*HEADER    TOXIN                                   02-MAY-19   6OTA              
*TITLE     THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE RIBBON DISULFIDE ISOMER
*TITLE    2 OF THE NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST ALPHA-CONOTOXIN   
*TITLE    3 TXIA                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN TXIA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONOTOXIN TX1A;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS TEXTILE;                                  
*SOURCE   4 ORGANISM_COMMON: CLOTH-OF-GOLD CONE;                                 
*SOURCE   5 ORGANISM_TAXID: 6494                                                 
*KEYWDS    CONOTOXIN NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST, TOXIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.J.CLARK,A.NICKE                                                     
*REVDAT   1   06-MAY-20 6OTA    0                                                
# Restraints file 1: restraints.tbl
assign (resid 5     and name HN   ) (resid 5     and name QD   )    5.49    5.49    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    4.17    4.17    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    4.17    4.17    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG   )    4.34    4.34    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB2  )    3.99    3.99    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB1  )    3.99    3.99    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    4.84    4.84    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    4.84    4.84    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    3.02    3.02    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    3.71    3.71    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    3.71    3.71    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    3.20    3.20    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB2  )    3.90    3.90    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB1  )    3.90    3.90    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    4.20    4.20    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    4.20    4.20    0.00
assign (resid 1     and name QA   ) (resid 2     and name HN   )    3.09    3.09    0.00
assign (resid 10    and name HN   ) (resid 10    and name QB   )    3.29    3.29    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    3.52    3.52    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB   )    3.65    3.65    0.00
assign (resid 9     and name HA   ) (resid 9     and name QD1  )    4.61    4.61    0.00
assign (resid 9     and name HN   ) (resid 9     and name QG2  )    4.01    4.01    0.00
assign (resid 9     and name HN   ) (resid 9     and name QD1  )    4.85    4.85    0.00
assign (resid 9     and name QG2  ) (resid 10    and name HN   )    4.12    4.12    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    3.34    3.34    0.00
assign (resid 5     and name HA   ) (resid 6     and name HD2  )    3.42    3.42    0.00
assign (resid 5     and name HA   ) (resid 6     and name HD1  )    3.42    3.42    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.83    2.83    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    3.32    3.32    0.00
assign (resid 10    and name QB   ) (resid 11    and name HN   )    3.78    3.78    0.00
assign (resid 11    and name HN   ) (resid 11    and name QB   )    3.51    3.51    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    3.31    3.31    0.00
assign (resid 11    and name HA   ) (resid 12    and name HN   )    3.49    3.49    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB2  )    3.71    3.71    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB1  )    3.71    3.71    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.85    3.85    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.85    3.85    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    4.60    4.60    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    4.60    4.60    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    3.28    3.28    0.00
assign (resid 15    and name HN   ) (resid 15    and name QD1  )    5.17    5.17    0.00
assign (resid 15    and name HN   ) (resid 15    and name QD2  )    5.17    5.17    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    3.09    3.09    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB2  )    4.17    4.17    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB1  )    4.17    4.17    0.00
assign (resid 11    and name HN   ) (resid 12    and name HN   )    3.99    3.99    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    5.14    5.14    0.00
assign (resid 3     and name HN   ) (resid 16    and name HN   )    4.99    4.99    0.00
assign (resid 3     and name HN   ) (resid 15    and name HA   )    4.45    4.45    0.00
assign (resid 4     and name HB1  ) (resid 5     and name HN   )    4.74    4.74    0.00
assign (resid 4     and name HB2  ) (resid 5     and name HN   )    4.74    4.74    0.00
assign (resid 5     and name HN   ) (resid 6     and name HD2  )    5.31    5.31    0.00
assign (resid 5     and name HN   ) (resid 6     and name HD1  )    5.31    5.31    0.00
assign (resid 3     and name HB2  ) (resid 5     and name HN   )    5.27    5.27    0.00
assign (resid 3     and name HB1  ) (resid 5     and name HN   )    5.27    5.27    0.00
assign (resid 5     and name HN   ) (resid 15    and name QD2  )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 15    and name QD1  )    5.50    5.50    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.28    4.28    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    4.28    4.28    0.00
assign (resid 8     and name HB2  ) (resid 10    and name HN   )    5.48    5.48    0.00
assign (resid 8     and name HB1  ) (resid 10    and name HN   )    5.48    5.48    0.00
assign (resid 9     and name HB   ) (resid 10    and name HN   )    3.81    3.81    0.00
assign (resid 9     and name QD1  ) (resid 10    and name HN   )    5.46    5.46    0.00
assign (resid 9     and name QG2  ) (resid 11    and name HN   )    4.64    4.64    0.00
assign (resid 9     and name QD1  ) (resid 11    and name HN   )    5.50    5.50    0.00
assign (resid 10    and name HA   ) (resid 12    and name HN   )    5.19    5.19    0.00
assign (resid 10    and name QB   ) (resid 12    and name HN   )    5.01    5.01    0.00
assign (resid 15    and name QB   ) (resid 16    and name HN   )    3.88    3.88    0.00
assign (resid 4     and name HA   ) (resid 16    and name HN   )    5.31    5.31    0.00
assign (resid 13    and name HA   ) (resid 15    and name HN   )    5.50    5.50    0.00
assign (resid 14    and name HA   ) (resid 16    and name HN   )    4.94    4.94    0.00
assign (resid 2     and name HA   ) (resid 16    and name HN   )    5.13    5.13    0.00
assign (resid 15    and name QD1  ) (resid 16    and name HN   )    5.33    5.33    0.00
assign (resid 15    and name QD2  ) (resid 16    and name HN   )    5.33    5.33    0.00
assign (resid 2     and name HN   ) (resid 2     and name QB   )    3.42    3.42    0.00
assign (resid 2     and name QB   ) (resid 3     and name HN   )    3.36    3.36    0.00
assign (resid 2     and name QB   ) (resid 16    and name HN   )    3.85    3.85    0.00
assign (resid 3     and name HN   ) (resid 3     and name QB   )    3.11    3.11    0.00
assign (resid 3     and name QB   ) (resid 4     and name HN   )    4.00    4.00    0.00
assign (resid 3     and name QB   ) (resid 5     and name HN   )    4.39    4.39    0.00
assign (resid 3     and name QB   ) (resid 15    and name HA   )    4.22    4.22    0.00
assign (resid 4     and name QB   ) (resid 5     and name HN   )    4.12    4.12    0.00
assign (resid 5     and name HN   ) (resid 5     and name QB   )    3.64    3.64    0.00
assign (resid 5     and name HN   ) (resid 6     and name QD   )    4.46    4.46    0.00
assign (resid 5     and name QB   ) (resid 6     and name QD   )    4.12    4.12    0.00
assign (resid 5     and name QG   ) (resid 6     and name QD   )    4.76    4.76    0.00
assign (resid 6     and name QB   ) (resid 7     and name HA   )    3.63    3.63    0.00
assign (resid 6     and name QB   ) (resid 8     and name HN   )    4.96    4.96    0.00
assign (resid 7     and name QB   ) (resid 8     and name HN   )    3.70    3.70    0.00
assign (resid 8     and name HN   ) (resid 8     and name QB   )    3.28    3.28    0.00
assign (resid 8     and name QB   ) (resid 9     and name HN   )    3.68    3.68    0.00
assign (resid 8     and name QB   ) (resid 10    and name HN   )    4.77    4.77    0.00
assign (resid 9     and name HN   ) (resid 9     and name QG1  )    3.90    3.90    0.00
assign (resid 9     and name QG1  ) (resid 10    and name HN   )    4.39    4.39    0.00
assign (resid 9     and name QG1  ) (resid 11    and name HN   )    4.52    4.52    0.00
assign (resid 9     and name QG1  ) (resid 12    and name HN   )    4.85    4.85    0.00
assign (resid 11    and name HN   ) (resid 11    and name QD2  )    5.32    5.32    0.00
assign (resid 12    and name HN   ) (resid 12    and name QB   )    3.21    3.21    0.00
assign (resid 12    and name HN   ) (resid 15    and name QQD  )    4.86    4.86    0.00
assign (resid 12    and name QB   ) (resid 12    and name QD2  )    3.09    3.09    0.00
assign (resid 14    and name HN   ) (resid 14    and name QB   )    3.25    3.25    0.00
assign (resid 15    and name HN   ) (resid 15    and name QQD  )    4.49    4.49    0.00
assign (resid 15    and name QQD  ) (resid 16    and name HN   )    4.55    4.55    0.00
assign (resid 16    and name HN   ) (resid 16    and name QB   )    3.37    3.37    0.00

!dihedral restraints from TALOSN
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -86.6  103.4 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  148.8   36.6 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -68.9   41.1 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  145.9   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -72.6   20.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -99.3   70.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  139.8   28.3 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -60.5   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  -38.6   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -65.5   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -69.7   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -72.4   63.6 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  129.0   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -27.7   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -70.2   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -23.9   20.1 2

!dihedral restraints from NOE data and coupling constants
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -120.0   30.0 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   30.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name SG   )    1.0  -60.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name CG   )    1.0  -60.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name CG   )    1.0  180.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0  -60.0   30.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -100.0   80.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0 -100.0   80.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name OG   )    1.0   60.0   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name CG   )    1.0   60.0   30.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name CB   ) (resid 8     and name SG   )    1.0  -60.0   30.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name CB   ) (resid 16    and name SG   )    1.0  -60.0   30.0 2

!Hbonds based on slow exchange

assign (resid   16 and name HN   ) (resid   3 and name O    )    2.30    2.30    0.00
assign (resid   16 and name N    ) (resid   3 and name O    )    3.30    3.30    0.00

assign (resid   14 and name HN   ) (resid   12 and name OD1    )    2.30    2.30    0.00
assign (resid   14 and name N    ) (resid   12 and name OD1    )    3.30    3.30    0.00

assign (resid   15 and name HN   ) (resid   12 and name O    )    2.30    2.30    0.00
assign (resid   15 and name N    ) (resid   12 and name O    )    3.30    3.30    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   1.874   6.913  -3.727
    2    H2   GLY   1           HT2      GLY   1   2.339   8.252  -2.828
    3    H3   GLY   1           HT3      GLY   1   1.792   8.471  -4.424
    4    HA2  GLY   1           HA1      GLY   1   0.060   9.053  -2.859
    5    HA3  GLY   1           HA2      GLY   1  -0.369   7.560  -3.693
    6    H    CYS   2           HN       CYS   2  -1.712   7.438  -1.609
    7    HA   CYS   2           HA       CYS   2  -0.146   5.919   0.278
    8    HB2  CYS   2           HB2      CYS   2  -1.960   8.179   0.946
    9    HB3  CYS   2           HB1      CYS   2  -1.566   6.945   2.124
   10    H    CYS   3           HN       CYS   3  -0.878   4.102   0.373
   11    HA   CYS   3           HA       CYS   3  -3.733   3.538  -0.058
   12    HB2  CYS   3           HB2      CYS   3  -1.409   1.667  -0.063
   13    HB3  CYS   3           HB1      CYS   3  -3.046   1.289  -0.584
   14    H    SER   4           HN       SER   4  -4.815   2.959   1.766
   15    HA   SER   4           HA       SER   4  -3.389   1.959   4.080
   16    HB2  SER   4           HB2      SER   4  -5.748   2.090   5.055
   17    HB3  SER   4           HB1      SER   4  -5.022   3.627   4.575
   18    HG   SER   4           HG       SER   4  -6.427   3.839   3.046
   19    H    ARG   5           HN       ARG   5  -4.649   0.774   1.285
   20    HA   ARG   5           HA       ARG   5  -5.416  -1.820   2.438
   21    HB2  ARG   5           HB2      ARG   5  -7.135  -1.993   0.686
   22    HB3  ARG   5           HB1      ARG   5  -7.392  -0.572   1.685
   23    HG2  ARG   5           HG2      ARG   5  -6.350   0.816  -0.059
   24    HG3  ARG   5           HG1      ARG   5  -6.161  -0.619  -1.060
   25    HD2  ARG   5           HD2      ARG   5  -8.789   0.469  -0.058
   26    HD3  ARG   5           HD1      ARG   5  -8.142   0.714  -1.676
   27    HE   ARG   5           HE       ARG   5  -8.179  -1.997  -1.347
   28   HH11  ARG   5          HH11      ARG   5 -10.647   0.558  -1.216
   29   HH12  ARG   5          HH12      ARG   5 -11.913  -0.475  -1.682
   30   HH21  ARG   5          HH21      ARG   5  -9.905  -3.372  -2.012
   31   HH22  ARG   5          HH22      ARG   5 -11.495  -2.753  -2.151
   32    HA   PRO   6           HA       PRO   6  -2.752  -3.829  -0.643
   33    HB2  PRO   6           HB2      PRO   6  -5.155  -5.327  -1.579
   34    HB3  PRO   6           HB1      PRO   6  -3.599  -5.955  -1.029
   35    HG2  PRO   6           HG2      PRO   6  -5.746  -6.147   0.511
   36    HG3  PRO   6           HG1      PRO   6  -4.163  -5.764   1.210
   37    HD2  PRO   6           HD2      PRO   6  -6.475  -3.966   0.650
   38    HD3  PRO   6           HD1      PRO   6  -5.359  -3.968   2.029
   39    HA   PRO   7           HA       PRO   7  -2.194  -5.015  -2.443
   40    HB2  PRO   7           HB2      PRO   7  -0.979  -5.052  -4.783
   41    HB3  PRO   7           HB1      PRO   7  -2.672  -5.555  -4.592
   42    HG2  PRO   7           HG2      PRO   7  -1.607  -3.017  -5.748
   43    HG3  PRO   7           HG1      PRO   7  -3.003  -3.985  -6.249
   44    HD2  PRO   7           HD2      PRO   7  -3.012  -1.710  -4.536
   45    HD3  PRO   7           HD1      PRO   7  -4.377  -2.784  -4.895
   46    H    CYS   8           HN       CYS   8  -1.919  -2.186  -1.890
   47    HA   CYS   8           HA       CYS   8   0.920  -1.600  -2.343
   48    HB2  CYS   8           HB2      CYS   8  -1.068  -0.111  -0.661
   49    HB3  CYS   8           HB1      CYS   8   0.495   0.511  -1.187
   50    H    ILE   9           HN       ILE   9  -0.344  -3.762  -0.493
   51    HA   ILE   9           HA       ILE   9   0.487  -3.089   2.164
   52    HB   ILE   9           HB       ILE   9   0.150  -5.496   2.646
   53   HG12  ILE   9          HG12      ILE   9  -0.922  -5.591  -0.187
   54   HG13  ILE   9          HG11      ILE   9   0.550  -6.369   0.376
   55   HG21  ILE   9          HG21      ILE   9  -2.144  -3.947   1.438
   56   HG22  ILE   9          HG22      ILE   9  -1.578  -3.870   3.106
   57   HG23  ILE   9          HG23      ILE   9  -2.326  -5.345   2.495
   58   HD11  ILE   9          HD11      ILE   9  -1.260  -7.961   0.162
   59   HD12  ILE   9          HD12      ILE   9  -2.254  -7.008   1.262
   60   HD13  ILE   9          HD13      ILE   9  -0.788  -7.792   1.853
   61    H    ALA  10           HN       ALA  10   2.046  -4.295  -0.508
   62    HA   ALA  10           HA       ALA  10   4.138  -5.745   0.807
   63    HB1  ALA  10           HB1      ALA  10   5.252  -5.699  -1.390
   64    HB2  ALA  10           HB2      ALA  10   4.049  -4.546  -1.964
   65    HB3  ALA  10           HB3      ALA  10   3.562  -6.185  -1.532
   66    H    ASN  11           HN       ASN  11   6.520  -4.858   0.118
   67    HA   ASN  11           HA       ASN  11   6.760  -2.443   1.620
   68    HB2  ASN  11           HB2      ASN  11   8.864  -4.193   0.347
   69    HB3  ASN  11           HB1      ASN  11   9.258  -2.678   1.150
   70   HD21  ASN  11          HD21      ASN  11   9.033  -2.537   3.371
   71   HD22  ASN  11          HD22      ASN  11   8.882  -3.919   4.381
   72    H    ASN  12           HN       ASN  12   5.612  -1.117   0.374
   73    HA   ASN  12           HA       ASN  12   7.110   0.148  -1.792
   74    HB2  ASN  12           HB2      ASN  12   5.377  -1.100  -2.925
   75    HB3  ASN  12           HB1      ASN  12   4.172  -0.606  -1.750
   76   HD21  ASN  12          HD21      ASN  12   2.855   0.107  -3.523
   77   HD22  ASN  12          HD22      ASN  12   3.212   1.609  -4.291
   78    HA   PRO  13           HA       PRO  13   6.745   3.677   0.948
   79    HB2  PRO  13           HB2      PRO  13   6.794   5.061  -1.699
   80    HB3  PRO  13           HB1      PRO  13   7.707   5.423  -0.231
   81    HG2  PRO  13           HG2      PRO  13   8.888   4.167  -2.230
   82    HG3  PRO  13           HG1      PRO  13   9.190   3.669  -0.556
   83    HD2  PRO  13           HD2      PRO  13   7.539   2.348  -2.656
   84    HD3  PRO  13           HD1      PRO  13   8.513   1.630  -1.354
   85    H    ASP  14           HN       ASP  14   4.549   3.093  -1.734
   86    HA   ASP  14           HA       ASP  14   2.701   5.180  -1.145
   87    HB2  ASP  14           HB2      ASP  14   2.283   2.589  -2.636
   88    HB3  ASP  14           HB1      ASP  14   0.994   3.756  -2.391
   89    H    LEU  15           HN       LEU  15   3.327   2.301   0.422
   90    HA   LEU  15           HA       LEU  15   0.754   2.018   1.666
   91    HB2  LEU  15           HB2      LEU  15   2.279   0.112   1.433
   92    HB3  LEU  15           HB1      LEU  15   3.461   0.918   2.435
   93    HG   LEU  15           HG       LEU  15   1.891   0.761   4.354
   94   HD11  LEU  15          HD11      LEU  15  -0.042  -0.744   4.186
   95   HD12  LEU  15          HD12      LEU  15   0.216  -0.865   2.444
   96   HD13  LEU  15          HD13      LEU  15  -0.217   0.683   3.166
   97   HD21  LEU  15          HD21      LEU  15   2.172  -1.655   4.698
   98   HD22  LEU  15          HD22      LEU  15   3.627  -0.910   4.042
   99   HD23  LEU  15          HD23      LEU  15   2.564  -1.844   2.990
  100    H    CYS  16           HN       CYS  16   0.104   3.727   2.813
  101    HA   CYS  16           HA       CYS  16   2.008   4.914   4.709
  102    HB2  CYS  16           HB2      CYS  16  -0.484   6.163   3.535
  103    HB3  CYS  16           HB1      CYS  16   0.623   6.943   4.649
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   2.033   8.829  -3.291
    2    H2   GLY   1           HT2      GLY   1   1.117   8.936  -4.731
    3    H3   GLY   1           HT3      GLY   1   1.393   7.434  -3.967
    4    HA2  GLY   1           HA1      GLY   1  -0.102   9.615  -2.703
    5    HA3  GLY   1           HA2      GLY   1  -0.836   8.257  -3.554
    6    H    CYS   2           HN       CYS   2  -1.804   7.539  -1.623
    7    HA   CYS   2           HA       CYS   2   0.005   5.958  -0.049
    8    HB2  CYS   2           HB2      CYS   2  -1.850   8.022   1.076
    9    HB3  CYS   2           HB1      CYS   2  -1.380   6.612   2.005
   10    H    CYS   3           HN       CYS   3  -0.709   4.055   0.286
   11    HA   CYS   3           HA       CYS   3  -3.522   3.390  -0.282
   12    HB2  CYS   3           HB2      CYS   3  -1.135   1.600  -0.065
   13    HB3  CYS   3           HB1      CYS   3  -2.719   1.156  -0.683
   14    H    SER   4           HN       SER   4  -4.632   3.068   1.664
   15    HA   SER   4           HA       SER   4  -3.234   2.010   3.963
   16    HB2  SER   4           HB2      SER   4  -5.621   2.220   4.906
   17    HB3  SER   4           HB1      SER   4  -4.795   3.719   4.459
   18    HG   SER   4           HG       SER   4  -7.096   2.812   3.572
   19    H    ARG   5           HN       ARG   5  -4.466   0.886   1.219
   20    HA   ARG   5           HA       ARG   5  -5.526  -1.611   2.328
   21    HB2  ARG   5           HB2      ARG   5  -7.299  -1.637   0.708
   22    HB3  ARG   5           HB1      ARG   5  -7.319  -0.049   1.435
   23    HG2  ARG   5           HG2      ARG   5  -6.054  -0.639  -1.244
   24    HG3  ARG   5           HG1      ARG   5  -7.719  -0.118  -1.051
   25    HD2  ARG   5           HD2      ARG   5  -6.987   2.014  -0.153
   26    HD3  ARG   5           HD1      ARG   5  -5.313   1.467  -0.124
   27    HE   ARG   5           HE       ARG   5  -6.266   1.213  -2.723
   28   HH11  ARG   5          HH11      ARG   5  -5.666   3.970  -0.520
   29   HH12  ARG   5          HH12      ARG   5  -5.057   4.951  -1.748
   30   HH21  ARG   5          HH21      ARG   5  -5.458   2.645  -4.380
   31   HH22  ARG   5          HH22      ARG   5  -4.947   4.217  -3.967
   32    HA   PRO   6           HA       PRO   6  -2.875  -3.810  -0.622
   33    HB2  PRO   6           HB2      PRO   6  -5.354  -5.018  -1.772
   34    HB3  PRO   6           HB1      PRO   6  -3.892  -5.816  -1.183
   35    HG2  PRO   6           HG2      PRO   6  -6.097  -5.877   0.267
   36    HG3  PRO   6           HG1      PRO   6  -4.522  -5.623   1.045
   37    HD2  PRO   6           HD2      PRO   6  -6.666  -3.645   0.413
   38    HD3  PRO   6           HD1      PRO   6  -5.631  -3.769   1.851
   39    HA   PRO   7           HA       PRO   7  -2.258  -5.015  -2.319
   40    HB2  PRO   7           HB2      PRO   7  -0.928  -5.244  -4.567
   41    HB3  PRO   7           HB1      PRO   7  -2.686  -5.514  -4.498
   42    HG2  PRO   7           HG2      PRO   7  -1.195  -3.159  -5.574
   43    HG3  PRO   7           HG1      PRO   7  -2.662  -3.932  -6.192
   44    HD2  PRO   7           HD2      PRO   7  -2.502  -1.664  -4.479
   45    HD3  PRO   7           HD1      PRO   7  -3.967  -2.548  -4.954
   46    H    CYS   8           HN       CYS   8  -1.700  -2.239  -1.755
   47    HA   CYS   8           HA       CYS   8   1.173  -1.878  -2.203
   48    HB2  CYS   8           HB2      CYS   8  -0.716  -0.189  -0.605
   49    HB3  CYS   8           HB1      CYS   8   0.889   0.293  -1.149
   50    H    ILE   9           HN       ILE   9  -0.070  -3.998  -0.291
   51    HA   ILE   9           HA       ILE   9   0.631  -3.104   2.353
   52    HB   ILE   9           HB       ILE   9  -0.099  -5.898   1.401
   53   HG12  ILE   9          HG12      ILE   9  -1.908  -4.318   0.988
   54   HG13  ILE   9          HG11      ILE   9  -2.345  -5.427   2.280
   55   HG21  ILE   9          HG21      ILE   9   1.070  -6.007   3.507
   56   HG22  ILE   9          HG22      ILE   9  -0.645  -6.354   3.754
   57   HG23  ILE   9          HG23      ILE   9   0.007  -4.777   4.192
   58   HD11  ILE   9          HD11      ILE   9  -1.449  -2.564   2.599
   59   HD12  ILE   9          HD12      ILE   9  -1.819  -3.667   3.921
   60   HD13  ILE   9          HD13      ILE   9  -3.089  -3.185   2.795
   61    H    ALA  10           HN       ALA  10   2.215  -4.802  -0.193
   62    HA   ALA  10           HA       ALA  10   4.314  -5.851   1.474
   63    HB1  ALA  10           HB1      ALA  10   3.633  -6.989  -0.606
   64    HB2  ALA  10           HB2      ALA  10   5.339  -6.566  -0.628
   65    HB3  ALA  10           HB3      ALA  10   4.186  -5.606  -1.550
   66    H    ASN  11           HN       ASN  11   6.525  -5.047  -0.391
   67    HA   ASN  11           HA       ASN  11   7.166  -2.657   1.042
   68    HB2  ASN  11           HB2      ASN  11   8.726  -4.356  -0.883
   69    HB3  ASN  11           HB1      ASN  11   9.329  -2.784  -0.374
   70   HD21  ASN  11          HD21      ASN  11  10.015  -2.510   1.698
   71   HD22  ASN  11          HD22      ASN  11  10.285  -3.827   2.788
   72    H    ASN  12           HN       ASN  12   5.743  -1.220   0.384
   73    HA   ASN  12           HA       ASN  12   6.319   0.019  -2.192
   74    HB2  ASN  12           HB2      ASN  12   4.243  -1.331  -2.356
   75    HB3  ASN  12           HB1      ASN  12   3.543  -0.407  -1.033
   76   HD21  ASN  12          HD21      ASN  12   2.641  -0.796  -3.796
   77   HD22  ASN  12          HD22      ASN  12   2.518   0.791  -4.455
   78    HA   PRO  13           HA       PRO  13   6.940   3.410   0.721
   79    HB2  PRO  13           HB2      PRO  13   6.744   5.016  -1.760
   80    HB3  PRO  13           HB1      PRO  13   8.028   4.984  -0.546
   81    HG2  PRO  13           HG2      PRO  13   8.401   3.852  -2.919
   82    HG3  PRO  13           HG1      PRO  13   9.008   3.080  -1.442
   83    HD2  PRO  13           HD2      PRO  13   6.588   2.413  -3.069
   84    HD3  PRO  13           HD1      PRO  13   7.775   1.340  -2.287
   85    H    ASP  14           HN       ASP  14   4.365   3.139  -1.576
   86    HA   ASP  14           HA       ASP  14   2.884   5.411  -0.661
   87    HB2  ASP  14           HB2      ASP  14   2.133   3.108  -2.462
   88    HB3  ASP  14           HB1      ASP  14   0.988   4.354  -1.997
   89    H    LEU  15           HN       LEU  15   3.430   2.456   0.724
   90    HA   LEU  15           HA       LEU  15   0.821   2.026   1.808
   91    HB2  LEU  15           HB2      LEU  15   2.431   0.190   1.653
   92    HB3  LEU  15           HB1      LEU  15   3.504   1.016   2.760
   93    HG   LEU  15           HG       LEU  15   1.842   0.741   4.565
   94   HD11  LEU  15          HD11      LEU  15  -0.198   0.694   3.262
   95   HD12  LEU  15          HD12      LEU  15  -0.067  -0.766   4.243
   96   HD13  LEU  15          HD13      LEU  15   0.289  -0.828   2.517
   97   HD21  LEU  15          HD21      LEU  15   3.605  -0.916   4.278
   98   HD22  LEU  15          HD22      LEU  15   2.587  -1.819   3.156
   99   HD23  LEU  15          HD23      LEU  15   2.119  -1.673   4.850
  100    H    CYS  16           HN       CYS  16  -0.047   3.651   2.922
  101    HA   CYS  16           HA       CYS  16   1.481   4.732   5.181
  102    HB2  CYS  16           HB2      CYS  16  -0.679   6.206   3.668
  103    HB3  CYS  16           HB1      CYS  16   0.370   6.845   4.905
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   0.994   8.327  -4.955
    2    H2   GLY   1           HT2      GLY   1   0.505   6.715  -4.663
    3    H3   GLY   1           HT3      GLY   1   1.709   7.403  -3.732
    4    HA2  GLY   1           HA1      GLY   1   0.180   8.958  -2.782
    5    HA3  GLY   1           HA2      GLY   1  -1.098   8.290  -3.797
    6    H    CYS   2           HN       CYS   2  -0.726   8.408  -0.863
    7    HA   CYS   2           HA       CYS   2   0.040   5.986   0.182
    8    HB2  CYS   2           HB2      CYS   2  -1.847   8.055   1.209
    9    HB3  CYS   2           HB1      CYS   2  -1.387   6.638   2.140
   10    H    CYS   3           HN       CYS   3  -0.703   4.115   0.170
   11    HA   CYS   3           HA       CYS   3  -3.534   3.593  -0.397
   12    HB2  CYS   3           HB2      CYS   3  -1.180   1.705  -0.233
   13    HB3  CYS   3           HB1      CYS   3  -2.825   1.234  -0.619
   14    H    SER   4           HN       SER   4  -4.777   3.198   1.365
   15    HA   SER   4           HA       SER   4  -3.483   2.471   3.849
   16    HB2  SER   4           HB2      SER   4  -5.884   2.760   4.713
   17    HB3  SER   4           HB1      SER   4  -5.052   4.211   4.162
   18    HG   SER   4           HG       SER   4  -6.283   4.313   2.445
   19    H    ARG   5           HN       ARG   5  -4.446   0.834   1.250
   20    HA   ARG   5           HA       ARG   5  -5.253  -1.547   2.711
   21    HB2  ARG   5           HB2      ARG   5  -7.232  -1.851   1.289
   22    HB3  ARG   5           HB1      ARG   5  -7.337  -0.349   2.190
   23    HG2  ARG   5           HG2      ARG   5  -6.543   0.846   0.152
   24    HG3  ARG   5           HG1      ARG   5  -6.654  -0.683  -0.722
   25    HD2  ARG   5           HD2      ARG   5  -8.658   0.606  -1.100
   26    HD3  ARG   5           HD1      ARG   5  -9.045  -0.807  -0.120
   27    HE   ARG   5           HE       ARG   5  -8.631   1.020   1.760
   28   HH11  ARG   5          HH11      ARG   5 -10.605   1.173  -1.185
   29   HH12  ARG   5          HH12      ARG   5 -11.673   2.339  -0.566
   30   HH21  ARG   5          HH21      ARG   5 -10.138   2.599   2.613
   31   HH22  ARG   5          HH22      ARG   5 -11.415   3.143   1.636
   32    HA   PRO   6           HA       PRO   6  -2.960  -3.797  -0.480
   33    HB2  PRO   6           HB2      PRO   6  -5.461  -5.301  -1.143
   34    HB3  PRO   6           HB1      PRO   6  -3.871  -5.926  -0.703
   35    HG2  PRO   6           HG2      PRO   6  -5.848  -6.005   1.047
   36    HG3  PRO   6           HG1      PRO   6  -4.208  -5.573   1.564
   37    HD2  PRO   6           HD2      PRO   6  -6.571  -3.814   1.092
   38    HD3  PRO   6           HD1      PRO   6  -5.343  -3.731   2.373
   39    HA   PRO   7           HA       PRO   7  -2.643  -5.221  -2.240
   40    HB2  PRO   7           HB2      PRO   7  -1.599  -5.476  -4.672
   41    HB3  PRO   7           HB1      PRO   7  -3.271  -5.921  -4.271
   42    HG2  PRO   7           HG2      PRO   7  -2.294  -3.601  -5.837
   43    HG3  PRO   7           HG1      PRO   7  -3.819  -4.483  -5.963
   44    HD2  PRO   7           HD2      PRO   7  -3.300  -2.042  -4.528
   45    HD3  PRO   7           HD1      PRO   7  -4.829  -2.929  -4.660
   46    H    CYS   8           HN       CYS   8  -2.094  -2.417  -1.897
   47    HA   CYS   8           HA       CYS   8   0.700  -1.962  -2.683
   48    HB2  CYS   8           HB2      CYS   8  -1.043  -0.326  -0.832
   49    HB3  CYS   8           HB1      CYS   8   0.454   0.204  -1.574
   50    H    ILE   9           HN       ILE   9  -0.051  -4.143  -0.837
   51    HA   ILE   9           HA       ILE   9   0.650  -3.375   1.852
   52    HB   ILE   9           HB       ILE   9   0.460  -5.817   2.319
   53   HG12  ILE   9          HG12      ILE   9  -0.713  -5.876  -0.473
   54   HG13  ILE   9          HG11      ILE   9   0.773  -6.663   0.041
   55   HG21  ILE   9          HG21      ILE   9  -1.926  -4.309   1.249
   56   HG22  ILE   9          HG22      ILE   9  -1.279  -4.252   2.889
   57   HG23  ILE   9          HG23      ILE   9  -2.023  -5.732   2.287
   58   HD11  ILE   9          HD11      ILE   9  -0.521  -8.113   1.527
   59   HD12  ILE   9          HD12      ILE   9  -1.059  -8.248  -0.147
   60   HD13  ILE   9          HD13      ILE   9  -2.004  -7.312   1.009
   61    H    ALA  10           HN       ALA  10   2.391  -4.513  -0.782
   62    HA   ALA  10           HA       ALA  10   4.413  -5.918   0.720
   63    HB1  ALA  10           HB1      ALA  10   3.919  -6.538  -1.608
   64    HB2  ALA  10           HB2      ALA  10   5.607  -6.068  -1.427
   65    HB3  ALA  10           HB3      ALA  10   4.459  -4.953  -2.153
   66    H    ASN  11           HN       ASN  11   6.808  -4.947  -0.322
   67    HA   ASN  11           HA       ASN  11   7.188  -2.672   1.327
   68    HB2  ASN  11           HB2      ASN  11   9.101  -4.029  -0.577
   69    HB3  ASN  11           HB1      ASN  11   9.544  -2.603   0.355
   70   HD21  ASN  11          HD21      ASN  11   9.607  -2.787   2.644
   71   HD22  ASN  11          HD22      ASN  11   9.849  -4.318   3.397
   72    H    ASN  12           HN       ASN  12   6.005  -1.131   0.716
   73    HA   ASN  12           HA       ASN  12   6.654   0.279  -1.769
   74    HB2  ASN  12           HB2      ASN  12   4.589  -0.919  -2.167
   75    HB3  ASN  12           HB1      ASN  12   3.919  -0.350  -0.649
   76   HD21  ASN  12          HD21      ASN  12   2.188   0.511  -1.650
   77   HD22  ASN  12          HD22      ASN  12   2.225   1.929  -2.648
   78    HA   PRO  13           HA       PRO  13   7.056   3.503   1.391
   79    HB2  PRO  13           HB2      PRO  13   7.323   5.329  -0.899
   80    HB3  PRO  13           HB1      PRO  13   8.470   4.993   0.395
   81    HG2  PRO  13           HG2      PRO  13   8.889   4.130  -2.119
   82    HG3  PRO  13           HG1      PRO  13   9.400   3.192  -0.707
   83    HD2  PRO  13           HD2      PRO  13   7.021   2.804  -2.481
   84    HD3  PRO  13           HD1      PRO  13   8.116   1.601  -1.759
   85    H    ASP  14           HN       ASP  14   4.811   3.356  -1.201
   86    HA   ASP  14           HA       ASP  14   3.290   5.641  -0.276
   87    HB2  ASP  14           HB2      ASP  14   2.731   3.665  -2.485
   88    HB3  ASP  14           HB1      ASP  14   1.605   4.937  -2.031
   89    H    LEU  15           HN       LEU  15   3.600   2.567   0.824
   90    HA   LEU  15           HA       LEU  15   0.838   2.230   1.566
   91    HB2  LEU  15           HB2      LEU  15   2.289   0.254   1.297
   92    HB3  LEU  15           HB1      LEU  15   3.341   0.845   2.565
   93    HG   LEU  15           HG       LEU  15   1.504   0.562   4.200
   94   HD11  LEU  15          HD11      LEU  15  -0.481  -0.728   3.585
   95   HD12  LEU  15          HD12      LEU  15   0.015  -0.681   1.893
   96   HD13  LEU  15          HD13      LEU  15  -0.408   0.813   2.732
   97   HD21  LEU  15          HD21      LEU  15   1.548  -1.894   4.241
   98   HD22  LEU  15          HD22      LEU  15   3.137  -1.202   3.925
   99   HD23  LEU  15          HD23      LEU  15   2.202  -1.898   2.602
  100    H    CYS  16           HN       CYS  16   0.034   3.692   2.903
  101    HA   CYS  16           HA       CYS  16   1.733   4.644   5.091
  102    HB2  CYS  16           HB2      CYS  16  -0.581   6.122   3.829
  103    HB3  CYS  16           HB1      CYS  16   0.566   6.729   5.010
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   2.149   7.242  -3.599
    2    H2   GLY   1           HT2      GLY   1   2.380   8.739  -2.865
    3    H3   GLY   1           HT3      GLY   1   1.785   8.658  -4.449
    4    HA2  GLY   1           HA1      GLY   1   0.038   9.152  -2.849
    5    HA3  GLY   1           HA2      GLY   1  -0.219   7.621  -3.686
    6    H    CYS   2           HN       CYS   2  -1.593   7.395  -1.679
    7    HA   CYS   2           HA       CYS   2  -0.064   5.826   0.184
    8    HB2  CYS   2           HB2      CYS   2  -1.831   8.110   0.932
    9    HB3  CYS   2           HB1      CYS   2  -1.548   6.797   2.051
   10    H    CYS   3           HN       CYS   3  -0.900   4.005   0.313
   11    HA   CYS   3           HA       CYS   3  -3.759   3.545  -0.237
   12    HB2  CYS   3           HB2      CYS   3  -1.483   1.596  -0.126
   13    HB3  CYS   3           HB1      CYS   3  -3.114   1.244  -0.683
   14    H    SER   4           HN       SER   4  -4.943   3.127   1.611
   15    HA   SER   4           HA       SER   4  -3.574   2.178   3.976
   16    HB2  SER   4           HB2      SER   4  -5.879   2.540   5.002
   17    HB3  SER   4           HB1      SER   4  -5.091   3.990   4.390
   18    HG   SER   4           HG       SER   4  -7.088   4.083   3.634
   19    H    ARG   5           HN       ARG   5  -4.203   0.652   1.432
   20    HA   ARG   5           HA       ARG   5  -5.356  -1.720   2.602
   21    HB2  ARG   5           HB2      ARG   5  -7.067  -1.874   0.808
   22    HB3  ARG   5           HB1      ARG   5  -7.334  -0.522   1.893
   23    HG2  ARG   5           HG2      ARG   5  -6.387   1.004   0.241
   24    HG3  ARG   5           HG1      ARG   5  -6.092  -0.354  -0.846
   25    HD2  ARG   5           HD2      ARG   5  -8.141   0.867  -1.422
   26    HD3  ARG   5           HD1      ARG   5  -8.473  -0.802  -0.965
   27    HE   ARG   5           HE       ARG   5  -8.708   1.274   1.067
   28   HH11  ARG   5          HH11      ARG   5 -10.327  -1.012  -1.085
   29   HH12  ARG   5          HH12      ARG   5 -11.815  -0.929  -0.257
   30   HH21  ARG   5          HH21      ARG   5 -10.734   1.354   2.205
   31   HH22  ARG   5          HH22      ARG   5 -12.061   0.450   1.641
   32    HA   PRO   6           HA       PRO   6  -2.797  -3.812  -0.489
   33    HB2  PRO   6           HB2      PRO   6  -5.269  -5.263  -1.326
   34    HB3  PRO   6           HB1      PRO   6  -3.706  -5.926  -0.826
   35    HG2  PRO   6           HG2      PRO   6  -5.780  -6.064   0.799
   36    HG3  PRO   6           HG1      PRO   6  -4.177  -5.648   1.434
   37    HD2  PRO   6           HD2      PRO   6  -6.500  -3.872   0.843
   38    HD3  PRO   6           HD1      PRO   6  -5.384  -3.844   2.226
   39    HA   PRO   7           HA       PRO   7  -2.335  -5.062  -2.269
   40    HB2  PRO   7           HB2      PRO   7  -1.211  -5.232  -4.632
   41    HB3  PRO   7           HB1      PRO   7  -2.919  -5.654  -4.376
   42    HG2  PRO   7           HG2      PRO   7  -1.775  -3.206  -5.646
   43    HG3  PRO   7           HG1      PRO   7  -3.221  -4.133  -6.084
   44    HD2  PRO   7           HD2      PRO   7  -3.108  -1.806  -4.459
   45    HD3  PRO   7           HD1      PRO   7  -4.516  -2.849  -4.732
   46    H    CYS   8           HN       CYS   8  -1.926  -2.233  -1.813
   47    HA   CYS   8           HA       CYS   8   0.899  -1.752  -2.468
   48    HB2  CYS   8           HB2      CYS   8  -0.921  -0.131  -0.713
   49    HB3  CYS   8           HB1      CYS   8   0.612   0.413  -1.389
   50    H    ILE   9           HN       ILE   9  -0.235  -3.850  -0.513
   51    HA   ILE   9           HA       ILE   9   0.638  -3.060   2.094
   52    HB   ILE   9           HB       ILE   9   0.281  -5.439   2.686
   53   HG12  ILE   9          HG12      ILE   9  -0.811  -5.630  -0.135
   54   HG13  ILE   9          HG11      ILE   9   0.628  -6.438   0.472
   55   HG21  ILE   9          HG21      ILE   9  -2.201  -5.242   2.565
   56   HG22  ILE   9          HG22      ILE   9  -2.002  -3.906   1.428
   57   HG23  ILE   9          HG23      ILE   9  -1.413  -3.752   3.080
   58   HD11  ILE   9          HD11      ILE   9  -0.760  -7.752   1.995
   59   HD12  ILE   9          HD12      ILE   9  -1.260  -7.961   0.317
   60   HD13  ILE   9          HD13      ILE   9  -2.198  -6.926   1.393
   61    H    ALA  10           HN       ALA  10   2.169  -4.407  -0.537
   62    HA   ALA  10           HA       ALA  10   4.276  -5.808   0.780
   63    HB1  ALA  10           HB1      ALA  10   4.179  -4.627  -2.001
   64    HB2  ALA  10           HB2      ALA  10   3.686  -6.261  -1.555
   65    HB3  ALA  10           HB3      ALA  10   5.377  -5.784  -1.426
   66    H    ASN  11           HN       ASN  11   6.683  -4.880  -0.037
   67    HA   ASN  11           HA       ASN  11   7.003  -2.484   1.493
   68    HB2  ASN  11           HB2      ASN  11   9.023  -4.095  -0.093
   69    HB3  ASN  11           HB1      ASN  11   9.442  -2.638   0.797
   70   HD21  ASN  11          HD21      ASN  11  10.358  -5.360   1.147
   71   HD22  ASN  11          HD22      ASN  11   9.982  -5.796   2.776
   72    H    ASN  12           HN       ASN  12   5.832  -1.039   0.524
   73    HA   ASN  12           HA       ASN  12   6.866   0.136  -1.942
   74    HB2  ASN  12           HB2      ASN  12   4.842  -1.286  -2.394
   75    HB3  ASN  12           HB1      ASN  12   3.947  -0.331  -1.229
   76   HD21  ASN  12          HD21      ASN  12   3.439  -0.817  -4.053
   77   HD22  ASN  12          HD22      ASN  12   3.389   0.738  -4.789
   78    HA   PRO  13           HA       PRO  13   6.820   3.624   0.894
   79    HB2  PRO  13           HB2      PRO  13   6.974   5.613  -0.993
   80    HB3  PRO  13           HB1      PRO  13   8.367   4.703  -0.399
   81    HG2  PRO  13           HG2      PRO  13   6.769   4.305  -2.899
   82    HG3  PRO  13           HG1      PRO  13   8.525   4.233  -2.668
   83    HD2  PRO  13           HD2      PRO  13   7.050   2.017  -2.855
   84    HD3  PRO  13           HD1      PRO  13   8.447   2.107  -1.759
   85    H    ASP  14           HN       ASP  14   4.510   3.053  -1.594
   86    HA   ASP  14           HA       ASP  14   2.771   5.261  -0.905
   87    HB2  ASP  14           HB2      ASP  14   2.231   2.840  -2.637
   88    HB3  ASP  14           HB1      ASP  14   1.100   4.159  -2.387
   89    H    LEU  15           HN       LEU  15   3.449   2.396   0.570
   90    HA   LEU  15           HA       LEU  15   0.795   1.978   1.564
   91    HB2  LEU  15           HB2      LEU  15   2.393   0.115   1.380
   92    HB3  LEU  15           HB1      LEU  15   3.439   0.903   2.542
   93    HG   LEU  15           HG       LEU  15   1.718   0.635   4.277
   94   HD11  LEU  15          HD11      LEU  15  -0.217  -0.822   3.858
   95   HD12  LEU  15          HD12      LEU  15   0.183  -0.840   2.138
   96   HD13  LEU  15          HD13      LEU  15  -0.286   0.669   2.921
   97   HD21  LEU  15          HD21      LEU  15   3.424  -1.052   4.045
   98   HD22  LEU  15          HD22      LEU  15   2.471  -1.885   2.819
   99   HD23  LEU  15          HD23      LEU  15   1.891  -1.810   4.483
  100    H    CYS  16           HN       CYS  16  -0.031   3.473   2.806
  101    HA   CYS  16           HA       CYS  16   1.645   4.591   4.925
  102    HB2  CYS  16           HB2      CYS  16  -0.670   5.955   3.531
  103    HB3  CYS  16           HB1      CYS  16   0.323   6.653   4.798
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   1.505   7.252  -3.891
    2    H2   GLY   1           HT2      GLY   1   0.919   8.339  -5.049
    3    H3   GLY   1           HT3      GLY   1   0.272   6.788  -4.939
    4    HA2  GLY   1           HA1      GLY   1   0.031   8.931  -2.919
    5    HA3  GLY   1           HA2      GLY   1  -1.253   8.276  -3.938
    6    H    CYS   2           HN       CYS   2  -0.741   8.351  -0.951
    7    HA   CYS   2           HA       CYS   2   0.068   5.912   0.012
    8    HB2  CYS   2           HB2      CYS   2  -1.655   8.033   1.210
    9    HB3  CYS   2           HB1      CYS   2  -1.253   6.560   2.078
   10    H    CYS   3           HN       CYS   3  -0.690   4.064   0.270
   11    HA   CYS   3           HA       CYS   3  -3.524   3.492  -0.229
   12    HB2  CYS   3           HB2      CYS   3  -1.181   1.629  -0.096
   13    HB3  CYS   3           HB1      CYS   3  -2.779   1.246  -0.722
   14    H    SER   4           HN       SER   4  -4.599   3.113   1.729
   15    HA   SER   4           HA       SER   4  -3.052   2.199   3.994
   16    HB2  SER   4           HB2      SER   4  -5.408   2.464   5.093
   17    HB3  SER   4           HB1      SER   4  -4.507   3.912   4.639
   18    HG   SER   4           HG       SER   4  -5.971   4.391   3.297
   19    H    ARG   5           HN       ARG   5  -4.305   0.891   1.423
   20    HA   ARG   5           HA       ARG   5  -5.178  -1.622   2.621
   21    HB2  ARG   5           HB2      ARG   5  -7.011  -1.639   0.898
   22    HB3  ARG   5           HB1      ARG   5  -7.206  -0.399   2.130
   23    HG2  ARG   5           HG2      ARG   5  -6.251   1.256   0.547
   24    HG3  ARG   5           HG1      ARG   5  -6.187  -0.017  -0.671
   25    HD2  ARG   5           HD2      ARG   5  -8.711   0.810   0.718
   26    HD3  ARG   5           HD1      ARG   5  -8.176   1.542  -0.794
   27    HE   ARG   5           HE       ARG   5  -8.236  -1.239  -1.113
   28   HH11  ARG   5          HH11      ARG   5 -10.580   1.348  -0.519
   29   HH12  ARG   5          HH12      ARG   5 -11.803   0.629  -1.464
   30   HH21  ARG   5          HH21      ARG   5  -9.895  -2.198  -2.381
   31   HH22  ARG   5          HH22      ARG   5 -11.422  -1.454  -2.540
   32    HA   PRO   6           HA       PRO   6  -2.785  -3.632  -0.707
   33    HB2  PRO   6           HB2      PRO   6  -5.403  -4.742  -1.656
   34    HB3  PRO   6           HB1      PRO   6  -3.881  -5.587  -1.351
   35    HG2  PRO   6           HG2      PRO   6  -5.873  -5.785   0.368
   36    HG3  PRO   6           HG1      PRO   6  -4.206  -5.611   0.944
   37    HD2  PRO   6           HD2      PRO   6  -6.404  -3.608   0.874
   38    HD3  PRO   6           HD1      PRO   6  -5.110  -3.828   2.064
   39    HA   PRO   7           HA       PRO   7  -2.394  -4.713  -2.615
   40    HB2  PRO   7           HB2      PRO   7  -1.337  -4.738  -5.039
   41    HB3  PRO   7           HB1      PRO   7  -3.056  -5.071  -4.738
   42    HG2  PRO   7           HG2      PRO   7  -1.812  -2.651  -5.934
   43    HG3  PRO   7           HG1      PRO   7  -3.402  -3.364  -6.237
   44    HD2  PRO   7           HD2      PRO   7  -2.717  -1.225  -4.429
   45    HD3  PRO   7           HD1      PRO   7  -4.321  -1.913  -4.753
   46    H    CYS   8           HN       CYS   8  -1.689  -2.008  -1.907
   47    HA   CYS   8           HA       CYS   8   1.187  -1.782  -2.542
   48    HB2  CYS   8           HB2      CYS   8  -0.451  -0.011  -0.753
   49    HB3  CYS   8           HB1      CYS   8   1.082   0.394  -1.519
   50    H    ILE   9           HN       ILE   9  -0.015  -3.903  -0.739
   51    HA   ILE   9           HA       ILE   9   0.584  -3.120   1.959
   52    HB   ILE   9           HB       ILE   9   0.079  -5.508   2.517
   53   HG12  ILE   9          HG12      ILE   9  -0.927  -5.550  -0.339
   54   HG13  ILE   9          HG11      ILE   9   0.447  -6.456   0.275
   55   HG21  ILE   9          HG21      ILE   9  -2.023  -3.775   1.210
   56   HG22  ILE   9          HG22      ILE   9  -1.500  -3.703   2.889
   57   HG23  ILE   9          HG23      ILE   9  -2.370  -5.118   2.295
   58   HD11  ILE   9          HD11      ILE   9  -1.048  -7.726   1.731
   59   HD12  ILE   9          HD12      ILE   9  -1.529  -7.862   0.040
   60   HD13  ILE   9          HD13      ILE   9  -2.422  -6.801   1.128
   61    H    ALA  10           HN       ALA  10   2.398  -4.604  -0.445
   62    HA   ALA  10           HA       ALA  10   4.266  -5.827   1.408
   63    HB1  ALA  10           HB1      ALA  10   4.499  -5.406  -1.582
   64    HB2  ALA  10           HB2      ALA  10   3.864  -6.853  -0.800
   65    HB3  ALA  10           HB3      ALA  10   5.556  -6.411  -0.593
   66    H    ASN  11           HN       ASN  11   6.675  -5.013  -0.033
   67    HA   ASN  11           HA       ASN  11   7.190  -2.574   1.350
   68    HB2  ASN  11           HB2      ASN  11   8.901  -4.087  -0.634
   69    HB3  ASN  11           HB1      ASN  11   9.438  -2.658   0.241
   70   HD21  ASN  11          HD21      ASN  11   9.869  -2.818   2.431
   71   HD22  ASN  11          HD22      ASN  11  10.007  -4.354   3.216
   72    H    ASN  12           HN       ASN  12   5.739  -1.166   0.543
   73    HA   ASN  12           HA       ASN  12   6.507   0.083  -1.977
   74    HB2  ASN  12           HB2      ASN  12   4.391  -1.291  -2.284
   75    HB3  ASN  12           HB1      ASN  12   3.642  -0.308  -1.041
   76   HD21  ASN  12          HD21      ASN  12   2.904  -0.667  -3.874
   77   HD22  ASN  12          HD22      ASN  12   2.898   0.906  -4.547
   78    HA   PRO  13           HA       PRO  13   6.909   3.390   1.074
   79    HB2  PRO  13           HB2      PRO  13   6.825   5.040  -1.393
   80    HB3  PRO  13           HB1      PRO  13   8.000   5.049  -0.076
   81    HG2  PRO  13           HG2      PRO  13   8.592   3.962  -2.414
   82    HG3  PRO  13           HG1      PRO  13   9.139   3.219  -0.898
   83    HD2  PRO  13           HD2      PRO  13   6.933   2.388  -2.737
   84    HD3  PRO  13           HD1      PRO  13   8.063   1.396  -1.788
   85    H    ASP  14           HN       ASP  14   4.475   3.135  -1.381
   86    HA   ASP  14           HA       ASP  14   2.961   5.372  -0.440
   87    HB2  ASP  14           HB2      ASP  14   2.243   3.193  -2.387
   88    HB3  ASP  14           HB1      ASP  14   1.116   4.450  -1.900
   89    H    LEU  15           HN       LEU  15   3.369   2.294   0.740
   90    HA   LEU  15           HA       LEU  15   0.696   1.975   1.724
   91    HB2  LEU  15           HB2      LEU  15   2.221   0.044   1.490
   92    HB3  LEU  15           HB1      LEU  15   3.256   0.721   2.728
   93    HG   LEU  15           HG       LEU  15   1.399   0.478   4.363
   94   HD11  LEU  15          HD11      LEU  15  -0.495  -0.964   3.792
   95   HD12  LEU  15          HD12      LEU  15   0.016  -0.951   2.103
   96   HD13  LEU  15          HD13      LEU  15  -0.497   0.545   2.883
   97   HD21  LEU  15          HD21      LEU  15   1.573  -1.958   4.570
   98   HD22  LEU  15          HD22      LEU  15   3.130  -1.212   4.215
   99   HD23  LEU  15          HD23      LEU  15   2.241  -2.043   2.940
  100    H    CYS  16           HN       CYS  16  -0.082   3.492   2.971
  101    HA   CYS  16           HA       CYS  16   1.542   4.455   5.214
  102    HB2  CYS  16           HB2      CYS  16  -0.557   6.075   3.750
  103    HB3  CYS  16           HB1      CYS  16   0.543   6.636   4.986
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -0.393   6.523  -4.494
    2    H2   GLY   1           HT2      GLY   1   1.008   7.165  -3.818
    3    H3   GLY   1           HT3      GLY   1   0.154   8.061  -4.977
    4    HA2  GLY   1           HA1      GLY   1  -0.214   8.899  -2.739
    5    HA3  GLY   1           HA2      GLY   1  -1.701   8.240  -3.416
    6    H    CYS   2           HN       CYS   2  -1.013   8.512  -0.604
    7    HA   CYS   2           HA       CYS   2  -0.040   6.201   0.534
    8    HB2  CYS   2           HB2      CYS   2  -1.966   8.227   1.547
    9    HB3  CYS   2           HB1      CYS   2  -1.465   6.876   2.542
   10    H    CYS   3           HN       CYS   3  -0.634   4.324   0.472
   11    HA   CYS   3           HA       CYS   3  -3.382   3.573  -0.152
   12    HB2  CYS   3           HB2      CYS   3  -0.932   1.864   0.159
   13    HB3  CYS   3           HB1      CYS   3  -2.504   1.317  -0.393
   14    H    SER   4           HN       SER   4  -4.714   3.168   1.526
   15    HA   SER   4           HA       SER   4  -3.710   2.015   3.978
   16    HB2  SER   4           HB2      SER   4  -6.237   2.138   4.509
   17    HB3  SER   4           HB1      SER   4  -5.367   3.664   4.357
   18    HG   SER   4           HG       SER   4  -6.472   4.139   2.677
   19    H    ARG   5           HN       ARG   5  -4.533   1.034   0.973
   20    HA   ARG   5           HA       ARG   5  -5.476  -1.578   1.848
   21    HB2  ARG   5           HB2      ARG   5  -6.800  -1.480  -0.444
   22    HB3  ARG   5           HB1      ARG   5  -7.488  -0.877   1.050
   23    HG2  ARG   5           HG2      ARG   5  -7.951   0.646  -0.795
   24    HG3  ARG   5           HG1      ARG   5  -6.915   1.412   0.395
   25    HD2  ARG   5           HD2      ARG   5  -6.168   2.011  -1.807
   26    HD3  ARG   5           HD1      ARG   5  -4.971   0.956  -1.075
   27    HE   ARG   5           HE       ARG   5  -6.485  -0.756  -2.490
   28   HH11  ARG   5          HH11      ARG   5  -4.890   2.304  -3.404
   29   HH12  ARG   5          HH12      ARG   5  -4.617   1.855  -5.007
   30   HH21  ARG   5          HH21      ARG   5  -6.067  -1.374  -4.710
   31   HH22  ARG   5          HH22      ARG   5  -5.309  -0.274  -5.771
   32    HA   PRO   6           HA       PRO   6  -2.554  -3.683  -0.834
   33    HB2  PRO   6           HB2      PRO   6  -4.842  -5.180  -1.999
   34    HB3  PRO   6           HB1      PRO   6  -3.394  -5.795  -1.199
   35    HG2  PRO   6           HG2      PRO   6  -5.735  -5.877   0.028
   36    HG3  PRO   6           HG1      PRO   6  -4.254  -5.474   0.912
   37    HD2  PRO   6           HD2      PRO   6  -6.417  -3.663  -0.071
   38    HD3  PRO   6           HD1      PRO   6  -5.528  -3.632   1.467
   39    HA   PRO   7           HA       PRO   7  -1.779  -4.994  -2.485
   40    HB2  PRO   7           HB2      PRO   7  -0.214  -5.101  -4.594
   41    HB3  PRO   7           HB1      PRO   7  -1.932  -5.563  -4.659
   42    HG2  PRO   7           HG2      PRO   7  -0.637  -3.060  -5.648
   43    HG3  PRO   7           HG1      PRO   7  -1.919  -4.023  -6.402
   44    HD2  PRO   7           HD2      PRO   7  -2.253  -1.732  -4.768
   45    HD3  PRO   7           HD1      PRO   7  -3.527  -2.841  -5.304
   46    H    CYS   8           HN       CYS   8  -1.538  -2.216  -1.828
   47    HA   CYS   8           HA       CYS   8   1.312  -1.613  -2.006
   48    HB2  CYS   8           HB2      CYS   8  -0.795  -0.132  -0.451
   49    HB3  CYS   8           HB1      CYS   8   0.799   0.464  -0.894
   50    H    ILE   9           HN       ILE   9  -0.236  -3.793  -0.156
   51    HA   ILE   9           HA       ILE   9   0.467  -2.971   2.507
   52    HB   ILE   9           HB       ILE   9  -0.399  -5.704   1.479
   53   HG12  ILE   9          HG12      ILE   9  -2.116  -4.024   1.104
   54   HG13  ILE   9          HG11      ILE   9  -2.607  -5.132   2.377
   55   HG21  ILE   9          HG21      ILE   9  -0.957  -6.269   3.779
   56   HG22  ILE   9          HG22      ILE   9  -0.319  -4.722   4.320
   57   HG23  ILE   9          HG23      ILE   9   0.766  -5.920   3.608
   58   HD11  ILE   9          HD11      ILE   9  -2.017  -3.447   4.052
   59   HD12  ILE   9          HD12      ILE   9  -3.217  -2.847   2.907
   60   HD13  ILE   9          HD13      ILE   9  -1.538  -2.338   2.765
   61    H    ALA  10           HN       ALA  10   1.960  -4.692  -0.016
   62    HA   ALA  10           HA       ALA  10   4.035  -5.966   1.504
   63    HB1  ALA  10           HB1      ALA  10   3.242  -6.846  -0.639
   64    HB2  ALA  10           HB2      ALA  10   4.965  -6.485  -0.711
   65    HB3  ALA  10           HB3      ALA  10   3.801  -5.386  -1.449
   66    H    ASN  11           HN       ASN  11   6.277  -5.247  -0.219
   67    HA   ASN  11           HA       ASN  11   7.159  -2.869   1.098
   68    HB2  ASN  11           HB2      ASN  11   8.467  -4.412  -1.177
   69    HB3  ASN  11           HB1      ASN  11   9.199  -3.051  -0.354
   70   HD21  ASN  11          HD21      ASN  11  10.950  -4.344   0.263
   71   HD22  ASN  11          HD22      ASN  11  10.814  -5.509   1.521
   72    H    ASN  12           HN       ASN  12   5.729  -1.347   0.526
   73    HA   ASN  12           HA       ASN  12   6.061  -0.285  -2.170
   74    HB2  ASN  12           HB2      ASN  12   3.911  -1.394  -2.118
   75    HB3  ASN  12           HB1      ASN  12   3.477  -0.568  -0.629
   76   HD21  ASN  12          HD21      ASN  12   3.938  -0.219  -4.066
   77   HD22  ASN  12          HD22      ASN  12   3.110   1.281  -4.188
   78    HA   PRO  13           HA       PRO  13   7.245   3.284   0.268
   79    HB2  PRO  13           HB2      PRO  13   6.816   4.852  -2.183
   80    HB3  PRO  13           HB1      PRO  13   8.300   4.600  -1.262
   81    HG2  PRO  13           HG2      PRO  13   7.929   3.474  -3.663
   82    HG3  PRO  13           HG1      PRO  13   8.810   2.650  -2.368
   83    HD2  PRO  13           HD2      PRO  13   6.003   2.231  -3.315
   84    HD3  PRO  13           HD1      PRO  13   7.243   1.047  -2.835
   85    H    ASP  14           HN       ASP  14   4.297   3.160  -1.539
   86    HA   ASP  14           HA       ASP  14   3.292   5.643  -0.381
   87    HB2  ASP  14           HB2      ASP  14   2.181   3.811  -2.495
   88    HB3  ASP  14           HB1      ASP  14   1.255   5.137  -1.804
   89    H    LEU  15           HN       LEU  15   3.485   2.561   0.568
   90    HA   LEU  15           HA       LEU  15   0.935   2.262   1.766
   91    HB2  LEU  15           HB2      LEU  15   2.442   0.367   1.458
   92    HB3  LEU  15           HB1      LEU  15   3.612   1.104   2.534
   93    HG   LEU  15           HG       LEU  15   1.993   0.888   4.392
   94   HD11  LEU  15          HD11      LEU  15  -0.080   0.884   3.143
   95   HD12  LEU  15          HD12      LEU  15   0.051  -0.578   4.125
   96   HD13  LEU  15          HD13      LEU  15   0.357  -0.649   2.391
   97   HD21  LEU  15          HD21      LEU  15   2.260  -1.493   4.683
   98   HD22  LEU  15          HD22      LEU  15   3.726  -0.786   3.996
   99   HD23  LEU  15          HD23      LEU  15   2.611  -1.687   2.967
  100    H    CYS  16           HN       CYS  16   0.213   3.784   3.084
  101    HA   CYS  16           HA       CYS  16   2.096   4.861   5.056
  102    HB2  CYS  16           HB2      CYS  16  -0.442   6.119   3.988
  103    HB3  CYS  16           HB1      CYS  16   0.606   6.844   5.198
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -0.028   6.618  -4.554
    2    H2   GLY   1           HT2      GLY   1   1.411   7.046  -3.816
    3    H3   GLY   1           HT3      GLY   1   0.708   8.079  -4.983
    4    HA2  GLY   1           HA1      GLY   1   0.324   8.911  -2.739
    5    HA3  GLY   1           HA2      GLY   1  -1.184   8.415  -3.511
    6    H    CYS   2           HN       CYS   2  -0.902   8.537  -0.729
    7    HA   CYS   2           HA       CYS   2  -0.050   6.194   0.457
    8    HB2  CYS   2           HB2      CYS   2  -2.006   8.262   1.300
    9    HB3  CYS   2           HB1      CYS   2  -1.671   6.880   2.317
   10    H    CYS   3           HN       CYS   3  -0.678   4.314   0.403
   11    HA   CYS   3           HA       CYS   3  -3.399   3.606  -0.394
   12    HB2  CYS   3           HB2      CYS   3  -0.973   1.885   0.018
   13    HB3  CYS   3           HB1      CYS   3  -2.515   1.337  -0.621
   14    H    SER   4           HN       SER   4  -4.765   3.136   1.245
   15    HA   SER   4           HA       SER   4  -3.761   2.384   3.836
   16    HB2  SER   4           HB2      SER   4  -6.289   2.548   4.298
   17    HB3  SER   4           HB1      SER   4  -5.417   4.036   3.911
   18    HG   SER   4           HG       SER   4  -7.465   2.927   2.618
   19    H    ARG   5           HN       ARG   5  -4.481   0.849   1.013
   20    HA   ARG   5           HA       ARG   5  -5.309  -1.627   2.321
   21    HB2  ARG   5           HB2      ARG   5  -7.048  -1.954   0.569
   22    HB3  ARG   5           HB1      ARG   5  -7.365  -0.556   1.582
   23    HG2  ARG   5           HG2      ARG   5  -6.459   0.902  -0.172
   24    HG3  ARG   5           HG1      ARG   5  -6.195  -0.512  -1.191
   25    HD2  ARG   5           HD2      ARG   5  -8.860   0.418  -0.130
   26    HD3  ARG   5           HD1      ARG   5  -8.261   0.692  -1.761
   27    HE   ARG   5           HE       ARG   5  -8.332  -2.078  -0.991
   28   HH11  ARG   5          HH11      ARG   5 -10.249   0.572  -2.367
   29   HH12  ARG   5          HH12      ARG   5 -11.316  -0.449  -3.196
   30   HH21  ARG   5          HH21      ARG   5  -9.802  -3.470  -2.125
   31   HH22  ARG   5          HH22      ARG   5 -11.044  -2.809  -3.083
   32    HA   PRO   6           HA       PRO   6  -2.636  -3.873  -0.584
   33    HB2  PRO   6           HB2      PRO   6  -5.168  -5.135  -1.571
   34    HB3  PRO   6           HB1      PRO   6  -3.639  -5.901  -1.124
   35    HG2  PRO   6           HG2      PRO   6  -5.679  -6.013   0.538
   36    HG3  PRO   6           HG1      PRO   6  -4.046  -5.691   1.151
   37    HD2  PRO   6           HD2      PRO   6  -6.329  -3.826   0.782
   38    HD3  PRO   6           HD1      PRO   6  -5.087  -3.857   2.045
   39    HA   PRO   7           HA       PRO   7  -1.895  -4.988  -2.249
   40    HB2  PRO   7           HB2      PRO   7  -0.550  -5.168  -4.489
   41    HB3  PRO   7           HB1      PRO   7  -2.282  -5.570  -4.413
   42    HG2  PRO   7           HG2      PRO   7  -0.990  -3.111  -5.524
   43    HG3  PRO   7           HG1      PRO   7  -2.358  -4.038  -6.163
   44    HD2  PRO   7           HD2      PRO   7  -2.480  -1.737  -4.498
   45    HD3  PRO   7           HD1      PRO   7  -3.834  -2.790  -4.960
   46    H    CYS   8           HN       CYS   8  -1.601  -2.163  -1.720
   47    HA   CYS   8           HA       CYS   8   1.254  -1.646  -2.147
   48    HB2  CYS   8           HB2      CYS   8  -0.719  -0.015  -0.574
   49    HB3  CYS   8           HB1      CYS   8   0.899   0.500  -1.035
   50    H    ILE   9           HN       ILE   9  -0.298  -3.571  -0.112
   51    HA   ILE   9           HA       ILE   9   0.778  -2.882   2.434
   52    HB   ILE   9           HB       ILE   9   0.177  -5.211   3.081
   53   HG12  ILE   9          HG12      ILE   9  -0.971  -5.386   0.283
   54   HG13  ILE   9          HG11      ILE   9   0.482  -6.218   0.819
   55   HG21  ILE   9          HG21      ILE   9  -1.389  -3.383   3.405
   56   HG22  ILE   9          HG22      ILE   9  -2.267  -4.839   2.938
   57   HG23  ILE   9          HG23      ILE   9  -1.981  -3.565   1.754
   58   HD11  ILE   9          HD11      ILE   9  -0.827  -7.496   2.412
   59   HD12  ILE   9          HD12      ILE   9  -1.474  -7.679   0.779
   60   HD13  ILE   9          HD13      ILE   9  -2.274  -6.613   1.936
   61    H    ALA  10           HN       ALA  10   1.937  -4.576  -0.274
   62    HA   ALA  10           HA       ALA  10   4.095  -5.939   0.983
   63    HB1  ALA  10           HB1      ALA  10   3.189  -6.639  -1.183
   64    HB2  ALA  10           HB2      ALA  10   4.907  -6.276  -1.300
   65    HB3  ALA  10           HB3      ALA  10   3.718  -5.116  -1.899
   66    H    ASN  11           HN       ASN  11   6.360  -5.191  -0.480
   67    HA   ASN  11           HA       ASN  11   7.090  -2.882   1.017
   68    HB2  ASN  11           HB2      ASN  11   8.698  -4.418  -1.047
   69    HB3  ASN  11           HB1      ASN  11   9.336  -3.121  -0.046
   70   HD21  ASN  11          HD21      ASN  11   9.701  -3.497   2.139
   71   HD22  ASN  11          HD22      ASN  11   9.682  -5.073   2.821
   72    H    ASN  12           HN       ASN  12   5.760  -1.351   0.300
   73    HA   ASN  12           HA       ASN  12   6.449  -0.066  -2.244
   74    HB2  ASN  12           HB2      ASN  12   4.328  -1.365  -2.481
   75    HB3  ASN  12           HB1      ASN  12   3.664  -0.517  -1.100
   76   HD21  ASN  12          HD21      ASN  12   2.728  -0.735  -3.850
   77   HD22  ASN  12          HD22      ASN  12   2.552   0.879  -4.429
   78    HA   PRO  13           HA       PRO  13   7.092   3.240   0.709
   79    HB2  PRO  13           HB2      PRO  13   7.263   5.314  -1.038
   80    HB3  PRO  13           HB1      PRO  13   8.565   4.142  -0.805
   81    HG2  PRO  13           HG2      PRO  13   6.441   4.215  -2.915
   82    HG3  PRO  13           HG1      PRO  13   8.184   3.952  -3.112
   83    HD2  PRO  13           HD2      PRO  13   6.461   1.913  -3.118
   84    HD3  PRO  13           HD1      PRO  13   8.054   1.752  -2.348
   85    H    ASP  14           HN       ASP  14   4.409   3.029  -1.376
   86    HA   ASP  14           HA       ASP  14   3.108   5.456  -0.460
   87    HB2  ASP  14           HB2      ASP  14   2.138   3.234  -2.248
   88    HB3  ASP  14           HB1      ASP  14   1.181   4.640  -1.817
   89    H    LEU  15           HN       LEU  15   3.552   2.518   0.899
   90    HA   LEU  15           HA       LEU  15   0.921   2.070   1.885
   91    HB2  LEU  15           HB2      LEU  15   2.596   0.270   1.727
   92    HB3  LEU  15           HB1      LEU  15   3.557   1.064   2.955
   93    HG   LEU  15           HG       LEU  15   1.704   0.734   4.571
   94   HD11  LEU  15          HD11      LEU  15  -0.166   0.623   3.071
   95   HD12  LEU  15          HD12      LEU  15  -0.075  -0.880   3.993
   96   HD13  LEU  15          HD13      LEU  15   0.477  -0.831   2.320
   97   HD21  LEU  15          HD21      LEU  15   2.736  -1.766   3.239
   98   HD22  LEU  15          HD22      LEU  15   2.056  -1.670   4.863
   99   HD23  LEU  15          HD23      LEU  15   3.563  -0.834   4.487
  100    H    CYS  16           HN       CYS  16   0.030   3.650   2.999
  101    HA   CYS  16           HA       CYS  16   1.506   4.772   5.275
  102    HB2  CYS  16           HB2      CYS  16  -0.799   5.980   3.750
  103    HB3  CYS  16           HB1      CYS  16   0.062   6.734   5.081
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   1.236   7.210  -3.943
    2    H2   GLY   1           HT2      GLY   1   0.478   8.171  -5.130
    3    H3   GLY   1           HT3      GLY   1  -0.109   6.619  -4.761
    4    HA2  GLY   1           HA1      GLY   1  -0.059   8.906  -2.915
    5    HA3  GLY   1           HA2      GLY   1  -1.491   8.251  -3.714
    6    H    CYS   2           HN       CYS   2  -0.825   8.449  -0.855
    7    HA   CYS   2           HA       CYS   2   0.030   6.019   0.146
    8    HB2  CYS   2           HB2      CYS   2  -1.658   8.161   1.360
    9    HB3  CYS   2           HB1      CYS   2  -1.208   6.715   2.241
   10    H    CYS   3           HN       CYS   3  -0.734   4.178   0.296
   11    HA   CYS   3           HA       CYS   3  -3.578   3.634  -0.242
   12    HB2  CYS   3           HB2      CYS   3  -1.262   1.746  -0.068
   13    HB3  CYS   3           HB1      CYS   3  -2.867   1.368  -0.670
   14    H    SER   4           HN       SER   4  -4.755   3.212   1.607
   15    HA   SER   4           HA       SER   4  -3.372   2.101   3.873
   16    HB2  SER   4           HB2      SER   4  -5.788   2.382   4.849
   17    HB3  SER   4           HB1      SER   4  -4.776   3.806   4.602
   18    HG   SER   4           HG       SER   4  -6.297   4.497   3.404
   19    H    ARG   5           HN       ARG   5  -4.372   0.852   1.153
   20    HA   ARG   5           HA       ARG   5  -5.330  -1.666   2.319
   21    HB2  ARG   5           HB2      ARG   5  -7.028  -1.881   0.567
   22    HB3  ARG   5           HB1      ARG   5  -7.306  -0.403   1.470
   23    HG2  ARG   5           HG2      ARG   5  -6.245   0.878  -0.323
   24    HG3  ARG   5           HG1      ARG   5  -5.973  -0.616  -1.209
   25    HD2  ARG   5           HD2      ARG   5  -8.677   0.431  -0.402
   26    HD3  ARG   5           HD1      ARG   5  -7.961   0.643  -1.995
   27    HE   ARG   5           HE       ARG   5  -7.977  -2.085  -1.407
   28   HH11  ARG   5          HH11      ARG   5 -10.327   0.488  -1.964
   29   HH12  ARG   5          HH12      ARG   5 -11.490  -0.527  -2.676
   30   HH21  ARG   5          HH21      ARG   5  -9.599  -3.489  -2.368
   31   HH22  ARG   5          HH22      ARG   5 -11.074  -2.820  -2.908
   32    HA   PRO   6           HA       PRO   6  -2.634  -3.753  -0.723
   33    HB2  PRO   6           HB2      PRO   6  -5.114  -5.084  -1.731
   34    HB3  PRO   6           HB1      PRO   6  -3.576  -5.804  -1.241
   35    HG2  PRO   6           HG2      PRO   6  -5.693  -5.978   0.337
   36    HG3  PRO   6           HG1      PRO   6  -4.080  -5.685   1.012
   37    HD2  PRO   6           HD2      PRO   6  -6.349  -3.794   0.634
   38    HD3  PRO   6           HD1      PRO   6  -5.143  -3.873   1.932
   39    HA   PRO   7           HA       PRO   7  -2.027  -4.925  -2.481
   40    HB2  PRO   7           HB2      PRO   7  -0.712  -4.999  -4.744
   41    HB3  PRO   7           HB1      PRO   7  -2.450  -5.376  -4.677
   42    HG2  PRO   7           HG2      PRO   7  -1.128  -2.854  -5.604
   43    HG3  PRO   7           HG1      PRO   7  -2.484  -3.729  -6.335
   44    HD2  PRO   7           HD2      PRO   7  -2.656  -1.546  -4.566
   45    HD3  PRO   7           HD1      PRO   7  -3.985  -2.624  -5.033
   46    H    CYS   8           HN       CYS   8  -1.669  -2.138  -1.834
   47    HA   CYS   8           HA       CYS   8   1.173  -1.601  -2.232
   48    HB2  CYS   8           HB2      CYS   8  -0.817  -0.054  -0.606
   49    HB3  CYS   8           HB1      CYS   8   0.757   0.526  -1.148
   50    H    ILE   9           HN       ILE   9  -0.190  -3.770  -0.284
   51    HA   ILE   9           HA       ILE   9   0.720  -2.882   2.316
   52    HB   ILE   9           HB       ILE   9  -0.348  -5.625   1.497
   53   HG12  ILE   9          HG12      ILE   9  -2.008  -3.836   1.160
   54   HG13  ILE   9          HG11      ILE   9  -2.480  -4.935   2.445
   55   HG21  ILE   9          HG21      ILE   9  -0.065  -4.460   4.262
   56   HG22  ILE   9          HG22      ILE   9   0.971  -5.695   3.559
   57   HG23  ILE   9          HG23      ILE   9  -0.731  -6.045   3.852
   58   HD11  ILE   9          HD11      ILE   9  -1.736  -3.270   4.096
   59   HD12  ILE   9          HD12      ILE   9  -2.997  -2.654   3.030
   60   HD13  ILE   9          HD13      ILE   9  -1.321  -2.175   2.776
   61    H    ALA  10           HN       ALA  10   2.025  -4.533  -0.324
   62    HA   ALA  10           HA       ALA  10   4.103  -5.996   1.009
   63    HB1  ALA  10           HB1      ALA  10   3.903  -5.030  -1.852
   64    HB2  ALA  10           HB2      ALA  10   3.322  -6.579  -1.243
   65    HB3  ALA  10           HB3      ALA  10   5.048  -6.232  -1.253
   66    H    ASN  11           HN       ASN  11   6.456  -5.172  -0.369
   67    HA   ASN  11           HA       ASN  11   7.162  -2.850   1.120
   68    HB2  ASN  11           HB2      ASN  11   8.701  -4.365  -1.010
   69    HB3  ASN  11           HB1      ASN  11   9.329  -2.928  -0.227
   70   HD21  ASN  11          HD21      ASN  11  11.063  -4.020   0.637
   71   HD22  ASN  11          HD22      ASN  11  10.917  -5.124   1.937
   72    H    ASN  12           HN       ASN  12   5.748  -1.335   0.490
   73    HA   ASN  12           HA       ASN  12   6.349  -0.040  -2.057
   74    HB2  ASN  12           HB2      ASN  12   4.224  -1.350  -2.267
   75    HB3  ASN  12           HB1      ASN  12   3.575  -0.497  -0.880
   76   HD21  ASN  12          HD21      ASN  12   2.585  -0.685  -3.682
   77   HD22  ASN  12          HD22      ASN  12   2.443   0.947  -4.186
   78    HA   PRO  13           HA       PRO  13   7.003   3.207   0.987
   79    HB2  PRO  13           HB2      PRO  13   7.444   5.229  -0.780
   80    HB3  PRO  13           HB1      PRO  13   8.661   4.006  -0.388
   81    HG2  PRO  13           HG2      PRO  13   6.794   4.150  -2.718
   82    HG3  PRO  13           HG1      PRO  13   8.521   3.745  -2.700
   83    HD2  PRO  13           HD2      PRO  13   6.622   1.858  -2.860
   84    HD3  PRO  13           HD1      PRO  13   8.124   1.585  -1.957
   85    H    ASP  14           HN       ASP  14   4.471   3.090  -1.293
   86    HA   ASP  14           HA       ASP  14   3.205   5.513  -0.326
   87    HB2  ASP  14           HB2      ASP  14   2.426   3.538  -2.467
   88    HB3  ASP  14           HB1      ASP  14   1.320   4.781  -1.902
   89    H    LEU  15           HN       LEU  15   3.502   2.464   0.786
   90    HA   LEU  15           HA       LEU  15   0.851   2.099   1.781
   91    HB2  LEU  15           HB2      LEU  15   2.374   0.217   1.549
   92    HB3  LEU  15           HB1      LEU  15   3.498   0.956   2.666
   93    HG   LEU  15           HG       LEU  15   1.846   0.703   4.476
   94   HD11  LEU  15          HD11      LEU  15   0.227  -0.723   2.379
   95   HD12  LEU  15          HD12      LEU  15  -0.205   0.774   3.211
   96   HD13  LEU  15          HD13      LEU  15  -0.111  -0.742   4.109
   97   HD21  LEU  15          HD21      LEU  15   2.509  -1.824   2.976
   98   HD22  LEU  15          HD22      LEU  15   2.029  -1.731   4.670
   99   HD23  LEU  15          HD23      LEU  15   3.541  -0.992   4.140
  100    H    CYS  16           HN       CYS  16   0.071   3.658   3.042
  101    HA   CYS  16           HA       CYS  16   1.820   4.658   5.164
  102    HB2  CYS  16           HB2      CYS  16  -0.446   6.154   3.842
  103    HB3  CYS  16           HB1      CYS  16   0.656   6.783   5.049
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   1.285   6.730  -4.343
    2    H2   GLY   1           HT2      GLY   1   0.358   7.591  -5.486
    3    H3   GLY   1           HT3      GLY   1  -0.153   6.064  -4.910
    4    HA2  GLY   1           HA1      GLY   1   0.139   8.460  -3.236
    5    HA3  GLY   1           HA2      GLY   1  -1.390   7.820  -3.846
    6    H    CYS   2           HN       CYS   2  -0.792   8.095  -1.142
    7    HA   CYS   2           HA       CYS   2   0.195   5.741  -0.015
    8    HB2  CYS   2           HB2      CYS   2  -1.483   7.949   1.066
    9    HB3  CYS   2           HB1      CYS   2  -1.046   6.560   2.039
   10    H    CYS   3           HN       CYS   3  -0.585   3.897   0.250
   11    HA   CYS   3           HA       CYS   3  -3.460   3.337  -0.085
   12    HB2  CYS   3           HB2      CYS   3  -1.138   1.416   0.058
   13    HB3  CYS   3           HB1      CYS   3  -2.760   1.072  -0.516
   14    H    SER   4           HN       SER   4  -4.486   3.119   1.893
   15    HA   SER   4           HA       SER   4  -3.003   2.209   4.202
   16    HB2  SER   4           HB2      SER   4  -5.288   2.678   5.269
   17    HB3  SER   4           HB1      SER   4  -4.418   4.068   4.614
   18    HG   SER   4           HG       SER   4  -6.792   3.471   4.082
   19    H    ARG   5           HN       ARG   5  -4.100   0.690   1.668
   20    HA   ARG   5           HA       ARG   5  -5.063  -1.699   2.930
   21    HB2  ARG   5           HB2      ARG   5  -7.232  -1.736   1.711
   22    HB3  ARG   5           HB1      ARG   5  -7.159  -0.347   2.772
   23    HG2  ARG   5           HG2      ARG   5  -6.517  -0.153  -0.166
   24    HG3  ARG   5           HG1      ARG   5  -8.158   0.005   0.452
   25    HD2  ARG   5           HD2      ARG   5  -7.619   1.966   1.657
   26    HD3  ARG   5           HD1      ARG   5  -5.891   1.685   1.490
   27    HE   ARG   5           HE       ARG   5  -6.829   1.939  -1.055
   28   HH11  ARG   5          HH11      ARG   5  -6.869   4.038   1.832
   29   HH12  ARG   5          HH12      ARG   5  -6.769   5.469   0.926
   30   HH21  ARG   5          HH21      ARG   5  -6.647   3.929  -2.261
   31   HH22  ARG   5          HH22      ARG   5  -6.623   5.418  -1.413
   32    HA   PRO   6           HA       PRO   6  -3.353  -3.686  -0.804
   33    HB2  PRO   6           HB2      PRO   6  -6.174  -4.581  -1.362
   34    HB3  PRO   6           HB1      PRO   6  -4.685  -5.528  -1.426
   35    HG2  PRO   6           HG2      PRO   6  -6.269  -5.792   0.643
   36    HG3  PRO   6           HG1      PRO   6  -4.520  -5.653   0.899
   37    HD2  PRO   6           HD2      PRO   6  -6.664  -3.628   1.312
   38    HD3  PRO   6           HD1      PRO   6  -5.205  -3.931   2.276
   39    HA   PRO   7           HA       PRO   7  -3.478  -4.753  -2.882
   40    HB2  PRO   7           HB2      PRO   7  -2.592  -4.669  -5.367
   41    HB3  PRO   7           HB1      PRO   7  -4.324  -4.788  -4.991
   42    HG2  PRO   7           HG2      PRO   7  -2.767  -2.410  -5.899
   43    HG3  PRO   7           HG1      PRO   7  -4.409  -2.907  -6.341
   44    HD2  PRO   7           HD2      PRO   7  -3.683  -1.035  -4.338
   45    HD3  PRO   7           HD1      PRO   7  -5.296  -1.719  -4.615
   46    H    CYS   8           HN       CYS   8  -2.378  -2.157  -2.099
   47    HA   CYS   8           HA       CYS   8   0.457  -2.413  -2.794
   48    HB2  CYS   8           HB2      CYS   8  -0.670  -0.517  -0.753
   49    HB3  CYS   8           HB1      CYS   8   0.796  -0.323  -1.700
   50    H    ILE   9           HN       ILE   9   0.585  -4.509  -1.885
   51    HA   ILE   9           HA       ILE   9   0.124  -4.928   0.924
   52    HB   ILE   9           HB       ILE   9   1.418  -6.804  -1.057
   53   HG12  ILE   9          HG12      ILE   9  -0.817  -6.220  -1.852
   54   HG13  ILE   9          HG11      ILE   9  -0.815  -7.868  -1.242
   55   HG21  ILE   9          HG21      ILE   9   0.772  -8.554   0.539
   56   HG22  ILE   9          HG22      ILE   9   0.128  -7.322   1.620
   57   HG23  ILE   9          HG23      ILE   9   1.856  -7.370   1.270
   58   HD11  ILE   9          HD11      ILE   9  -1.875  -5.436   0.183
   59   HD12  ILE   9          HD12      ILE   9  -1.836  -7.074   0.834
   60   HD13  ILE   9          HD13      ILE   9  -2.828  -6.712  -0.579
   61    H    ALA  10           HN       ALA  10   2.808  -4.804  -1.254
   62    HA   ALA  10           HA       ALA  10   4.778  -5.679   0.614
   63    HB1  ALA  10           HB1      ALA  10   6.390  -5.245  -1.145
   64    HB2  ALA  10           HB2      ALA  10   5.172  -4.366  -2.068
   65    HB3  ALA  10           HB3      ALA  10   4.985  -6.097  -1.787
   66    H    ASN  11           HN       ASN  11   6.732  -4.458   1.097
   67    HA   ASN  11           HA       ASN  11   6.017  -1.965   2.261
   68    HB2  ASN  11           HB2      ASN  11   8.607  -3.507   2.268
   69    HB3  ASN  11           HB1      ASN  11   8.475  -1.903   2.984
   70   HD21  ASN  11          HD21      ASN  11   9.003  -4.529   4.205
   71   HD22  ASN  11          HD22      ASN  11   7.797  -4.703   5.423
   72    H    ASN  12           HN       ASN  12   5.509  -0.697   0.765
   73    HA   ASN  12           HA       ASN  12   7.582   0.347  -1.022
   74    HB2  ASN  12           HB2      ASN  12   5.801  -0.810  -2.255
   75    HB3  ASN  12           HB1      ASN  12   4.580   0.099  -1.381
   76   HD21  ASN  12          HD21      ASN  12   7.018   0.234  -3.857
   77   HD22  ASN  12          HD22      ASN  12   6.483   1.724  -4.532
   78    HA   PRO  13           HA       PRO  13   7.145   4.158   1.315
   79    HB2  PRO  13           HB2      PRO  13   7.206   5.448  -1.360
   80    HB3  PRO  13           HB1      PRO  13   8.148   5.816   0.093
   81    HG2  PRO  13           HG2      PRO  13   9.270   4.506  -1.905
   82    HG3  PRO  13           HG1      PRO  13   9.582   4.005  -0.232
   83    HD2  PRO  13           HD2      PRO  13   7.812   2.757  -2.290
   84    HD3  PRO  13           HD1      PRO  13   8.846   1.995  -1.061
   85    H    ASP  14           HN       ASP  14   4.985   3.491  -1.360
   86    HA   ASP  14           HA       ASP  14   3.143   5.593  -0.632
   87    HB2  ASP  14           HB2      ASP  14   2.994   3.372  -2.652
   88    HB3  ASP  14           HB1      ASP  14   1.637   4.437  -2.313
   89    H    LEU  15           HN       LEU  15   3.828   2.682   0.717
   90    HA   LEU  15           HA       LEU  15   1.092   2.121   1.451
   91    HB2  LEU  15           HB2      LEU  15   2.652   0.243   1.126
   92    HB3  LEU  15           HB1      LEU  15   3.706   0.891   2.360
   93    HG   LEU  15           HG       LEU  15   2.002   0.440   4.067
   94   HD11  LEU  15          HD11      LEU  15   0.021  -0.881   3.510
   95   HD12  LEU  15          HD12      LEU  15   0.421  -0.762   1.797
   96   HD13  LEU  15          HD13      LEU  15  -0.001   0.689   2.709
   97   HD21  LEU  15          HD21      LEU  15   2.154  -1.996   4.017
   98   HD22  LEU  15          HD22      LEU  15   3.684  -1.255   3.554
   99   HD23  LEU  15          HD23      LEU  15   2.626  -1.937   2.322
  100    H    CYS  16           HN       CYS  16   0.225   3.521   2.800
  101    HA   CYS  16           HA       CYS  16   1.871   4.495   5.008
  102    HB2  CYS  16           HB2      CYS  16  -0.284   6.116   3.654
  103    HB3  CYS  16           HB1      CYS  16   0.874   6.656   4.843
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   1.063   6.365  -4.181
    2    H2   GLY   1           HT2      GLY   1   2.188   7.518  -3.680
    3    H3   GLY   1           HT3      GLY   1   1.116   7.893  -4.932
    4    HA2  GLY   1           HA1      GLY   1   0.515   8.933  -2.842
    5    HA3  GLY   1           HA2      GLY   1  -0.724   7.823  -3.420
    6    H    CYS   2           HN       CYS   2  -1.519   7.411  -1.389
    7    HA   CYS   2           HA       CYS   2   0.135   5.631   0.209
    8    HB2  CYS   2           HB2      CYS   2  -1.440   7.970   1.159
    9    HB3  CYS   2           HB1      CYS   2  -1.165   6.617   2.231
   10    H    CYS   3           HN       CYS   3  -0.758   3.822   0.456
   11    HA   CYS   3           HA       CYS   3  -3.661   3.506   0.103
   12    HB2  CYS   3           HB2      CYS   3  -1.476   1.469   0.040
   13    HB3  CYS   3           HB1      CYS   3  -3.147   1.215  -0.451
   14    H    SER   4           HN       SER   4  -4.707   3.226   2.068
   15    HA   SER   4           HA       SER   4  -3.374   1.869   4.237
   16    HB2  SER   4           HB2      SER   4  -5.648   2.380   5.319
   17    HB3  SER   4           HB1      SER   4  -4.646   3.770   4.892
   18    HG   SER   4           HG       SER   4  -7.015   3.594   4.259
   19    H    ARG   5           HN       ARG   5  -4.462   0.852   1.502
   20    HA   ARG   5           HA       ARG   5  -5.808  -1.562   2.445
   21    HB2  ARG   5           HB2      ARG   5  -7.473  -1.294   0.570
   22    HB3  ARG   5           HB1      ARG   5  -7.623  -0.079   1.828
   23    HG2  ARG   5           HG2      ARG   5  -6.435   1.523   0.407
   24    HG3  ARG   5           HG1      ARG   5  -6.279   0.288  -0.841
   25    HD2  ARG   5           HD2      ARG   5  -8.905   1.327   0.237
   26    HD3  ARG   5           HD1      ARG   5  -8.135   1.888  -1.244
   27    HE   ARG   5           HE       ARG   5  -8.427  -0.899  -1.389
   28   HH11  ARG   5          HH11      ARG   5 -10.490   1.978  -1.383
   29   HH12  ARG   5          HH12      ARG   5 -11.693   1.258  -2.359
   30   HH21  ARG   5          HH21      ARG   5 -10.063  -1.844  -2.687
   31   HH22  ARG   5          HH22      ARG   5 -11.463  -0.968  -3.110
   32    HA   PRO   6           HA       PRO   6  -3.314  -3.564  -0.736
   33    HB2  PRO   6           HB2      PRO   6  -5.209  -5.047  -2.127
   34    HB3  PRO   6           HB1      PRO   6  -4.444  -5.565  -0.623
   35    HG2  PRO   6           HG2      PRO   6  -7.104  -4.277  -1.054
   36    HG3  PRO   6           HG1      PRO   6  -6.663  -5.601   0.038
   37    HD2  PRO   6           HD2      PRO   6  -7.012  -3.140   0.959
   38    HD3  PRO   6           HD1      PRO   6  -5.724  -4.173   1.593
   39    HA   PRO   7           HA       PRO   7  -2.920  -4.776  -2.608
   40    HB2  PRO   7           HB2      PRO   7  -1.752  -4.936  -4.952
   41    HB3  PRO   7           HB1      PRO   7  -3.506  -5.152  -4.755
   42    HG2  PRO   7           HG2      PRO   7  -2.024  -2.813  -5.861
   43    HG3  PRO   7           HG1      PRO   7  -3.579  -3.496  -6.360
   44    HD2  PRO   7           HD2      PRO   7  -3.136  -1.317  -4.570
   45    HD3  PRO   7           HD1      PRO   7  -4.687  -2.088  -4.963
   46    H    CYS   8           HN       CYS   8  -2.162  -2.064  -1.954
   47    HA   CYS   8           HA       CYS   8   0.711  -1.903  -2.491
   48    HB2  CYS   8           HB2      CYS   8  -0.911  -0.209  -0.620
   49    HB3  CYS   8           HB1      CYS   8   0.609   0.246  -1.390
   50    H    ILE   9           HN       ILE   9   0.386  -4.170  -1.318
   51    HA   ILE   9           HA       ILE   9   0.228  -4.070   1.561
   52    HB   ILE   9           HB       ILE   9   0.450  -6.514   1.475
   53   HG12  ILE   9          HG12      ILE   9   0.417  -6.133  -1.536
   54   HG13  ILE   9          HG11      ILE   9   1.797  -6.690  -0.599
   55   HG21  ILE   9          HG21      ILE   9  -1.738  -5.421   1.429
   56   HG22  ILE   9          HG22      ILE   9  -1.754  -6.888   0.449
   57   HG23  ILE   9          HG23      ILE   9  -1.655  -5.311  -0.332
   58   HD11  ILE   9          HD11      ILE   9   0.545  -8.696   0.033
   59   HD12  ILE   9          HD12      ILE   9   0.672  -8.533  -1.720
   60   HD13  ILE   9          HD13      ILE   9  -0.837  -8.124  -0.902
   61    H    ALA  10           HN       ALA  10   2.712  -4.337  -0.768
   62    HA   ALA  10           HA       ALA  10   4.657  -5.351   1.135
   63    HB1  ALA  10           HB1      ALA  10   5.062  -4.409  -1.703
   64    HB2  ALA  10           HB2      ALA  10   4.739  -6.070  -1.216
   65    HB3  ALA  10           HB3      ALA  10   6.235  -5.282  -0.717
   66    H    ASN  11           HN       ASN  11   6.674  -4.207   1.553
   67    HA   ASN  11           HA       ASN  11   6.208  -1.523   2.322
   68    HB2  ASN  11           HB2      ASN  11   8.638  -3.278   2.455
   69    HB3  ASN  11           HB1      ASN  11   8.775  -1.562   2.808
   70   HD21  ASN  11          HD21      ASN  11   7.752  -0.744   4.642
   71   HD22  ASN  11          HD22      ASN  11   7.209  -1.746   5.922
   72    H    ASN  12           HN       ASN  12   5.733  -0.394   0.736
   73    HA   ASN  12           HA       ASN  12   7.745   0.383  -1.246
   74    HB2  ASN  12           HB2      ASN  12   6.142  -1.197  -2.285
   75    HB3  ASN  12           HB1      ASN  12   4.803  -0.267  -1.637
   76   HD21  ASN  12          HD21      ASN  12   7.247  -0.459  -4.082
   77   HD22  ASN  12          HD22      ASN  12   6.617   0.796  -5.071
   78    HA   PRO  13           HA       PRO  13   6.714   4.526   0.204
   79    HB2  PRO  13           HB2      PRO  13   6.108   5.656  -2.329
   80    HB3  PRO  13           HB1      PRO  13   7.628   5.748  -1.446
   81    HG2  PRO  13           HG2      PRO  13   6.820   3.901  -3.629
   82    HG3  PRO  13           HG1      PRO  13   8.424   4.542  -3.235
   83    HD2  PRO  13           HD2      PRO  13   7.778   2.013  -2.705
   84    HD3  PRO  13           HD1      PRO  13   8.775   2.950  -1.570
   85    H    ASP  14           HN       ASP  14   4.454   2.900  -1.961
   86    HA   ASP  14           HA       ASP  14   2.276   4.681  -1.314
   87    HB2  ASP  14           HB2      ASP  14   2.360   2.095  -2.858
   88    HB3  ASP  14           HB1      ASP  14   0.846   2.900  -2.472
   89    H    LEU  15           HN       LEU  15   3.660   2.138   0.303
   90    HA   LEU  15           HA       LEU  15   1.222   1.395   1.669
   91    HB2  LEU  15           HB2      LEU  15   2.929  -0.319   1.401
   92    HB3  LEU  15           HB1      LEU  15   4.122   0.694   2.183
   93    HG   LEU  15           HG       LEU  15   2.873   0.495   4.310
   94   HD11  LEU  15          HD11      LEU  15   1.135  -1.435   2.794
   95   HD12  LEU  15          HD12      LEU  15   0.643   0.122   3.465
   96   HD13  LEU  15          HD13      LEU  15   1.121  -1.191   4.540
   97   HD21  LEU  15          HD21      LEU  15   3.445  -1.848   4.758
   98   HD22  LEU  15          HD22      LEU  15   4.713  -1.013   3.866
   99   HD23  LEU  15          HD23      LEU  15   3.631  -2.126   3.026
  100    H    CYS  16           HN       CYS  16   0.374   2.899   2.937
  101    HA   CYS  16           HA       CYS  16   2.186   4.240   4.801
  102    HB2  CYS  16           HB2      CYS  16  -0.230   5.447   3.451
  103    HB3  CYS  16           HB1      CYS  16   0.731   6.244   4.689
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   1.736   7.154  -3.815
    2    H2   GLY   1           HT2      GLY   1   2.152   8.584  -3.039
    3    H3   GLY   1           HT3      GLY   1   1.520   8.636  -4.616
    4    HA2  GLY   1           HA1      GLY   1  -0.132   9.248  -2.947
    5    HA3  GLY   1           HA2      GLY   1  -0.559   7.748  -3.771
    6    H    CYS   2           HN       CYS   2  -1.842   7.458  -1.747
    7    HA   CYS   2           HA       CYS   2  -0.212   5.962   0.105
    8    HB2  CYS   2           HB2      CYS   2  -2.102   8.137   0.889
    9    HB3  CYS   2           HB1      CYS   2  -1.681   6.849   1.998
   10    H    CYS   3           HN       CYS   3  -0.903   4.112   0.192
   11    HA   CYS   3           HA       CYS   3  -3.757   3.446  -0.189
   12    HB2  CYS   3           HB2      CYS   3  -1.327   1.695  -0.262
   13    HB3  CYS   3           HB1      CYS   3  -2.959   1.187  -0.675
   14    H    SER   4           HN       SER   4  -4.767   2.915   1.793
   15    HA   SER   4           HA       SER   4  -3.088   2.039   3.967
   16    HB2  SER   4           HB2      SER   4  -5.347   2.111   5.165
   17    HB3  SER   4           HB1      SER   4  -4.709   3.655   4.603
   18    HG   SER   4           HG       SER   4  -7.019   2.655   4.091
   19    H    ARG   5           HN       ARG   5  -4.657   0.752   1.401
   20    HA   ARG   5           HA       ARG   5  -5.154  -1.856   2.659
   21    HB2  ARG   5           HB2      ARG   5  -7.091  -2.083   1.124
   22    HB3  ARG   5           HB1      ARG   5  -7.253  -0.673   2.155
   23    HG2  ARG   5           HG2      ARG   5  -6.536   0.758   0.330
   24    HG3  ARG   5           HG1      ARG   5  -6.325  -0.655  -0.703
   25    HD2  ARG   5           HD2      ARG   5  -8.683  -1.184  -0.459
   26    HD3  ARG   5           HD1      ARG   5  -8.911   0.248   0.549
   27    HE   ARG   5           HE       ARG   5  -7.864   1.277  -1.671
   28   HH11  ARG   5          HH11      ARG   5 -10.514  -1.017  -1.197
   29   HH12  ARG   5          HH12      ARG   5 -11.399  -0.522  -2.556
   30   HH21  ARG   5          HH21      ARG   5  -9.057   1.944  -3.584
   31   HH22  ARG   5          HH22      ARG   5 -10.542   1.203  -3.963
   32    HA   PRO   6           HA       PRO   6  -2.737  -3.836  -0.619
   33    HB2  PRO   6           HB2      PRO   6  -4.667  -5.487  -1.807
   34    HB3  PRO   6           HB1      PRO   6  -3.667  -5.916  -0.416
   35    HG2  PRO   6           HG2      PRO   6  -6.454  -4.834  -0.487
   36    HG3  PRO   6           HG1      PRO   6  -5.775  -6.102   0.550
   37    HD2  PRO   6           HD2      PRO   6  -6.158  -3.698   1.541
   38    HD3  PRO   6           HD1      PRO   6  -4.651  -4.550   1.899
   39    HA   PRO   7           HA       PRO   7  -2.222  -5.006  -2.345
   40    HB2  PRO   7           HB2      PRO   7  -1.107  -5.230  -4.713
   41    HB3  PRO   7           HB1      PRO   7  -2.820  -5.631  -4.450
   42    HG2  PRO   7           HG2      PRO   7  -1.643  -3.211  -5.729
   43    HG3  PRO   7           HG1      PRO   7  -3.098  -4.114  -6.188
   44    HD2  PRO   7           HD2      PRO   7  -2.955  -1.781  -4.564
   45    HD3  PRO   7           HD1      PRO   7  -4.385  -2.796  -4.845
   46    H    CYS   8           HN       CYS   8  -1.831  -2.145  -1.994
   47    HA   CYS   8           HA       CYS   8   1.004  -1.648  -2.608
   48    HB2  CYS   8           HB2      CYS   8  -0.812  -0.017  -0.865
   49    HB3  CYS   8           HB1      CYS   8   0.672   0.543  -1.631
   50    H    ILE   9           HN       ILE   9  -0.348  -3.589  -0.552
   51    HA   ILE   9           HA       ILE   9   0.586  -2.757   1.988
   52    HB   ILE   9           HB       ILE   9   0.038  -5.142   2.663
   53   HG12  ILE   9          HG12      ILE   9  -1.746  -6.217   1.170
   54   HG13  ILE   9          HG11      ILE   9  -1.219  -5.134  -0.101
   55   HG21  ILE   9          HG21      ILE   9  -2.081  -3.256   1.647
   56   HG22  ILE   9          HG22      ILE   9  -1.340  -3.263   3.249
   57   HG23  ILE   9          HG23      ILE   9  -2.389  -4.591   2.753
   58   HD11  ILE   9          HD11      ILE   9   0.988  -6.165  -0.063
   59   HD12  ILE   9          HD12      ILE   9  -0.282  -7.357  -0.356
   60   HD13  ILE   9          HD13      ILE   9   0.466  -7.234   1.236
   61    H    ALA  10           HN       ALA  10   2.082  -4.299  -0.513
   62    HA   ALA  10           HA       ALA  10   4.042  -5.823   0.898
   63    HB1  ALA  10           HB1      ALA  10   3.451  -6.249  -1.443
   64    HB2  ALA  10           HB2      ALA  10   5.178  -5.933  -1.271
   65    HB3  ALA  10           HB3      ALA  10   4.110  -4.678  -1.893
   66    H    ASN  11           HN       ASN  11   6.510  -5.037  -0.037
   67    HA   ASN  11           HA       ASN  11   7.032  -2.665   1.462
   68    HB2  ASN  11           HB2      ASN  11   8.804  -4.446  -0.197
   69    HB3  ASN  11           HB1      ASN  11   9.411  -2.934   0.471
   70   HD21  ASN  11          HD21      ASN  11   9.726  -2.775   2.659
   71   HD22  ASN  11          HD22      ASN  11   9.705  -4.130   3.719
   72    H    ASN  12           HN       ASN  12   5.772  -1.232   0.559
   73    HA   ASN  12           HA       ASN  12   6.679  -0.013  -1.932
   74    HB2  ASN  12           HB2      ASN  12   4.633  -1.437  -2.252
   75    HB3  ASN  12           HB1      ASN  12   3.817  -0.470  -1.039
   76   HD21  ASN  12          HD21      ASN  12   3.085  -0.924  -3.782
   77   HD22  ASN  12          HD22      ASN  12   3.050   0.629  -4.535
   78    HA   PRO  13           HA       PRO  13   6.706   3.342   1.125
   79    HB2  PRO  13           HB2      PRO  13   7.188   5.379  -0.652
   80    HB3  PRO  13           HB1      PRO  13   8.441   4.336   0.026
   81    HG2  PRO  13           HG2      PRO  13   7.079   4.189  -2.622
   82    HG3  PRO  13           HG1      PRO  13   8.785   3.932  -2.226
   83    HD2  PRO  13           HD2      PRO  13   7.099   1.882  -2.669
   84    HD3  PRO  13           HD1      PRO  13   8.421   1.770  -1.490
   85    H    ASP  14           HN       ASP  14   4.497   2.918  -1.436
   86    HA   ASP  14           HA       ASP  14   2.863   5.245  -0.927
   87    HB2  ASP  14           HB2      ASP  14   2.403   2.757  -2.563
   88    HB3  ASP  14           HB1      ASP  14   1.122   3.921  -2.282
   89    H    LEU  15           HN       LEU  15   3.347   2.383   0.658
   90    HA   LEU  15           HA       LEU  15   0.680   2.125   1.689
   91    HB2  LEU  15           HB2      LEU  15   2.189   0.179   1.509
   92    HB3  LEU  15           HB1      LEU  15   3.291   0.932   2.638
   93    HG   LEU  15           HG       LEU  15   1.580   0.748   4.411
   94   HD11  LEU  15          HD11      LEU  15  -0.013  -0.725   2.317
   95   HD12  LEU  15          HD12      LEU  15  -0.439   0.811   3.073
   96   HD13  LEU  15          HD13      LEU  15  -0.393  -0.664   4.036
   97   HD21  LEU  15          HD21      LEU  15   2.232  -1.827   2.990
   98   HD22  LEU  15          HD22      LEU  15   1.711  -1.682   4.668
   99   HD23  LEU  15          HD23      LEU  15   3.251  -0.989   4.158
  100    H    CYS  16           HN       CYS  16  -0.002   3.781   2.841
  101    HA   CYS  16           HA       CYS  16   1.826   4.964   4.799
  102    HB2  CYS  16           HB2      CYS  16  -0.668   6.178   3.572
  103    HB3  CYS  16           HB1      CYS  16   0.403   6.974   4.712
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   1.351   7.237  -3.869
    2    H2   GLY   1           HT2      GLY   1   0.695   8.304  -5.007
    3    H3   GLY   1           HT3      GLY   1  -0.036   6.800  -4.705
    4    HA2  GLY   1           HA1      GLY   1   0.160   8.999  -2.762
    5    HA3  GLY   1           HA2      GLY   1  -1.297   8.489  -3.620
    6    H    CYS   2           HN       CYS   2  -0.779   8.513  -0.756
    7    HA   CYS   2           HA       CYS   2   0.007   6.091   0.275
    8    HB2  CYS   2           HB2      CYS   2  -1.790   8.209   1.347
    9    HB3  CYS   2           HB1      CYS   2  -1.412   6.773   2.273
   10    H    CYS   3           HN       CYS   3  -0.726   4.228   0.397
   11    HA   CYS   3           HA       CYS   3  -3.541   3.612  -0.189
   12    HB2  CYS   3           HB2      CYS   3  -1.160   1.805  -0.068
   13    HB3  CYS   3           HB1      CYS   3  -2.759   1.365  -0.650
   14    H    SER   4           HN       SER   4  -4.686   3.082   1.681
   15    HA   SER   4           HA       SER   4  -3.245   2.042   3.976
   16    HB2  SER   4           HB2      SER   4  -5.643   2.110   4.934
   17    HB3  SER   4           HB1      SER   4  -4.865   3.655   4.578
   18    HG   SER   4           HG       SER   4  -6.353   4.044   3.239
   19    H    ARG   5           HN       ARG   5  -4.743   1.009   1.243
   20    HA   ARG   5           HA       ARG   5  -5.540  -1.644   2.260
   21    HB2  ARG   5           HB2      ARG   5  -7.040  -1.708   0.287
   22    HB3  ARG   5           HB1      ARG   5  -7.376  -0.315   1.306
   23    HG2  ARG   5           HG2      ARG   5  -6.147   1.119  -0.213
   24    HG3  ARG   5           HG1      ARG   5  -5.725  -0.264  -1.211
   25    HD2  ARG   5           HD2      ARG   5  -7.564   1.014  -2.167
   26    HD3  ARG   5           HD1      ARG   5  -8.076  -0.619  -1.741
   27    HE   ARG   5           HE       ARG   5  -8.650   1.011   0.415
   28   HH11  ARG   5          HH11      ARG   5  -9.607   0.949  -2.986
   29   HH12  ARG   5          HH12      ARG   5 -11.219   1.395  -2.698
   30   HH21  ARG   5          HH21      ARG   5 -10.834   1.669   0.835
   31   HH22  ARG   5          HH22      ARG   5 -11.926   1.852  -0.456
   32    HA   PRO   6           HA       PRO   6  -2.615  -3.632  -0.610
   33    HB2  PRO   6           HB2      PRO   6  -4.338  -5.383  -1.922
   34    HB3  PRO   6           HB1      PRO   6  -3.565  -5.721  -0.372
   35    HG2  PRO   6           HG2      PRO   6  -6.317  -4.694  -0.935
   36    HG3  PRO   6           HG1      PRO   6  -5.792  -5.901   0.254
   37    HD2  PRO   6           HD2      PRO   6  -6.352  -3.427   1.011
   38    HD3  PRO   6           HD1      PRO   6  -4.969  -4.284   1.713
   39    HA   PRO   7           HA       PRO   7  -1.981  -4.864  -2.368
   40    HB2  PRO   7           HB2      PRO   7  -0.600  -4.770  -4.704
   41    HB3  PRO   7           HB1      PRO   7  -2.138  -5.604  -4.417
   42    HG2  PRO   7           HG2      PRO   7  -1.655  -3.281  -6.101
   43    HG3  PRO   7           HG1      PRO   7  -3.130  -4.237  -5.928
   44    HD2  PRO   7           HD2      PRO   7  -2.381  -1.707  -4.607
   45    HD3  PRO   7           HD1      PRO   7  -3.986  -2.422  -4.864
   46    H    CYS   8           HN       CYS   8  -1.642  -2.060  -1.837
   47    HA   CYS   8           HA       CYS   8   1.210  -1.565  -2.261
   48    HB2  CYS   8           HB2      CYS   8  -0.744   0.022  -0.619
   49    HB3  CYS   8           HB1      CYS   8   0.852   0.576  -1.127
   50    H    ILE   9           HN       ILE   9  -0.392  -3.514  -0.247
   51    HA   ILE   9           HA       ILE   9   0.757  -2.903   2.278
   52    HB   ILE   9           HB       ILE   9   0.095  -5.194   2.928
   53   HG12  ILE   9          HG12      ILE   9  -1.130  -5.278   0.159
   54   HG13  ILE   9          HG11      ILE   9   0.190  -6.279   0.756
   55   HG21  ILE   9          HG21      ILE   9  -2.346  -4.672   2.917
   56   HG22  ILE   9          HG22      ILE   9  -2.032  -3.390   1.749
   57   HG23  ILE   9          HG23      ILE   9  -1.349  -3.291   3.372
   58   HD11  ILE   9          HD11      ILE   9  -2.646  -6.312   1.758
   59   HD12  ILE   9          HD12      ILE   9  -1.332  -7.320   2.360
   60   HD13  ILE   9          HD13      ILE   9  -1.905  -7.513   0.702
   61    H    ALA  10           HN       ALA  10   1.922  -4.468  -0.426
   62    HA   ALA  10           HA       ALA  10   4.049  -5.979   0.697
   63    HB1  ALA  10           HB1      ALA  10   3.368  -6.224  -1.654
   64    HB2  ALA  10           HB2      ALA  10   5.078  -5.808  -1.544
   65    HB3  ALA  10           HB3      ALA  10   3.898  -4.574  -1.984
   66    H    ASN  11           HN       ASN  11   6.494  -5.006  -0.124
   67    HA   ASN  11           HA       ASN  11   6.712  -2.670   1.550
   68    HB2  ASN  11           HB2      ASN  11   8.928  -4.086   0.017
   69    HB3  ASN  11           HB1      ASN  11   9.163  -2.770   1.154
   70   HD21  ASN  11          HD21      ASN  11   8.820  -3.166   3.369
   71   HD22  ASN  11          HD22      ASN  11   8.831  -4.757   4.010
   72    H    ASN  12           HN       ASN  12   5.471  -1.359   0.440
   73    HA   ASN  12           HA       ASN  12   6.573  -0.170  -2.007
   74    HB2  ASN  12           HB2      ASN  12   4.485  -1.447  -2.400
   75    HB3  ASN  12           HB1      ASN  12   3.684  -0.544  -1.133
   76   HD21  ASN  12          HD21      ASN  12   3.074  -0.920  -3.975
   77   HD22  ASN  12          HD22      ASN  12   2.924   0.675  -4.626
   78    HA   PRO  13           HA       PRO  13   7.003   3.354   0.719
   79    HB2  PRO  13           HB2      PRO  13   7.093   5.292  -1.205
   80    HB3  PRO  13           HB1      PRO  13   8.467   4.268  -0.769
   81    HG2  PRO  13           HG2      PRO  13   6.527   3.960  -3.034
   82    HG3  PRO  13           HG1      PRO  13   8.292   3.796  -3.053
   83    HD2  PRO  13           HD2      PRO  13   6.726   1.658  -2.993
   84    HD3  PRO  13           HD1      PRO  13   8.225   1.696  -2.040
   85    H    ASP  14           HN       ASP  14   4.426   3.042  -1.582
   86    HA   ASP  14           HA       ASP  14   2.985   5.352  -0.639
   87    HB2  ASP  14           HB2      ASP  14   2.211   3.146  -2.544
   88    HB3  ASP  14           HB1      ASP  14   1.070   4.372  -2.013
   89    H    LEU  15           HN       LEU  15   3.507   2.388   0.685
   90    HA   LEU  15           HA       LEU  15   0.883   1.976   1.745
   91    HB2  LEU  15           HB2      LEU  15   2.447   0.106   1.549
   92    HB3  LEU  15           HB1      LEU  15   3.539   0.889   2.672
   93    HG   LEU  15           HG       LEU  15   1.845   0.667   4.456
   94   HD11  LEU  15          HD11      LEU  15   0.277  -0.851   2.380
   95   HD12  LEU  15          HD12      LEU  15  -0.185   0.660   3.167
   96   HD13  LEU  15          HD13      LEU  15  -0.080  -0.827   4.106
   97   HD21  LEU  15          HD21      LEU  15   2.573  -1.911   3.072
   98   HD22  LEU  15          HD22      LEU  15   2.063  -1.756   4.753
   99   HD23  LEU  15          HD23      LEU  15   3.574  -1.021   4.218
  100    H    CYS  16           HN       CYS  16   0.074   3.524   2.937
  101    HA   CYS  16           HA       CYS  16   1.700   4.558   5.131
  102    HB2  CYS  16           HB2      CYS  16  -0.609   5.920   3.734
  103    HB3  CYS  16           HB1      CYS  16   0.355   6.608   5.028
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   1.572   8.649  -4.303
    2    H2   GLY   1           HT2      GLY   1   1.652   7.093  -3.611
    3    H3   GLY   1           HT3      GLY   1   2.303   8.405  -2.790
    4    HA2  GLY   1           HA1      GLY   1   0.126   9.334  -2.481
    5    HA3  GLY   1           HA2      GLY   1  -0.545   7.972  -3.376
    6    H    CYS   2           HN       CYS   2  -1.723   7.719  -1.313
    7    HA   CYS   2           HA       CYS   2  -0.161   6.004   0.427
    8    HB2  CYS   2           HB2      CYS   2  -1.985   8.203   1.191
    9    HB3  CYS   2           HB1      CYS   2  -1.734   6.876   2.300
   10    H    CYS   3           HN       CYS   3  -0.860   4.163   0.313
   11    HA   CYS   3           HA       CYS   3  -3.647   3.555  -0.333
   12    HB2  CYS   3           HB2      CYS   3  -1.251   1.770  -0.088
   13    HB3  CYS   3           HB1      CYS   3  -2.833   1.255  -0.661
   14    H    SER   4           HN       SER   4  -4.946   3.070   1.388
   15    HA   SER   4           HA       SER   4  -3.767   2.194   3.884
   16    HB2  SER   4           HB2      SER   4  -6.279   2.337   4.543
   17    HB3  SER   4           HB1      SER   4  -5.418   3.842   4.216
   18    HG   SER   4           HG       SER   4  -6.526   4.139   2.465
   19    H    ARG   5           HN       ARG   5  -4.896   0.927   1.077
   20    HA   ARG   5           HA       ARG   5  -5.676  -1.661   2.246
   21    HB2  ARG   5           HB2      ARG   5  -7.133  -1.939   0.261
   22    HB3  ARG   5           HB1      ARG   5  -7.571  -0.506   1.176
   23    HG2  ARG   5           HG2      ARG   5  -6.365   0.884  -0.423
   24    HG3  ARG   5           HG1      ARG   5  -5.912  -0.552  -1.334
   25    HD2  ARG   5           HD2      ARG   5  -8.302  -1.014  -1.732
   26    HD3  ARG   5           HD1      ARG   5  -8.710   0.465  -0.867
   27    HE   ARG   5           HE       ARG   5  -6.966   1.276  -2.773
   28   HH11  ARG   5          HH11      ARG   5 -10.081  -0.415  -2.845
   29   HH12  ARG   5          HH12      ARG   5 -10.456   0.093  -4.442
   30   HH21  ARG   5          HH21      ARG   5  -7.550   2.021  -4.958
   31   HH22  ARG   5          HH22      ARG   5  -9.024   1.491  -5.621
   32    HA   PRO   6           HA       PRO   6  -2.532  -3.614  -0.389
   33    HB2  PRO   6           HB2      PRO   6  -4.086  -5.546  -1.669
   34    HB3  PRO   6           HB1      PRO   6  -3.347  -5.753  -0.080
   35    HG2  PRO   6           HG2      PRO   6  -6.135  -4.958  -0.786
   36    HG3  PRO   6           HG1      PRO   6  -5.570  -6.052   0.490
   37    HD2  PRO   6           HD2      PRO   6  -6.335  -3.585   1.087
   38    HD3  PRO   6           HD1      PRO   6  -4.917  -4.306   1.870
   39    HA   PRO   7           HA       PRO   7  -1.858  -4.965  -2.061
   40    HB2  PRO   7           HB2      PRO   7  -0.642  -5.357  -4.323
   41    HB3  PRO   7           HB1      PRO   7  -2.384  -5.666  -4.169
   42    HG2  PRO   7           HG2      PRO   7  -1.025  -3.315  -5.427
   43    HG3  PRO   7           HG1      PRO   7  -2.413  -4.241  -6.022
   44    HD2  PRO   7           HD2      PRO   7  -2.499  -1.863  -4.491
   45    HD3  PRO   7           HD1      PRO   7  -3.865  -2.944  -4.834
   46    H    CYS   8           HN       CYS   8  -1.534  -2.116  -1.757
   47    HA   CYS   8           HA       CYS   8   1.291  -1.542  -2.298
   48    HB2  CYS   8           HB2      CYS   8  -0.659   0.054  -0.670
   49    HB3  CYS   8           HB1      CYS   8   0.876   0.639  -1.302
   50    H    ILE   9           HN       ILE   9  -0.258  -3.332  -0.056
   51    HA   ILE   9           HA       ILE   9   0.905  -2.433   2.390
   52    HB   ILE   9           HB       ILE   9   0.205  -4.626   3.286
   53   HG12  ILE   9          HG12      ILE   9  -0.972  -5.001   0.525
   54   HG13  ILE   9          HG11      ILE   9   0.333  -5.942   1.237
   55   HG21  ILE   9          HG21      ILE   9  -2.232  -4.094   3.186
   56   HG22  ILE   9          HG22      ILE   9  -1.900  -2.968   1.869
   57   HG23  ILE   9          HG23      ILE   9  -1.238  -2.665   3.474
   58   HD11  ILE   9          HD11      ILE   9  -1.210  -6.794   2.916
   59   HD12  ILE   9          HD12      ILE   9  -1.764  -7.151   1.280
   60   HD13  ILE   9          HD13      ILE   9  -2.513  -5.846   2.202
   61    H    ALA  10           HN       ALA  10   2.031  -4.274  -0.120
   62    HA   ALA  10           HA       ALA  10   4.057  -5.766   1.239
   63    HB1  ALA  10           HB1      ALA  10   4.942  -6.166  -1.029
   64    HB2  ALA  10           HB2      ALA  10   3.847  -4.941  -1.667
   65    HB3  ALA  10           HB3      ALA  10   3.198  -6.424  -0.972
   66    H    ASN  11           HN       ASN  11   6.382  -5.108  -0.240
   67    HA   ASN  11           HA       ASN  11   7.146  -2.722   1.130
   68    HB2  ASN  11           HB2      ASN  11   8.759  -4.525  -0.694
   69    HB3  ASN  11           HB1      ASN  11   9.420  -3.112   0.121
   70   HD21  ASN  11          HD21      ASN  11  10.043  -5.981   0.408
   71   HD22  ASN  11          HD22      ASN  11   9.838  -6.337   2.080
   72    H    ASN  12           HN       ASN  12   5.795  -1.307   0.259
   73    HA   ASN  12           HA       ASN  12   6.518  -0.200  -2.344
   74    HB2  ASN  12           HB2      ASN  12   4.481  -1.624  -2.540
   75    HB3  ASN  12           HB1      ASN  12   3.728  -0.709  -1.252
   76   HD21  ASN  12          HD21      ASN  12   2.916  -1.221  -3.989
   77   HD22  ASN  12          HD22      ASN  12   2.653   0.328  -4.707
   78    HA   PRO  13           HA       PRO  13   6.873   3.364   0.396
   79    HB2  PRO  13           HB2      PRO  13   6.794   5.298  -1.557
   80    HB3  PRO  13           HB1      PRO  13   8.243   4.403  -1.103
   81    HG2  PRO  13           HG2      PRO  13   6.369   3.957  -3.382
   82    HG3  PRO  13           HG1      PRO  13   8.137   3.836  -3.346
   83    HD2  PRO  13           HD2      PRO  13   6.549   1.675  -3.306
   84    HD3  PRO  13           HD1      PRO  13   8.081   1.710  -2.412
   85    H    ASP  14           HN       ASP  14   4.255   2.865  -1.784
   86    HA   ASP  14           HA       ASP  14   2.668   5.134  -0.952
   87    HB2  ASP  14           HB2      ASP  14   2.045   2.700  -2.619
   88    HB3  ASP  14           HB1      ASP  14   0.807   3.849  -2.146
   89    H    LEU  15           HN       LEU  15   3.482   2.382   0.629
   90    HA   LEU  15           HA       LEU  15   0.946   1.864   1.795
   91    HB2  LEU  15           HB2      LEU  15   2.599   0.111   1.746
   92    HB3  LEU  15           HB1      LEU  15   3.716   1.086   2.677
   93    HG   LEU  15           HG       LEU  15   2.267   0.947   4.620
   94   HD11  LEU  15          HD11      LEU  15   0.442  -0.649   2.834
   95   HD12  LEU  15          HD12      LEU  15   0.093   0.849   3.693
   96   HD13  LEU  15          HD13      LEU  15   0.342  -0.644   4.593
   97   HD21  LEU  15          HD21      LEU  15   2.523  -1.451   5.096
   98   HD22  LEU  15          HD22      LEU  15   3.961  -0.760   4.349
   99   HD23  LEU  15          HD23      LEU  15   2.856  -1.742   3.389
  100    H    CYS  16           HN       CYS  16  -0.020   3.376   2.878
  101    HA   CYS  16           HA       CYS  16   1.432   4.564   5.119
  102    HB2  CYS  16           HB2      CYS  16  -0.834   5.804   3.558
  103    HB3  CYS  16           HB1      CYS  16  -0.013   6.546   4.923
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   0.728   7.874  -5.256
    2    H2   GLY   1           HT2      GLY   1   0.090   6.364  -4.807
    3    H3   GLY   1           HT3      GLY   1   1.487   6.927  -4.065
    4    HA2  GLY   1           HA1      GLY   1   0.233   8.688  -3.019
    5    HA3  GLY   1           HA2      GLY   1  -1.217   8.049  -3.789
    6    H    CYS   2           HN       CYS   2  -0.872   8.229  -0.991
    7    HA   CYS   2           HA       CYS   2   0.111   5.846   0.100
    8    HB2  CYS   2           HB2      CYS   2  -1.693   7.956   1.150
    9    HB3  CYS   2           HB1      CYS   2  -1.291   6.545   2.099
   10    H    CYS   3           HN       CYS   3  -0.642   3.979   0.072
   11    HA   CYS   3           HA       CYS   3  -3.524   3.487  -0.211
   12    HB2  CYS   3           HB2      CYS   3  -1.197   1.565  -0.237
   13    HB3  CYS   3           HB1      CYS   3  -2.871   1.148  -0.554
   14    H    SER   4           HN       SER   4  -4.555   3.172   1.717
   15    HA   SER   4           HA       SER   4  -3.042   2.268   4.010
   16    HB2  SER   4           HB2      SER   4  -5.369   2.678   5.076
   17    HB3  SER   4           HB1      SER   4  -4.440   4.081   4.536
   18    HG   SER   4           HG       SER   4  -6.781   2.979   3.498
   19    H    ARG   5           HN       ARG   5  -4.268   0.855   1.469
   20    HA   ARG   5           HA       ARG   5  -5.364  -1.508   2.809
   21    HB2  ARG   5           HB2      ARG   5  -7.248  -1.480   1.197
   22    HB3  ARG   5           HB1      ARG   5  -7.251  -0.055   2.231
   23    HG2  ARG   5           HG2      ARG   5  -6.145   1.203   0.430
   24    HG3  ARG   5           HG1      ARG   5  -6.255  -0.218  -0.596
   25    HD2  ARG   5           HD2      ARG   5  -8.695  -0.142  -0.426
   26    HD3  ARG   5           HD1      ARG   5  -8.568   1.294   0.596
   27    HE   ARG   5           HE       ARG   5  -7.127   1.813  -1.673
   28   HH11  ARG   5          HH11      ARG   5 -10.517   1.198  -0.858
   29   HH12  ARG   5          HH12      ARG   5 -11.148   2.059  -2.180
   30   HH21  ARG   5          HH21      ARG   5  -7.988   3.056  -3.478
   31   HH22  ARG   5          HH22      ARG   5  -9.679   3.147  -3.703
   32    HA   PRO   6           HA       PRO   6  -3.256  -3.791  -0.528
   33    HB2  PRO   6           HB2      PRO   6  -5.401  -5.282  -1.527
   34    HB3  PRO   6           HB1      PRO   6  -4.383  -5.771  -0.171
   35    HG2  PRO   6           HG2      PRO   6  -7.050  -4.415  -0.151
   36    HG3  PRO   6           HG1      PRO   6  -6.447  -5.717   0.893
   37    HD2  PRO   6           HD2      PRO   6  -6.541  -3.245   1.809
   38    HD3  PRO   6           HD1      PRO   6  -5.130  -4.266   2.143
   39    HA   PRO   7           HA       PRO   7  -3.167  -5.091  -2.368
   40    HB2  PRO   7           HB2      PRO   7  -2.343  -5.375  -4.852
   41    HB3  PRO   7           HB1      PRO   7  -4.054  -5.554  -4.409
   42    HG2  PRO   7           HG2      PRO   7  -2.715  -3.279  -5.796
   43    HG3  PRO   7           HG1      PRO   7  -4.328  -3.955  -6.056
   44    HD2  PRO   7           HD2      PRO   7  -3.632  -1.720  -4.432
   45    HD3  PRO   7           HD1      PRO   7  -5.225  -2.493  -4.568
   46    H    CYS   8           HN       CYS   8  -2.342  -2.351  -1.966
   47    HA   CYS   8           HA       CYS   8   0.441  -2.153  -2.859
   48    HB2  CYS   8           HB2      CYS   8  -1.028  -0.397  -0.886
   49    HB3  CYS   8           HB1      CYS   8   0.431   0.016  -1.775
   50    H    ILE   9           HN       ILE   9  -0.045  -4.406  -1.315
   51    HA   ILE   9           HA       ILE   9   0.400  -3.960   1.485
   52    HB   ILE   9           HB       ILE   9   0.522  -6.410   1.653
   53   HG12  ILE   9          HG12      ILE   9  -0.085  -6.391  -1.316
   54   HG13  ILE   9          HG11      ILE   9   1.456  -6.852  -0.603
   55   HG21  ILE   9          HG21      ILE   9  -1.620  -5.251   1.893
   56   HG22  ILE   9          HG22      ILE   9  -1.867  -6.795   1.075
   57   HG23  ILE   9          HG23      ILE   9  -1.856  -5.299   0.146
   58   HD11  ILE   9          HD11      ILE   9   0.116  -8.790  -1.240
   59   HD12  ILE   9          HD12      ILE   9  -1.169  -8.251  -0.153
   60   HD13  ILE   9          HD13      ILE   9   0.394  -8.729   0.499
   61    H    ALA  10           HN       ALA  10   2.390  -4.607  -1.212
   62    HA   ALA  10           HA       ALA  10   4.639  -5.644   0.170
   63    HB1  ALA  10           HB1      ALA  10   4.542  -4.170  -2.462
   64    HB2  ALA  10           HB2      ALA  10   4.375  -5.913  -2.248
   65    HB3  ALA  10           HB3      ALA  10   5.902  -5.119  -1.864
   66    H    ASN  11           HN       ASN  11   6.573  -4.600   0.714
   67    HA   ASN  11           HA       ASN  11   6.234  -2.189   2.144
   68    HB2  ASN  11           HB2      ASN  11   8.824  -3.609   1.460
   69    HB3  ASN  11           HB1      ASN  11   8.599  -2.411   2.729
   70   HD21  ASN  11          HD21      ASN  11   7.527  -3.012   4.620
   71   HD22  ASN  11          HD22      ASN  11   7.224  -4.658   5.015
   72    H    ASN  12           HN       ASN  12   5.714  -0.643   0.875
   73    HA   ASN  12           HA       ASN  12   7.666   0.459  -1.029
   74    HB2  ASN  12           HB2      ASN  12   5.901  -0.799  -2.241
   75    HB3  ASN  12           HB1      ASN  12   4.668   0.092  -1.381
   76   HD21  ASN  12          HD21      ASN  12   5.202  -0.285  -4.225
   77   HD22  ASN  12          HD22      ASN  12   5.302   1.302  -4.899
   78    HA   PRO  13           HA       PRO  13   6.987   4.131   1.519
   79    HB2  PRO  13           HB2      PRO  13   7.159   5.568  -1.071
   80    HB3  PRO  13           HB1      PRO  13   8.028   5.863   0.437
   81    HG2  PRO  13           HG2      PRO  13   9.232   4.688  -1.633
   82    HG3  PRO  13           HG1      PRO  13   9.573   4.196   0.034
   83    HD2  PRO  13           HD2      PRO  13   7.979   2.814  -2.061
   84    HD3  PRO  13           HD1      PRO  13   8.953   2.138  -0.741
   85    H    ASP  14           HN       ASP  14   5.069   3.506  -1.358
   86    HA   ASP  14           HA       ASP  14   3.065   5.481  -0.689
   87    HB2  ASP  14           HB2      ASP  14   3.037   3.257  -2.735
   88    HB3  ASP  14           HB1      ASP  14   1.639   4.274  -2.430
   89    H    LEU  15           HN       LEU  15   3.783   2.545   0.615
   90    HA   LEU  15           HA       LEU  15   1.057   1.989   1.401
   91    HB2  LEU  15           HB2      LEU  15   2.554   0.082   1.117
   92    HB3  LEU  15           HB1      LEU  15   3.696   0.769   2.250
   93    HG   LEU  15           HG       LEU  15   2.054   0.457   4.072
   94   HD11  LEU  15          HD11      LEU  15   0.084  -0.947   3.708
   95   HD12  LEU  15          HD12      LEU  15   0.397  -0.929   1.972
   96   HD13  LEU  15          HD13      LEU  15  -0.009   0.568   2.812
   97   HD21  LEU  15          HD21      LEU  15   2.685  -2.033   2.494
   98   HD22  LEU  15          HD22      LEU  15   2.242  -1.976   4.200
   99   HD23  LEU  15          HD23      LEU  15   3.747  -1.235   3.656
  100    H    CYS  16           HN       CYS  16   0.201   3.317   2.775
  101    HA   CYS  16           HA       CYS  16   1.883   4.415   4.894
  102    HB2  CYS  16           HB2      CYS  16  -0.479   5.695   3.535
  103    HB3  CYS  16           HB1      CYS  16   0.445   6.417   4.837
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   0.748   8.152  -5.108
    2    H2   GLY   1           HT2      GLY   1   0.109   6.614  -4.735
    3    H3   GLY   1           HT3      GLY   1   1.453   7.174  -3.900
    4    HA2  GLY   1           HA1      GLY   1   0.105   8.908  -2.931
    5    HA3  GLY   1           HA2      GLY   1  -1.282   8.256  -3.806
    6    H    CYS   2           HN       CYS   2  -0.627   8.465  -0.906
    7    HA   CYS   2           HA       CYS   2   0.076   6.031   0.153
    8    HB2  CYS   2           HB2      CYS   2  -1.548   8.266   1.237
    9    HB3  CYS   2           HB1      CYS   2  -1.238   6.824   2.182
   10    H    CYS   3           HN       CYS   3  -0.726   4.225   0.253
   11    HA   CYS   3           HA       CYS   3  -3.533   3.657  -0.380
   12    HB2  CYS   3           HB2      CYS   3  -1.210   1.781   0.023
   13    HB3  CYS   3           HB1      CYS   3  -2.772   1.370  -0.659
   14    H    SER   4           HN       SER   4  -4.848   3.284   1.394
   15    HA   SER   4           HA       SER   4  -3.632   2.488   3.895
   16    HB2  SER   4           HB2      SER   4  -6.078   2.774   4.672
   17    HB3  SER   4           HB1      SER   4  -5.189   4.220   4.194
   18    HG   SER   4           HG       SER   4  -7.048   2.764   2.588
   19    H    ARG   5           HN       ARG   5  -4.182   0.809   1.322
   20    HA   ARG   5           HA       ARG   5  -5.113  -1.589   2.618
   21    HB2  ARG   5           HB2      ARG   5  -6.956  -1.948   1.000
   22    HB3  ARG   5           HB1      ARG   5  -7.225  -0.509   1.965
   23    HG2  ARG   5           HG2      ARG   5  -6.497   0.892   0.115
   24    HG3  ARG   5           HG1      ARG   5  -6.157  -0.544  -0.851
   25    HD2  ARG   5           HD2      ARG   5  -8.861   0.218   0.244
   26    HD3  ARG   5           HD1      ARG   5  -8.329   0.499  -1.412
   27    HE   ARG   5           HE       ARG   5  -7.972  -2.139  -1.148
   28   HH11  ARG   5          HH11      ARG   5 -10.792  -0.096  -0.424
   29   HH12  ARG   5          HH12      ARG   5 -11.912  -1.341  -0.740
   30   HH21  ARG   5          HH21      ARG   5  -9.558  -3.794  -1.603
   31   HH22  ARG   5          HH22      ARG   5 -11.216  -3.448  -1.438
   32    HA   PRO   6           HA       PRO   6  -2.560  -3.650  -0.546
   33    HB2  PRO   6           HB2      PRO   6  -5.032  -5.096  -1.431
   34    HB3  PRO   6           HB1      PRO   6  -3.453  -5.754  -1.000
   35    HG2  PRO   6           HG2      PRO   6  -5.483  -5.976   0.688
   36    HG3  PRO   6           HG1      PRO   6  -3.856  -5.606   1.278
   37    HD2  PRO   6           HD2      PRO   6  -6.204  -3.818   0.940
   38    HD3  PRO   6           HD1      PRO   6  -4.969  -3.828   2.218
   39    HA   PRO   7           HA       PRO   7  -2.171  -4.972  -2.499
   40    HB2  PRO   7           HB2      PRO   7  -0.949  -4.940  -4.827
   41    HB3  PRO   7           HB1      PRO   7  -2.685  -5.295  -4.713
   42    HG2  PRO   7           HG2      PRO   7  -1.366  -2.730  -5.500
   43    HG3  PRO   7           HG1      PRO   7  -2.724  -3.564  -6.275
   44    HD2  PRO   7           HD2      PRO   7  -2.954  -1.492  -4.426
   45    HD3  PRO   7           HD1      PRO   7  -4.238  -2.645  -4.839
   46    H    CYS   8           HN       CYS   8  -1.697  -2.178  -1.806
   47    HA   CYS   8           HA       CYS   8   1.152  -1.743  -2.312
   48    HB2  CYS   8           HB2      CYS   8  -0.703  -0.119  -0.569
   49    HB3  CYS   8           HB1      CYS   8   0.874   0.387  -1.167
   50    H    ILE   9           HN       ILE   9  -0.253  -3.806  -0.407
   51    HA   ILE   9           HA       ILE   9   0.780  -3.284   2.194
   52    HB   ILE   9           HB       ILE   9   0.298  -5.710   2.602
   53   HG12  ILE   9          HG12      ILE   9  -0.937  -5.549  -0.163
   54   HG13  ILE   9          HG11      ILE   9   0.493  -6.479   0.268
   55   HG21  ILE   9          HG21      ILE   9  -1.252  -3.949   3.232
   56   HG22  ILE   9          HG22      ILE   9  -2.148  -5.347   2.643
   57   HG23  ILE   9          HG23      ILE   9  -1.936  -3.936   1.606
   58   HD11  ILE   9          HD11      ILE   9  -2.287  -6.938   1.336
   59   HD12  ILE   9          HD12      ILE   9  -0.854  -7.895   1.709
   60   HD13  ILE   9          HD13      ILE   9  -1.495  -7.873   0.070
   61    H    ALA  10           HN       ALA  10   2.122  -4.542  -0.597
   62    HA   ALA  10           HA       ALA  10   4.262  -6.063   0.546
   63    HB1  ALA  10           HB1      ALA  10   5.233  -5.958  -1.718
   64    HB2  ALA  10           HB2      ALA  10   4.035  -4.749  -2.173
   65    HB3  ALA  10           HB3      ALA  10   3.524  -6.389  -1.780
   66    H    ASN  11           HN       ASN  11   6.603  -5.009  -0.545
   67    HA   ASN  11           HA       ASN  11   7.006  -2.805   1.253
   68    HB2  ASN  11           HB2      ASN  11   8.994  -4.119  -0.626
   69    HB3  ASN  11           HB1      ASN  11   9.398  -2.847   0.521
   70   HD21  ASN  11          HD21      ASN  11   8.655  -6.185   0.108
   71   HD22  ASN  11          HD22      ASN  11   8.966  -6.665   1.740
   72    H    ASN  12           HN       ASN  12   5.608  -1.417   0.394
   73    HA   ASN  12           HA       ASN  12   6.518   0.052  -1.980
   74    HB2  ASN  12           HB2      ASN  12   4.389  -1.239  -2.324
   75    HB3  ASN  12           HB1      ASN  12   3.675  -0.376  -0.977
   76   HD21  ASN  12          HD21      ASN  12   2.789  -0.538  -3.761
   77   HD22  ASN  12          HD22      ASN  12   2.737   1.086  -4.315
   78    HA   PRO  13           HA       PRO  13   6.947   3.296   1.114
   79    HB2  PRO  13           HB2      PRO  13   7.202   5.394  -0.610
   80    HB3  PRO  13           HB1      PRO  13   8.513   4.260  -0.263
   81    HG2  PRO  13           HG2      PRO  13   6.604   4.286  -2.566
   82    HG3  PRO  13           HG1      PRO  13   8.363   4.057  -2.574
   83    HD2  PRO  13           HD2      PRO  13   6.685   1.987  -2.762
   84    HD3  PRO  13           HD1      PRO  13   8.197   1.854  -1.838
   85    H    ASP  14           HN       ASP  14   4.512   3.165  -1.339
   86    HA   ASP  14           HA       ASP  14   3.046   5.436  -0.389
   87    HB2  ASP  14           HB2      ASP  14   2.401   3.320  -2.435
   88    HB3  ASP  14           HB1      ASP  14   1.250   4.562  -1.964
   89    H    LEU  15           HN       LEU  15   3.463   2.427   0.843
   90    HA   LEU  15           HA       LEU  15   0.771   2.021   1.746
   91    HB2  LEU  15           HB2      LEU  15   2.354   0.138   1.514
   92    HB3  LEU  15           HB1      LEU  15   3.355   0.838   2.770
   93    HG   LEU  15           HG       LEU  15   1.509   0.528   4.386
   94   HD11  LEU  15          HD11      LEU  15  -0.366  -0.920   3.782
   95   HD12  LEU  15          HD12      LEU  15   0.152  -0.880   2.096
   96   HD13  LEU  15          HD13      LEU  15  -0.385   0.600   2.892
   97   HD21  LEU  15          HD21      LEU  15   2.362  -1.960   2.915
   98   HD22  LEU  15          HD22      LEU  15   1.702  -1.906   4.550
   99   HD23  LEU  15          HD23      LEU  15   3.255  -1.149   4.199
  100    H    CYS  16           HN       CYS  16  -0.027   3.592   2.967
  101    HA   CYS  16           HA       CYS  16   1.583   4.548   5.215
  102    HB2  CYS  16           HB2      CYS  16  -0.520   6.129   3.739
  103    HB3  CYS  16           HB1      CYS  16   0.561   6.707   4.986
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   2.358   8.400  -2.791
    2    H2   GLY   1           HT2      GLY   1   1.528   8.814  -4.228
    3    H3   GLY   1           HT3      GLY   1   1.466   7.219  -3.608
    4    HA2  GLY   1           HA1      GLY   1   0.388   9.564  -2.236
    5    HA3  GLY   1           HA2      GLY   1  -0.547   8.399  -3.176
    6    H    CYS   2           HN       CYS   2  -1.721   7.691  -1.369
    7    HA   CYS   2           HA       CYS   2  -0.151   5.961   0.332
    8    HB2  CYS   2           HB2      CYS   2  -2.039   8.075   1.241
    9    HB3  CYS   2           HB1      CYS   2  -1.745   6.669   2.241
   10    H    CYS   3           HN       CYS   3  -0.857   4.081   0.438
   11    HA   CYS   3           HA       CYS   3  -3.647   3.438  -0.264
   12    HB2  CYS   3           HB2      CYS   3  -1.197   1.767  -0.129
   13    HB3  CYS   3           HB1      CYS   3  -2.777   1.162  -0.625
   14    H    SER   4           HN       SER   4  -4.845   2.933   1.529
   15    HA   SER   4           HA       SER   4  -3.531   1.889   3.882
   16    HB2  SER   4           HB2      SER   4  -5.960   1.960   4.719
   17    HB3  SER   4           HB1      SER   4  -5.218   3.512   4.330
   18    HG   SER   4           HG       SER   4  -7.416   2.470   3.344
   19    H    ARG   5           HN       ARG   5  -5.071   0.894   1.093
   20    HA   ARG   5           HA       ARG   5  -5.693  -1.790   2.079
   21    HB2  ARG   5           HB2      ARG   5  -7.261  -1.917   0.177
   22    HB3  ARG   5           HB1      ARG   5  -7.623  -0.560   1.226
   23    HG2  ARG   5           HG2      ARG   5  -6.507   0.941  -0.361
   24    HG3  ARG   5           HG1      ARG   5  -6.206  -0.435  -1.423
   25    HD2  ARG   5           HD2      ARG   5  -8.642  -0.821  -1.563
   26    HD3  ARG   5           HD1      ARG   5  -8.898   0.597  -0.552
   27    HE   ARG   5           HE       ARG   5  -7.370   1.518  -2.573
   28   HH11  ARG   5          HH11      ARG   5 -10.540  -0.048  -2.430
   29   HH12  ARG   5          HH12      ARG   5 -11.080   0.606  -3.904
   30   HH21  ARG   5          HH21      ARG   5  -8.079   2.390  -4.526
   31   HH22  ARG   5          HH22      ARG   5  -9.630   2.055  -5.159
   32    HA   PRO   6           HA       PRO   6  -2.677  -3.735  -0.601
   33    HB2  PRO   6           HB2      PRO   6  -4.867  -5.165  -2.046
   34    HB3  PRO   6           HB1      PRO   6  -3.455  -5.839  -1.226
   35    HG2  PRO   6           HG2      PRO   6  -5.836  -6.043  -0.112
   36    HG3  PRO   6           HG1      PRO   6  -4.429  -5.622   0.882
   37    HD2  PRO   6           HD2      PRO   6  -6.568  -3.850  -0.220
   38    HD3  PRO   6           HD1      PRO   6  -5.863  -3.868   1.411
   39    HA   PRO   7           HA       PRO   7  -1.784  -4.911  -2.211
   40    HB2  PRO   7           HB2      PRO   7  -0.163  -4.998  -4.360
   41    HB3  PRO   7           HB1      PRO   7  -1.816  -5.642  -4.315
   42    HG2  PRO   7           HG2      PRO   7  -0.802  -3.315  -5.789
   43    HG3  PRO   7           HG1      PRO   7  -2.313  -4.204  -6.010
   44    HD2  PRO   7           HD2      PRO   7  -1.810  -1.749  -4.487
   45    HD3  PRO   7           HD1      PRO   7  -3.359  -2.440  -5.006
   46    H    CYS   8           HN       CYS   8  -1.483  -2.093  -1.744
   47    HA   CYS   8           HA       CYS   8   1.371  -1.480  -1.992
   48    HB2  CYS   8           HB2      CYS   8  -0.739   0.056  -0.592
   49    HB3  CYS   8           HB1      CYS   8   0.819   0.696  -1.126
   50    H    ILE   9           HN       ILE   9  -0.207  -3.411   0.159
   51    HA   ILE   9           HA       ILE   9   0.698  -2.186   2.599
   52    HB   ILE   9           HB       ILE   9  -0.453  -4.988   2.226
   53   HG12  ILE   9          HG12      ILE   9  -1.840  -2.414   3.009
   54   HG13  ILE   9          HG11      ILE   9  -1.986  -3.209   1.449
   55   HG21  ILE   9          HG21      ILE   9   0.750  -4.738   4.339
   56   HG22  ILE   9          HG22      ILE   9  -0.989  -4.858   4.616
   57   HG23  ILE   9          HG23      ILE   9  -0.189  -3.291   4.712
   58   HD11  ILE   9          HD11      ILE   9  -2.869  -4.320   4.100
   59   HD12  ILE   9          HD12      ILE   9  -3.004  -5.146   2.548
   60   HD13  ILE   9          HD13      ILE   9  -3.913  -3.660   2.841
   61    H    ALA  10           HN       ALA  10   1.902  -4.222   0.253
   62    HA   ALA  10           HA       ALA  10   3.950  -5.579   1.727
   63    HB1  ALA  10           HB1      ALA  10   4.759  -6.210  -0.512
   64    HB2  ALA  10           HB2      ALA  10   3.603  -5.091  -1.235
   65    HB3  ALA  10           HB3      ALA  10   3.027  -6.497  -0.340
   66    H    ASN  11           HN       ASN  11   6.222  -5.100   0.066
   67    HA   ASN  11           HA       ASN  11   7.058  -2.588   1.126
   68    HB2  ASN  11           HB2      ASN  11   8.564  -4.515  -0.657
   69    HB3  ASN  11           HB1      ASN  11   9.248  -3.020  -0.034
   70   HD21  ASN  11          HD21      ASN  11   9.801  -2.884   2.130
   71   HD22  ASN  11          HD22      ASN  11   9.856  -4.270   3.160
   72    H    ASN  12           HN       ASN  12   5.717  -1.181   0.207
   73    HA   ASN  12           HA       ASN  12   6.369  -0.318  -2.505
   74    HB2  ASN  12           HB2      ASN  12   4.259  -1.619  -2.604
   75    HB3  ASN  12           HB1      ASN  12   3.580  -0.614  -1.334
   76   HD21  ASN  12          HD21      ASN  12   4.492  -0.774  -4.681
   77   HD22  ASN  12          HD22      ASN  12   3.645   0.663  -5.153
   78    HA   PRO  13           HA       PRO  13   6.974   3.507  -0.262
   79    HB2  PRO  13           HB2      PRO  13   6.476   5.309  -2.275
   80    HB3  PRO  13           HB1      PRO  13   7.994   4.424  -2.091
   81    HG2  PRO  13           HG2      PRO  13   5.653   3.812  -3.853
   82    HG3  PRO  13           HG1      PRO  13   7.387   3.767  -4.229
   83    HD2  PRO  13           HD2      PRO  13   6.033   1.526  -3.716
   84    HD3  PRO  13           HD1      PRO  13   7.695   1.742  -3.124
   85    H    ASP  14           HN       ASP  14   3.973   2.889  -1.910
   86    HA   ASP  14           HA       ASP  14   2.605   5.191  -0.815
   87    HB2  ASP  14           HB2      ASP  14   1.584   2.847  -2.434
   88    HB3  ASP  14           HB1      ASP  14   0.567   4.164  -1.870
   89    H    LEU  15           HN       LEU  15   3.574   2.375   0.473
   90    HA   LEU  15           HA       LEU  15   1.445   1.476   2.020
   91    HB2  LEU  15           HB2      LEU  15   3.497   0.230   1.894
   92    HB3  LEU  15           HB1      LEU  15   4.405   1.558   2.579
   93    HG   LEU  15           HG       LEU  15   3.218   1.221   4.730
   94   HD11  LEU  15          HD11      LEU  15   1.183   0.175   3.831
   95   HD12  LEU  15          HD12      LEU  15   1.930  -0.773   5.114
   96   HD13  LEU  15          HD13      LEU  15   2.147  -1.253   3.429
   97   HD21  LEU  15          HD21      LEU  15   5.404   0.224   4.352
   98   HD22  LEU  15          HD22      LEU  15   4.644  -1.203   3.646
   99   HD23  LEU  15          HD23      LEU  15   4.402  -0.826   5.352
  100    H    CYS  16           HN       CYS  16   0.206   3.016   2.962
  101    HA   CYS  16           HA       CYS  16   1.472   4.492   5.137
  102    HB2  CYS  16           HB2      CYS  16  -0.799   5.429   3.380
  103    HB3  CYS  16           HB1      CYS  16  -0.190   6.301   4.779
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   0.620   7.775  -5.449
    2    H2   GLY   1           HT2      GLY   1   0.321   6.190  -4.987
    3    H3   GLY   1           HT3      GLY   1   1.389   7.098  -4.089
    4    HA2  GLY   1           HA1      GLY   1  -0.481   8.553  -3.440
    5    HA3  GLY   1           HA2      GLY   1  -1.531   7.430  -4.303
    6    H    CYS   2           HN       CYS   2  -1.090   8.156  -1.373
    7    HA   CYS   2           HA       CYS   2   0.130   6.038  -0.064
    8    HB2  CYS   2           HB2      CYS   2  -1.989   7.936   0.804
    9    HB3  CYS   2           HB1      CYS   2  -1.363   6.696   1.873
   10    H    CYS   3           HN       CYS   3  -0.342   4.084   0.111
   11    HA   CYS   3           HA       CYS   3  -3.105   3.185  -0.286
   12    HB2  CYS   3           HB2      CYS   3  -0.575   1.537  -0.084
   13    HB3  CYS   3           HB1      CYS   3  -2.173   0.965  -0.537
   14    H    SER   4           HN       SER   4  -4.191   2.847   1.547
   15    HA   SER   4           HA       SER   4  -2.755   2.345   4.013
   16    HB2  SER   4           HB2      SER   4  -5.146   2.476   4.897
   17    HB3  SER   4           HB1      SER   4  -4.475   3.958   4.214
   18    HG   SER   4           HG       SER   4  -5.843   3.878   2.643
   19    H    ARG   5           HN       ARG   5  -3.955   0.660   1.442
   20    HA   ARG   5           HA       ARG   5  -4.545  -1.777   2.907
   21    HB2  ARG   5           HB2      ARG   5  -6.763  -1.899   1.943
   22    HB3  ARG   5           HB1      ARG   5  -6.608  -0.381   2.812
   23    HG2  ARG   5           HG2      ARG   5  -5.986   0.624   0.522
   24    HG3  ARG   5           HG1      ARG   5  -6.700  -0.844  -0.141
   25    HD2  ARG   5           HD2      ARG   5  -8.398   0.826  -0.110
   26    HD3  ARG   5           HD1      ARG   5  -8.762  -0.316   1.186
   27    HE   ARG   5           HE       ARG   5  -7.309   1.555   2.460
   28   HH11  ARG   5          HH11      ARG   5 -10.182   1.847   0.415
   29   HH12  ARG   5          HH12      ARG   5 -10.657   3.335   1.117
   30   HH21  ARG   5          HH21      ARG   5  -8.014   3.547   3.399
   31   HH22  ARG   5          HH22      ARG   5  -9.426   4.298   2.807
   32    HA   PRO   6           HA       PRO   6  -3.029  -3.831  -0.890
   33    HB2  PRO   6           HB2      PRO   6  -5.795  -4.994  -1.074
   34    HB3  PRO   6           HB1      PRO   6  -4.236  -5.811  -1.218
   35    HG2  PRO   6           HG2      PRO   6  -5.616  -6.028   1.015
   36    HG3  PRO   6           HG1      PRO   6  -3.862  -5.788   1.078
   37    HD2  PRO   6           HD2      PRO   6  -6.060  -3.853   1.616
   38    HD3  PRO   6           HD1      PRO   6  -4.475  -4.005   2.399
   39    HA   PRO   7           HA       PRO   7  -3.390  -5.071  -3.012
   40    HB2  PRO   7           HB2      PRO   7  -2.528  -4.797  -5.502
   41    HB3  PRO   7           HB1      PRO   7  -4.241  -5.081  -5.124
   42    HG2  PRO   7           HG2      PRO   7  -2.885  -2.504  -5.826
   43    HG3  PRO   7           HG1      PRO   7  -4.429  -3.145  -6.414
   44    HD2  PRO   7           HD2      PRO   7  -4.155  -1.316  -4.344
   45    HD3  PRO   7           HD1      PRO   7  -5.570  -2.354  -4.599
   46    H    CYS   8           HN       CYS   8  -2.428  -2.392  -2.212
   47    HA   CYS   8           HA       CYS   8   0.414  -2.592  -2.847
   48    HB2  CYS   8           HB2      CYS   8  -0.851  -0.673  -0.879
   49    HB3  CYS   8           HB1      CYS   8   0.719  -0.517  -1.655
   50    H    ILE   9           HN       ILE   9   0.220  -4.773  -1.876
   51    HA   ILE   9           HA       ILE   9   0.052  -4.983   1.005
   52    HB   ILE   9           HB       ILE   9   0.743  -7.122  -1.042
   53   HG12  ILE   9          HG12      ILE   9  -1.903  -6.504   0.293
   54   HG13  ILE   9          HG11      ILE   9  -1.501  -6.122  -1.375
   55   HG21  ILE   9          HG21      ILE   9   0.153  -8.717   0.726
   56   HG22  ILE   9          HG22      ILE   9  -0.128  -7.382   1.844
   57   HG23  ILE   9          HG23      ILE   9   1.496  -7.687   1.226
   58   HD11  ILE   9          HD11      ILE   9  -2.885  -8.113  -1.228
   59   HD12  ILE   9          HD12      ILE   9  -1.689  -8.883  -0.184
   60   HD13  ILE   9          HD13      ILE   9  -1.287  -8.510  -1.861
   61    H    ALA  10           HN       ALA  10   2.475  -4.802  -1.440
   62    HA   ALA  10           HA       ALA  10   4.621  -5.858   0.096
   63    HB1  ALA  10           HB1      ALA  10   4.681  -4.210  -2.425
   64    HB2  ALA  10           HB2      ALA  10   4.649  -5.972  -2.346
   65    HB3  ALA  10           HB3      ALA  10   6.046  -5.086  -1.742
   66    H    ASN  11           HN       ASN  11   6.584  -4.585   0.621
   67    HA   ASN  11           HA       ASN  11   5.846  -2.284   2.113
   68    HB2  ASN  11           HB2      ASN  11   8.560  -3.511   1.599
   69    HB3  ASN  11           HB1      ASN  11   8.332  -2.070   2.581
   70   HD21  ASN  11          HD21      ASN  11   7.203  -2.255   4.534
   71   HD22  ASN  11          HD22      ASN  11   7.052  -3.778   5.336
   72    H    ASN  12           HN       ASN  12   5.103  -0.875   0.865
   73    HA   ASN  12           HA       ASN  12   6.685   0.252  -1.337
   74    HB2  ASN  12           HB2      ASN  12   4.408  -0.722  -1.756
   75    HB3  ASN  12           HB1      ASN  12   3.736   0.457  -0.655
   76   HD21  ASN  12          HD21      ASN  12   3.064  -0.018  -3.359
   77   HD22  ASN  12          HD22      ASN  12   3.355   1.446  -4.212
   78    HA   PRO  13           HA       PRO  13   7.334   3.892   1.344
   79    HB2  PRO  13           HB2      PRO  13   7.301   5.270  -1.307
   80    HB3  PRO  13           HB1      PRO  13   8.483   5.395   0.001
   81    HG2  PRO  13           HG2      PRO  13   9.062   4.003  -2.178
   82    HG3  PRO  13           HG1      PRO  13   9.529   3.399  -0.578
   83    HD2  PRO  13           HD2      PRO  13   7.290   2.523  -2.353
   84    HD3  PRO  13           HD1      PRO  13   8.351   1.557  -1.305
   85    H    ASP  14           HN       ASP  14   4.906   3.519  -1.096
   86    HA   ASP  14           HA       ASP  14   3.368   5.804  -0.323
   87    HB2  ASP  14           HB2      ASP  14   2.780   3.510  -2.172
   88    HB3  ASP  14           HB1      ASP  14   1.533   4.661  -1.720
   89    H    LEU  15           HN       LEU  15   3.860   2.943   1.255
   90    HA   LEU  15           HA       LEU  15   1.163   2.592   2.171
   91    HB2  LEU  15           HB2      LEU  15   3.738   1.565   3.374
   92    HB3  LEU  15           HB1      LEU  15   2.141   1.166   3.963
   93    HG   LEU  15           HG       LEU  15   3.354   0.385   1.326
   94   HD11  LEU  15          HD11      LEU  15   2.479  -1.220   3.711
   95   HD12  LEU  15          HD12      LEU  15   4.142  -0.900   3.215
   96   HD13  LEU  15          HD13      LEU  15   3.090  -1.879   2.194
   97   HD21  LEU  15          HD21      LEU  15   0.572  -0.107   2.379
   98   HD22  LEU  15          HD22      LEU  15   1.272  -0.865   0.950
   99   HD23  LEU  15          HD23      LEU  15   1.016   0.878   0.981
  100    H    CYS  16           HN       CYS  16   0.251   4.149   3.138
  101    HA   CYS  16           HA       CYS  16   1.763   5.579   5.186
  102    HB2  CYS  16           HB2      CYS  16  -0.661   6.529   3.640
  103    HB3  CYS  16           HB1      CYS  16   0.269   7.478   4.784
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   1.296   7.295  -3.960
    2    H2   GLY   1           HT2      GLY   1   0.693   8.508  -4.972
    3    H3   GLY   1           HT3      GLY   1  -0.165   7.058  -4.760
    4    HA2  GLY   1           HA1      GLY   1   0.379   9.049  -2.658
    5    HA3  GLY   1           HA2      GLY   1  -1.179   8.799  -3.439
    6    H    CYS   2           HN       CYS   2  -0.783   8.582  -0.691
    7    HA   CYS   2           HA       CYS   2  -0.043   6.171   0.361
    8    HB2  CYS   2           HB2      CYS   2  -2.037   8.164   1.324
    9    HB3  CYS   2           HB1      CYS   2  -1.596   6.752   2.262
   10    H    CYS   3           HN       CYS   3  -0.699   4.290   0.229
   11    HA   CYS   3           HA       CYS   3  -3.503   3.595  -0.305
   12    HB2  CYS   3           HB2      CYS   3  -1.045   1.863  -0.218
   13    HB3  CYS   3           HB1      CYS   3  -2.649   1.339  -0.700
   14    H    SER   4           HN       SER   4  -4.584   3.003   1.555
   15    HA   SER   4           HA       SER   4  -3.012   2.230   3.856
   16    HB2  SER   4           HB2      SER   4  -5.368   2.227   4.915
   17    HB3  SER   4           HB1      SER   4  -4.692   3.780   4.418
   18    HG   SER   4           HG       SER   4  -6.223   3.992   3.068
   19    H    ARG   5           HN       ARG   5  -4.472   0.830   1.233
   20    HA   ARG   5           HA       ARG   5  -4.848  -1.785   2.549
   21    HB2  ARG   5           HB2      ARG   5  -6.753  -2.168   1.109
   22    HB3  ARG   5           HB1      ARG   5  -6.976  -0.617   1.901
   23    HG2  ARG   5           HG2      ARG   5  -6.029   0.451  -0.173
   24    HG3  ARG   5           HG1      ARG   5  -6.121  -1.128  -0.929
   25    HD2  ARG   5           HD2      ARG   5  -8.440   0.433   0.198
   26    HD3  ARG   5           HD1      ARG   5  -8.041   0.217  -1.505
   27    HE   ARG   5           HE       ARG   5  -8.487  -2.209  -0.009
   28   HH11  ARG   5          HH11      ARG   5  -9.918   0.248  -2.149
   29   HH12  ARG   5          HH12      ARG   5 -11.242  -0.754  -2.566
   30   HH21  ARG   5          HH21      ARG   5 -10.317  -3.502  -0.559
   31   HH22  ARG   5          HH22      ARG   5 -11.468  -2.901  -1.665
   32    HA   PRO   6           HA       PRO   6  -2.317  -3.750  -0.718
   33    HB2  PRO   6           HB2      PRO   6  -4.799  -5.252  -1.453
   34    HB3  PRO   6           HB1      PRO   6  -3.172  -5.863  -1.141
   35    HG2  PRO   6           HG2      PRO   6  -5.045  -6.163   0.689
   36    HG3  PRO   6           HG1      PRO   6  -3.404  -5.696   1.168
   37    HD2  PRO   6           HD2      PRO   6  -5.865  -4.031   0.954
   38    HD3  PRO   6           HD1      PRO   6  -4.560  -3.965   2.158
   39    HA   PRO   7           HA       PRO   7  -1.895  -5.009  -2.619
   40    HB2  PRO   7           HB2      PRO   7  -0.622  -4.484  -5.066
   41    HB3  PRO   7           HB1      PRO   7  -1.885  -5.672  -4.715
   42    HG2  PRO   7           HG2      PRO   7  -2.162  -3.402  -6.379
   43    HG3  PRO   7           HG1      PRO   7  -3.461  -4.448  -5.794
   44    HD2  PRO   7           HD2      PRO   7  -2.511  -1.826  -4.721
   45    HD3  PRO   7           HD1      PRO   7  -4.158  -2.493  -4.782
   46    H    CYS   8           HN       CYS   8  -1.642  -2.132  -2.127
   47    HA   CYS   8           HA       CYS   8   1.243  -1.615  -2.348
   48    HB2  CYS   8           HB2      CYS   8  -0.764  -0.009  -0.779
   49    HB3  CYS   8           HB1      CYS   8   0.800   0.544  -1.361
   50    H    ILE   9           HN       ILE   9  -0.322  -3.663  -0.568
   51    HA   ILE   9           HA       ILE   9   0.296  -2.962   2.153
   52    HB   ILE   9           HB       ILE   9  -1.639  -4.372   1.415
   53   HG12  ILE   9          HG12      ILE   9  -1.491  -6.038   3.296
   54   HG13  ILE   9          HG11      ILE   9   0.191  -5.567   3.501
   55   HG21  ILE   9          HG21      ILE   9  -1.298  -6.793   1.067
   56   HG22  ILE   9          HG22      ILE   9   0.442  -6.497   1.006
   57   HG23  ILE   9          HG23      ILE   9  -0.619  -5.779  -0.207
   58   HD11  ILE   9          HD11      ILE   9  -1.274  -4.482   5.108
   59   HD12  ILE   9          HD12      ILE   9  -2.184  -3.741   3.791
   60   HD13  ILE   9          HD13      ILE   9  -0.495  -3.304   4.056
   61    H    ALA  10           HN       ALA  10   1.822  -4.394  -0.407
   62    HA   ALA  10           HA       ALA  10   3.808  -5.968   0.945
   63    HB1  ALA  10           HB1      ALA  10   3.851  -4.800  -1.844
   64    HB2  ALA  10           HB2      ALA  10   3.182  -6.366  -1.406
   65    HB3  ALA  10           HB3      ALA  10   4.912  -6.073  -1.239
   66    H    ASN  11           HN       ASN  11   6.257  -5.156  -0.006
   67    HA   ASN  11           HA       ASN  11   6.781  -2.800   1.525
   68    HB2  ASN  11           HB2      ASN  11   8.583  -4.428  -0.286
   69    HB3  ASN  11           HB1      ASN  11   9.142  -3.022   0.614
   70   HD21  ASN  11          HD21      ASN  11   9.339  -3.188   2.857
   71   HD22  ASN  11          HD22      ASN  11   9.367  -4.715   3.649
   72    H    ASN  12           HN       ASN  12   5.607  -1.266   0.669
   73    HA   ASN  12           HA       ASN  12   6.457  -0.212  -1.918
   74    HB2  ASN  12           HB2      ASN  12   4.339  -1.466  -2.201
   75    HB3  ASN  12           HB1      ASN  12   3.602  -0.494  -0.938
   76   HD21  ASN  12          HD21      ASN  12   4.730  -0.544  -4.221
   77   HD22  ASN  12          HD22      ASN  12   3.932   0.911  -4.702
   78    HA   PRO  13           HA       PRO  13   7.014   3.416   0.583
   79    HB2  PRO  13           HB2      PRO  13   6.944   5.287  -1.415
   80    HB3  PRO  13           HB1      PRO  13   8.352   4.294  -1.029
   81    HG2  PRO  13           HG2      PRO  13   6.288   3.907  -3.165
   82    HG3  PRO  13           HG1      PRO  13   8.047   3.711  -3.268
   83    HD2  PRO  13           HD2      PRO  13   6.413   1.607  -3.035
   84    HD3  PRO  13           HD1      PRO  13   7.997   1.636  -2.229
   85    H    ASP  14           HN       ASP  14   4.245   3.030  -1.485
   86    HA   ASP  14           HA       ASP  14   3.003   5.460  -0.531
   87    HB2  ASP  14           HB2      ASP  14   2.034   3.332  -2.430
   88    HB3  ASP  14           HB1      ASP  14   1.050   4.697  -1.920
   89    H    LEU  15           HN       LEU  15   3.378   2.458   0.729
   90    HA   LEU  15           HA       LEU  15   0.741   2.159   1.783
   91    HB2  LEU  15           HB2      LEU  15   2.248   0.232   1.533
   92    HB3  LEU  15           HB1      LEU  15   3.332   0.934   2.716
   93    HG   LEU  15           HG       LEU  15   1.553   0.733   4.429
   94   HD11  LEU  15          HD11      LEU  15  -0.415   0.794   3.039
   95   HD12  LEU  15          HD12      LEU  15  -0.388  -0.714   3.958
   96   HD13  LEU  15          HD13      LEU  15   0.057  -0.711   2.254
   97   HD21  LEU  15          HD21      LEU  15   1.694  -1.696   4.672
   98   HD22  LEU  15          HD22      LEU  15   3.246  -0.982   4.239
   99   HD23  LEU  15          HD23      LEU  15   2.289  -1.822   3.016
  100    H    CYS  16           HN       CYS  16   0.009   3.689   3.005
  101    HA   CYS  16           HA       CYS  16   1.727   4.766   5.099
  102    HB2  CYS  16           HB2      CYS  16  -0.744   5.979   3.843
  103    HB3  CYS  16           HB1      CYS  16   0.203   6.713   5.128
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   1.733   7.459  -3.466
    2    H2   GLY   1           HT2      GLY   1   2.420   8.627  -2.483
    3    H3   GLY   1           HT3      GLY   1   1.819   9.072  -4.008
    4    HA2  GLY   1           HA1      GLY   1   0.312   9.720  -2.228
    5    HA3  GLY   1           HA2      GLY   1  -0.409   8.454  -3.226
    6    H    CYS   2           HN       CYS   2  -1.713   7.811  -1.400
    7    HA   CYS   2           HA       CYS   2  -0.187   6.131   0.398
    8    HB2  CYS   2           HB2      CYS   2  -2.263   8.131   1.228
    9    HB3  CYS   2           HB1      CYS   2  -1.834   6.759   2.236
   10    H    CYS   3           HN       CYS   3  -0.858   4.223   0.452
   11    HA   CYS   3           HA       CYS   3  -3.594   3.521  -0.374
   12    HB2  CYS   3           HB2      CYS   3  -1.164   1.779  -0.038
   13    HB3  CYS   3           HB1      CYS   3  -2.722   1.262  -0.648
   14    H    SER   4           HN       SER   4  -4.860   3.090   1.427
   15    HA   SER   4           HA       SER   4  -3.588   1.913   3.748
   16    HB2  SER   4           HB2      SER   4  -5.942   1.996   4.667
   17    HB3  SER   4           HB1      SER   4  -5.313   3.575   4.201
   18    HG   SER   4           HG       SER   4  -7.390   2.111   3.169
   19    H    ARG   5           HN       ARG   5  -5.182   1.210   0.901
   20    HA   ARG   5           HA       ARG   5  -6.157  -1.444   1.499
   21    HB2  ARG   5           HB2      ARG   5  -6.794  -1.441  -0.889
   22    HB3  ARG   5           HB1      ARG   5  -7.427  -0.045  -0.022
   23    HG2  ARG   5           HG2      ARG   5  -5.798   1.392  -1.011
   24    HG3  ARG   5           HG1      ARG   5  -4.905   0.025  -1.656
   25    HD2  ARG   5           HD2      ARG   5  -7.725   0.690  -2.472
   26    HD3  ARG   5           HD1      ARG   5  -6.306   1.296  -3.321
   27    HE   ARG   5           HE       ARG   5  -6.616  -1.589  -2.960
   28   HH11  ARG   5          HH11      ARG   5  -6.545   1.192  -5.189
   29   HH12  ARG   5          HH12      ARG   5  -6.480   0.216  -6.578
   30   HH21  ARG   5          HH21      ARG   5  -6.496  -2.875  -4.878
   31   HH22  ARG   5          HH22      ARG   5  -6.453  -2.137  -6.419
   32    HA   PRO   6           HA       PRO   6  -2.627  -3.612  -0.353
   33    HB2  PRO   6           HB2      PRO   6  -3.953  -5.746  -1.407
   34    HB3  PRO   6           HB1      PRO   6  -3.618  -5.623   0.322
   35    HG2  PRO   6           HG2      PRO   6  -6.135  -4.998  -1.169
   36    HG3  PRO   6           HG1      PRO   6  -5.934  -5.861   0.368
   37    HD2  PRO   6           HD2      PRO   6  -6.677  -3.275   0.267
   38    HD3  PRO   6           HD1      PRO   6  -5.658  -3.915   1.571
   39    HA   PRO   7           HA       PRO   7  -1.785  -5.155  -1.857
   40    HB2  PRO   7           HB2      PRO   7  -0.298  -5.572  -3.986
   41    HB3  PRO   7           HB1      PRO   7  -2.004  -6.070  -3.867
   42    HG2  PRO   7           HG2      PRO   7  -0.833  -3.809  -5.418
   43    HG3  PRO   7           HG1      PRO   7  -2.201  -4.858  -5.825
   44    HD2  PRO   7           HD2      PRO   7  -2.261  -2.295  -4.556
   45    HD3  PRO   7           HD1      PRO   7  -3.633  -3.365  -4.908
   46    H    CYS   8           HN       CYS   8  -1.553  -2.342  -1.537
   47    HA   CYS   8           HA       CYS   8   1.247  -1.701  -2.036
   48    HB2  CYS   8           HB2      CYS   8  -0.825  -0.133  -0.514
   49    HB3  CYS   8           HB1      CYS   8   0.754   0.470  -0.997
   50    H    ILE   9           HN       ILE   9  -0.085  -3.701   0.133
   51    HA   ILE   9           HA       ILE   9   0.993  -2.635   2.586
   52    HB   ILE   9           HB       ILE   9  -0.185  -5.413   2.111
   53   HG12  ILE   9          HG12      ILE   9  -1.535  -2.911   3.150
   54   HG13  ILE   9          HG11      ILE   9  -1.736  -3.546   1.524
   55   HG21  ILE   9          HG21      ILE   9   0.214  -3.834   4.656
   56   HG22  ILE   9          HG22      ILE   9   1.151  -5.243   4.161
   57   HG23  ILE   9          HG23      ILE   9  -0.567  -5.411   4.527
   58   HD11  ILE   9          HD11      ILE   9  -2.509  -4.935   4.077
   59   HD12  ILE   9          HD12      ILE   9  -2.723  -5.579   2.450
   60   HD13  ILE   9          HD13      ILE   9  -3.608  -4.137   2.952
   61    H    ALA  10           HN       ALA  10   2.135  -4.510   0.030
   62    HA   ALA  10           HA       ALA  10   4.273  -5.857   1.425
   63    HB1  ALA  10           HB1      ALA  10   3.359  -6.745  -0.679
   64    HB2  ALA  10           HB2      ALA  10   5.072  -6.375  -0.863
   65    HB3  ALA  10           HB3      ALA  10   3.859  -5.280  -1.521
   66    H    ASN  11           HN       ASN  11   6.522  -5.192  -0.221
   67    HA   ASN  11           HA       ASN  11   7.171  -2.643   0.892
   68    HB2  ASN  11           HB2      ASN  11   8.755  -4.490  -0.897
   69    HB3  ASN  11           HB1      ASN  11   9.324  -2.867  -0.537
   70   HD21  ASN  11          HD21      ASN  11   8.745  -6.030   0.725
   71   HD22  ASN  11          HD22      ASN  11   9.598  -5.817   2.206
   72    H    ASN  12           HN       ASN  12   5.720  -1.354   0.153
   73    HA   ASN  12           HA       ASN  12   6.125  -0.299  -2.532
   74    HB2  ASN  12           HB2      ASN  12   4.074  -1.614  -2.587
   75    HB3  ASN  12           HB1      ASN  12   3.503  -0.846  -1.113
   76   HD21  ASN  12          HD21      ASN  12   3.907  -0.515  -4.548
   77   HD22  ASN  12          HD22      ASN  12   2.964   0.927  -4.664
   78    HA   PRO  13           HA       PRO  13   6.755   3.198   0.178
   79    HB2  PRO  13           HB2      PRO  13   6.627   5.000  -2.105
   80    HB3  PRO  13           HB1      PRO  13   8.017   4.555  -1.120
   81    HG2  PRO  13           HG2      PRO  13   7.734   3.745  -3.694
   82    HG3  PRO  13           HG1      PRO  13   8.588   2.792  -2.470
   83    HD2  PRO  13           HD2      PRO  13   5.813   2.455  -3.539
   84    HD3  PRO  13           HD1      PRO  13   7.053   1.234  -3.166
   85    H    ASP  14           HN       ASP  14   3.907   2.836  -1.638
   86    HA   ASP  14           HA       ASP  14   2.741   5.352  -0.732
   87    HB2  ASP  14           HB2      ASP  14   1.547   3.109  -2.376
   88    HB3  ASP  14           HB1      ASP  14   0.702   4.584  -1.932
   89    H    LEU  15           HN       LEU  15   3.263   2.388   0.586
   90    HA   LEU  15           HA       LEU  15   0.779   2.025   1.893
   91    HB2  LEU  15           HB2      LEU  15   2.438   0.234   1.701
   92    HB3  LEU  15           HB1      LEU  15   3.528   1.130   2.738
   93    HG   LEU  15           HG       LEU  15   1.929   0.919   4.591
   94   HD11  LEU  15          HD11      LEU  15   0.061  -0.691   4.398
   95   HD12  LEU  15          HD12      LEU  15   0.318  -0.724   2.647
   96   HD13  LEU  15          HD13      LEU  15  -0.150   0.772   3.444
   97   HD21  LEU  15          HD21      LEU  15   2.260  -1.488   4.986
   98   HD22  LEU  15          HD22      LEU  15   3.713  -0.690   4.384
   99   HD23  LEU  15          HD23      LEU  15   2.743  -1.681   3.298
  100    H    CYS  16           HN       CYS  16  -0.026   3.621   3.038
  101    HA   CYS  16           HA       CYS  16   1.706   4.882   5.025
  102    HB2  CYS  16           HB2      CYS  16  -0.855   5.928   3.791
  103    HB3  CYS  16           HB1      CYS  16   0.047   6.746   5.060
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   1.841   8.616  -4.346
    2    H2   GLY   1           HT2      GLY   1   1.756   7.075  -3.631
    3    H3   GLY   1           HT3      GLY   1   2.472   8.346  -2.792
    4    HA2  GLY   1           HA1      GLY   1   0.382   9.444  -2.578
    5    HA3  GLY   1           HA2      GLY   1  -0.369   8.135  -3.488
    6    H    CYS   2           HN       CYS   2  -1.666   7.749  -1.594
    7    HA   CYS   2           HA       CYS   2  -0.222   6.131   0.317
    8    HB2  CYS   2           HB2      CYS   2  -2.119   8.342   0.901
    9    HB3  CYS   2           HB1      CYS   2  -1.859   7.061   2.067
   10    H    CYS   3           HN       CYS   3  -0.935   4.286   0.353
   11    HA   CYS   3           HA       CYS   3  -3.663   3.600  -0.472
   12    HB2  CYS   3           HB2      CYS   3  -1.301   1.813   0.094
   13    HB3  CYS   3           HB1      CYS   3  -2.817   1.326  -0.651
   14    H    SER   4           HN       SER   4  -5.092   2.968   1.096
   15    HA   SER   4           HA       SER   4  -4.150   2.703   3.808
   16    HB2  SER   4           HB2      SER   4  -6.697   2.626   4.144
   17    HB3  SER   4           HB1      SER   4  -5.981   4.140   3.581
   18    HG   SER   4           HG       SER   4  -7.717   2.458   2.330
   19    H    ARG   5           HN       ARG   5  -4.608   0.740   1.191
   20    HA   ARG   5           HA       ARG   5  -4.864  -1.655   2.775
   21    HB2  ARG   5           HB2      ARG   5  -6.771  -2.508   1.482
   22    HB3  ARG   5           HB1      ARG   5  -7.204  -0.990   2.243
   23    HG2  ARG   5           HG2      ARG   5  -6.894   0.183   0.161
   24    HG3  ARG   5           HG1      ARG   5  -6.354  -1.311  -0.612
   25    HD2  ARG   5           HD2      ARG   5  -8.550  -2.302  -0.168
   26    HD3  ARG   5           HD1      ARG   5  -9.082  -0.780   0.549
   27    HE   ARG   5           HE       ARG   5  -8.042  -0.530  -2.104
   28   HH11  ARG   5          HH11      ARG   5 -10.980  -1.167  -0.203
   29   HH12  ARG   5          HH12      ARG   5 -12.042  -0.711  -1.454
   30   HH21  ARG   5          HH21      ARG   5  -9.556   0.078  -3.820
   31   HH22  ARG   5          HH22      ARG   5 -11.235   0.008  -3.507
   32    HA   PRO   6           HA       PRO   6  -2.226  -3.563  -0.386
   33    HB2  PRO   6           HB2      PRO   6  -4.545  -5.335  -1.045
   34    HB3  PRO   6           HB1      PRO   6  -2.865  -5.772  -0.739
   35    HG2  PRO   6           HG2      PRO   6  -4.677  -6.170   1.132
   36    HG3  PRO   6           HG1      PRO   6  -3.073  -5.545   1.560
   37    HD2  PRO   6           HD2      PRO   6  -5.682  -4.152   1.388
   38    HD3  PRO   6           HD1      PRO   6  -4.334  -3.885   2.513
   39    HA   PRO   7           HA       PRO   7  -1.775  -4.993  -2.242
   40    HB2  PRO   7           HB2      PRO   7  -0.617  -5.021  -4.582
   41    HB3  PRO   7           HB1      PRO   7  -2.309  -5.525  -4.380
   42    HG2  PRO   7           HG2      PRO   7  -1.260  -2.929  -5.426
   43    HG3  PRO   7           HG1      PRO   7  -2.552  -3.952  -6.077
   44    HD2  PRO   7           HD2      PRO   7  -2.921  -1.758  -4.378
   45    HD3  PRO   7           HD1      PRO   7  -4.113  -3.041  -4.676
   46    H    CYS   8           HN       CYS   8  -1.533  -2.153  -1.691
   47    HA   CYS   8           HA       CYS   8   1.301  -1.604  -2.190
   48    HB2  CYS   8           HB2      CYS   8  -0.630  -0.036  -0.479
   49    HB3  CYS   8           HB1      CYS   8   0.932   0.526  -1.070
   50    H    ILE   9           HN       ILE   9  -0.117  -3.679  -0.258
   51    HA   ILE   9           HA       ILE   9   0.911  -3.058   2.343
   52    HB   ILE   9           HB       ILE   9  -1.142  -4.371   1.909
   53   HG12  ILE   9          HG12      ILE   9  -0.784  -6.112   3.678
   54   HG13  ILE   9          HG11      ILE   9   0.938  -5.768   3.599
   55   HG21  ILE   9          HG21      ILE   9  -0.992  -6.778   1.402
   56   HG22  ILE   9          HG22      ILE   9   0.731  -6.564   1.088
   57   HG23  ILE   9          HG23      ILE   9  -0.457  -5.741   0.078
   58   HD11  ILE   9          HD11      ILE   9   0.522  -3.484   4.348
   59   HD12  ILE   9          HD12      ILE   9  -0.118  -4.661   5.491
   60   HD13  ILE   9          HD13      ILE   9  -1.210  -3.815   4.395
   61    H    ALA  10           HN       ALA  10   2.046  -4.542  -0.396
   62    HA   ALA  10           HA       ALA  10   4.231  -6.078   0.687
   63    HB1  ALA  10           HB1      ALA  10   3.394  -6.529  -1.576
   64    HB2  ALA  10           HB2      ALA  10   5.092  -6.073  -1.640
   65    HB3  ALA  10           HB3      ALA  10   3.850  -4.903  -2.079
   66    H    ASN  11           HN       ASN  11   6.523  -5.168  -0.608
   67    HA   ASN  11           HA       ASN  11   7.099  -2.865   0.995
   68    HB2  ASN  11           HB2      ASN  11   8.944  -4.298  -0.957
   69    HB3  ASN  11           HB1      ASN  11   9.431  -3.040   0.166
   70   HD21  ASN  11          HD21      ASN  11  10.448  -5.724   0.007
   71   HD22  ASN  11          HD22      ASN  11  10.117  -6.463   1.526
   72    H    ASN  12           HN       ASN  12   5.710  -1.477   0.138
   73    HA   ASN  12           HA       ASN  12   6.618  -0.049  -2.246
   74    HB2  ASN  12           HB2      ASN  12   4.629  -1.436  -2.850
   75    HB3  ASN  12           HB1      ASN  12   3.725  -0.692  -1.544
   76   HD21  ASN  12          HD21      ASN  12   3.190  -0.768  -4.433
   77   HD22  ASN  12          HD22      ASN  12   3.068   0.883  -4.918
   78    HA   PRO  13           HA       PRO  13   6.670   3.162   0.933
   79    HB2  PRO  13           HB2      PRO  13   6.707   4.941  -1.432
   80    HB3  PRO  13           HB1      PRO  13   7.813   4.871  -0.057
   81    HG2  PRO  13           HG2      PRO  13   8.531   3.935  -2.438
   82    HG3  PRO  13           HG1      PRO  13   9.020   3.108  -0.947
   83    HD2  PRO  13           HD2      PRO  13   6.895   2.378  -2.917
   84    HD3  PRO  13           HD1      PRO  13   8.014   1.346  -2.002
   85    H    ASP  14           HN       ASP  14   4.331   2.928  -1.615
   86    HA   ASP  14           HA       ASP  14   2.701   5.165  -0.919
   87    HB2  ASP  14           HB2      ASP  14   2.188   2.704  -2.562
   88    HB3  ASP  14           HB1      ASP  14   0.872   3.783  -2.140
   89    H    LEU  15           HN       LEU  15   3.217   2.356   0.749
   90    HA   LEU  15           HA       LEU  15   0.546   2.073   1.754
   91    HB2  LEU  15           HB2      LEU  15   2.218   0.211   1.690
   92    HB3  LEU  15           HB1      LEU  15   3.098   1.027   2.966
   93    HG   LEU  15           HG       LEU  15   1.074   0.831   4.401
   94   HD11  LEU  15          HD11      LEU  15  -0.636   0.585   2.731
   95   HD12  LEU  15          HD12      LEU  15  -0.620  -0.849   3.762
   96   HD13  LEU  15          HD13      LEU  15   0.096  -0.911   2.154
   97   HD21  LEU  15          HD21      LEU  15   1.386  -1.563   4.882
   98   HD22  LEU  15          HD22      LEU  15   2.901  -0.696   4.677
   99   HD23  LEU  15          HD23      LEU  15   2.298  -1.728   3.377
  100    H    CYS  16           HN       CYS  16  -0.254   3.760   2.828
  101    HA   CYS  16           HA       CYS  16   1.388   4.935   4.954
  102    HB2  CYS  16           HB2      CYS  16  -0.939   6.177   3.493
  103    HB3  CYS  16           HB1      CYS  16  -0.002   6.951   4.755