRP   5          HB1       TRP   5  -6.599  -1.265  -4.090
   34    HD1  TRP   5           HD1      TRP   5  -2.923  -2.498  -3.756
   35    HE1  TRP   5           HE1      TRP   5  -1.520  -1.277  -5.535
   36    HE3  TRP   5           HE3      TRP   5  -6.617   0.284  -5.928
   37    HZ2  TRP   5           HZ2      TRP   5  -1.927   0.619  -7.587
   38    HZ3  TRP   5           HZ3      TRP   5  -6.028   1.779  -7.792
   39    HH2  TRP   5           HH2      TRP   5  -3.731   1.942  -8.602
   40    H    SER   6           HN       SER   6  -3.151  -1.518  -1.296
   41    HA   SER   6           HA       SER   6  -3.187  -4.293  -0.382
   42   1HB   SER   6          HB2       SER   6  -1.236  -4.927  -1.512
   43   2HB   SER   6          HB1       SER   6  -2.116  -4.001  -2.727
   44    HG   SER   6           HG       SER   6   0.241  -3.537  -2.295
   45    H    ASP   7           HN       ASP   7  -0.188  -3.940   0.021
   46    HA   ASP   7           HA       ASP   7  -0.154  -1.926   2.129
   47   1HB   ASP   7          HB2       ASP   7  -0.288  -4.794   2.588
   48   2HB   ASP   7          HB1       ASP   7   1.155  -4.088   3.309
   49    H    GLY   8           HN       GLY   8   2.034  -4.646   1.493
   50   1HA   GLY   8          HA2       GLY   8   4.170  -4.690   0.622
   51   2HA   GLY   8          HA1       GLY   8   3.916  -3.056   0.031
   52    HA   PRO   9           HA       PRO   9   6.969  -2.124   3.179
   53   1HB   PRO   9          HB2       PRO   9   7.176   0.527   2.689
   54   2HB   PRO   9          HB1       PRO   9   7.907  -0.691   1.637
   55   1HG   PRO   9          HG2       PRO   9   5.341   0.812   1.295
   56   2HG   PRO   9          HG1       PRO   9   6.592   0.447   0.092
   57   1HD   PRO   9          HD2       PRO   9   4.286  -0.974   0.301
   58   2HD   PRO   9          HD1       PRO   9   5.813  -1.691  -0.252
   59    H    CYS  10           HN       CYS  10   4.980  -2.647   4.610
   60    HA   CYS  10           HA       CYS  10   4.688  -0.515   6.474
   61   1HB   CYS  10          HB2       CYS  10   2.580  -0.932   4.473
   62   2HB   CYS  10          HB1       CYS  10   1.995  -0.941   6.133
  Start of MODEL   21
    1   1H    ALA   1           HT1      ALA   1   5.393   4.323   2.719
    2   2H    ALA   1           HT2      ALA   1   4.759   2.855   2.095
    3   3H    ALA   1           HT3      ALA   1   4.515   3.267   3.744
    4    HA   ALA   1           HA       ALA   1   3.016   4.878   3.277
    5   1HB   ALA   1          HB1       ALA   1   4.017   6.235   1.702
    6   2HB   ALA   1          HB2       ALA   1   2.682   5.539   0.784
    7   3HB   ALA   1          HB3       ALA   1   4.314   4.901   0.587
    8    H    CYS   2           HN       CYS   2   2.484   2.360   3.741
    9    HA   CYS   2           HA       CYS   2   1.479   0.539   2.123
   10   1HB   CYS   2          HB2       CYS   2  -0.616   0.910   4.012
   11   2HB   CYS   2          HB1       CYS   2   0.697  -0.251   4.032
   12    H    LEU   3           HN       LEU   3   0.170   0.452   0.432
   13    HA   LEU   3           HA       LEU   3  -1.763   2.622   0.028
   14   1HB   LEU   3          HB2       LEU   3  -0.880   0.560  -1.982
   15   2HB   LEU   3          HB1       LEU   3  -1.736   2.057  -2.296
   16    HG   LEU   3           HG       LEU   3   0.362   3.226  -1.357
   17   1HD1  LEU   3          HD11      LEU   3   2.405   1.729  -1.977
   18   2HD1  LEU   3          HD12      LEU   3   1.290   0.405  -1.640
   19   3HD1  LEU   3          HD13      LEU   3   1.655   1.590  -0.387
   20   1HD2  LEU   3          HD21      LEU   3   0.724   1.749  -3.950
   21   2HD2  LEU   3          HD22      LEU   3   1.308   3.355  -3.514
   22   3HD2  LEU   3          HD23      LEU   3  -0.417   3.081  -3.760
   23    HA   PRO   4           HA       PRO   4  -5.331   0.172   0.852
   24   1HB   PRO   4          HB2       PRO   4  -6.441   1.258  -1.686
   25   2HB   PRO   4          HB1       PRO   4  -7.118   1.294  -0.055
   26   1HG   PRO   4          HG2       PRO   4  -6.064   3.487  -1.133
   27   2HG   PRO   4          HG1       PRO   4  -5.825   3.112   0.585
   28   1HD   PRO   4          HD2       PRO   4  -3.929   2.808  -1.707
   29   2HD   PRO   4          HD1       PRO   4  -3.609   3.317  -0.036
   30    H    TRP   5           HN       TRP   5  -5.026   0.352  -2.692
   31    HA   TRP   5           HA       TRP   5  -5.957  -2.233  -3.193
   32   1HB   TRP   5          HB2       TRP   5  -4.674  -1.912  -5.417
   33   2HB   TRP   5          HB1       TRP   5  -5.986  -0.801  -5.039
   34    HD1  TRP   5           HD1      TRP   5  -2.188  -0.763  -4.185
   35    HE1  TRP   5           HE1      TRP   5  -1.279   1.573  -4.764
   36    HE3  TRP   5           HE3      TRP   5  -6.484   1.363  -5.956
   37    HZ2  TRP   5           HZ2      TRP   5  -2.255   3.999  -5.827
   38    HZ3  TRP   5           HZ3      TRP   5  -6.413   3.697  -6.733
   39    HH2  TRP   5           HH2      TRP   5  -4.341   4.987  -6.669
   40    H    SER   6           HN       SER   6  -2.896  -1.171  -2.054
   41    HA   SER   6           HA       SER   6  -1.977  -3.858  -1.745
   42   1HB   SER   6          HB2       SER   6  -0.014  -3.767  -3.141
   43   2HB   SER   6          HB1       SER   6  -1.410  -3.386  -4.149
   44    HG   SER   6           HG       SER   6   0.532  -1.980  -4.307
   45    H    ASP   7           HN       ASP   7  -1.830  -3.279   0.416
   46    HA   ASP   7           HA       ASP   7  -0.659  -0.997   1.468
   47   1HB   ASP   7          HB2       ASP   7  -0.951  -3.786   2.572
   48   2HB   ASP   7          HB1       ASP   7  -0.234  -2.483   3.515
   49    H    GLY   8           HN       GLY   8   0.969  -4.113   1.932
   50   1HA   GLY   8          HA2       GLY   8   3.160  -4.737   1.526
   51   2HA   GLY   8          HA1       GLY   8   3.374  -3.253   0.608
   52    HA   PRO   9           HA       PRO   9   5.693  -2.985   4.688
   53   1HB   PRO   9          HB2       PRO   9   8.076  -2.251   3.588
   54   2HB   PRO   9          HB1       PRO   9   7.615  -3.933   3.869
   55   1HG   PRO   9          HG2       PRO   9   7.495  -2.332   1.343
   56   2HG   PRO   9          HG1       PRO   9   8.030  -4.006   1.583
   57   1HD   PRO   9          HD2       PRO   9   5.584  -3.400   0.613
   58   2HD   PRO   9          HD1       PRO   9   5.869  -4.821   1.639
   59    H    CYS  10           HN       CYS  10   4.698  -1.146   5.394
   60    HA   CYS  10           HA       CYS  10   4.546   1.294   4.039
   61   1HB   CYS  10          HB2       CYS  10   4.603   0.984   7.042
   62   2HB   CYS  10          HB1       CYS  10   3.812   2.248   6.108
  Start of MODEL   22
    1   1H    ALA   1           HT1      ALA   1   3.461   6.480   3.949
    2   2H    ALA   1           HT2      ALA   1   2.457   5.575   5.008
    3   3H    ALA   1           HT3      ALA   1   2.237   7.269   4.852
    4    HA   ALA   1           HA       ALA   1   0.556   6.104   3.679
    5   1HB   ALA   1          HB1       ALA   1   2.395   7.203   1.590
    6   2HB   ALA   1          HB2       ALA   1   1.721   8.255   2.835
    7   3HB   ALA   1          HB3       ALA   1   0.647   7.378   1.745
    8    H    CYS   2           HN       CYS   2   0.413   3.910   3.537
    9    HA   CYS   2           HA       CYS   2   2.345   2.409   2.009
   10   1HB   CYS   2          HB2       CYS   2   0.549   1.900   4.137
   11   2HB   CYS   2          HB1       CYS   2   0.053   0.883   2.802
   12    H    LEU   3           HN       LEU   3   0.632   0.415   0.958
   13    HA   LEU   3           HA       LEU   3  -0.455   1.891  -1.323
   14   1HB   LEU   3          HB2       LEU   3   0.898  -0.623  -0.975
   15   2HB   LEU   3          HB1       LEU   3  -0.628  -0.876  -1.802
   16    HG   LEU   3           HG       LEU   3   1.588   0.974  -2.681
   17   1HD1  LEU   3          HD11      LEU   3   0.766  -1.781  -3.400
   18   2HD1  LEU   3          HD12      LEU   3   2.370  -1.050  -3.353
   19   3HD1  LEU   3          HD13      LEU   3   1.289  -0.716  -4.706
   20   1HD2  LEU   3          HD21      LEU   3  -0.044   0.833  -4.796
   21   2HD2  LEU   3          HD22      LEU   3  -0.165   2.095  -3.570
   22   3HD2  LEU   3          HD23      LEU   3  -1.237   0.696  -3.504
   23    HA   PRO   4           HA       PRO   4  -4.607   1.446   0.293
   24   1HB   PRO   4          HB2       PRO   4  -5.265   1.767  -2.594
   25   2HB   PRO   4          HB1       PRO   4  -5.898   2.636  -1.192
   26   1HG   PRO   4          HG2       PRO   4  -4.137   3.792  -2.815
   27   2HG   PRO   4          HG1       PRO   4  -4.053   4.037  -1.060
   28   1HD   PRO   4          HD2       PRO   4  -2.363   2.313  -2.819
   29   2HD   PRO   4          HD1       PRO   4  -1.905   3.263  -1.390
   30    H    TRP   5           HN       TRP   5  -4.234   0.089  -2.985
   31    HA   TRP   5           HA       TRP   5  -5.760  -2.257  -2.140
   32   1HB   TRP   5          HB2       TRP   5  -5.462  -2.738  -4.734
   33   2HB   TRP   5          HB1       TRP   5  -6.689  -1.625  -4.140
   34    HD1  TRP   5           HD1      TRP   5  -3.265  -1.637  -5.889
   35    HE1  TRP   5           HE1      TRP   5  -2.947   0.630  -7.066
   36    HE3  TRP   5           HE3      TRP   5  -7.407   0.784  -4.123
   37    HZ2  TRP   5           HZ2      TRP   5  -4.276   3.115  -7.225
   38    HZ3  TRP   5           HZ3      TRP   5  -7.811   3.105  -4.835
   39    HH2  TRP   5           HH2      TRP   5  -6.276   4.244  -6.354
   40    H    SER   6           HN       SER   6  -3.167  -2.041  -1.108
   41    HA   SER   6           HA       SER   6  -2.132  -4.549  -1.377
   42   1HB   SER   6          HB2       SER   6  -1.245  -2.764  -3.576
   43   2HB   SER   6          HB1       SER   6   0.017  -3.714  -2.792
   44    HG   SER   6           HG       SER   6  -1.318  -5.576  -3.196
   45    H    ASP   7           HN       ASP   7  -2.383  -3.087   0.750
   46    HA   ASP   7           HA       ASP   7  -0.815  -1.257   1.786
   47   1HB   ASP   7          HB2       ASP   7  -2.347  -2.895   3.021
   48   2HB   ASP   7          HB1       ASP   7  -0.918  -3.904   3.219
   49    H    GLY   8           HN       GLY   8   0.447  -4.592   2.027
   50   1HA   GLY   8          HA2       GLY   8   2.595  -5.394   1.976
   51   2HA   GLY   8          HA1       GLY   8   2.906  -4.132   0.794
   52    HA   PRO   9           HA       PRO   9   5.073  -3.262   4.933
   53   1HB   PRO   9          HB2       PRO   9   7.572  -4.112   4.393
   54   2HB   PRO   9          HB1       PRO   9   6.333  -5.195   5.039
   55   1HG   PRO   9          HG2       PRO   9   7.275  -4.868   2.216
   56   2HG   PRO   9          HG1       PRO   9   6.933  -6.358   3.114
   57   1HD   PRO   9          HD2       PRO   9   5.183  -5.244   1.347
   58   2HD   PRO   9          HD1       PRO   9   4.670  -6.204   2.749
   59    H    CYS  10           HN       CYS  10   4.826  -1.088   4.348
   60    HA   CYS  10           HA       CYS  10   6.720   0.017   2.408
   61   1HB   CYS  10          HB2       CYS  10   4.623   1.644   3.805
   62   2HB   CYS  10          HB1       CYS  10   5.325   1.875   2.208
  Start of MODEL   23
    1   1H    ALA   1           HT1      ALA   1   3.926   6.129   2.197
    2   2H    ALA   1           HT2      ALA   1   3.087   7.449   2.904
    3   3H    ALA   1           HT3      ALA   1   2.766   6.996   1.280
    4    HA   ALA   1           HA       ALA   1   2.072   5.612   3.765
    5   1HB   ALA   1          HB1       ALA   1  -0.109   5.528   2.233
    6   2HB   ALA   1          HB2       ALA   1   0.649   6.968   1.551
    7   3HB   ALA   1          HB3       ALA   1   0.272   6.900   3.272
    8    H    CYS   2           HN       CYS   2   0.573   3.655   3.109
    9    HA   CYS   2           HA       CYS   2   2.276   1.840   1.647
   10   1HB   CYS   2          HB2       CYS   2   0.480   1.672   3.819
   11   2HB   CYS   2          HB1       CYS   2  -0.177   0.664   2.545
   12    H    LEU   3           HN       LEU   3   0.465   0.020   0.657
   13    HA   LEU   3           HA       LEU   3  -0.285   1.275  -1.804
   14   1HB   LEU   3          HB2       LEU   3   0.065  -1.411  -0.801
   15   2HB   LEU   3          HB1       LEU   3  -1.418  -1.288  -1.728
   16    HG   LEU   3           HG       LEU   3   1.143  -0.227  -2.864
   17   1HD1  LEU   3          HD11      LEU   3   1.972  -2.246  -3.423
   18   2HD1  LEU   3          HD12      LEU   3   0.376  -2.978  -3.586
   19   3HD1  LEU   3          HD13      LEU   3   1.091  -2.770  -1.988
   20   1HD2  LEU   3          HD21      LEU   3  -1.569  -0.897  -3.801
   21   2HD2  LEU   3          HD22      LEU   3  -0.249  -1.337  -4.885
   22   3HD2  LEU   3          HD23      LEU   3  -0.443   0.337  -4.364
   23    HA   PRO   4           HA       PRO   4  -4.423   2.531  -0.835
   24   1HB   PRO   4          HB2       PRO   4  -5.029   1.707  -3.627
   25   2HB   PRO   4          HB1       PRO   4  -5.304   3.258  -2.826
   26   1HG   PRO   4          HG2       PRO   4  -3.336   2.977  -4.594
   27   2HG   PRO   4          HG1       PRO   4  -3.110   3.952  -3.129
   28   1HD   PRO   4          HD2       PRO   4  -2.137   1.191  -3.739
   29   2HD   PRO   4          HD1       PRO   4  -1.321   2.510  -2.875
   30    H    TRP   5           HN       TRP   5  -4.237  -0.325  -2.964
   31    HA   TRP   5           HA       TRP   5  -6.423  -1.532  -1.406
   32   1HB   TRP   5          HB2       TRP   5  -6.079  -3.071  -3.715
   33   2HB   TRP   5          HB1       TRP   5  -7.363  -1.911  -3.403
   34    HD1  TRP   5           HD1      TRP   5  -7.349   0.320  -4.783
   35    HE1  TRP   5           HE1      TRP   5  -5.918   1.189  -6.738
   36    HE3  TRP   5           HE3      TRP   5  -3.599  -3.148  -4.648
   37    HZ2  TRP   5           HZ2      TRP   5  -3.516   0.496  -8.049
   38    HZ3  TRP   5           HZ3      TRP   5  -1.771  -2.975  -6.286
   39    HH2  TRP   5           HH2      TRP   5  -1.732  -1.190  -7.951
   40    H    SER   6           HN       SER   6  -3.464  -1.519  -0.846
   41    HA   SER   6           HA       SER   6  -3.269  -4.291  -0.127
   42   1HB   SER   6          HB2       SER   6  -0.939  -3.280  -1.714
   43   2HB   SER   6          HB1       SER   6  -1.466  -4.939  -1.435
   44    HG   SER   6           HG       SER   6  -1.868  -3.693  -3.585
   45    H    ASP   7           HN       ASP   7  -0.270  -3.879   0.076
   46    HA   ASP   7           HA       ASP   7  -0.063  -1.741   2.023
   47   1HB   ASP   7          HB2       ASP   7  -0.058  -4.634   2.732
   48   2HB   ASP   7          HB1       ASP   7   1.085  -3.586   3.566
   49    H    GLY   8           HN       GLY   8   1.973  -4.624   1.727
   50   1HA   GLY   8          HA2       GLY   8   4.053  -4.890   0.739
   51   2HA   GLY   8          HA1       GLY   8   3.896  -3.284   0.046
   52    HA   PRO   9           HA       PRO   9   7.059  -2.300   3.053
   53   1HB   PRO   9          HB2       PRO   9   7.312   0.328   2.475
   54   2HB   PRO   9          HB1       PRO   9   7.962  -0.940   1.428
   55   1HG   PRO   9          HG2       PRO   9   5.423   0.622   1.156
   56   2HG   PRO   9          HG1       PRO   9   6.609   0.190  -0.089
   57   1HD   PRO   9          HD2       PRO   9   4.279  -1.162   0.263
   58   2HD   PRO   9          HD1       PRO   9   5.760  -1.934  -0.337
   59    H    CYS  10           HN       CYS  10   5.514  -2.692   4.807
   60    HA   CYS  10           HA       CYS  10   4.853  -0.197   6.168
   61   1HB   CYS  10          HB2       CYS  10   2.888  -2.153   5.166
   62   2HB   CYS  10          HB1       CYS  10   2.663  -1.674   6.845
  Start of MODEL   24
    1   1H    ALA   1           HT1      ALA   1   4.762   6.705   2.335
    2   2H    ALA   1           HT2      ALA   1   5.062   5.209   1.549
    3   3H    ALA   1           HT3      ALA   1   4.323   5.235   3.098
    4    HA   ALA   1           HA       ALA   1   2.416   6.302   2.226
    5   1HB   ALA   1          HB1       ALA   1   4.047   6.327  -0.290
    6   2HB   ALA   1          HB2       ALA   1   3.206   7.660   0.502
    7   3HB   ALA   1          HB3       ALA   1   2.286   6.411  -0.335
    8    H    CYS   2           HN       CYS   2   1.453   4.440   2.937
    9    HA   CYS   2           HA       CYS   2   1.829   1.956   1.511
   10   1HB   CYS   2          HB2       CYS   2   1.098   2.738   4.125
   11   2HB   CYS   2          HB1       CYS   2  -0.264   1.866   3.459
   12    H    LEU   3           HN       LEU   3  -0.097   0.691   0.848
   13    HA   LEU   3           HA       LEU   3  -2.276   2.405  -0.132
   14   1HB   LEU   3          HB2       LEU   3  -0.935   0.169  -1.647
   15   2HB   LEU   3          HB1       LEU   3  -2.404   0.963  -2.155
   16    HG   LEU   3           HG       LEU   3   0.372   1.767  -2.522
   17   1HD1  LEU   3          HD11      LEU   3  -2.221   2.683  -3.753
   18   2HD1  LEU   3          HD12      LEU   3  -1.215   1.355  -4.329
   19   3HD1  LEU   3          HD13      LEU   3  -0.603   3.007  -4.375
   20   1HD2  LEU   3          HD21      LEU   3  -1.501   3.642  -1.171
   21   2HD2  LEU   3          HD22      LEU   3  -0.460   4.262  -2.449
   22   3HD2  LEU   3          HD23      LEU   3   0.250   3.492  -1.033
   23    HA   PRO   4           HA       PRO   4  -4.902  -0.420   2.074
   24   1HB   PRO   4          HB2       PRO   4  -6.829   0.417  -0.037
   25   2HB   PRO   4          HB1       PRO   4  -7.018   0.412   1.720
   26   1HG   PRO   4          HG2       PRO   4  -6.629   2.693   0.431
   27   2HG   PRO   4          HG1       PRO   4  -5.818   2.391   1.981
   28   1HD   PRO   4          HD2       PRO   4  -4.713   2.259  -0.795
   29   2HD   PRO   4          HD1       PRO   4  -3.959   2.871   0.693
   30    H    TRP   5           HN       TRP   5  -4.112  -0.631  -1.292
   31    HA   TRP   5           HA       TRP   5  -4.780  -3.464  -1.266
   32   1HB   TRP   5          HB2       TRP   5  -5.836  -2.870  -3.678
   33   2HB   TRP   5          HB1       TRP   5  -6.793  -2.959  -2.201
   34    HD1  TRP   5           HD1      TRP   5  -8.343  -0.931  -1.912
   35    HE1  TRP   5           HE1      TRP   5  -8.281   1.554  -2.599
   36    HE3  TRP   5           HE3      TRP   5  -3.814  -0.826  -4.241
   37    HZ2  TRP   5           HZ2      TRP   5  -6.556   3.316  -3.954
   38    HZ3  TRP   5           HZ3      TRP   5  -3.019   1.289  -5.211
   39    HH2  TRP   5           HH2      TRP   5  -4.366   3.322  -5.068
   40    H    SER   6           HN       SER   6  -2.346  -1.538  -1.675
   41    HA   SER   6           HA       SER   6  -1.132  -3.191  -3.697
   42   1HB   SER   6          HB2       SER   6  -1.953  -0.397  -4.306
   43   2HB   SER   6          HB1       SER   6  -0.407  -0.959  -4.941
   44    HG   SER   6           HG       SER   6  -1.896  -1.496  -6.458
   45    H    ASP   7           HN       ASP   7  -0.705  -2.263  -0.863
   46    HA   ASP   7           HA       ASP   7   2.118  -2.165  -0.990
   47   1HB   ASP   7          HB2       ASP   7   0.736   0.395  -0.909
   48   2HB   ASP   7          HB1       ASP   7   1.840   0.188   0.444
   49    H    GLY   8           HN       GLY   8   1.949  -3.892   0.419
   50   1HA   GLY   8          HA2       GLY   8   0.522  -3.627   2.916
   51   2HA   GLY   8          HA1       GLY   8   1.474  -5.009   2.398
   52    HA   PRO   9           HA       PRO   9   4.911  -3.933   4.921
   53   1HB   PRO   9          HB2       PRO   9   7.027  -3.574   3.192
   54   2HB   PRO   9          HB1       PRO   9   6.430  -5.147   3.730
   55   1HG   PRO   9          HG2       PRO   9   5.874  -3.675   1.188
   56   2HG   PRO   9          HG1       PRO   9   6.174  -5.404   1.440
   57   1HD   PRO   9          HD2       PRO   9   3.696  -4.451   1.060
   58   2HD   PRO   9          HD1       PRO   9   4.009  -5.801   2.170
   59    H    CYS  10           HN       CYS  10   5.300  -2.098   5.969
   60    HA   CYS  10           HA       CYS  10   6.204   0.266   4.579
   61   1HB   CYS  10          HB2       CYS  10   3.488   0.105   5.857
   62   2HB   CYS  10          HB1       CYS  10   4.352   1.636   5.770
  Start of MODEL   25
    1   1H    ALA   1           HT1      ALA   1   1.856   5.984   2.241
    2   2H    ALA   1           HT2      ALA   1   3.553   5.747   2.336
    3   3H    ALA   1           HT3      ALA   1   2.733   6.596   3.581
    4    HA   ALA   1           HA       ALA   1   3.370   4.290   4.100
    5   1HB   ALA   1          HB1       ALA   1   0.577   5.349   4.269
    6   2HB   ALA   1          HB2       ALA   1   1.798   5.205   5.533
    7   3HB   ALA   1          HB3       ALA   1   0.976   3.765   4.933
    8    H    CYS   2           HN       CYS   2   1.873   2.158   4.157
    9    HA   CYS   2           HA       CYS   2   2.345   0.664   2.003
   10   1HB   CYS   2          HB2       CYS   2  -0.224  -0.189   2.886
   11   2HB   CYS   2          HB1       CYS   2   1.353  -0.857   3.256
   12    H    LEU   3           HN       LEU   3   1.062  -0.201   0.259
   13    HA   LEU   3           HA       LEU   3  -0.006   1.764  -1.408
   14   1HB   LEU   3          HB2       LEU   3  -0.332  -1.231  -1.488
   15   2HB   LEU   3          HB1       LEU   3  -0.822  -0.157  -2.784
   16    HG   LEU   3           HG       LEU   3   1.987  -0.656  -1.805
   17   1HD1  LEU   3          HD11      LEU   3   1.101  -0.991  -4.619
   18   2HD1  LEU   3          HD12      LEU   3   0.623  -2.216  -3.444
   19   3HD1  LEU   3          HD13      LEU   3   2.332  -1.864  -3.706
   20   1HD2  LEU   3          HD21      LEU   3   2.336   0.830  -4.000
   21   2HD2  LEU   3          HD22      LEU   3   2.260   1.517  -2.378
   22   3HD2  LEU   3          HD23      LEU   3   0.833   1.540  -3.413
   23    HA   PRO   4           HA       PRO   4  -4.180   2.398  -0.143
   24   1HB   PRO   4          HB2       PRO   4  -4.896   2.354  -3.019
   25   2HB   PRO   4          HB1       PRO   4  -5.136   3.627  -1.819
   26   1HG   PRO   4          HG2       PRO   4  -3.265   3.859  -3.704
   27   2HG   PRO   4          HG1       PRO   4  -2.978   4.437  -2.051
   28   1HD   PRO   4          HD2       PRO   4  -2.007   1.939  -3.384
   29   2HD   PRO   4          HD1       PRO   4  -1.154   3.030  -2.271
   30    H    TRP   5           HN       TRP   5  -4.014   0.271  -3.008
   31    HA   TRP   5           HA       TRP   5  -6.205  -1.318  -1.898
   32   1HB   TRP   5          HB2       TRP   5  -5.699  -2.463  -4.322
   33   2HB   TRP   5          HB1       TRP   5  -6.852  -1.163  -4.054
   34    HD1  TRP   5           HD1      TRP   5  -6.572   0.809  -5.651
   35    HE1  TRP   5           HE1      TRP   5  -4.656   1.787  -7.066
   36    HE3  TRP   5           HE3      TRP   5  -2.806  -2.316  -4.191
   37    HZ2  TRP   5           HZ2      TRP   5  -1.912   1.296  -7.506
   38    HZ3  TRP   5           HZ3      TRP   5  -0.565  -2.000  -5.156
   39    HH2  TRP   5           HH2      TRP   5  -0.129  -0.229  -6.779
   40    H    SER   6           HN       SER   6  -3.419  -1.411  -0.882
   41    HA   SER   6           HA       SER   6  -3.228  -4.232  -0.604
   42   1HB   SER   6          HB2       SER   6  -2.083  -3.560  -2.886
   43   2HB   SER   6          HB1       SER   6  -0.762  -3.058  -1.834
   44    HG   SER   6           HG       SER   6  -1.494  -5.542  -2.585
   45    H    ASP   7           HN       ASP   7  -0.254  -3.869  -0.083
   46    HA   ASP   7           HA       ASP   7  -0.134  -1.944   2.042
   47   1HB   ASP   7          HB2       ASP   7   0.587  -3.982   3.626
   48   2HB   ASP   7          HB1       ASP   7  -1.065  -3.382   3.547
   49    H    GLY   8           HN       GLY   8   1.601  -5.031   1.880
   50   1HA   GLY   8          HA2       GLY   8   3.833  -5.481   1.601
   51   2HA   GLY   8          HA1       GLY   8   3.797  -4.227   0.372
   52    HA   PRO   9           HA       PRO   9   6.566  -2.217   3.267
   53   1HB   PRO   9          HB2       PRO   9   7.363  -0.210   1.688
   54   2HB   PRO   9          HB1       PRO   9   7.879  -1.874   1.387
   55   1HG   PRO   9          HG2       PRO   9   5.740  -0.279   0.035
   56   2HG   PRO   9          HG1       PRO   9   6.934  -1.379  -0.675
   57   1HD   PRO   9          HD2       PRO   9   4.319  -2.058  -0.138
   58   2HD   PRO   9          HD1       PRO   9   5.651  -3.223  -0.262
   59    H    CYS  10           HN       CYS  10   4.715  -1.640   4.643
   60    HA   CYS  10           HA       CYS  10   3.054   0.561   4.224
   61   1HB   CYS  10          HB2       CYS  10   3.908  -1.020   6.587
   62   2HB   CYS  10          HB1       CYS  10   3.203   0.561   6.908
  Start of MODEL   26
    1   1H    ALA   1           HT1      ALA   1   4.894   4.686   0.834
    2   2H    ALA   1           HT2      ALA   1   3.491   4.284  -0.070
    3   3H    ALA   1           HT3      ALA   1   4.555   3.048   0.463
    4    HA   ALA   1           HA       ALA   1   4.019   3.441   2.698
    5   1HB   ALA   1          HB1       ALA   1   3.742   5.909   2.405
    6   2HB   ALA   1          HB2       ALA   1   2.512   5.146   3.413
    7   3HB   ALA   1          HB3       ALA   1   2.136   5.592   1.749
    8    H    CYS   2           HN       CYS   2   2.475   2.137   3.567
    9    HA   CYS   2           HA       CYS   2   1.151   0.257   2.279
   10   1HB   CYS   2          HB2       CYS   2  -0.691   1.039   4.301
   11   2HB   CYS   2          HB1       CYS   2   0.507  -0.241   4.330
   12    H    LEU   3           HN       LEU   3  -0.023   0.415   0.473
   13    HA   LEU   3           HA       LEU   3  -2.013   2.553   0.247
   14   1HB   LEU   3          HB2       LEU   3  -0.697   0.732  -1.740
   15   2HB   LEU   3          HB1       LEU   3  -2.163   1.601  -2.153
   16    HG   LEU   3           HG       LEU   3   0.367   2.946  -1.210
   17   1HD1  LEU   3          HD11      LEU   3   1.093   2.167  -3.230
   18   2HD1  LEU   3          HD12      LEU   3   0.288   3.647  -3.750
   19   3HD1  LEU   3          HD13      LEU   3  -0.532   2.095  -3.913
   20   1HD2  LEU   3          HD21      LEU   3  -2.127   3.938  -1.162
   21   2HD2  LEU   3          HD22      LEU   3  -1.675   4.342  -2.817
   22   3HD2  LEU   3          HD23      LEU   3  -0.696   4.921  -1.469
   23    HA   PRO   4           HA       PRO   4  -5.505   0.018   1.193
   24   1HB   PRO   4          HB2       PRO   4  -6.749   1.361  -1.161
   25   2HB   PRO   4          HB1       PRO   4  -7.356   1.193   0.490
   26   1HG   PRO   4          HG2       PRO   4  -6.362   3.509  -0.351
   27   2HG   PRO   4          HG1       PRO   4  -6.035   2.926   1.292
   28   1HD   PRO   4          HD2       PRO   4  -4.251   2.956  -1.102
   29   2HD   PRO   4          HD1       PRO   4  -3.851   3.211   0.610
   30    H    TRP   5           HN       TRP   5  -4.517   0.348  -2.187
   31    HA   TRP   5           HA       TRP   5  -5.672  -2.273  -2.793
   32   1HB   TRP   5          HB2       TRP   5  -4.407  -1.169  -5.094
   33   2HB   TRP   5          HB1       TRP   5  -6.125  -1.399  -4.800
   34    HD1  TRP   5           HD1      TRP   5  -3.535   1.264  -5.201
   35    HE1  TRP   5           HE1      TRP   5  -4.602   3.582  -4.873
   36    HE3  TRP   5           HE3      TRP   5  -8.055  -0.184  -3.298
   37    HZ2  TRP   5           HZ2      TRP   5  -7.037   4.655  -3.932
   38    HZ3  TRP   5           HZ3      TRP   5  -9.697   1.552  -2.709
   39    HH2  TRP   5           HH2      TRP   5  -9.196   3.921  -3.020
   40    H    SER   6           HN       SER   6  -2.664  -0.720  -2.198
   41    HA   SER   6           HA       SER   6  -1.288  -3.265  -2.610
   42   1HB   SER   6          HB2       SER   6  -0.727  -0.719  -4.037
   43   2HB   SER   6          HB1       SER   6   0.669  -1.629  -3.461
   44    HG   SER   6           HG       SER   6  -0.247  -2.118  -5.650
   45    H    ASP   7           HN       ASP   7  -1.719  -3.018  -0.219
   46    HA   ASP   7           HA       ASP   7  -0.683  -1.161   1.468
   47   1HB   ASP   7          HB2       ASP   7  -0.186  -3.268   2.999
   48   2HB   ASP   7          HB1       ASP   7  -1.833  -2.775   2.622
   49    H    GLY   8           HN       GLY   8   1.201  -4.116   1.670
   50   1HA   GLY   8          HA2       GLY   8   3.460  -4.490   1.261
   51   2HA   GLY   8          HA1       GLY   8   3.585  -2.864   0.606
   52    HA   PRO   9           HA       PRO   9   5.393  -3.186   4.992
   53   1HB   PRO   9          HB2       PRO   9   7.980  -2.645   4.322
   54   2HB   PRO   9          HB1       PRO   9   7.327  -4.284   4.430
   55   1HG   PRO   9          HG2       PRO   9   7.761  -2.572   2.013
   56   2HG   PRO   9          HG1       PRO   9   8.096  -4.300   2.236
   57   1HD   PRO   9          HD2       PRO   9   5.904  -3.415   0.933
   58   2HD   PRO   9          HD1       PRO   9   5.889  -4.897   1.910
   59    H    CYS  10           HN       CYS  10   4.585  -1.304   5.753
   60    HA   CYS  10           HA       CYS  10   4.812   1.206   4.510
   61   1HB   CYS  10          HB2       CYS  10   4.456   0.780   7.477
   62   2HB   CYS  10          HB1       CYS  10   3.883   2.129   6.502
  Start of MODEL   27
    1   1H    ALA   1           HT1      ALA   1   4.125   6.903   2.652
    2   2H    ALA   1           HT2      ALA   1   4.227   5.268   2.140
    3   3H    ALA   1           HT3      ALA   1   3.410   5.664   3.597
    4    HA   ALA   1           HA       ALA   1   1.651   6.594   2.533
    5   1HB   ALA   1          HB1       ALA   1   1.933   6.752  -0.119
    6   2HB   ALA   1          HB2       ALA   1   3.614   6.993   0.358
    7   3HB   ALA   1          HB3       ALA   1   2.360   8.071   0.971
    8    H    CYS   2           HN       CYS   2   2.661   3.885   3.006
    9    HA   CYS   2           HA       CYS   2   2.403   1.972   1.183
   10   1HB   CYS   2          HB2       CYS   2   0.723   1.093   3.306
   11   2HB   CYS   2          HB1       CYS   2   2.405   0.711   2.996
   12    H    LEU   3           HN       LEU   3   0.819   0.824   0.101
   13    HA   LEU   3           HA       LEU   3  -1.671   2.285  -0.315
   14   1HB   LEU   3          HB2       LEU   3  -0.274   0.106  -1.842
   15   2HB   LEU   3          HB1       LEU   3  -1.905   0.618  -2.232
   16    HG   LEU   3           HG       LEU   3  -1.120   2.858  -2.753
   17   1HD1  LEU   3          HD11      LEU   3   1.371   3.243  -2.839
   18   2HD1  LEU   3          HD12      LEU   3   1.543   1.794  -1.847
   19   3HD1  LEU   3          HD13      LEU   3   0.656   3.187  -1.228
   20   1HD2  LEU   3          HD21      LEU   3  -1.014   0.960  -4.434
   21   2HD2  LEU   3          HD22      LEU   3   0.722   0.920  -4.126
   22   3HD2  LEU   3          HD23      LEU   3  -0.024   2.377  -4.782
   23    HA   PRO   4           HA       PRO   4  -3.835  -0.597   2.359
   24   1HB   PRO   4          HB2       PRO   4  -6.203   0.492   0.946
   25   2HB   PRO   4          HB1       PRO   4  -5.861   0.419   2.677
   26   1HG   PRO   4          HG2       PRO   4  -5.728   2.729   1.358
   27   2HG   PRO   4          HG1       PRO   4  -4.560   2.339   2.634
   28   1HD   PRO   4          HD2       PRO   4  -4.228   2.230  -0.339
   29   2HD   PRO   4          HD1       PRO   4  -3.088   2.788   0.904
   30    H    TRP   5           HN       TRP   5  -4.220  -0.329  -1.098
   31    HA   TRP   5           HA       TRP   5  -5.388  -3.027  -1.194
   32   1HB   TRP   5          HB2       TRP   5  -5.673  -2.172  -3.730
   33   2HB   TRP   5          HB1       TRP   5  -6.871  -1.873  -2.476
   34    HD1  TRP   5           HD1      TRP   5  -3.678  -0.021  -3.713
   35    HE1  TRP   5           HE1      TRP   5  -4.224   2.491  -3.831
   36    HE3  TRP   5           HE3      TRP   5  -8.511  -0.166  -2.064
   37    HZ2  TRP   5           HZ2      TRP   5  -6.416   4.187  -3.294
   38    HZ3  TRP   5           HZ3      TRP   5  -9.764   1.945  -1.892
   39    HH2  TRP   5           HH2      TRP   5  -8.736   4.076  -2.493
   40    H    SER   6           HN       SER   6  -2.534  -1.278  -1.776
   41    HA   SER   6           HA       SER   6  -1.455  -3.510  -3.360
   42   1HB   SER   6          HB2       SER   6  -1.680  -1.026  -4.336
   43   2HB   SER   6          HB1       SER   6  -0.139  -0.844  -3.502
   44    HG   SER   6           HG       SER   6   0.426  -2.878  -4.674
   45    H    ASP   7           HN       ASP   7   1.217  -2.083  -3.026
   46    HA   ASP   7           HA       ASP   7   2.412  -3.592  -1.133
   47   1HB   ASP   7          HB2       ASP   7   4.154  -1.815  -0.967
   48   2HB   ASP   7          HB1       ASP   7   3.712  -2.214  -2.624
   49    H    GLY   8           HN       GLY   8   1.001  -3.843   0.629
   50   1HA   GLY   8          HA2       GLY   8   0.225  -1.661   2.299
   51   2HA   GLY   8          HA1       GLY   8   0.084  -3.368   2.689
   52    HA   PRO   9           HA       PRO   9   3.481  -3.543   5.484
   53   1HB   PRO   9          HB2       PRO   9   5.558  -4.726   3.975
   54   2HB   PRO   9          HB1       PRO   9   4.414  -5.552   5.034
   55   1HG   PRO   9          HG2       PRO   9   4.363  -5.220   2.080
   56   2HG   PRO   9          HG1       PRO   9   3.775  -6.565   3.074
   57   1HD   PRO   9          HD2       PRO   9   2.083  -4.830   1.942
   58   2HD   PRO   9          HD1       PRO   9   1.773  -5.489   3.562
   59    H    CYS  10           HN       CYS  10   3.828  -1.319   5.605
   60    HA   CYS  10           HA       CYS  10   5.390   0.146   3.754
   61   1HB   CYS  10          HB2       CYS  10   3.932   0.671   6.164
   62   2HB   CYS  10          HB1       CYS  10   5.528   1.402   6.296
  Start of MODEL   28
    1   1H    ALA   1           HT1      ALA   1   4.625   5.431   2.545
    2   2H    ALA   1           HT2      ALA   1   4.398   3.749   2.293
    3   3H    ALA   1           HT3      ALA   1   3.469   4.575   3.476
    4    HA   ALA   1           HA       ALA   1   2.211   5.658   1.948
    5   1HB   ALA   1          HB1       ALA   1   3.538   6.638   0.395
    6   2HB   ALA   1          HB2       ALA   1   2.978   5.279  -0.579
    7   3HB   ALA   1          HB3       ALA   1   4.558   5.212   0.203
    8    H    CYS   2           HN       CYS   2   2.422   2.918   2.975
    9    HA   CYS   2           HA       CYS   2   1.999   0.831   1.370
   10   1HB   CYS   2          HB2       CYS   2  -0.125   0.681   3.259
   11   2HB   CYS   2          HB1       CYS   2   1.443  -0.098   3.295
   12    H    LEU   3           HN       LEU   3   0.829   0.486  -0.372
   13    HA   LEU   3           HA       LEU   3  -1.162   2.157  -1.359
   14   1HB   LEU   3          HB2       LEU   3  -0.437  -0.698  -1.931
   15   2HB   LEU   3          HB1       LEU   3  -1.754   0.090  -2.775
   16    HG   LEU   3           HG       LEU   3  -0.306   1.595  -3.868
   17   1HD1  LEU   3          HD11      LEU   3   1.921   0.665  -2.061
   18   2HD1  LEU   3          HD12      LEU   3   1.052   2.191  -1.904
   19   3HD1  LEU   3          HD13      LEU   3   2.037   1.880  -3.333
   20   1HD2  LEU   3          HD21      LEU   3  -0.158  -1.018  -4.335
   21   2HD2  LEU   3          HD22      LEU   3   1.523  -0.736  -3.884
   22   3HD2  LEU   3          HD23      LEU   3   0.809   0.156  -5.228
   23    HA   PRO   4           HA       PRO   4  -4.637   1.075   1.254
   24   1HB   PRO   4          HB2       PRO   4  -6.226   2.176  -0.992
   25   2HB   PRO   4          HB1       PRO   4  -6.214   2.644   0.712
   26   1HG   PRO   4          HG2       PRO   4  -5.096   4.199  -1.145
   27   2HG   PRO   4          HG1       PRO   4  -4.362   4.014   0.459
   28   1HD   PRO   4          HD2       PRO   4  -3.582   2.750  -2.141
   29   2HD   PRO   4          HD1       PRO   4  -2.551   3.405  -0.850
   30    H    TRP   5           HN       TRP   5  -4.933   0.614  -2.256
   31    HA   TRP   5           HA       TRP   5  -6.768  -1.574  -1.980
   32   1HB   TRP   5          HB2       TRP   5  -6.220  -1.814  -4.509
   33   2HB   TRP   5          HB1       TRP   5  -7.103  -0.394  -3.960
   34    HD1  TRP   5           HD1      TRP   5  -3.275  -1.060  -4.074
   35    HE1  TRP   5           HE1      TRP   5  -2.173   0.885  -5.347
   36    HE3  TRP   5           HE3      TRP   5  -7.472   1.582  -5.305
   37    HZ2  TRP   5           HZ2      TRP   5  -2.977   3.231  -6.694
   38    HZ3  TRP   5           HZ3      TRP   5  -7.220   3.667  -6.587
   39    HH2  TRP   5           HH2      TRP   5  -5.018   4.474  -7.265
   40    H    SER   6           HN       SER   6  -3.373  -1.268  -1.860
   41    HA   SER   6           HA       SER   6  -3.098  -4.180  -2.127
   42   1HB   SER   6          HB2       SER   6  -2.069  -2.609  -3.983
   43   2HB   SER   6          HB1       SER   6  -0.801  -2.376  -2.781
   44    HG   SER   6           HG       SER   6  -1.696  -4.922  -3.642
   45    H    ASP   7           HN       ASP   7  -0.184  -3.743  -1.429
   46    HA   ASP   7           HA       ASP   7  -0.498  -3.057   1.403
   47   1HB   ASP   7          HB2       ASP   7   1.149  -5.397   0.431
   48   2HB   ASP   7          HB1       ASP   7   0.728  -4.994   2.093
   49    H    GLY   8           HN       GLY   8   2.393  -4.034   1.681
   50   1HA   GLY   8          HA2       GLY   8   4.393  -3.072   0.377
   51   2HA   GLY   8          HA1       GLY   8   3.595  -1.539   0.692
   52    HA   PRO   9           HA       PRO   9   6.506  -2.820   4.228
   53   1HB   PRO   9          HB2       PRO   9   8.384  -0.885   3.877
   54   2HB   PRO   9          HB1       PRO   9   8.487  -2.477   3.116
   55   1HG   PRO   9          HG2       PRO   9   7.542   0.118   1.960
   56   2HG   PRO   9          HG1       PRO   9   8.583  -1.119   1.231
   57   1HD   PRO   9          HD2       PRO   9   5.953  -0.911   0.644
   58   2HD   PRO   9          HD1       PRO   9   6.800  -2.471   0.671
   59    H    CYS  10           HN       CYS  10   5.393  -2.109   5.947
   60    HA   CYS  10           HA       CYS  10   5.519   0.695   6.639
   61   1HB   CYS  10          HB2       CYS  10   2.939  -0.678   5.955
   62   2HB   CYS  10          HB1       CYS  10   2.965   0.614   7.150
  Start of MODEL   29
    1   1H    ALA   1           HT1      ALA   1   5.141   6.363   0.181
    2   2H    ALA   1           HT2      ALA   1   3.900   5.685  -0.792
    3   3H    ALA   1           HT3      ALA   1   5.215   4.711  -0.272
    4    HA   ALA   1           HA       ALA   1   4.539   4.966   1.989
    5   1HB   ALA   1          HB1       ALA   1   3.284   7.206   1.193
    6   2HB   ALA   1          HB2       ALA   1   2.897   6.349   2.685
    7   3HB   ALA   1          HB3       ALA   1   1.918   6.091   1.242
    8    H    CYS   2           HN       CYS   2   2.024   4.157   2.678
    9    HA   CYS   2           HA       CYS   2   1.860   1.608   1.332
   10   1HB   CYS   2          HB2       CYS   2   1.402   2.588   3.939
   11   2HB   CYS   2          HB1       CYS   2  -0.136   1.988   3.351
   12    H    LEU   3           HN       LEU   3  -0.335   0.700   0.858
   13    HA   LEU   3           HA       LEU   3  -2.323   2.678   0.057
   14   1HB   LEU   3          HB2       LEU   3  -1.487   0.617  -1.951
   15   2HB   LEU   3          HB1       LEU   3  -2.387   2.100  -2.205
   16    HG   LEU   3           HG       LEU   3   0.518   2.086  -1.408
   17   1HD1  LEU   3          HD11      LEU   3  -0.748   1.652  -4.042
   18   2HD1  LEU   3          HD12      LEU   3   0.821   1.127  -3.433
   19   3HD1  LEU   3          HD13      LEU   3   0.601   2.787  -3.986
   20   1HD2  LEU   3          HD21      LEU   3   0.474   4.331  -1.683
   21   2HD2  LEU   3          HD22      LEU   3  -1.230   4.110  -1.285
   22   3HD2  LEU   3          HD23      LEU   3  -0.731   4.262  -2.970
   23    HA   PRO   4           HA       PRO   4  -5.225  -0.308   1.530
   24   1HB   PRO   4          HB2       PRO   4  -6.864   0.446  -0.836
   25   2HB   PRO   4          HB1       PRO   4  -7.296   0.444   0.877
   26   1HG   PRO   4          HG2       PRO   4  -6.817   2.730  -0.395
   27   2HG   PRO   4          HG1       PRO   4  -6.267   2.487   1.274
   28   1HD   PRO   4          HD2       PRO   4  -4.703   2.403  -1.272
   29   2HD   PRO   4          HD1       PRO   4  -4.238   3.041   0.318
   30    H    TRP   5           HN       TRP   5  -5.465  -0.229  -2.014
   31    HA   TRP   5           HA       TRP   5  -5.873  -3.022  -2.251
   32   1HB   TRP   5          HB2       TRP   5  -5.316  -2.504  -4.734
   33   2HB   TRP   5          HB1       TRP   5  -6.762  -1.794  -4.023
   34    HD1  TRP   5           HD1      TRP   5  -3.048  -0.666  -4.321
   35    HE1  TRP   5           HE1      TRP   5  -3.033   1.811  -5.019
   36    HE3  TRP   5           HE3      TRP   5  -8.088   0.145  -4.530
   37    HZ2  TRP   5           HZ2      TRP   5  -4.913   3.842  -5.580
   38    HZ3  TRP   5           HZ3      TRP   5  -8.899   2.383  -5.153
   39    HH2  TRP   5           HH2      TRP   5  -7.343   4.193  -5.666
   40    H    SER   6           HN       SER   6  -3.062  -1.194  -1.746
   41    HA   SER   6           HA       SER   6  -1.415  -3.553  -2.077
   42   1HB   SER   6          HB2       SER   6  -1.176  -1.135  -3.823
   43   2HB   SER   6          HB1       SER   6   0.294  -1.979  -3.337
   44    HG   SER   6           HG       SER   6  -0.160  -3.360  -4.839
   45    H    ASP   7           HN       ASP   7  -1.378  -3.281   0.229
   46    HA   ASP   7           HA       ASP   7  -0.634  -1.074   1.668
   47   1HB   ASP   7          HB2       ASP   7  -0.078  -3.996   2.144
   48   2HB   ASP   7          HB1       ASP   7   0.373  -2.758   3.313
   49    H    GLY   8           HN       GLY   8   1.808  -3.625   1.475
   50   1HA   GLY   8          HA2       GLY   8   3.903  -3.241   0.236
   51   2HA   GLY   8          HA1       GLY   8   3.770  -1.554   0.706
   52    HA   PRO   9           HA       PRO   9   6.553  -3.370   3.838
   53   1HB   PRO   9          HB2       PRO   9   8.218  -1.282   4.056
   54   2HB   PRO   9          HB1       PRO   9   8.315  -2.402   2.691
   55   1HG   PRO   9          HG2       PRO   9   7.066   0.314   2.830
   56   2HG   PRO   9          HG1       PRO   9   8.059  -0.396   1.544
   57   1HD   PRO   9          HD2       PRO   9   5.314  -0.270   1.480
   58   2HD   PRO   9          HD1       PRO   9   6.275  -1.476   0.602
   59    H    CYS  10           HN       CYS  10   4.225  -2.807   4.869
   60    HA   CYS  10           HA       CYS  10   4.784  -0.861   7.006
   61   1HB   CYS  10          HB2       CYS  10   2.035  -1.369   5.864
   62   2HB   CYS  10          HB1       CYS  10   2.500  -0.132   7.027
  Start of MODEL   30
    1   1H    ALA   1           HT1      ALA   1  -0.460   2.375   5.409
    2   2H    ALA   1           HT2      ALA   1  -1.585   1.176   5.899
    3   3H    ALA   1           HT3      ALA   1  -2.128   2.581   5.078
    4    HA   ALA   1           HA       ALA   1  -0.711   0.245   4.067
    5   1HB   ALA   1          HB1       ALA   1  -2.455   1.048   2.169
    6   2HB   ALA   1          HB2       ALA   1  -3.257   1.651   3.620
    7   3HB   ALA   1          HB3       ALA   1  -2.862  -0.062   3.479
    8    H    CYS   2           HN       CYS   2   1.075   0.554   2.917
    9    HA   CYS   2           HA       CYS   2   1.652   3.159   1.810
   10   1HB   CYS   2          HB2       CYS   2   3.162   1.066   2.938
   11   2HB   CYS   2          HB1       CYS   2   3.663   1.193   1.266
   12    H    LEU   3           HN       LEU   3  -0.168   0.821   0.721
   13    HA   LEU   3           HA       LEU   3   0.705   1.212  -2.064
   14   1HB   LEU   3          HB2       LEU   3  -0.495  -1.344  -1.004
   15   2HB   LEU   3          HB1       LEU   3   0.045  -1.045  -2.641
   16    HG   LEU   3           HG       LEU   3   1.659  -1.610  -0.192
   17   1HD1  LEU   3          HD11      LEU   3   2.884  -2.789  -2.287
   18   2HD1  LEU   3          HD12      LEU   3   1.220  -2.747  -2.868
   19   3HD1  LEU   3          HD13      LEU   3   1.601  -3.543  -1.342
   20   1HD2  LEU   3          HD21      LEU   3   3.556  -0.943  -2.046
   21   2HD2  LEU   3          HD22      LEU   3   3.080   0.052  -0.672
   22   3HD2  LEU   3          HD23      LEU   3   2.362   0.336  -2.257
   23    HA   PRO   4           HA       PRO   4  -3.357   2.683  -2.931
   24   1HB   PRO   4          HB2       PRO   4  -3.249   1.042  -5.404
   25   2HB   PRO   4          HB1       PRO   4  -3.517   2.778  -5.217
   26   1HG   PRO   4          HG2       PRO   4  -1.191   1.843  -6.127
   27   2HG   PRO   4          HG1       PRO   4  -1.254   3.244  -5.040
   28   1HD   PRO   4          HD2       PRO   4  -0.524   0.407  -4.440
   29   2HD   PRO   4          HD1       PRO   4   0.179   1.912  -3.811
   30    H    TRP   5           HN       TRP   5  -2.632  -0.734  -3.219
   31    HA   TRP   5           HA       TRP   5  -5.467  -1.409  -2.892
   32   1HB   TRP   5          HB2       TRP   5  -3.750  -3.723  -3.092
   33   2HB   TRP   5          HB1       TRP   5  -5.057  -3.215  -4.154
   34    HD1  TRP   5           HD1      TRP   5  -1.360  -3.598  -4.044
   35    HE1  TRP   5           HE1      TRP   5  -0.304  -2.659  -6.195
   36    HE3  TRP   5           HE3      TRP   5  -5.419  -1.129  -5.929
   37    HZ2  TRP   5           HZ2      TRP   5  -1.088  -1.080  -8.398
   38    HZ3  TRP   5           HZ3      TRP   5  -5.183   0.072  -8.064
   39    HH2  TRP   5           HH2      TRP   5  -3.061   0.096  -9.271
   40    H    SER   6           HN       SER   6  -3.732  -0.300  -0.772
   41    HA   SER   6           HA       SER   6  -3.412  -0.551   1.456
   42   1HB   SER   6          HB2       SER   6  -5.593  -1.136   1.900
   43   2HB   SER   6          HB1       SER   6  -5.526  -2.579   0.891
   44    HG   SER   6           HG       SER   6  -4.440  -3.645   2.492
   45    H    ASP   7           HN       ASP   7  -1.367  -1.028   1.814
   46    HA   ASP   7           HA       ASP   7  -0.525  -3.527   2.689
   47   1HB   ASP   7          HB2       ASP   7  -0.269  -3.104  -0.208
   48   2HB   ASP   7          HB1       ASP   7   1.237  -3.567   0.580
   49    H    GLY   8           HN       GLY   8   1.284  -3.232   3.892
   50   1HA   GLY   8          HA2       GLY   8   2.595  -0.612   3.610
   51   2HA   GLY   8          HA1       GLY   8   2.489  -1.527   5.100
   52    HA   PRO   9           HA       PRO   9   6.045  -3.634   2.786
   53   1HB   PRO   9          HB2       PRO   9   6.490  -3.294   0.193
   54   2HB   PRO   9          HB1       PRO   9   5.132  -4.292   0.734
   55   1HG   PRO   9          HG2       PRO   9   5.129  -1.457  -0.236
   56   2HG   PRO   9          HG1       PRO   9   4.007  -2.773  -0.629
   57   1HD   PRO   9          HD2       PRO   9   3.534  -0.815   1.271
   58   2HD   PRO   9          HD1       PRO   9   2.753  -2.407   1.235
   59    H    CYS  10           HN       CYS  10   5.790  -0.683   3.516
   60    HA   CYS  10           HA       CYS  10   8.083   0.498   2.183
   61   1HB   CYS  10          HB2       CYS  10   5.996   1.495   4.090
   62   2HB   CYS  10          HB1       CYS  10   7.495   2.396   3.894
  Start of MODEL   31
    1   1H    ALA   1           HT1      ALA   1   2.318  -1.741   4.228
    2   2H    ALA   1           HT2      ALA   1   1.699  -3.315   4.521
    3   3H    ALA   1           HT3      ALA   1   1.054  -1.966   5.363
    4    HA   ALA   1           HA       ALA   1   0.905  -2.447   2.466
    5   1HB   ALA   1          HB1       ALA   1  -1.542  -2.317   4.088
    6   2HB   ALA   1          HB2       ALA   1  -0.520  -3.723   4.383
    7   3HB   ALA   1          HB3       ALA   1  -1.115  -3.391   2.757
    8    H    CYS   2           HN       CYS   2   1.961  -0.179   2.670
    9    HA   CYS   2           HA       CYS   2   0.030   1.893   3.308
   10   1HB   CYS   2          HB2       CYS   2   2.829   1.629   3.459
   11   2HB   CYS   2          HB1       CYS   2   2.509   2.882   2.278
   12    H    LEU   3           HN       LEU   3   0.163   0.034   0.848
   13    HA   LEU   3           HA       LEU   3   0.472   1.873  -1.350
   14   1HB   LEU   3          HB2       LEU   3  -0.059  -1.012  -1.015
   15   2HB   LEU   3          HB1       LEU   3  -0.772  -0.282  -2.439
   16    HG   LEU   3           HG       LEU   3   1.652  -1.370  -2.465
   17   1HD1  LEU   3          HD11      LEU   3   2.075  -0.213  -4.468
   18   2HD1  LEU   3          HD12      LEU   3   1.168   1.202  -3.935
   19   3HD1  LEU   3          HD13      LEU   3   0.319  -0.294  -4.322
   20   1HD2  LEU   3          HD21      LEU   3   3.402  -0.069  -1.858
   21   2HD2  LEU   3          HD22      LEU   3   2.224   0.569  -0.711
   22   3HD2  LEU   3          HD23      LEU   3   2.552   1.435  -2.212
   23    HA   PRO   4           HA       PRO   4  -3.564   3.474  -2.045
   24   1HB   PRO   4          HB2       PRO   4  -3.819   1.817  -4.511
   25   2HB   PRO   4          HB1       PRO   4  -4.041   3.557  -4.297
   26   1HG   PRO   4          HG2       PRO   4  -1.841   2.618  -5.450
   27   2HG   PRO   4          HG1       PRO   4  -1.756   3.984  -4.320
   28   1HD   PRO   4          HD2       PRO   4  -1.020   1.122  -3.896
   29   2HD   PRO   4          HD1       PRO   4  -0.242   2.591  -3.272
   30    H    TRP   5           HN       TRP   5  -3.186   0.006  -2.343
   31    HA   TRP   5           HA       TRP   5  -5.830  -0.339  -1.126
   32   1HB   TRP   5          HB2       TRP   5  -5.964  -2.466  -2.660
   33   2HB   TRP   5          HB1       TRP   5  -6.457  -0.895  -3.283
   34    HD1  TRP   5           HD1      TRP   5  -3.341  -3.202  -3.351
   35    HE1  TRP   5           HE1      TRP   5  -2.130  -2.833  -5.591
   36    HE3  TRP   5           HE3      TRP   5  -6.252   0.552  -5.238
   37    HZ2  TRP   5           HZ2      TRP   5  -2.375  -1.169  -7.858
   38    HZ3  TRP   5           HZ3      TRP   5  -5.696   1.478  -7.448
   39    HH2  TRP   5           HH2      TRP   5  -3.797   0.635  -8.730
   40    H    SER   6           HN       SER   6  -3.636  -0.395   0.390
   41    HA   SER   6           HA       SER   6  -2.464  -1.635   1.895
   42   1HB   SER   6          HB2       SER   6  -4.700  -2.556   2.393
   43   2HB   SER   6          HB1       SER   6  -4.459  -3.792   1.158
   44    HG   SER   6           HG       SER   6  -3.638  -3.777   3.713
   45    H    ASP   7           HN       ASP   7  -0.466  -1.880   1.048
   46    HA   ASP   7           HA       ASP   7   0.452  -4.392   0.273
   47   1HB   ASP   7          HB2       ASP   7  -0.548  -2.719  -1.924
   48   2HB   ASP   7          HB1       ASP   7   1.099  -3.298  -2.164
   49    H    GLY   8           HN       GLY   8   2.600  -4.462   0.556
   50   1HA   GLY   8          HA2       GLY   8   4.764  -3.771   0.903
   51   2HA   GLY   8          HA1       GLY   8   4.388  -2.358  -0.071
   52    HA   PRO   9           HA       PRO   9   4.788  -1.317   4.559
   53   1HB   PRO   9          HB2       PRO   9   7.271  -0.251   4.594
   54   2HB   PRO   9          HB1       PRO   9   6.977  -1.975   4.851
   55   1HG   PRO   9          HG2       PRO   9   7.857  -0.553   2.367
   56   2HG   PRO   9          HG1       PRO   9   8.458  -2.071   3.058
   57   1HD   PRO   9          HD2       PRO   9   6.696  -1.987   0.993
   58   2HD   PRO   9          HD1       PRO   9   6.720  -3.302   2.185
   59    H    CYS  10           HN       CYS  10   5.827   1.007   5.295
   60    HA   CYS  10           HA       CYS  10   4.499   2.937   3.534
   61   1HB   CYS  10          HB2       CYS  10   5.269   3.067   6.452
   62   2HB   CYS  10          HB1       CYS  10   4.617   4.436   5.559
  Start of MODEL   32
    1   1H    ALA   1           HT1      ALA   1   4.251   6.392   3.483
    2   2H    ALA   1           HT2      ALA   1   3.308   7.809   3.708
    3   3H    ALA   1           HT3      ALA   1   3.686   7.269   2.123
    4    HA   ALA   1           HA       ALA   1   2.133   5.698   4.057
    5   1HB   ALA   1          HB1       ALA   1   0.132   6.452   2.933
    6   2HB   ALA   1          HB2       ALA   1   1.086   7.463   1.848
    7   3HB   ALA   1          HB3       ALA   1   1.013   7.841   3.569
    8    H    CYS   2           HN       CYS   2   1.683   3.698   3.339
    9    HA   CYS   2           HA       CYS   2   2.817   2.862   0.819
   10   1HB   CYS   2          HB2       CYS   2   2.371   1.705   3.356
   11   2HB   CYS   2          HB1       CYS   2   1.418   0.786   2.208
   12    H    LEU   3           HN       LEU   3   1.115   0.713   0.221
   13    HA   LEU   3           HA       LEU   3  -1.304   2.139  -0.677
   14   1HB   LEU   3          HB2       LEU   3  -0.863  -0.169  -2.272
   15   2HB   LEU   3          HB1       LEU   3  -0.840   1.513  -2.758
   16    HG   LEU   3           HG       LEU   3   1.550   0.005  -1.695
   17   1HD1  LEU   3          HD11      LEU   3   0.494   0.441  -4.443
   18   2HD1  LEU   3          HD12      LEU   3   1.290  -0.971  -3.748
   19   3HD1  LEU   3          HD13      LEU   3   2.239   0.448  -4.189
   20   1HD2  LEU   3          HD21      LEU   3   2.193   2.130  -1.288
   21   2HD2  LEU   3          HD22      LEU   3   1.040   2.816  -2.433
   22   3HD2  LEU   3          HD23      LEU   3   2.550   2.113  -3.015
   23    HA   PRO   4           HA       PRO   4  -3.225  -0.849   2.153
   24   1HB   PRO   4          HB2       PRO   4  -5.630   0.348   0.866
   25   2HB   PRO   4          HB1       PRO   4  -5.280   0.091   2.580
   26   1HG   PRO   4          HG2       PRO   4  -5.127   2.526   1.520
   27   2HG   PRO   4          HG1       PRO   4  -3.946   1.985   2.727
   28   1HD   PRO   4          HD2       PRO   4  -3.649   2.248  -0.234
   29   2HD   PRO   4          HD1       PRO   4  -2.470   2.574   1.052
   30    H    TRP   5           HN       TRP   5  -4.940  -0.238  -0.909
   31    HA   TRP   5           HA       TRP   5  -5.895  -2.833  -1.262
   32   1HB   TRP   5          HB2       TRP   5  -5.928  -2.091  -3.774
   33   2HB   TRP   5          HB1       TRP   5  -6.968  -1.282  -2.607
   34    HD1  TRP   5           HD1      TRP   5  -3.313  -0.682  -3.813
   35    HE1  TRP   5           HE1      TRP   5  -3.042   1.836  -4.270
   36    HE3  TRP   5           HE3      TRP   5  -8.029   0.872  -2.604
   37    HZ2  TRP   5           HZ2      TRP   5  -4.620   4.173  -4.133
   38    HZ3  TRP   5           HZ3      TRP   5  -8.567   3.266  -2.792
   39    HH2  TRP   5           HH2      TRP   5  -6.896   4.881  -3.540
   40    H    SER   6           HN       SER   6  -2.761  -1.497  -1.900
   41    HA   SER   6           HA       SER   6  -1.926  -4.078  -3.045
   42   1HB   SER   6          HB2       SER   6  -0.707  -1.397  -3.730
   43   2HB   SER   6          HB1       SER   6  -0.349  -2.953  -4.476
   44    HG   SER   6           HG       SER   6  -2.508  -2.983  -5.246
   45    H    ASP   7           HN       ASP   7   0.862  -2.757  -2.988
   46    HA   ASP   7           HA       ASP   7   1.947  -4.020  -0.838
   47   1HB   ASP   7          HB2       ASP   7   2.963  -1.387  -1.913
   48   2HB   ASP   7          HB1       ASP   7   3.904  -2.643  -1.113
   49    H    GLY   8           HN       GLY   8   0.545  -3.769   0.934
   50   1HA   GLY   8          HA2       GLY   8   0.067  -1.207   2.129
   51   2HA   GLY   8          HA1       GLY   8  -0.316  -2.771   2.831
   52    HA   PRO   9           HA       PRO   9   3.107  -2.718   5.598
   53   1HB   PRO   9          HB2       PRO   9   4.784  -4.774   4.833
   54   2HB   PRO   9          HB1       PRO   9   3.317  -4.979   5.796
   55   1HG   PRO   9          HG2       PRO   9   3.732  -5.377   2.863
   56   2HG   PRO   9          HG1       PRO   9   2.788  -6.351   4.005
   57   1HD   PRO   9          HD2       PRO   9   1.610  -4.630   2.322
   58   2HD   PRO   9          HD1       PRO   9   0.996  -4.880   3.970
   59    H    CYS  10           HN       CYS  10   4.341  -0.945   5.404
   60    HA   CYS  10           HA       CYS  10   6.245  -0.758   3.184
   61   1HB   CYS  10          HB2       CYS  10   4.718   1.171   4.760
   62   2HB   CYS  10          HB1       CYS  10   6.413   1.616   4.600
  Start of MODEL   33
    1   1H    ALA   1           HT1      ALA   1  -0.827   4.508   4.218
    2   2H    ALA   1           HT2      ALA   1   0.550   4.658   5.231
    3   3H    ALA   1           HT3      ALA   1  -0.765   3.664   5.709
    4    HA   ALA   1           HA       ALA   1   1.234   2.518   4.836
    5   1HB   ALA   1          HB1       ALA   1  -1.591   2.136   4.114
    6   2HB   ALA   1          HB2       ALA   1  -0.455   1.032   4.889
    7   3HB   ALA   1          HB3       ALA   1  -0.433   1.233   3.138
    8    H    CYS   2           HN       CYS   2   1.410   1.366   2.434
    9    HA   CYS   2           HA       CYS   2   2.456   3.459   0.786
   10   1HB   CYS   2          HB2       CYS   2   3.084   0.775   1.300
   11   2HB   CYS   2          HB1       CYS   2   2.678   0.889  -0.400
   12    H    LEU   3           HN       LEU   3   0.855   0.621  -0.255
   13    HA   LEU   3           HA       LEU   3  -0.614   2.151  -2.258
   14   1HB   LEU   3          HB2       LEU   3   0.018  -0.763  -1.940
   15   2HB   LEU   3          HB1       LEU   3  -1.217  -0.228  -3.060
   16    HG   LEU   3           HG       LEU   3   1.058  -0.657  -4.055
   17   1HD1  LEU   3          HD11      LEU   3   0.739   0.928  -5.674
   18   2HD1  LEU   3          HD12      LEU   3   0.360   2.200  -4.512
   19   3HD1  LEU   3          HD13      LEU   3  -0.836   0.958  -4.881
   20   1HD2  LEU   3          HD21      LEU   3   2.432   0.267  -2.286
   21   2HD2  LEU   3          HD22      LEU   3   1.734   1.866  -2.547
   22   3HD2  LEU   3          HD23      LEU   3   2.733   1.125  -3.797
   23    HA   PRO   4           HA       PRO   4  -4.435   2.028  -0.016
   24   1HB   PRO   4          HB2       PRO   4  -5.733   1.791  -2.669
   25   2HB   PRO   4          HB1       PRO   4  -5.948   3.019  -1.418
   26   1HG   PRO   4          HG2       PRO   4  -4.617   3.566  -3.663
   27   2HG   PRO   4          HG1       PRO   4  -4.095   4.230  -2.103
   28   1HD   PRO   4          HD2       PRO   4  -2.970   1.934  -3.660
   29   2HD   PRO   4          HD1       PRO   4  -2.125   3.202  -2.747
   30    H    TRP   5           HN       TRP   5  -4.403  -0.065  -2.897
   31    HA   TRP   5           HA       TRP   5  -5.945  -2.068  -1.417
   32   1HB   TRP   5          HB2       TRP   5  -5.937  -3.142  -3.826
   33   2HB   TRP   5          HB1       TRP   5  -7.025  -1.814  -3.437
   34    HD1  TRP   5           HD1      TRP   5  -3.517  -2.271  -5.039
   35    HE1  TRP   5           HE1      TRP   5  -3.259  -0.506  -6.894
   36    HE3  TRP   5           HE3      TRP   5  -7.944   0.204  -4.423
   37    HZ2  TRP   5           HZ2      TRP   5  -4.737   1.653  -7.953
   38    HZ3  TRP   5           HZ3      TRP   5  -8.447   2.110  -5.896
   39    HH2  TRP   5           HH2      TRP   5  -6.874   2.819  -7.624
   40    H    SER   6           HN       SER   6  -3.074  -1.582  -0.966
   41    HA   SER   6           HA       SER   6  -2.191  -4.184  -0.625
   42   1HB   SER   6          HB2       SER   6  -2.011  -4.479  -2.993
   43   2HB   SER   6          HB1       SER   6  -1.203  -2.924  -3.189
   44    HG   SER   6           HG       SER   6  -0.157  -5.163  -1.789
   45    H    ASP   7           HN       ASP   7  -2.141  -2.065   0.987
   46    HA   ASP   7           HA       ASP   7  -0.285  -0.214   1.245
   47   1HB   ASP   7          HB2       ASP   7   0.076  -1.135   3.699
   48   2HB   ASP   7          HB1       ASP   7  -1.468  -0.457   3.195
   49    H    GLY   8           HN       GLY   8   0.641  -3.419   2.523
   50   1HA   GLY   8          HA2       GLY   8   2.614  -4.596   2.254
   51   2HA   GLY   8          HA1       GLY   8   3.123  -3.404   1.069
   52    HA   PRO   9           HA       PRO   9   5.076  -2.750   5.421
   53   1HB   PRO   9          HB2       PRO   9   7.311  -4.270   5.275
   54   2HB   PRO   9          HB1       PRO   9   5.782  -4.885   5.915
   55   1HG   PRO   9          HG2       PRO   9   6.975  -5.244   3.191
   56   2HG   PRO   9          HG1       PRO   9   6.183  -6.442   4.232
   57   1HD   PRO   9          HD2       PRO   9   4.912  -5.238   2.165
   58   2HD   PRO   9          HD1       PRO   9   4.069  -5.744   3.642
   59    H    CYS  10           HN       CYS  10   5.271  -0.734   4.155
   60    HA   CYS  10           HA       CYS  10   7.739  -0.422   2.639
   61   1HB   CYS  10          HB2       CYS  10   5.263   1.207   3.014
   62   2HB   CYS  10          HB1       CYS  10   6.743   2.026   2.528
  Start of MODEL   34
    1   1H    ALA   1           HT1      ALA   1   3.174   7.986   1.208
    2   2H    ALA   1           HT2      ALA   1   2.349   7.018   0.056
    3   3H    ALA   1           HT3      ALA   1   4.018   6.758   0.361
    4    HA   ALA   1           HA       ALA   1   3.627   5.929   2.462
    5   1HB   ALA   1          HB1       ALA   1   1.038   5.800   3.078
    6   2HB   ALA   1          HB2       ALA   1   1.015   7.278   2.116
    7   3HB   ALA   1          HB3       ALA   1   2.057   7.165   3.535
    8    H    CYS   2           HN       CYS   2   3.841   3.819   2.221
    9    HA   CYS   2           HA       CYS   2   3.339   2.232   0.162
   10   1HB   CYS   2          HB2       CYS   2   2.657   0.613   2.400
   11   2HB   CYS   2          HB1       CYS   2   4.183   0.732   1.547
   12    H    LEU   3           HN       LEU   3   1.738   0.888  -0.643
   13    HA   LEU   3           HA       LEU   3  -0.883   1.831  -0.609
   14   1HB   LEU   3          HB2       LEU   3   0.559  -0.410  -1.753
   15   2HB   LEU   3          HB1       LEU   3  -1.079  -0.847  -1.331
   16    HG   LEU   3           HG       LEU   3  -0.565   0.020  -3.713
   17   1HD1  LEU   3          HD11      LEU   3  -2.773   0.456  -3.944
   18   2HD1  LEU   3          HD12      LEU   3  -2.829   1.511  -2.531
   19   3HD1  LEU   3          HD13      LEU   3  -2.807  -0.241  -2.324
   20   1HD2  LEU   3          HD21      LEU   3  -1.143   2.723  -2.671
   21   2HD2  LEU   3          HD22      LEU   3  -0.207   2.222  -4.080
   22   3HD2  LEU   3          HD23      LEU   3   0.508   2.136  -2.469
   23    HA   PRO   4           HA       PRO   4  -2.001   0.311   3.504
   24   1HB   PRO   4          HB2       PRO   4  -4.642   1.300   2.564
   25   2HB   PRO   4          HB1       PRO   4  -3.781   1.644   4.068
   26   1HG   PRO   4          HG2       PRO   4  -3.912   3.470   2.140
   27   2HG   PRO   4          HG1       PRO   4  -2.422   3.246   3.076
   28   1HD   PRO   4          HD2       PRO   4  -3.081   2.321   0.308
   29   2HD   PRO   4          HD1       PRO   4  -1.557   2.973   0.946
   30    H    TRP   5           HN       TRP   5  -3.319  -0.543   0.409
   31    HA   TRP   5           HA       TRP   5  -4.215  -3.089   1.533
   32   1HB   TRP   5          HB2       TRP   5  -6.144  -2.513  -0.412
   33   2HB   TRP   5          HB1       TRP   5  -6.378  -2.552   1.331
   34    HD1  TRP   5           HD1      TRP   5  -7.007  -0.318   2.483
   35    HE1  TRP   5           HE1      TRP   5  -7.252   2.120   1.695
   36    HE3  TRP   5           HE3      TRP   5  -5.040  -0.774  -2.209
   37    HZ2  TRP   5           HZ2      TRP   5  -6.691   3.647  -0.609
   38    HZ3  TRP   5           HZ3      TRP   5  -4.930   1.221  -3.645
   39    HH2  TRP   5           HH2      TRP   5  -5.739   3.386  -2.859
   40    H    SER   6           HN       SER   6  -1.954  -2.175  -0.186
   41    HA   SER   6           HA       SER   6  -2.057  -4.316  -2.060
   42   1HB   SER   6          HB2       SER   6  -1.735  -1.656  -3.398
   43   2HB   SER   6          HB1       SER   6  -2.182  -3.208  -4.099
   44    HG   SER   6           HG       SER   6  -3.875  -1.486  -3.724
   45    H    ASP   7           HN       ASP   7  -0.131  -2.634  -3.772
   46    HA   ASP   7           HA       ASP   7   2.242  -3.653  -2.873
   47   1HB   ASP   7          HB2       ASP   7   1.441  -1.619  -4.820
   48   2HB   ASP   7          HB1       ASP   7   3.076  -1.407  -4.201
   49    H    GLY   8           HN       GLY   8   2.200  -3.279  -0.561
   50   1HA   GLY   8          HA2       GLY   8   4.040  -1.605   0.447
   51   2HA   GLY   8          HA1       GLY   8   2.625  -0.566   0.375
   52    HA   PRO   9           HA       PRO   9   1.934  -4.100   3.664
   53   1HB   PRO   9          HB2       PRO   9   4.210  -4.766   4.985
   54   2HB   PRO   9          HB1       PRO   9   3.634  -5.642   3.562
   55   1HG   PRO   9          HG2       PRO   9   5.738  -3.521   3.757
   56   2HG   PRO   9          HG1       PRO   9   5.762  -5.038   2.838
   57   1HD   PRO   9          HD2       PRO   9   5.218  -2.652   1.685
   58   2HD   PRO   9          HD1       PRO   9   4.483  -4.168   1.127
   59    H    CYS  10           HN       CYS  10   1.151  -1.882   4.257
   60    HA   CYS  10           HA       CYS  10   2.318  -1.126   6.820
   61   1HB   CYS  10          HB2       CYS  10   1.746   0.900   4.648
   62   2HB   CYS  10          HB1       CYS  10   2.283   1.262   6.284
  Start of MODEL   35
    1   1H    ALA   1           HT1      ALA   1   2.813   4.658   5.132
    2   2H    ALA   1           HT2      ALA   1   3.240   3.190   4.353
    3   3H    ALA   1           HT3      ALA   1   1.642   3.424   4.934
    4    HA   ALA   1           HA       ALA   1   1.123   4.929   3.327
    5   1HB   ALA   1          HB1       ALA   1   2.562   6.336   2.298
    6   2HB   ALA   1          HB2       ALA   1   3.814   5.105   2.123
    7   3HB   ALA   1          HB3       ALA   1   3.588   5.921   3.671
    8    H    CYS   2           HN       CYS   2   1.434   2.033   3.505
    9    HA   CYS   2           HA       CYS   2   2.484   0.785   1.314
   10   1HB   CYS   2          HB2       CYS   2  -0.008  -0.479   1.846
   11   2HB   CYS   2          HB1       CYS   2   1.600  -0.956   2.343
   12    H    LEU   3           HN       LEU   3   0.785  -0.462  -0.257
   13    HA   LEU   3           HA       LEU   3   0.104   1.392  -2.228
   14   1HB   LEU   3          HB2       LEU   3  -0.235  -1.481  -1.790
   15   2HB   LEU   3          HB1       LEU   3  -1.500  -0.777  -2.779
   16    HG   LEU   3           HG       LEU   3   0.439   0.246  -4.153
   17   1HD1  LEU   3          HD11      LEU   3   1.977  -2.104  -3.137
   18   2HD1  LEU   3          HD12      LEU   3   2.076  -0.555  -2.301
   19   3HD1  LEU   3          HD13      LEU   3   2.549  -0.674  -3.996
   20   1HD2  LEU   3          HD21      LEU   3  -0.181  -2.704  -4.164
   21   2HD2  LEU   3          HD22      LEU   3   0.634  -1.845  -5.471
   22   3HD2  LEU   3          HD23      LEU   3  -1.029  -1.435  -5.048
   23    HA   PRO   4           HA       PRO   4  -3.974   2.910  -1.536
   24   1HB   PRO   4          HB2       PRO   4  -5.098   1.354  -3.799
   25   2HB   PRO   4          HB1       PRO   4  -5.089   3.100  -3.529
   26   1HG   PRO   4          HG2       PRO   4  -3.495   2.003  -5.356
   27   2HG   PRO   4          HG1       PRO   4  -2.929   3.347  -4.345
   28   1HD   PRO   4          HD2       PRO   4  -2.355   0.417  -4.101
   29   2HD   PRO   4          HD1       PRO   4  -1.259   1.800  -3.895
   30    H    TRP   5           HN       TRP   5  -3.788  -0.532  -2.168
   31    HA   TRP   5           HA       TRP   5  -6.113  -0.969  -0.414
   32   1HB   TRP   5          HB2       TRP   5  -5.956  -3.334  -1.569
   33   2HB   TRP   5          HB1       TRP   5  -6.748  -1.990  -2.385
   34    HD1  TRP   5           HD1      TRP   5  -3.074  -3.270  -2.239
   35    HE1  TRP   5           HE1      TRP   5  -2.145  -3.270  -4.640
   36    HE3  TRP   5           HE3      TRP   5  -7.189  -1.504  -4.696
   37    HZ2  TRP   5           HZ2      TRP   5  -3.041  -2.605  -7.233
   38    HZ3  TRP   5           HZ3      TRP   5  -7.073  -1.212  -7.136
   39    HH2  TRP   5           HH2      TRP   5  -5.040  -1.750  -8.377
   40    H    SER   6           HN       SER   6  -3.291  -0.523   0.366
   41    HA   SER   6           HA       SER   6  -1.807  -1.310   1.895
   42   1HB   SER   6          HB2       SER   6  -4.080  -1.885   3.017
   43   2HB   SER   6          HB1       SER   6  -3.693  -3.547   2.574
   44    HG   SER   6           HG       SER   6  -2.593  -1.934   4.512
   45    H    ASP   7           HN       ASP   7  -0.203  -1.989   0.532
   46    HA   ASP   7           HA       ASP   7   0.289  -4.809   0.438
   47   1HB   ASP   7          HB2       ASP   7  -1.251  -4.389  -1.534
   48   2HB   ASP   7          HB1       ASP   7   0.039  -3.413  -2.228
   49    H    GLY   8           HN       GLY   8   2.378  -4.970   0.889
   50   1HA   GLY   8          HA2       GLY   8   4.670  -4.684   0.269
   51   2HA   GLY   8          HA1       GLY   8   4.252  -3.119  -0.414
   52    HA   PRO   9           HA       PRO   9   6.232  -2.087   3.576
   53   1HB   PRO   9          HB2       PRO   9   7.070   0.377   2.811
   54   2HB   PRO   9          HB1       PRO   9   7.960  -1.100   2.423
   55   1HG   PRO   9          HG2       PRO   9   6.080   0.482   0.713
   56   2HG   PRO   9          HG1       PRO   9   7.643  -0.239   0.285
   57   1HD   PRO   9          HD2       PRO   9   5.281  -1.398  -0.352
   58   2HD   PRO   9          HD1       PRO   9   6.740  -2.342   0.012
   59    H    CYS  10           HN       CYS  10   4.999  -1.397   5.198
   60    HA   CYS  10           HA       CYS  10   2.973   0.668   4.656
   61   1HB   CYS  10          HB2       CYS  10   3.064  -1.639   6.575
   62   2HB   CYS  10          HB1       CYS  10   2.030  -0.254   6.906
  Start of MODEL   36
    1   1H    ALA   1           HT1      ALA   1   2.804   6.428   3.141
    2   2H    ALA   1           HT2      ALA   1   1.343   7.310   3.322
    3   3H    ALA   1           HT3      ALA   1   1.768   6.654   1.794
    4    HA   ALA   1           HA       ALA   1   1.340   5.013   4.187
    5   1HB   ALA   1          HB1       ALA   1  -0.611   6.268   2.360
    6   2HB   ALA   1          HB2       ALA   1  -0.789   5.759   4.039
    7   3HB   ALA   1          HB3       ALA   1  -0.872   4.567   2.742
    8    H    CYS   2           HN       CYS   2   0.175   2.913   3.070
    9    HA   CYS   2           HA       CYS   2   2.252   1.834   1.377
   10   1HB   CYS   2          HB2       CYS   2   0.520   0.855   3.384
   11   2HB   CYS   2          HB1       CYS   2   0.112   0.004   1.907
   12    H    LEU   3           HN       LEU   3   0.782  -0.124   0.023
   13    HA   LEU   3           HA       LEU   3   0.130   1.121  -2.359
   14   1HB   LEU   3          HB2       LEU   3  -0.322  -1.556  -1.184
   15   2HB   LEU   3          HB1       LEU   3  -1.339  -1.136  -2.546
   16    HG   LEU   3           HG       LEU   3   1.001  -2.373  -2.832
   17   1HD1  LEU   3          HD11      LEU   3   0.938  -1.791  -5.108
   18   2HD1  LEU   3          HD12      LEU   3   0.192  -0.229  -4.769
   19   3HD1  LEU   3          HD13      LEU   3  -0.731  -1.715  -4.545
   20   1HD2  LEU   3          HD21      LEU   3   2.840  -1.023  -3.172
   21   2HD2  LEU   3          HD22      LEU   3   2.080  -0.251  -1.780
   22   3HD2  LEU   3          HD23      LEU   3   1.866   0.431  -3.393
   23    HA   PRO   4           HA       PRO   4  -3.953   2.758  -2.283
   24   1HB   PRO   4          HB2       PRO   4  -4.829   0.735  -4.283
   25   2HB   PRO   4          HB1       PRO   4  -4.932   2.498  -4.346
   26   1HG   PRO   4          HG2       PRO   4  -3.119   1.198  -5.795
   27   2HG   PRO   4          HG1       PRO   4  -2.718   2.735  -5.005
   28   1HD   PRO   4          HD2       PRO   4  -1.993  -0.054  -4.209
   29   2HD   PRO   4          HD1       PRO   4  -1.028   1.434  -4.114
   30    H    TRP   5           HN       TRP   5  -3.968  -0.788  -2.508
   31    HA   TRP   5           HA       TRP   5  -6.215  -0.829  -0.603
   32   1HB   TRP   5          HB2       TRP   5  -6.108  -3.368  -1.706
   33   2HB   TRP   5          HB1       TRP   5  -7.228  -2.091  -2.163
   34    HD1  TRP   5           HD1      TRP   5  -7.150  -1.334  -4.620
   35    HE1  TRP   5           HE1      TRP   5  -5.576  -1.749  -6.613
   36    HE3  TRP   5           HE3      TRP   5  -3.398  -3.808  -2.189
   37    HZ2  TRP   5           HZ2      TRP   5  -3.074  -2.964  -7.091
   38    HZ3  TRP   5           HZ3      TRP   5  -1.448  -4.565  -3.487
   39    HH2  TRP   5           HH2      TRP   5  -1.291  -4.149  -5.888
   40    H    SER   6           HN       SER   6  -3.687  -0.482   0.397
   41    HA   SER   6           HA       SER   6  -2.207  -1.289   1.920
   42   1HB   SER   6          HB2       SER   6  -3.045  -2.744   3.570
   43   2HB   SER   6          HB1       SER   6  -4.480  -1.928   2.951
   44    HG   SER   6           HG       SER   6  -3.909  -4.547   2.968
   45    H    ASP   7           HN       ASP   7  -0.418  -1.969   0.908
   46    HA   ASP   7           HA       ASP   7   0.208  -4.689   0.737
   47   1HB   ASP   7          HB2       ASP   7  -1.322  -4.690  -1.185
   48   2HB   ASP   7          HB1       ASP   7  -0.382  -3.408  -1.938
   49    H    GLY   8           HN       GLY   8   2.328  -4.744   1.057
   50   1HA   GLY   8          HA2       GLY   8   4.512  -4.163  -0.022
   51   2HA   GLY   8          HA1       GLY   8   3.945  -2.500   0.013
   52    HA   PRO   9           HA       PRO   9   6.311  -3.625   3.961
   53   1HB   PRO   9          HB2       PRO   9   8.538  -2.143   3.549
   54   2HB   PRO   9          HB1       PRO   9   8.389  -3.813   2.988
   55   1HG   PRO   9          HG2       PRO   9   8.042  -1.263   1.459
   56   2HG   PRO   9          HG1       PRO   9   8.879  -2.751   0.979
   57   1HD   PRO   9          HD2       PRO   9   6.369  -2.134   0.144
   58   2HD   PRO   9          HD1       PRO   9   6.924  -3.804   0.376
   59    H    CYS  10           HN       CYS  10   5.213  -2.468   5.429
   60    HA   CYS  10           HA       CYS  10   5.760   0.377   5.648
   61   1HB   CYS  10          HB2       CYS  10   2.951  -0.712   5.385
   62   2HB   CYS  10          HB1       CYS  10   3.339   0.922   5.914
  Start of MODEL   37
    1   1H    ALA   1           HT1      ALA   1  -0.573   1.738   5.704
    2   2H    ALA   1           HT2      ALA   1   1.125   1.990   5.742
    3   3H    ALA   1           HT3      ALA   1   0.450   0.568   6.427
    4    HA   ALA   1           HA       ALA   1   1.307  -0.116   4.442
    5   1HB   ALA   1          HB1       ALA   1  -1.614   0.283   4.554
    6   2HB   ALA   1          HB2       ALA   1  -0.673  -1.200   4.388
    7   3HB   ALA   1          HB3       ALA   1  -0.947  -0.168   2.984
    8    H    CYS   2           HN       CYS   2   2.236   0.384   2.535
    9    HA   CYS   2           HA       CYS   2   1.907   3.102   1.555
   10   1HB   CYS   2          HB2       CYS   2   4.064   1.319   1.888
   11   2HB   CYS   2          HB1       CYS   2   3.897   1.589   0.167
   12    H    LEU   3           HN       LEU   3   0.137   0.644   1.056
   13    HA   LEU   3           HA       LEU   3   0.041   0.923  -1.874
   14   1HB   LEU   3          HB2       LEU   3   0.050  -1.473  -0.182
   15   2HB   LEU   3          HB1       LEU   3  -1.218  -1.461  -1.392
   16    HG   LEU   3           HG       LEU   3   1.457  -0.740  -2.396
   17   1HD1  LEU   3          HD11      LEU   3   1.557  -2.730  -0.610
   18   2HD1  LEU   3          HD12      LEU   3   2.553  -2.688  -2.064
   19   3HD1  LEU   3          HD13      LEU   3   1.073  -3.646  -2.037
   20   1HD2  LEU   3          HD21      LEU   3   0.108  -1.037  -4.171
   21   2HD2  LEU   3          HD22      LEU   3  -1.002  -2.083  -3.285
   22   3HD2  LEU   3          HD23      LEU   3   0.496  -2.742  -3.943
   23    HA   PRO   4           HA       PRO   4  -3.904   2.814  -0.655
   24   1HB   PRO   4          HB2       PRO   4  -4.149   2.815  -3.623
   25   2HB   PRO   4          HB1       PRO   4  -4.421   4.127  -2.471
   26   1HG   PRO   4          HG2       PRO   4  -2.225   4.080  -3.970
   27   2HG   PRO   4          HG1       PRO   4  -2.157   4.602  -2.275
   28   1HD   PRO   4          HD2       PRO   4  -1.310   2.011  -3.500
   29   2HD   PRO   4          HD1       PRO   4  -0.561   2.935  -2.181
   30    H    TRP   5           HN       TRP   5  -3.372   0.213  -2.961
   31    HA   TRP   5           HA       TRP   5  -6.082  -0.793  -2.387
   32   1HB   TRP   5          HB2       TRP   5  -5.403  -2.156  -4.624
   33   2HB   TRP   5          HB1       TRP   5  -6.269  -0.624  -4.641
   34    HD1  TRP   5           HD1      TRP   5  -2.663  -1.969  -5.031
   35    HE1  TRP   5           HE1      TRP   5  -1.359  -0.335  -6.532
   36    HE3  TRP   5           HE3      TRP   5  -6.225   1.657  -5.568
   37    HZ2  TRP   5           HZ2      TRP   5  -1.784   2.162  -7.777
   38    HZ3  TRP   5           HZ3      TRP   5  -5.697   3.637  -6.929
   39    HH2  TRP   5           HH2      TRP   5  -3.521   3.884  -8.009
   40    H    SER   6           HN       SER   6  -3.259  -1.233  -1.146
   41    HA   SER   6           HA       SER   6  -3.672  -4.021  -0.603
   42   1HB   SER   6          HB2       SER   6  -2.153  -3.627  -2.772
   43   2HB   SER   6          HB1       SER   6  -0.905  -3.430  -1.542
   44    HG   SER   6           HG       SER   6  -1.868  -5.512  -0.698
   45    H    ASP   7           HN       ASP   7  -0.782  -4.168   0.263
   46    HA   ASP   7           HA       ASP   7  -1.016  -2.436   2.629
   47   1HB   ASP   7          HB2       ASP   7  -0.234  -5.308   2.357
   48   2HB   ASP   7          HB1       ASP   7   0.506  -4.350   3.637
   49    H    GLY   8           HN       GLY   8   1.710  -4.485   1.691
   50   1HA   GLY   8          HA2       GLY   8   3.943  -3.953   1.488
   51   2HA   GLY   8          HA1       GLY   8   3.339  -2.787   0.323
   52    HA   PRO   9           HA       PRO   9   4.128  -0.657   4.681
   53   1HB   PRO   9          HB2       PRO   9   6.479  -1.579   5.749
   54   2HB   PRO   9          HB1       PRO   9   4.881  -2.145   6.245
   55   1HG   PRO   9          HG2       PRO   9   6.832  -3.395   4.353
   56   2HG   PRO   9          HG1       PRO   9   5.823  -4.163   5.593
   57   1HD   PRO   9          HD2       PRO   9   5.168  -4.231   2.984
   58   2HD   PRO   9          HD1       PRO   9   3.934  -4.129   4.257
   59    H    CYS  10           HN       CYS  10   5.077   1.270   4.410
   60    HA   CYS  10           HA       CYS  10   6.662   1.889   2.213
   61   1HB   CYS  10          HB2       CYS  10   6.467   3.410   4.821
   62   2HB   CYS  10          HB1       CYS  10   7.042   4.061   3.290
  Start of MODEL   38
    1   1H    ALA   1           HT1      ALA   1   1.261   0.988   5.567
    2   2H    ALA   1           HT2      ALA   1   0.261  -0.263   6.184
    3   3H    ALA   1           HT3      ALA   1  -0.323   1.349   6.112
    4    HA   ALA   1           HA       ALA   1   0.124  -0.577   3.966
    5   1HB   ALA   1          HB1       ALA   1  -2.137   0.303   3.312
    6   2HB   ALA   1          HB2       ALA   1  -2.144   1.202   4.829
    7   3HB   ALA   1          HB3       ALA   1  -2.079  -0.560   4.848
    8    H    CYS   2           HN       CYS   2   1.766   0.303   2.743
    9    HA   CYS   2           HA       CYS   2   1.596   3.086   1.942
   10   1HB   CYS   2          HB2       CYS   2   3.669   1.236   2.409
   11   2HB   CYS   2          HB1       CYS   2   3.736   1.645   0.708
   12    H    LEU   3           HN       LEU   3  -0.089   0.676   0.992
   13    HA   LEU   3           HA       LEU   3   0.203   1.234  -1.885
   14   1HB   LEU   3          HB2       LEU   3  -0.389  -1.329  -0.454
   15   2HB   LEU   3          HB1       LEU   3  -0.970  -1.085  -2.090
   16    HG   LEU   3           HG       LEU   3   1.910  -1.081  -1.187
   17   1HD1  LEU   3          HD11      LEU   3   2.065  -3.036  -2.690
   18   2HD1  LEU   3          HD12      LEU   3   0.318  -2.966  -2.918
   19   3HD1  LEU   3          HD13      LEU   3   0.986  -3.303  -1.321
   20   1HD2  LEU   3          HD21      LEU   3   2.078   0.410  -2.893
   21   2HD2  LEU   3          HD22      LEU   3   0.605  -0.154  -3.681
   22   3HD2  LEU   3          HD23      LEU   3   2.099  -1.078  -3.839
   23    HA   PRO   4           HA       PRO   4  -3.881   2.968  -1.674
   24   1HB   PRO   4          HB2       PRO   4  -4.121   1.965  -4.461
   25   2HB   PRO   4          HB1       PRO   4  -4.353   3.599  -3.829
   26   1HG   PRO   4          HG2       PRO   4  -2.173   2.987  -5.223
   27   2HG   PRO   4          HG1       PRO   4  -2.076   4.055  -3.810
   28   1HD   PRO   4          HD2       PRO   4  -1.333   1.167  -4.061
   29   2HD   PRO   4          HD1       PRO   4  -0.510   2.471  -3.180
   30    H    TRP   5           HN       TRP   5  -3.708  -0.024  -3.605
   31    HA   TRP   5           HA       TRP   5  -6.237  -0.879  -2.383
   32   1HB   TRP   5          HB2       TRP   5  -5.868  -2.698  -4.337
   33   2HB   TRP   5          HB1       TRP   5  -6.685  -1.161  -4.594
   34    HD1  TRP   5           HD1      TRP   5  -5.839   0.109  -6.641
   35    HE1  TRP   5           HE1      TRP   5  -3.657   0.187  -8.002
   36    HE3  TRP   5           HE3      TRP   5  -3.026  -3.108  -3.844
   37    HZ2  TRP   5           HZ2      TRP   5  -1.080  -0.963  -7.901
   38    HZ3  TRP   5           HZ3      TRP   5  -0.711  -3.566  -4.541
   39    HH2  TRP   5           HH2      TRP   5   0.240  -2.514  -6.528
   40    H    SER   6           HN       SER   6  -3.522  -1.069  -1.152
   41    HA   SER   6           HA       SER   6  -3.784  -3.731  -0.153
   42   1HB   SER   6          HB2       SER   6  -2.528  -4.168  -2.235
   43   2HB   SER   6          HB1       SER   6  -1.287  -3.027  -1.719
   44    HG   SER   6           HG       SER   6  -1.085  -5.449  -1.274
   45    H    ASP   7           HN       ASP   7  -0.845  -3.619   0.587
   46    HA   ASP   7           HA       ASP   7  -0.892  -1.349   2.433
   47   1HB   ASP   7          HB2       ASP   7   0.194  -3.147   4.088
   48   2HB   ASP   7          HB1       ASP   7  -1.540  -2.855   4.022
   49    H    GLY   8           HN       GLY   8   1.357  -4.079   2.452
   50   1HA   GLY   8          HA2       GLY   8   3.600  -4.197   1.990
   51   2HA   GLY   8          HA1       GLY   8   3.333  -2.931   0.803
   52    HA   PRO   9           HA       PRO   9   5.226  -1.307   4.968
   53   1HB   PRO   9          HB2       PRO   9   7.806  -2.137   4.953
   54   2HB   PRO   9          HB1       PRO   9   6.516  -3.046   5.749
   55   1HG   PRO   9          HG2       PRO   9   7.762  -3.485   3.062
   56   2HG   PRO   9          HG1       PRO   9   7.339  -4.676   4.306
   57   1HD   PRO   9          HD2       PRO   9   5.783  -4.221   2.137
   58   2HD   PRO   9          HD1       PRO   9   5.112  -4.694   3.711
   59    H    CYS  10           HN       CYS  10   5.938   0.729   4.774
   60    HA   CYS  10           HA       CYS  10   6.713   1.780   2.263
   61   1HB   CYS  10          HB2       CYS  10   6.954   3.050   4.999
   62   2HB   CYS  10          HB1       CYS  10   7.014   3.896   3.457
  Start of MODEL   39
    1   1H    ALA   1           HT1      ALA   1  -2.247   0.987   3.790
    2   2H    ALA   1           HT2      ALA   1  -2.165   2.595   4.385
    3   3H    ALA   1           HT3      ALA   1  -1.946   1.270   5.453
    4    HA   ALA   1           HA       ALA   1   0.118   2.315   4.929
    5   1HB   ALA   1          HB1       ALA   1  -0.417  -0.335   5.015
    6   2HB   ALA   1          HB2       ALA   1   1.205   0.347   4.904
    7   3HB   ALA   1          HB3       ALA   1   0.381  -0.211   3.448
    8    H    CYS   2           HN       CYS   2   1.904   1.952   3.106
    9    HA   CYS   2           HA       CYS   2   1.735   3.741   1.195
   10   1HB   CYS   2          HB2       CYS   2   3.008   1.595  -0.122
   11   2HB   CYS   2          HB1       CYS   2   3.730   2.959   0.709
   12    H    LEU   3           HN       LEU   3   1.361   0.513   0.135
   13    HA   LEU   3           HA       LEU   3   0.195   0.949  -2.304
   14   1HB   LEU   3          HB2       LEU   3   0.200  -1.325  -0.406
   15   2HB   LEU   3          HB1       LEU   3  -0.988  -1.380  -1.694
   16    HG   LEU   3           HG       LEU   3   0.746  -1.284  -3.375
   17   1HD1  LEU   3          HD11      LEU   3   2.637  -1.002  -1.047
   18   2HD1  LEU   3          HD12      LEU   3   2.329   0.178  -2.321
   19   3HD1  LEU   3          HD13      LEU   3   3.134  -1.343  -2.704
   20   1HD2  LEU   3          HD21      LEU   3   0.404  -3.495  -2.895
   21   2HD2  LEU   3          HD22      LEU   3   0.930  -3.329  -1.220
   22   3HD2  LEU   3          HD23      LEU   3   2.122  -3.355  -2.520
   23    HA   PRO   4           HA       PRO   4  -3.682   2.868  -0.938
   24   1HB   PRO   4          HB2       PRO   4  -4.136   2.825  -3.871
   25   2HB   PRO   4          HB1       PRO   4  -4.248   4.174  -2.735
   26   1HG   PRO   4          HG2       PRO   4  -2.200   3.992  -4.425
   27   2HG   PRO   4          HG1       PRO   4  -1.957   4.554  -2.759
   28   1HD   PRO   4          HD2       PRO   4  -1.380   1.871  -3.959
   29   2HD   PRO   4          HD1       PRO   4  -0.421   2.817  -2.800
   30    H    TRP   5           HN       TRP   5  -3.240   0.184  -3.138
   31    HA   TRP   5           HA       TRP   5  -5.992  -0.710  -2.614
   32   1HB   TRP   5          HB2       TRP   5  -5.145  -2.404  -4.548
   33   2HB   TRP   5          HB1       TRP   5  -5.943  -0.870  -4.875
   34    HD1  TRP   5           HD1      TRP   5  -2.285  -2.104  -4.414
   35    HE1  TRP   5           HE1      TRP   5  -0.808  -0.839  -6.097
   36    HE3  TRP   5           HE3      TRP   5  -5.839   0.916  -6.501
   37    HZ2  TRP   5           HZ2      TRP   5  -1.108   1.174  -8.050
   38    HZ3  TRP   5           HZ3      TRP   5  -5.162   2.486  -8.271
   39    HH2  TRP   5           HH2      TRP   5  -2.844   2.612  -9.028
   40    H    SER   6           HN       SER   6  -3.253  -1.043  -1.106
   41    HA   SER   6           HA       SER   6  -3.873  -3.609  -0.037
   42   1HB   SER   6          HB2       SER   6  -1.190  -3.359  -1.408
   43   2HB   SER   6          HB1       SER   6  -1.891  -4.798  -0.668
   44    HG   SER   6           HG       SER   6  -2.618  -3.509  -3.070
   45    H    ASP   7           HN       ASP   7  -0.944  -3.836   0.755
   46    HA   ASP   7           HA       ASP   7  -0.821  -1.559   2.605
   47   1HB   ASP   7          HB2       ASP   7   0.277  -3.481   4.142
   48   2HB   ASP   7          HB1       ASP   7  -1.433  -3.066   4.195
   49    H    GLY   8           HN       GLY   8   1.287  -4.397   2.344
   50   1HA   GLY   8          HA2       GLY   8   3.493  -4.598   1.748
   51   2HA   GLY   8          HA1       GLY   8   3.277  -3.164   0.756
   52    HA   PRO   9           HA       PRO   9   5.470  -2.193   4.921
   53   1HB   PRO   9          HB2       PRO   9   7.944  -3.230   4.772
   54   2HB   PRO   9          HB1       PRO   9   6.580  -4.163   5.399
   55   1HG   PRO   9          HG2       PRO   9   7.845  -4.246   2.688
   56   2HG   PRO   9          HG1       PRO   9   7.300  -5.588   3.710
   57   1HD   PRO   9          HD2       PRO   9   5.847  -4.582   1.619
   58   2HD   PRO   9          HD1       PRO   9   5.123  -5.383   3.027
   59    H    CYS  10           HN       CYS  10   6.458  -0.253   5.006
   60    HA   CYS  10           HA       CYS  10   8.385   0.521   2.973
   61   1HB   CYS  10          HB2       CYS  10   5.911   2.193   3.451
   62   2HB   CYS  10          HB1       CYS  10   7.212   2.533   2.315
  Start of MODEL   40
    1   1H    ALA   1           HT1      ALA   1   5.223   5.011   3.098
    2   2H    ALA   1           HT2      ALA   1   4.768   6.593   2.612
    3   3H    ALA   1           HT3      ALA   1   4.821   5.320   1.461
    4    HA   ALA   1           HA       ALA   1   3.090   5.189   3.813
    5   1HB   ALA   1          HB1       ALA   1   2.030   6.161   1.207
    6   2HB   ALA   1          HB2       ALA   1   2.832   7.308   2.280
    7   3HB   ALA   1          HB3       ALA   1   1.418   6.415   2.842
    8    H    CYS   2           HN       CYS   2   1.354   3.687   3.469
    9    HA   CYS   2           HA       CYS   2   2.154   1.453   1.827
   10   1HB   CYS   2          HB2       CYS   2   0.759   1.841   4.256
   11   2HB   CYS   2          HB1       CYS   2  -0.361   1.083   3.143
   12    H    LEU   3           HN       LEU   3   0.432   0.281   0.568
   13    HA   LEU   3           HA       LEU   3  -1.012   2.235  -1.061
   14   1HB   LEU   3          HB2       LEU   3  -0.234  -0.629  -1.544
   15   2HB   LEU   3          HB1       LEU   3  -1.305   0.249  -2.615
   16    HG   LEU   3           HG       LEU   3   1.561   0.977  -2.002
   17   1HD1  LEU   3          HD11      LEU   3   2.193  -0.080  -3.884
   18   2HD1  LEU   3          HD12      LEU   3   0.704   0.323  -4.738
   19   3HD1  LEU   3          HD13      LEU   3   0.733  -1.028  -3.605
   20   1HD2  LEU   3          HD21      LEU   3  -0.641   2.391  -3.379
   21   2HD2  LEU   3          HD22      LEU   3   0.942   2.432  -4.155
   22   3HD2  LEU   3          HD23      LEU   3   0.752   3.032  -2.508
   23    HA   PRO   4           HA       PRO   4  -4.957   1.268   0.678
   24   1HB   PRO   4          HB2       PRO   4  -6.000   1.616  -2.078
   25   2HB   PRO   4          HB1       PRO   4  -6.460   2.443  -0.586
   26   1HG   PRO   4          HG2       PRO   4  -5.006   3.685  -2.440
   27   2HG   PRO   4          HG1       PRO   4  -4.692   3.937  -0.712
   28   1HD   PRO   4          HD2       PRO   4  -3.194   2.263  -2.689
   29   2HD   PRO   4          HD1       PRO   4  -2.575   3.282  -1.372
   30    H    TRP   5           HN       TRP   5  -4.339  -0.142  -2.541
   31    HA   TRP   5           HA       TRP   5  -5.835  -2.529  -1.687
   32   1HB   TRP   5          HB2       TRP   5  -5.579  -2.894  -4.354
   33   2HB   TRP   5          HB1       TRP   5  -6.936  -2.059  -3.610
   34    HD1  TRP   5           HD1      TRP   5  -7.492   0.113  -4.817
   35    HE1  TRP   5           HE1      TRP   5  -6.181   1.905  -6.117
   36    HE3  TRP   5           HE3      TRP   5  -2.789  -1.841  -4.375
   37    HZ2  TRP   5           HZ2      TRP   5  -3.507   2.423  -6.856
   38    HZ3  TRP   5           HZ3      TRP   5  -0.909  -0.636  -5.407
   39    HH2  TRP   5           HH2      TRP   5  -1.262   1.452  -6.621
   40    H    SER   6           HN       SER   6  -3.032  -1.969  -1.027
   41    HA   SER   6           HA       SER   6  -1.943  -4.496  -1.365
   42   1HB   SER   6          HB2       SER   6  -1.681  -4.138  -3.706
   43   2HB   SER   6          HB1       SER   6  -1.043  -2.513  -3.459
   44    HG   SER   6           HG       SER   6   0.210  -4.989  -3.179
   45    H    ASP   7           HN       ASP   7  -2.020  -3.131   0.820
   46    HA   ASP   7           HA       ASP   7  -0.462  -1.239   1.754
   47   1HB   ASP   7          HB2       ASP   7  -0.677  -4.029   2.874
   48   2HB   ASP   7          HB1       ASP   7   0.118  -2.721   3.744
   49    H    GLY   8           HN       GLY   8   1.050  -4.465   1.770
   50   1HA   GLY   8          HA2       GLY   8   3.225  -5.115   1.442
   51   2HA   GLY   8          HA1       GLY   8   3.290  -3.847   0.229
   52    HA   PRO   9           HA       PRO   9   6.453  -2.075   2.815
   53   1HB   PRO   9          HB2       PRO   9   6.449   0.434   1.703
   54   2HB   PRO   9          HB1       PRO   9   7.283  -0.957   1.003
   55   1HG   PRO   9          HG2       PRO   9   4.615   0.203   0.301
   56   2HG   PRO   9          HG1       PRO   9   5.894  -0.398  -0.772
   57   1HD   PRO   9          HD2       PRO   9   3.716  -1.867  -0.215
   58   2HD   PRO   9          HD1       PRO   9   5.312  -2.614  -0.430
   59    H    CYS  10           HN       CYS  10   5.191  -2.123   4.745
   60    HA   CYS  10           HA       CYS  10   3.887   0.445   5.374
   61   1HB   CYS  10          HB2       CYS  10   2.965  -2.287   5.702
   62   2HB   CYS  10          HB1       CYS  10   2.976  -1.429   7.240
  Start of MODEL   41
    1   1H    ALA   1           HT1      ALA   1   2.069   5.920   3.601
    2   2H    ALA   1           HT2      ALA   1   3.554   6.779   3.561
    3   3H    ALA   1           HT3      ALA   1   3.553   5.066   3.674
    4    HA   ALA   1           HA       ALA   1   2.355   6.501   1.419
    5   1HB   ALA   1          HB1       ALA   1   4.619   5.696   0.331
    6   2HB   ALA   1          HB2       ALA   1   5.211   5.894   1.981
    7   3HB   ALA   1          HB3       ALA   1   4.490   7.262   1.133
    8    H    CYS   2           HN       CYS   2   1.324   4.256   2.789
    9    HA   CYS   2           HA       CYS   2   2.141   1.897   1.339
   10   1HB   CYS   2          HB2       CYS   2   0.880   2.466   3.803
   11   2HB   CYS   2          HB1       CYS   2  -0.271   1.557   2.844
   12    H    LEU   3           HN       LEU   3   0.402   0.526   0.331
   13    HA   LEU   3           HA       LEU   3  -1.260   2.232  -1.378
   14   1HB   LEU   3          HB2       LEU   3   0.346  -0.089  -1.822
   15   2HB   LEU   3          HB1       LEU   3  -1.311  -0.467  -2.253
   16    HG   LEU   3           HG       LEU   3   0.258   1.871  -3.341
   17   1HD1  LEU   3          HD11      LEU   3  -0.546  -0.354  -5.093
   18   2HD1  LEU   3          HD12      LEU   3   0.747  -0.705  -3.947
   19   3HD1  LEU   3          HD13      LEU   3   0.922   0.623  -5.094
   20   1HD2  LEU   3          HD21      LEU   3  -1.908   2.548  -3.602
   21   2HD2  LEU   3          HD22      LEU   3  -2.532   0.900  -3.676
   22   3HD2  LEU   3          HD23      LEU   3  -1.707   1.594  -5.071
   23    HA   PRO   4           HA       PRO   4  -4.915   1.014   0.864
   24   1HB   PRO   4          HB2       PRO   4  -6.271   1.540  -1.725
   25   2HB   PRO   4          HB1       PRO   4  -6.596   2.218  -0.127
   26   1HG   PRO   4          HG2       PRO   4  -5.407   3.687  -1.996
   27   2HG   PRO   4          HG1       PRO   4  -4.891   3.787  -0.301
   28   1HD   PRO   4          HD2       PRO   4  -3.612   2.342  -2.590
   29   2HD   PRO   4          HD1       PRO   4  -2.855   3.288  -1.291
   30    H    TRP   5           HN       TRP   5  -4.586  -0.075  -2.509
   31    HA   TRP   5           HA       TRP   5  -6.052  -2.520  -1.858
   32   1HB   TRP   5          HB2       TRP   5  -5.070  -2.262  -4.606
   33   2HB   TRP   5          HB1       TRP   5  -6.697  -2.582  -4.017
   34    HD1  TRP   5           HD1      TRP   5  -8.169  -0.344  -3.325
   35    HE1  TRP   5           HE1      TRP   5  -8.125   2.018  -4.347
   36    HE3  TRP   5           HE3      TRP   5  -3.633  -0.559  -5.663
   37    HZ2  TRP   5           HZ2      TRP   5  -6.393   3.583  -5.934
   38    HZ3  TRP   5           HZ3      TRP   5  -2.852   1.412  -6.912
   39    HH2  TRP   5           HH2      TRP   5  -4.205   3.440  -7.044
   40    H    SER   6           HN       SER   6  -3.213  -1.863  -1.038
   41    HA   SER   6           HA       SER   6  -2.109  -4.367  -1.021
   42   1HB   SER   6          HB2       SER   6  -1.832  -4.476  -3.366
   43   2HB   SER   6          HB1       SER   6  -1.299  -2.798  -3.467
   44    HG   SER   6           HG       SER   6   0.112  -5.065  -2.575
   45    H    ASP   7           HN       ASP   7  -1.885  -3.152   1.023
   46    HA   ASP   7           HA       ASP   7  -0.439  -0.959   1.606
   47   1HB   ASP   7          HB2       ASP   7  -0.122  -3.552   3.126
   48   2HB   ASP   7          HB1       ASP   7   0.087  -1.922   3.758
   49    H    GLY   8           HN       GLY   8   1.157  -4.154   1.701
   50   1HA   GLY   8          HA2       GLY   8   3.221  -4.764   0.811
   51   2HA   GLY   8          HA1       GLY   8   3.422  -3.121   0.222
   52    HA   PRO   9           HA       PRO   9   6.469  -3.412   3.609
   53   1HB   PRO   9          HB2       PRO   9   8.005  -1.348   2.719
   54   2HB   PRO   9          HB1       PRO   9   8.152  -2.999   2.104
   55   1HG   PRO   9          HG2       PRO   9   6.705  -0.659   0.924
   56   2HG   PRO   9          HG1       PRO   9   7.729  -1.863   0.120
   57   1HD   PRO   9          HD2       PRO   9   5.032  -1.983   0.048
   58   2HD   PRO   9          HD1       PRO   9   6.044  -3.441   0.062
   59    H    CYS  10           HN       CYS  10   5.432  -2.668   5.388
   60    HA   CYS  10           HA       CYS  10   5.540   0.158   5.931
   61   1HB   CYS  10          HB2       CYS  10   2.942  -1.251   5.458
   62   2HB   CYS  10          HB1       CYS  10   3.019   0.028   6.665
  Start of MODEL   42
    1   1H    ALA   1           HT1      ALA   1   4.030   6.148   2.428
    2   2H    ALA   1           HT2      ALA   1   2.806   5.769   1.285
    3   3H    ALA   1           HT3      ALA   1   4.402   5.176   1.066
    4    HA   ALA   1           HA       ALA   1   4.241   3.770   2.889
    5   1HB   ALA   1          HB1       ALA   1   2.759   3.965   4.580
    6   2HB   ALA   1          HB2       ALA   1   1.436   4.435   3.513
    7   3HB   ALA   1          HB3       ALA   1   2.645   5.624   3.995
    8    H    CYS   2           HN       CYS   2   2.442   1.945   3.202
    9    HA   CYS   2           HA       CYS   2   2.246   0.462   0.982
   10   1HB   CYS   2          HB2       CYS   2  -0.198  -0.011   2.359
   11   2HB   CYS   2          HB1       CYS   2   1.296  -0.923   2.416
   12    H    LEU   3           HN       LEU   3   0.407  -0.160  -0.391
   13    HA   LEU   3           HA       LEU   3  -0.755   2.170  -1.604
   14   1HB   LEU   3          HB2       LEU   3  -1.014  -0.770  -2.225
   15   2HB   LEU   3          HB1       LEU   3  -1.741   0.497  -3.188
   16    HG   LEU   3           HG       LEU   3   0.999  -0.505  -3.183
   17   1HD1  LEU   3          HD11      LEU   3   0.077  -0.648  -5.245
   18   2HD1  LEU   3          HD12      LEU   3   0.788   0.959  -5.395
   19   3HD1  LEU   3          HD13      LEU   3  -0.926   0.785  -5.020
   20   1HD2  LEU   3          HD21      LEU   3   0.558   2.477  -3.127
   21   2HD2  LEU   3          HD22      LEU   3   2.039   1.685  -3.665
   22   3HD2  LEU   3          HD23      LEU   3   1.513   1.526  -1.989
   23    HA   PRO   4           HA       PRO   4  -4.852   2.457  -0.044
   24   1HB   PRO   4          HB2       PRO   4  -5.856   1.535  -2.705
   25   2HB   PRO   4          HB1       PRO   4  -6.347   2.935  -1.743
   26   1HG   PRO   4          HG2       PRO   4  -4.773   3.266  -3.844
   27   2HG   PRO   4          HG1       PRO   4  -4.466   4.171  -2.349
   28   1HD   PRO   4          HD2       PRO   4  -3.036   1.799  -3.461
   29   2HD   PRO   4          HD1       PRO   4  -2.387   3.193  -2.574
   30    H    TRP   5           HN       TRP   5  -4.334  -0.401  -2.074
   31    HA   TRP   5           HA       TRP   5  -6.185  -1.907  -0.361
   32   1HB   TRP   5          HB2       TRP   5  -5.398  -3.532  -2.528
   33   2HB   TRP   5          HB1       TRP   5  -6.955  -2.752  -2.282
   34    HD1  TRP   5           HD1      TRP   5  -7.610  -0.869  -3.950
   35    HE1  TRP   5           HE1      TRP   5  -6.440   0.258  -5.947
   36    HE3  TRP   5           HE3      TRP   5  -2.920  -2.780  -3.321
   37    HZ2  TRP   5           HZ2      TRP   5  -3.866   0.325  -7.103
   38    HZ3  TRP   5           HZ3      TRP   5  -1.157  -2.141  -4.914
   39    HH2  TRP   5           HH2      TRP   5  -1.622  -0.617  -6.766
   40    H    SER   6           HN       SER   6  -3.558  -1.220   0.527
   41    HA   SER   6           HA       SER   6  -1.798  -2.155   1.617
   42   1HB   SER   6          HB2       SER   6  -3.574  -3.638   2.534
   43   2HB   SER   6          HB1       SER   6  -3.266  -4.770   1.216
   44    HG   SER   6           HG       SER   6  -1.344  -3.926   3.128
   45    H    ASP   7           HN       ASP   7   0.052  -2.082   0.554
   46    HA   ASP   7           HA       ASP   7   1.150  -4.253  -0.802
   47   1HB   ASP   7          HB2       ASP   7  -0.582  -2.684  -2.452
   48   2HB   ASP   7          HB1       ASP   7   1.074  -2.452  -3.004
   49    H    GLY   8           HN       GLY   8   2.932  -3.754   0.420
   50   1HA   GLY   8          HA2       GLY   8   5.128  -2.649  -0.272
   51   2HA   GLY   8          HA1       GLY   8   4.221  -1.154  -0.104
   52    HA   PRO   9           HA       PRO   9   6.221  -1.796   3.975
   53   1HB   PRO   9          HB2       PRO   9   6.570   0.831   4.520
   54   2HB   PRO   9          HB1       PRO   9   7.689  -0.087   3.505
   55   1HG   PRO   9          HG2       PRO   9   5.477   1.760   2.694
   56   2HG   PRO   9          HG1       PRO   9   7.118   1.622   2.036
   57   1HD   PRO   9          HD2       PRO   9   4.949   0.512   0.836
   58   2HD   PRO   9          HD1       PRO   9   6.575  -0.190   0.726
   59    H    CYS  10           HN       CYS  10   4.537  -2.494   5.210
   60    HA   CYS  10           HA       CYS  10   2.715  -0.425   6.234
   61   1HB   CYS  10          HB2       CYS  10   1.989  -2.682   4.671
   62   2HB   CYS  10          HB1       CYS  10   1.419  -2.978   6.310
  Start of MODEL   43
    1   1H    ALA   1           HT1      ALA   1  -0.141   3.288   5.070
    2   2H    ALA   1           HT2      ALA   1   1.428   2.625   4.860
    3   3H    ALA   1           HT3      ALA   1   0.230   1.748   5.722
    4    HA   ALA   1           HA       ALA   1   0.254   0.735   3.709
    5   1HB   ALA   1          HB1       ALA   1  -1.846   1.485   2.587
    6   2HB   ALA   1          HB2       ALA   1  -1.865   2.876   3.671
    7   3HB   ALA   1          HB3       ALA   1  -1.999   1.245   4.327
    8    H    CYS   2           HN       CYS   2   1.788   0.828   2.165
    9    HA   CYS   2           HA       CYS   2   2.444   3.271   0.860
   10   1HB   CYS   2          HB2       CYS   2   3.684   0.788   1.308
   11   2HB   CYS   2          HB1       CYS   2   3.565   0.978  -0.428
   12    H    LEU   3           HN       LEU   3   0.110   1.032   0.442
   13    HA   LEU   3           HA       LEU   3  -0.555   2.070  -2.201
   14   1HB   LEU   3          HB2       LEU   3  -0.451  -0.877  -1.590
   15   2HB   LEU   3          HB1       LEU   3  -1.127  -0.180  -3.043
   16    HG   LEU   3           HG       LEU   3   1.225   0.818  -3.409
   17   1HD1  LEU   3          HD11      LEU   3   2.927   0.206  -2.106
   18   2HD1  LEU   3          HD12      LEU   3   2.403  -1.477  -2.065
   19   3HD1  LEU   3          HD13      LEU   3   1.701  -0.309  -0.951
   20   1HD2  LEU   3          HD21      LEU   3  -0.001  -1.201  -4.518
   21   2HD2  LEU   3          HD22      LEU   3   1.190  -2.154  -3.633
   22   3HD2  LEU   3          HD23      LEU   3   1.720  -0.943  -4.801
   23    HA   PRO   4           HA       PRO   4  -4.534   2.345  -0.235
   24   1HB   PRO   4          HB2       PRO   4  -5.646   2.356  -2.969
   25   2HB   PRO   4          HB1       PRO   4  -5.755   3.584  -1.705
   26   1HG   PRO   4          HG2       PRO   4  -4.222   3.945  -3.868
   27   2HG   PRO   4          HG1       PRO   4  -3.729   4.541  -2.271
   28   1HD   PRO   4          HD2       PRO   4  -2.814   2.104  -3.754
   29   2HD   PRO   4          HD1       PRO   4  -1.870   3.263  -2.794
   30    H    TRP   5           HN       TRP   5  -3.720  -0.098  -2.560
   31    HA   TRP   5           HA       TRP   5  -6.063  -1.676  -1.724
   32   1HB   TRP   5          HB2       TRP   5  -5.242  -3.029  -3.883
   33   2HB   TRP   5          HB1       TRP   5  -6.360  -1.674  -3.981
   34    HD1  TRP   5           HD1      TRP   5  -2.472  -1.868  -3.896
   35    HE1  TRP   5           HE1      TRP   5  -1.573  -0.401  -5.810
   36    HE3  TRP   5           HE3      TRP   5  -6.914  -0.268  -5.842
   37    HZ2  TRP   5           HZ2      TRP   5  -2.613   1.224  -7.871
   38    HZ3  TRP   5           HZ3      TRP   5  -6.879   1.242  -7.783
   39    HH2  TRP   5           HH2      TRP   5  -4.771   1.973  -8.775
   40    H    SER   6           HN       SER   6  -2.739  -1.421  -1.334
   41    HA   SER   6           HA       SER   6  -2.610  -3.901   0.085
   42   1HB   SER   6          HB2       SER   6  -2.239  -4.404  -2.466
   43   2HB   SER   6          HB1       SER   6  -0.634  -3.741  -2.164
   44    HG   SER   6           HG       SER   6  -1.821  -5.864  -0.700
   45    H    ASP   7           HN       ASP   7  -2.154  -2.207   1.633
   46    HA   ASP   7           HA       ASP   7  -0.507  -0.268   1.963
   47   1HB   ASP   7          HB2       ASP   7  -0.323  -2.738   3.696
   48   2HB   ASP   7          HB1       ASP   7   0.298  -1.154   4.149
   49    H    GLY   8           HN       GLY   8   1.082  -3.443   2.347
   50   1HA   GLY   8          HA2       GLY   8   3.043  -4.152   1.252
   51   2HA   GLY   8          HA1       GLY   8   3.296  -2.508   0.686
   52    HA   PRO   9           HA       PRO   9   5.989  -3.396   4.446
   53   1HB   PRO   9          HB2       PRO   9   8.398  -3.578   3.272
   54   2HB   PRO   9          HB1       PRO   9   7.314  -4.971   3.388
   55   1HG   PRO   9          HG2       PRO   9   7.811  -3.145   1.067
   56   2HG   PRO   9          HG1       PRO   9   7.664  -4.913   1.088
   57   1HD   PRO   9          HD2       PRO   9   5.629  -3.232   0.371
   58   2HD   PRO   9          HD1       PRO   9   5.372  -4.843   1.071
   59    H    CYS  10           HN       CYS  10   5.160  -1.100   4.567
   60    HA   CYS  10           HA       CYS  10   7.412   0.734   4.155
   61   1HB   CYS  10          HB2       CYS  10   4.600   1.066   3.185
   62   2HB   CYS  10          HB1       CYS  10   5.508   2.490   3.681
  Start of MODEL   44
    1   1H    ALA   1           HT1      ALA   1   2.611   5.947   4.540
    2   2H    ALA   1           HT2      ALA   1   1.989   7.522   4.259
    3   3H    ALA   1           HT3      ALA   1   3.142   6.848   3.182
    4    HA   ALA   1           HA       ALA   1   0.333   6.120   3.584
    5   1HB   ALA   1          HB1       ALA   1   2.006   7.195   1.353
    6   2HB   ALA   1          HB2       ALA   1   0.448   7.756   1.958
    7   3HB   ALA   1          HB3       ALA   1   0.541   6.280   0.998
    8    H    CYS   2           HN       CYS   2  -0.265   4.058   3.353
    9    HA   CYS   2           HA       CYS   2   1.751   2.075   2.757
   10   1HB   CYS   2          HB2       CYS   2  -0.570   2.236   4.374
   11   2HB   CYS   2          HB1       CYS   2  -0.863   0.985   3.186
   12    H    LEU   3           HN       LEU   3   0.415   0.040   1.589
   13    HA   LEU   3           HA       LEU   3   0.331   0.785  -1.125
   14   1HB   LEU   3          HB2       LEU   3  -0.228  -1.667   0.433
   15   2HB   LEU   3          HB1       LEU   3  -0.956  -1.580  -1.158
   16    HG   LEU   3           HG       LEU   3   1.987  -1.432  -0.512
   17   1HD1  LEU   3          HD11      LEU   3   2.185  -3.548  -1.441
   18   2HD1  LEU   3          HD12      LEU   3   0.629  -3.442  -2.264
   19   3HD1  LEU   3          HD13      LEU   3   0.688  -3.661  -0.515
   20   1HD2  LEU   3          HD21      LEU   3   1.991  -0.088  -2.339
   21   2HD2  LEU   3          HD22      LEU   3   0.455  -0.713  -2.941
   22   3HD2  LEU   3          HD23      LEU   3   1.936  -1.643  -3.171
   23    HA   PRO   4           HA       PRO   4  -3.763   2.643  -1.113
   24   1HB   PRO   4          HB2       PRO   4  -3.407   2.368  -4.048
   25   2HB   PRO   4          HB1       PRO   4  -3.819   3.795  -3.091
   26   1HG   PRO   4          HG2       PRO   4  -1.384   3.509  -4.133
   27   2HG   PRO   4          HG1       PRO   4  -1.611   4.212  -2.520
   28   1HD   PRO   4          HD2       PRO   4  -0.707   1.465  -3.284
   29   2HD   PRO   4          HD1       PRO   4  -0.145   2.513  -1.965
   30    H    TRP   5           HN       TRP   5  -2.846  -0.268  -2.850
   31    HA   TRP   5           HA       TRP   5  -5.685  -1.051  -2.942
   32   1HB   TRP   5          HB2       TRP   5  -4.319  -2.830  -4.590
   33   2HB   TRP   5          HB1       TRP   5  -5.307  -1.470  -5.108
   34    HD1  TRP   5           HD1      TRP   5  -1.643  -2.491  -4.621
   35    HE1  TRP   5           HE1      TRP   5  -0.155  -0.855  -5.937
   36    HE3  TRP   5           HE3      TRP   5  -5.209   0.885  -6.042
   37    HZ2  TRP   5           HZ2      TRP   5  -0.453   1.550  -7.384
   38    HZ3  TRP   5           HZ3      TRP   5  -4.524   2.826  -7.390
   39    HH2  TRP   5           HH2      TRP   5  -2.195   3.150  -8.046
   40    H    SER   6           HN       SER   6  -2.908  -1.598  -1.211
   41    HA   SER   6           HA       SER   6  -4.004  -3.918   0.040
   42   1HB   SER   6          HB2       SER   6  -1.308  -4.312  -1.252
   43   2HB   SER   6          HB1       SER   6  -2.360  -5.526  -0.525
   44    HG   SER   6           HG       SER   6  -2.284  -4.679  -3.060
   45    H    ASP   7           HN       ASP   7  -1.168  -4.659   0.846
   46    HA   ASP   7           HA       ASP   7  -0.779  -2.463   2.765
   47   1HB   ASP   7          HB2       ASP   7   0.459  -4.486   4.014
   48   2HB   ASP   7          HB1       ASP   7  -1.260  -4.164   4.210
   49    H    GLY   8           HN       GLY   8   1.266  -5.225   1.839
   50   1HA   GLY   8          HA2       GLY   8   3.407  -5.310   1.015
   51   2HA   GLY   8          HA1       GLY   8   3.129  -3.709   0.346
   52    HA   PRO   9           HA       PRO   9   6.173  -3.561   3.963
   53   1HB   PRO   9          HB2       PRO   9   8.417  -2.944   2.591
   54   2HB   PRO   9          HB1       PRO   9   7.906  -4.614   2.867
   55   1HG   PRO   9          HG2       PRO   9   7.551  -2.902   0.434
   56   2HG   PRO   9          HG1       PRO   9   8.050  -4.601   0.543
   57   1HD   PRO   9          HD2       PRO   9   5.516  -3.849  -0.074
   58   2HD   PRO   9          HD1       PRO   9   5.888  -5.350   0.798
   59    H    CYS  10           HN       CYS  10   4.762  -1.674   4.292
   60    HA   CYS  10           HA       CYS  10   5.371   0.781   2.925
   61   1HB   CYS  10          HB2       CYS  10   3.804   0.474   5.487
   62   2HB   CYS  10          HB1       CYS  10   3.711   1.789   4.321
  Start of MODEL   45
    1   1H    ALA   1           HT1      ALA   1   2.748   7.729   2.572
    2   2H    ALA   1           HT2      ALA   1   3.543   6.363   3.241
    3   3H    ALA   1           HT3      ALA   1   2.664   7.431   4.257
    4    HA   ALA   1           HA       ALA   1   1.240   5.719   4.047
    5   1HB   ALA   1          HB1       ALA   1   0.304   7.948   3.328
    6   2HB   ALA   1          HB2       ALA   1  -0.589   6.528   2.781
    7   3HB   ALA   1          HB3       ALA   1   0.472   7.387   1.664
    8    H    CYS   2           HN       CYS   2   1.031   3.700   3.313
    9    HA   CYS   2           HA       CYS   2   2.439   2.921   0.916
   10   1HB   CYS   2          HB2       CYS   2   1.807   1.741   3.403
   11   2HB   CYS   2          HB1       CYS   2   1.010   0.780   2.173
   12    H    LEU   3           HN       LEU   3   0.915   0.697   0.165
   13    HA   LEU   3           HA       LEU   3  -1.160   2.013  -1.372
   14   1HB   LEU   3          HB2       LEU   3   0.377  -0.468  -1.554
   15   2HB   LEU   3          HB1       LEU   3  -1.284  -0.631  -2.050
   16    HG   LEU   3           HG       LEU   3   0.627  -0.017  -3.763
   17   1HD1  LEU   3          HD11      LEU   3  -1.587   1.616  -4.508
   18   2HD1  LEU   3          HD12      LEU   3  -2.182   0.182  -3.673
   19   3HD1  LEU   3          HD13      LEU   3  -1.143   0.011  -5.087
   20   1HD2  LEU   3          HD21      LEU   3   1.002   2.257  -4.110
   21   2HD2  LEU   3          HD22      LEU   3   1.129   2.072  -2.360
   22   3HD2  LEU   3          HD23      LEU   3  -0.342   2.734  -3.072
   23    HA   PRO   4           HA       PRO   4  -4.299   1.007   1.701
   24   1HB   PRO   4          HB2       PRO   4  -5.953   1.537  -0.731
   25   2HB   PRO   4          HB1       PRO   4  -6.161   2.132   0.921
   26   1HG   PRO   4          HG2       PRO   4  -5.171   3.725  -0.952
   27   2HG   PRO   4          HG1       PRO   4  -4.496   3.741   0.689
   28   1HD   PRO   4          HD2       PRO   4  -3.391   2.532  -1.805
   29   2HD   PRO   4          HD1       PRO   4  -2.542   3.310  -0.453
   30    H    TRP   5           HN       TRP   5  -3.766  -0.470  -1.412
   31    HA   TRP   5           HA       TRP   5  -4.788  -2.984  -0.447
   32   1HB   TRP   5          HB2       TRP   5  -6.253  -3.024  -2.689
   33   2HB   TRP   5          HB1       TRP   5  -6.899  -2.450  -1.153
   34    HD1  TRP   5           HD1      TRP   5  -8.004  -0.136  -1.251
   35    HE1  TRP   5           HE1      TRP   5  -7.898   1.890  -2.836
   36    HE3  TRP   5           HE3      TRP   5  -4.380  -1.779  -4.451
   37    HZ2  TRP   5           HZ2      TRP   5  -6.482   2.684  -5.139
   38    HZ3  TRP   5           HZ3      TRP   5  -3.705  -0.330  -6.321
   39    HH2  TRP   5           HH2      TRP   5  -4.736   1.857  -6.656
   40    H    SER   6           HN       SER   6  -2.220  -2.016  -1.437
   41    HA   SER   6           HA       SER   6  -1.698  -4.139  -3.278
   42   1HB   SER   6          HB2       SER   6  -2.412  -1.642  -4.410
   43   2HB   SER   6          HB1       SER   6  -0.688  -1.872  -4.699
   44    HG   SER   6           HG       SER   6  -2.833  -3.559  -5.445
   45    H    ASP   7           HN       ASP   7  -0.714  -2.762  -0.727
   46    HA   ASP   7           HA       ASP   7   1.913  -3.615  -0.860
   47   1HB   ASP   7          HB2       ASP   7   1.865  -1.359  -2.298
   48   2HB   ASP   7          HB1       ASP   7   2.103  -0.660  -0.699
   49    H    GLY   8           HN       GLY   8   1.009  -4.448   1.101
   50   1HA   GLY   8          HA2       GLY   8   0.189  -2.768   3.237
   51   2HA   GLY   8          HA1       GLY   8   0.618  -4.467   3.365
   52    HA   PRO   9           HA       PRO   9   4.501  -3.653   5.270
   53   1HB   PRO   9          HB2       PRO   9   6.438  -4.560   3.531
   54   2HB   PRO   9          HB1       PRO   9   5.497  -5.595   4.610
   55   1HG   PRO   9          HG2       PRO   9   5.093  -5.020   1.704
   56   2HG   PRO   9          HG1       PRO   9   4.937  -6.556   2.576
   57   1HD   PRO   9          HD2       PRO   9   2.785  -5.120   1.870
   58   2HD   PRO   9          HD1       PRO   9   2.837  -6.020   3.400
   59    H    CYS  10           HN       CYS  10   5.397  -1.726   5.566
   60    HA   CYS  10           HA       CYS  10   6.462  -0.279   3.239
   61   1HB   CYS  10          HB2       CYS  10   4.233   0.493   4.840
   62   2HB   CYS  10          HB1       CYS  10   5.549   1.614   5.171
  Start of MODEL   46
    1   1H    ALA   1           HT1      ALA   1   4.761   5.218   1.542
    2   2H    ALA   1           HT2      ALA   1   4.552   6.859   2.000
    3   3H    ALA   1           HT3      ALA   1   4.238   6.370   0.385
    4    HA   ALA   1           HA       ALA   1   2.719   5.814   2.823
    5   1HB   ALA   1          HB1       ALA   1   2.231   7.191   0.215
    6   2HB   ALA   1          HB2       ALA   1   1.924   7.758   1.857
    7   3HB   ALA   1          HB3       ALA   1   0.881   6.531   1.139
    8    H    CYS   2           HN       CYS   2   3.770   3.545   2.324
    9    HA   CYS   2           HA       CYS   2   3.269   1.844   0.355
   10   1HB   CYS   2          HB2       CYS   2   2.444   0.407   2.667
   11   2HB   CYS   2          HB1       CYS   2   4.003   0.408   1.867
   12    H    LEU   3           HN       LEU   3   1.613   0.873  -0.666
   13    HA   LEU   3           HA       LEU   3  -0.970   1.840  -0.571
   14   1HB   LEU   3          HB2       LEU   3   0.179  -0.746  -1.557
   15   2HB   LEU   3          HB1       LEU   3  -1.541  -0.442  -1.653
   16    HG   LEU   3           HG       LEU   3   0.154   0.099  -3.652
   17   1HD1  LEU   3          HD11      LEU   3  -1.643   0.998  -4.665
   18   2HD1  LEU   3          HD12      LEU   3  -1.965   2.124  -3.346
   19   3HD1  LEU   3          HD13      LEU   3  -2.464   0.438  -3.209
   20   1HD2  LEU   3          HD21      LEU   3   0.011   2.664  -2.069
   21   2HD2  LEU   3          HD22      LEU   3   0.568   2.525  -3.737
   22   3HD2  LEU   3          HD23      LEU   3   1.465   1.736  -2.440
   23    HA   PRO   4           HA       PRO   4  -2.191   0.214   3.482
   24   1HB   PRO   4          HB2       PRO   4  -4.789   1.209   2.401
   25   2HB   PRO   4          HB1       PRO   4  -4.061   1.464   3.991
   26   1HG   PRO   4          HG2       PRO   4  -4.030   3.403   2.179
   27   2HG   PRO   4          HG1       PRO   4  -2.618   3.111   3.211
   28   1HD   PRO   4          HD2       PRO   4  -3.046   2.415   0.340
   29   2HD   PRO   4          HD1       PRO   4  -1.565   2.939   1.167
   30    H    TRP   5           HN       TRP   5  -3.528  -0.511   0.338
   31    HA   TRP   5           HA       TRP   5  -4.325  -3.150   1.329
   32   1HB   TRP   5          HB2       TRP   5  -6.370  -2.881  -0.275
   33   2HB   TRP   5          HB1       TRP   5  -6.441  -2.192   1.344
   34    HD1  TRP   5           HD1      TRP   5  -5.540  -1.001  -2.240
   35    HE1  TRP   5           HE1      TRP   5  -6.310   1.442  -2.480
   36    HE3  TRP   5           HE3      TRP   5  -7.262  -0.224   2.509
   37    HZ2  TRP   5           HZ2      TRP   5  -7.487   3.435  -0.870
   38    HZ3  TRP   5           HZ3      TRP   5  -8.194   1.980   3.079
   39    HH2  TRP   5           HH2      TRP   5  -8.303   3.772   1.423
   40    H    SER   6           HN       SER   6  -2.086  -2.112  -0.326
   41    HA   SER   6           HA       SER   6  -2.267  -4.080  -2.411
   42   1HB   SER   6          HB2       SER   6  -1.593  -1.353  -3.423
   43   2HB   SER   6          HB1       SER   6  -2.291  -2.727  -4.278
   44    HG   SER   6           HG       SER   6  -3.774  -0.971  -3.866
   45    H    ASP   7           HN       ASP   7  -0.107  -2.510  -3.861
   46    HA   ASP   7           HA       ASP   7   2.112  -3.775  -2.763
   47   1HB   ASP   7          HB2       ASP   7   1.964  -3.002  -5.109
   48   2HB   ASP   7          HB1       ASP   7   2.089  -1.337  -4.550
   49    H    GLY   8           HN       GLY   8   2.054  -3.264  -0.522
   50   1HA   GLY   8          HA2       GLY   8   3.913  -1.513   0.406
   51   2HA   GLY   8          HA1       GLY   8   2.453  -0.543   0.344
   52    HA   PRO   9           HA       PRO   9   2.116  -3.837   3.858
   53   1HB   PRO   9          HB2       PRO   9   4.399  -4.232   5.209
   54   2HB   PRO   9          HB1       PRO   9   4.014  -5.158   3.752
   55   1HG   PRO   9          HG2       PRO   9   5.818  -2.791   4.072
   56   2HG   PRO   9          HG1       PRO   9   6.073  -4.273   3.133
   57   1HD   PRO   9          HD2       PRO   9   5.229  -1.899   2.048
   58   2HD   PRO   9          HD1       PRO   9   4.875  -3.489   1.346
   59    H    CYS  10           HN       CYS  10   1.526  -1.213   3.909
   60    HA   CYS  10           HA       CYS  10   2.824   0.126   6.110
   61   1HB   CYS  10          HB2       CYS  10   1.021   0.848   3.970
   62   2HB   CYS  10          HB1       CYS  10   0.426   1.465   5.507
  Start of MODEL   47
    1   1H    ALA   1           HT1      ALA   1   2.380  -0.133   4.207
    2   2H    ALA   1           HT2      ALA   1   1.397  -1.204   5.120
    3   3H    ALA   1           HT3      ALA   1   1.816   0.332   5.758
    4    HA   ALA   1           HA       ALA   1  -0.056  -0.364   3.632
    5   1HB   ALA   1          HB1       ALA   1  -1.086  -0.166   5.729
    6   2HB   ALA   1          HB2       ALA   1  -1.385   1.379   4.932
    7   3HB   ALA   1          HB3       ALA   1  -0.128   1.250   6.162
    8    H    CYS   2           HN       CYS   2   1.968   0.533   2.286
    9    HA   CYS   2           HA       CYS   2   1.776   3.433   2.082
   10   1HB   CYS   2          HB2       CYS   2   3.893   1.582   1.928
   11   2HB   CYS   2          HB1       CYS   2   3.713   2.273   0.329
   12    H    LEU   3           HN       LEU   3  -0.009   1.150   0.959
   13    HA   LEU   3           HA       LEU   3  -0.613   2.535  -1.498
   14   1HB   LEU   3          HB2       LEU   3  -0.569  -0.231  -2.231
   15   2HB   LEU   3          HB1       LEU   3   0.243   1.125  -2.985
   16    HG   LEU   3           HG       LEU   3   1.485  -0.088  -0.557
   17   1HD1  LEU   3          HD11      LEU   3   0.707  -1.805  -2.452
   18   2HD1  LEU   3          HD12      LEU   3   2.211  -1.984  -1.550
   19   3HD1  LEU   3          HD13      LEU   3   2.229  -1.266  -3.161
   20   1HD2  LEU   3          HD21      LEU   3   3.184   0.493  -2.815
   21   2HD2  LEU   3          HD22      LEU   3   3.219   1.156  -1.182
   22   3HD2  LEU   3          HD23      LEU   3   2.179   1.883  -2.406
   23    HA   PRO   4           HA       PRO   4  -4.671   1.549   0.066
   24   1HB   PRO   4          HB2       PRO   4  -5.458   2.027  -2.761
   25   2HB   PRO   4          HB1       PRO   4  -6.091   2.749  -1.277
   26   1HG   PRO   4          HG2       PRO   4  -4.491   4.138  -2.891
   27   2HG   PRO   4          HG1       PRO   4  -4.360   4.285  -1.128
   28   1HD   PRO   4          HD2       PRO   4  -2.614   2.797  -3.044
   29   2HD   PRO   4          HD1       PRO   4  -2.172   3.713  -1.588
   30    H    TRP   5           HN       TRP   5  -4.335   0.513  -3.333
   31    HA   TRP   5           HA       TRP   5  -5.951  -1.728  -3.167
   32   1HB   TRP   5          HB2       TRP   5  -4.464  -2.562  -5.134
   33   2HB   TRP   5          HB1       TRP   5  -5.427  -1.104  -5.342
   34    HD1  TRP   5           HD1      TRP   5  -1.839  -1.721  -3.957
   35    HE1  TRP   5           HE1      TRP   5  -0.263  -0.027  -5.086
   36    HE3  TRP   5           HE3      TRP   5  -5.227   0.676  -6.941
   37    HZ2  TRP   5           HZ2      TRP   5  -0.436   2.053  -6.987
   38    HZ3  TRP   5           HZ3      TRP   5  -4.441   2.509  -8.384
   39    HH2  TRP   5           HH2      TRP   5  -2.095   3.182  -8.404
   40    H    SER   6           HN       SER   6  -2.728  -1.292  -2.009
   41    HA   SER   6           HA       SER   6  -2.779  -3.911  -0.799
   42   1HB   SER   6          HB2       SER   6  -0.666  -3.188  -2.842
   43   2HB   SER   6          HB1       SER   6  -0.520  -4.530  -1.708
   44    HG   SER   6           HG       SER   6  -1.600  -4.661  -4.030
   45    H    ASP   7           HN       ASP   7  -2.322  -3.408   1.233
   46    HA   ASP   7           HA       ASP   7  -1.307  -1.145   2.286
   47   1HB   ASP   7          HB2       ASP   7  -0.283  -2.801   4.111
   48   2HB   ASP   7          HB1       ASP   7  -2.015  -2.526   3.960
   49    H    GLY   8           HN       GLY   8   0.903  -3.916   2.449
   50   1HA   GLY   8          HA2       GLY   8   3.158  -4.078   2.075
   51   2HA   GLY   8          HA1       GLY   8   2.951  -2.832   0.855
   52    HA   PRO   9           HA       PRO   9   4.752  -1.113   4.998
   53   1HB   PRO   9          HB2       PRO   9   7.248  -2.104   5.248
   54   2HB   PRO   9          HB1       PRO   9   5.840  -2.913   5.947
   55   1HG   PRO   9          HG2       PRO   9   7.308  -3.517   3.409
   56   2HG   PRO   9          HG1       PRO   9   6.691  -4.637   4.638
   57   1HD   PRO   9          HD2       PRO   9   5.394  -4.125   2.296
   58   2HD   PRO   9          HD1       PRO   9   4.557  -4.587   3.791
   59    H    CYS  10           HN       CYS  10   5.566   0.867   4.704
   60    HA   CYS  10           HA       CYS  10   6.534   1.768   2.239
   61   1HB   CYS  10          HB2       CYS  10   6.850   3.024   4.973
   62   2HB   CYS  10          HB1       CYS  10   7.118   3.849   3.441
  Start of MODEL   48
    1   1H    ALA   1           HT1      ALA   1   1.919   5.996   5.242
    2   2H    ALA   1           HT2      ALA   1   3.380   5.182   4.854
    3   3H    ALA   1           HT3      ALA   1   1.959   4.283   5.198
    4    HA   ALA   1           HA       ALA   1   0.935   5.469   3.270
    5   1HB   ALA   1          HB1       ALA   1   2.649   7.200   3.073
    6   2HB   ALA   1          HB2       ALA   1   2.500   6.271   1.582
    7   3HB   ALA   1          HB3       ALA   1   3.849   5.970   2.677
    8    H    CYS   2           HN       CYS   2   0.463   3.158   3.531
    9    HA   CYS   2           HA       CYS   2   2.313   1.288   2.335
   10   1HB   CYS   2          HB2       CYS   2   0.215   1.178   4.225
   11   2HB   CYS   2          HB1       CYS   2  -0.275   0.184   2.868
   12    H    LEU   3           HN       LEU   3   0.715  -0.478   1.041
   13    HA   LEU   3           HA       LEU   3   0.437   0.663  -1.507
   14   1HB   LEU   3          HB2       LEU   3  -0.076  -1.943  -0.258
   15   2HB   LEU   3          HB1       LEU   3  -1.095  -1.600  -1.643
   16    HG   LEU   3           HG       LEU   3   1.923  -1.628  -1.615
   17   1HD1  LEU   3          HD11      LEU   3   0.997  -3.851  -1.536
   18   2HD1  LEU   3          HD12      LEU   3   1.628  -3.537  -3.152
   19   3HD1  LEU   3          HD13      LEU   3  -0.109  -3.474  -2.856
   20   1HD2  LEU   3          HD21      LEU   3  -0.065  -0.859  -3.727
   21   2HD2  LEU   3          HD22      LEU   3   1.550  -1.438  -4.136
   22   3HD2  LEU   3          HD23      LEU   3   1.356   0.025  -3.171
   23    HA   PRO   4           HA       PRO   4  -3.478   2.742  -1.255
   24   1HB   PRO   4          HB2       PRO   4  -3.724   1.976  -4.116
   25   2HB   PRO   4          HB1       PRO   4  -3.830   3.571  -3.364
   26   1HG   PRO   4          HG2       PRO   4  -1.672   2.863  -4.753
   27   2HG   PRO   4          HG1       PRO   4  -1.528   3.826  -3.270
   28   1HD   PRO   4          HD2       PRO   4  -1.002   0.914  -3.701
   29   2HD   PRO   4          HD1       PRO   4  -0.123   2.084  -2.694
   30    H    TRP   5           HN       TRP   5  -3.308  -0.323  -3.046
   31    HA   TRP   5           HA       TRP   5  -6.057  -0.908  -2.175
   32   1HB   TRP   5          HB2       TRP   5  -5.263  -2.827  -4.089
   33   2HB   TRP   5          HB1       TRP   5  -6.431  -1.528  -4.287
   34    HD1  TRP   5           HD1      TRP   5  -5.803   0.397  -5.915
   35    HE1  TRP   5           HE1      TRP   5  -3.750   0.924  -7.376
   36    HE3  TRP   5           HE3      TRP   5  -2.569  -3.099  -4.060
   37    HZ2  TRP   5           HZ2      TRP   5  -1.108  -0.018  -7.698
   38    HZ3  TRP   5           HZ3      TRP   5  -0.298  -3.221  -4.998
   39    HH2  TRP   5           HH2      TRP   5   0.416  -1.712  -6.780
   40    H    SER   6           HN       SER   6  -3.026  -1.498  -1.165
   41    HA   SER   6           HA       SER   6  -3.825  -3.907   0.212
   42   1HB   SER   6          HB2       SER   6  -1.194  -4.015  -1.235
   43   2HB   SER   6          HB1       SER   6  -2.170  -5.341  -0.603
   44    HG   SER   6           HG       SER   6  -2.884  -5.486  -2.568
   45    H    ASP   7           HN       ASP   7  -0.890  -4.368   0.785
   46    HA   ASP   7           HA       ASP   7  -0.375  -2.021   2.471
   47   1HB   ASP   7          HB2       ASP   7   0.596  -3.931   4.082
   48   2HB   ASP   7          HB1       ASP   7  -1.066  -3.361   4.185
   49    H    GLY   8           HN       GLY   8   1.341  -5.117   2.203
   50   1HA   GLY   8          HA2       GLY   8   3.546  -5.560   1.735
   51   2HA   GLY   8          HA1       GLY   8   3.291  -4.484   0.372
   52    HA   PRO   9           HA       PRO   9   6.482  -2.077   2.363
   53   1HB   PRO   9          HB2       PRO   9   6.549  -0.015   0.623
   54   2HB   PRO   9          HB1       PRO   9   7.213  -1.605   0.228
   55   1HG   PRO   9          HG2       PRO   9   4.576  -0.412  -0.537
   56   2HG   PRO   9          HG1       PRO   9   5.715  -1.339  -1.531
   57   1HD   PRO   9          HD2       PRO   9   3.489  -2.433  -0.414
   58   2HD   PRO   9          HD1       PRO   9   4.972  -3.358  -0.721
   59    H    CYS  10           HN       CYS  10   5.773  -1.243   4.260
   60    HA   CYS  10           HA       CYS  10   3.854   0.983   4.168
   61   1HB   CYS  10          HB2       CYS  10   4.181  -1.281   5.937
   62   2HB   CYS  10          HB1       CYS  10   4.238   0.226   6.845
  Start of MODEL   49
    1   1H    ALA   1           HT1      ALA   1  -1.719   1.565   5.590
    2   2H    ALA   1           HT2      ALA   1  -0.488   2.664   5.120
    3   3H    ALA   1           HT3      ALA   1  -0.150   0.984   5.220
    4    HA   ALA   1           HA       ALA   1  -1.376   0.485   3.379
    5   1HB   ALA   1          HB1       ALA   1  -2.567   3.233   3.685
    6   2HB   ALA   1          HB2       ALA   1  -3.382   1.679   3.858
    7   3HB   ALA   1          HB3       ALA   1  -2.817   2.207   2.273
    8    H    CYS   2           HN       CYS   2   0.925   0.476   2.859
    9    HA   CYS   2           HA       CYS   2   1.975   2.855   1.615
   10   1HB   CYS   2          HB2       CYS   2   3.050   0.640   2.982
   11   2HB   CYS   2          HB1       CYS   2   3.671   0.565   1.345
   12    H    LEU   3           HN       LEU   3  -0.047   0.607   0.621
   13    HA   LEU   3           HA       LEU   3   0.945   0.653  -2.147
   14   1HB   LEU   3          HB2       LEU   3  -0.212  -1.571  -0.540
   15   2HB   LEU   3          HB1       LEU   3  -0.609  -1.504  -2.241
   16    HG   LEU   3           HG       LEU   3   1.638  -2.674  -1.041
   17   1HD1  LEU   3          HD11      LEU   3   1.728  -2.200  -3.941
   18   2HD1  LEU   3          HD12      LEU   3   0.244  -2.928  -3.327
   19   3HD1  LEU   3          HD13      LEU   3   1.797  -3.707  -3.027
   20   1HD2  LEU   3          HD21      LEU   3   2.451  -0.289  -2.698
   21   2HD2  LEU   3          HD22      LEU   3   3.517  -1.591  -2.174
   22   3HD2  LEU   3          HD23      LEU   3   2.774  -0.531  -0.981
   23    HA   PRO   4           HA       PRO   4  -2.868   2.300  -3.596
   24   1HB   PRO   4          HB2       PRO   4  -3.359  -0.053  -5.324
   25   2HB   PRO   4          HB1       PRO   4  -3.143   1.643  -5.769
   26   1HG   PRO   4          HG2       PRO   4  -1.233  -0.153  -6.257
   27   2HG   PRO   4          HG1       PRO   4  -0.827   1.493  -5.733
   28   1HD   PRO   4          HD2       PRO   4  -0.894  -1.044  -4.137
   29   2HD   PRO   4          HD1       PRO   4   0.302   0.270  -4.111
   30    H    TRP   5           HN       TRP   5  -2.961  -1.089  -2.680
   31    HA   TRP   5           HA       TRP   5  -5.809  -0.801  -1.999
   32   1HB   TRP   5          HB2       TRP   5  -5.479  -3.450  -1.826
   33   2HB   TRP   5          HB1       TRP   5  -5.872  -2.644  -3.340
   34    HD1  TRP   5           HD1      TRP   5  -2.582  -3.598  -1.488
   35    HE1  TRP   5           HE1      TRP   5  -0.932  -4.506  -3.241
   36    HE3  TRP   5           HE3      TRP   5  -5.461  -3.048  -5.676
   37    HZ2  TRP   5           HZ2      TRP   5  -0.858  -4.930  -6.031
   38    HZ3  TRP   5           HZ3      TRP   5  -4.527  -3.728  -7.848
   39    HH2  TRP   5           HH2      TRP   5  -2.271  -4.648  -8.020
   40    H    SER   6           HN       SER   6  -3.713   0.213  -0.336
   41    HA   SER   6           HA       SER   6  -3.090   0.277   1.850
   42   1HB   SER   6          HB2       SER   6  -5.684  -0.109   1.967
   43   2HB   SER   6          HB1       SER   6  -5.224  -1.706   2.557
   44    HG   SER   6           HG       SER   6  -4.178  -0.759   4.271
   45    H    ASP   7           HN       ASP   7  -1.177  -0.956   1.049
   46    HA   ASP   7           HA       ASP   7  -0.669  -3.159   2.779
   47   1HB   ASP   7          HB2       ASP   7  -1.847  -3.926   0.467
   48   2HB   ASP   7          HB1       ASP   7  -0.161  -3.920  -0.041
   49    H    GLY   8           HN       GLY   8   1.500  -4.119   1.035
   50   1HA   GLY   8          HA2       GLY   8   3.702  -3.678   0.583
   51   2HA   GLY   8          HA1       GLY   8   3.212  -2.022   0.269
   52    HA   PRO   9           HA       PRO   9   5.140  -2.439   4.631
   53   1HB   PRO   9          HB2       PRO   9   7.604  -3.454   4.492
   54   2HB   PRO   9          HB1       PRO   9   6.189  -4.510   4.571
   55   1HG   PRO   9          HG2       PRO   9   7.854  -3.747   2.210
   56   2HG   PRO   9          HG1       PRO   9   7.154  -5.320   2.625
   57   1HD   PRO   9          HD2       PRO   9   6.065  -3.522   0.818
   58   2HD   PRO   9          HD1       PRO   9   5.164  -4.814   1.633
   59    H    CYS  10           HN       CYS  10   5.408  -0.270   4.806
   60    HA   CYS  10           HA       CYS  10   6.872   1.380   3.105
   61   1HB   CYS  10          HB2       CYS  10   6.242   1.795   6.035
   62   2HB   CYS  10          HB1       CYS  10   6.778   3.051   4.926
  Start of MODEL   50
    1   1H    ALA   1           HT1      ALA   1   1.449   6.966   4.722
    2   2H    ALA   1           HT2      ALA   1   2.496   6.990   3.362
    3   3H    ALA   1           HT3      ALA   1   2.460   5.620   4.397
    4    HA   ALA   1           HA       ALA   1   0.011   5.528   3.791
    5   1HB   ALA   1          HB1       ALA   1  -0.512   7.341   2.540
    6   2HB   ALA   1          HB2       ALA   1   0.024   6.290   1.230
    7   3HB   ALA   1          HB3       ALA   1   1.120   7.503   1.892
    8    H    CYS   2           HN       CYS   2  -0.054   3.428   3.361
    9    HA   CYS   2           HA       CYS   2   2.122   2.153   1.949
   10   1HB   CYS   2          HB2       CYS   2   0.314   1.448   4.003
   11   2HB   CYS   2          HB1       CYS   2  -0.010   0.375   2.656
   12    H    LEU   3           HN       LEU   3   0.746  -0.021   0.838
   13    HA   LEU   3           HA       LEU   3   0.176   0.873  -1.721
   14   1HB   LEU   3          HB2       LEU   3   0.216  -1.605  -0.345
   15   2HB   LEU   3          HB1       LEU   3  -1.297  -1.528  -1.227
   16    HG   LEU   3           HG       LEU   3   1.049  -0.731  -2.805
   17   1HD1  LEU   3          HD11      LEU   3   0.972  -3.315  -1.376
   18   2HD1  LEU   3          HD12      LEU   3   2.345  -2.391  -1.985
   19   3HD1  LEU   3          HD13      LEU   3   1.381  -3.370  -3.091
   20   1HD2  LEU   3          HD21      LEU   3  -0.707  -2.946  -3.622
   21   2HD2  LEU   3          HD22      LEU   3  -0.193  -1.513  -4.512
   22   3HD2  LEU   3          HD23      LEU   3  -1.509  -1.401  -3.344
   23    HA   PRO   4           HA       PRO   4  -3.798   2.850  -1.401
   24   1HB   PRO   4          HB2       PRO   4  -4.089   1.787  -4.173
   25   2HB   PRO   4          HB1       PRO   4  -4.337   3.428  -3.566
   26   1HG   PRO   4          HG2       PRO   4  -2.153   2.835  -4.948
   27   2HG   PRO   4          HG1       PRO   4  -2.058   3.898  -3.530
   28   1HD   PRO   4          HD2       PRO   4  -1.283   1.025  -3.804
   29   2HD   PRO   4          HD1       PRO   4  -0.497   2.323  -2.883
   30    H    TRP   5           HN       TRP   5  -3.781  -0.188  -3.261
   31    HA   TRP   5           HA       TRP   5  -6.239  -0.974  -1.843
   32   1HB   TRP   5          HB2       TRP   5  -6.236  -2.596  -4.014
   33   2HB   TRP   5          HB1       TRP   5  -7.040  -1.031  -3.963
   34    HD1  TRP   5           HD1      TRP   5  -6.322   0.679  -5.755
   35    HE1  TRP   5           HE1      TRP   5  -4.434   0.813  -7.498
   36    HE3  TRP   5           HE3      TRP   5  -3.586  -3.377  -4.296
   37    HZ2  TRP   5           HZ2      TRP   5  -2.090  -0.613  -8.165
   38    HZ3  TRP   5           HZ3      TRP   5  -1.532  -3.927  -5.536
   39    HH2  TRP   5           HH2      TRP   5  -0.800  -2.572  -7.430
   40    H    SER   6           HN       SER   6  -3.399  -1.409  -1.047
   41    HA   SER   6           HA       SER   6  -3.661  -4.210  -0.428
   42   1HB   SER   6          HB2       SER   6  -2.346  -3.791  -2.709
   43   2HB   SER   6          HB1       SER   6  -1.013  -3.476  -1.598
   44    HG   SER   6           HG       SER   6  -1.194  -5.696  -2.251
   45    H    ASP   7           HN       ASP   7  -0.711  -4.220   0.210
   46    HA   ASP   7           HA       ASP   7  -0.600  -2.244   2.356
   47   1HB   ASP   7          HB2       ASP   7   0.372  -4.318   3.744
   48   2HB   ASP   7          HB1       ASP   7  -1.332  -3.880   3.768
   49    H    GLY   8           HN       GLY   8   1.342  -5.149   1.687
   50   1HA   GLY   8          HA2       GLY   8   3.551  -5.390   1.113
   51   2HA   GLY   8          HA1       GLY   8   3.429  -3.818   0.335
   52    HA   PRO   9           HA       PRO   9   6.297  -3.540   4.035
   53   1HB   PRO   9          HB2       PRO   9   8.362  -2.382   2.700
   54   2HB   PRO   9          HB1       PRO   9   8.163  -4.132   2.836
   55   1HG   PRO   9          HG2       PRO   9   7.445  -2.315   0.568
   56   2HG   PRO   9          HG1       PRO   9   8.221  -3.909   0.522
   57   1HD   PRO   9          HD2       PRO   9   5.591  -3.563  -0.002
   58   2HD   PRO   9          HD1       PRO   9   6.220  -5.030   0.776
   59    H    CYS  10           HN       CYS  10   6.538  -1.729   5.269
   60    HA   CYS  10           HA       CYS  10   6.273   0.906   4.071
   61   1HB   CYS  10          HB2       CYS  10   4.121  -0.422   5.536
   62   2HB   CYS  10          HB1       CYS  10   4.547   1.143   6.220