*HEADER    ANTIMICROBIAL PROTEIN                   14-MAY-14   2MP9              
*TITLE     SOLUTION STRUCTURE OF AN POTENT ANTIFUNGAL PEPTIDE CM-P5 DERIVED FROM 
*TITLE    2 C. MURICATUS                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFUNGAL PEPTIDE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CM-P1;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CENCHRITIS MURICATUS;                           
*SOURCE   4 ORGANISM_COMMON: BEADED PERIWINKLE;                                  
*SOURCE   5 ORGANISM_TAXID: 197001                                               
*KEYWDS    HELICAL PEPTIDE, ANTIMICROBIAL, ANTIMICROBIAL PROTEIN                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    Z.J.SUN, G.HEFFRON, C.MCBETH, G.WAGNER, A.J.OTERO-GONZALES,           
*AUTHOR   2 M.N.STARNBACH                                                        
*REVDAT   1   12-AUG-15 2MP9    0                                                


assign ( resid   2 and name HN   )
       ( resid   3 and name HN   ) 0.00 0.00 2.74
assign ( resid   3 and name HN   )
       ( resid   4 and name HN   ) 0.00 0.00 2.59
assign ( resid   7 and name HN   )
       ( resid   8 and name HN   ) 0.00 0.00 2.43
assign ( resid  10 and name HN   )
       ( resid  11 and name HN   ) 0.00 0.00 2.43
assign ( resid  11 and name HN   )
       ( resid  12 and name HN   ) 0.00 0.00 2.43
assign ( resid   6 and name HN   )
       ( resid   7 and name HN   ) 0.00 0.00 2.46
assign ( resid   5 and name HN   )
       ( resid   6 and name HN   ) 0.00 0.00 2.52
assign ( resid   2 and name HN   )
       ( resid   2 and name HA   ) 0.00 0.00 2.62
assign ( resid   1 and name HA   )
       ( resid   2 and name HN   ) 0.00 0.00 2.74
assign ( resid  10 and name HN   )
       ( resid  10 and name HA   ) 0.00 0.00 2.77
assign ( resid   2 and name HA   )
       ( resid   3 and name HN   ) 0.00 0.00 3.08
assign ( resid   8 and name HN   )
       ( resid   8 and name HB*  ) 0.00 0.00 3.65
assign ( resid   7 and name HA   )
       ( resid   8 and name HN   ) 0.00 0.00 3.24
assign ( resid   8 and name HB*  )
       ( resid   9 and name HN   ) 0.00 0.00 4.09
assign ( resid   7 and name HA   )
       ( resid  10 and name HN   ) 0.00 0.00 3.61
assign ( resid   8 and name HA   )
       ( resid   9 and name HN   ) 0.00 0.00 3.36
assign ( resid   9 and name HN   )
       ( resid   9 and name HA   ) 0.00 0.00 2.90
assign ( resid   6 and name HA   )
       ( resid   9 and name HN   ) 0.00 0.00 3.67
assign ( resid   6 and name HA   )
       ( resid  10 and name HN   ) 0.00 0.00 4.23
assign ( resid   6 and name HA   )
       ( resid   7 and name HN   ) 0.00 0.00 3.24
assign ( resid   4 and name HN   )
       ( resid   4 and name HA   ) 0.00 0.00 2.80
assign ( resid   3 and name HA   )
       ( resid   4 and name HN   ) 0.00 0.00 3.33
assign ( resid   5 and name HN   )
       ( resid   5 and name HA   ) 0.00 0.00 2.90
assign ( resid   4 and name HA   )
       ( resid   7 and name HN   ) 0.00 0.00 3.55
assign ( resid   3 and name HA   )
       ( resid   7 and name HN   ) 0.00 0.00 4.20
assign ( resid   8 and name HA   )
       ( resid  11 and name HN   ) 0.00 0.00 3.89
assign ( resid   5 and name HA   )
       ( resid   6 and name HN   ) 0.00 0.00 3.33
assign ( resid   2 and name HA   )
       ( resid   5 and name HN   ) 0.00 0.00 3.67
assign ( resid  11 and name HN   )
       ( resid  11 and name HA   ) 0.00 0.00 2.80
assign ( resid  12 and name HN   )
       ( resid  12 and name HB2  ) 0.00 0.00 3.48
assign ( resid   9 and name HN   )
       ( resid   9 and name HB2  ) 0.00 0.00 3.14
assign ( resid   9 and name HN   )
       ( resid   9 and name HB1  ) 0.00 0.00 3.14
assign ( resid   9 and name HB2  )
       ( resid  10 and name HN   ) 0.00 0.00 3.33
assign ( resid   2 and name HB*  )
       ( resid   3 and name HN   ) 0.00 0.00 4.21
assign ( resid   4 and name HB*  )
       ( resid   5 and name HN   ) 0.00 0.00 4.30
assign ( resid   5 and name HN   )
       ( resid   5 and name HB2  ) 0.00 0.00 2.77
assign ( resid  11 and name HB1  )
       ( resid  12 and name HN   ) 0.00 0.00 3.48
assign ( resid  11 and name HB2  )
       ( resid  12 and name HN   ) 0.00 0.00 3.48
assign ( resid  11 and name HN   )
       ( resid  11 and name HB2  ) 0.00 0.00 3.36
assign ( resid  11 and name HN   )
       ( resid  11 and name HB1  ) 0.00 0.00 3.36
assign ( resid   7 and name HN   )
       ( resid   7 and name HB   ) 0.00 0.00 2.62
assign ( resid   5 and name HB2  )
       ( resid   6 and name HN   ) 0.00 0.00 3.14
assign ( resid   5 and name HB1  )
       ( resid   6 and name HN   ) 0.00 0.00 3.14
assign ( resid  12 and name HN   )
       ( resid  12 and name HB1  ) 0.00 0.00 3.48
assign ( resid   9 and name HB1  )
       ( resid  10 and name HN   ) 0.00 0.00 3.33
assign ( resid  10 and name HN   )
       ( resid  10 and name HB*  ) 0.00 0.00 3.71
assign ( resid   7 and name HB   )
       ( resid   8 and name HN   ) 0.00 0.00 2.90
assign ( resid   4 and name HN   )
       ( resid   4 and name HB*  ) 0.00 0.00 3.71
assign ( resid   5 and name HN   )
       ( resid   5 and name HB1  ) 0.00 0.00 2.77
assign ( resid   6 and name HN   )
       ( resid   6 and name HB   ) 0.00 0.00 2.49
assign ( resid   6 and name HB   )
       ( resid   7 and name HN   ) 0.00 0.00 2.83
assign ( resid  10 and name HB*  )
       ( resid  11 and name HN   ) 0.00 0.00 4.15
assign ( resid   2 and name HN   )
       ( resid   2 and name HG1  ) 0.00 0.00 4.29
assign ( resid   2 and name HN   )
       ( resid   2 and name HD*  ) 0.00 0.00 5.76
assign ( resid   2 and name HN   )
       ( resid   2 and name HG2  ) 0.00 0.00 4.29
assign ( resid  10 and name HN   )
       ( resid  10 and name HG2  ) 0.00 0.00 3.52
assign ( resid   2 and name HG2  )
       ( resid   3 and name HN   ) 0.00 0.00 4.38
assign ( resid   4 and name HG*  )
       ( resid   5 and name HN   ) 0.00 0.00 6.38
assign ( resid  11 and name HN   )
       ( resid  11 and name HG   ) 0.00 0.00 2.86
assign ( resid  10 and name HG1  )
       ( resid  11 and name HN   ) 0.00 0.00 5.50
assign ( resid  10 and name HG2  )
       ( resid  11 and name HN   ) 0.00 0.00 5.50
assign ( resid   6 and name HN   )
       ( resid   6 and name HG12 ) 0.00 0.00 3.21
assign ( resid   9 and name HN   )
       ( resid   9 and name HG2  ) 0.00 0.00 3.52
assign ( resid   9 and name HN   )
       ( resid   9 and name HG1  ) 0.00 0.00 3.52
assign ( resid   9 and name HG1  )
       ( resid  10 and name HN   ) 0.00 0.00 5.47
assign ( resid   9 and name HG2  )
       ( resid  10 and name HN   ) 0.00 0.00 5.47
assign ( resid  10 and name HN   )
       ( resid  10 and name HG1  ) 0.00 0.00 3.52
assign ( resid   2 and name HG1  )
       ( resid   3 and name HN   ) 0.00 0.00 4.38
assign ( resid   4 and name HN   )
       ( resid   4 and name HG*  ) 0.00 0.00 4.71
assign ( resid   6 and name HN   )
       ( resid   6 and name HG11 ) 0.00 0.00 3.21
assign ( resid  10 and name HB*  )
       ( resid  10 and name HE   ) 0.00 0.00 6.01
assign ( resid   8 and name HA   )
       ( resid   8 and name HD2  ) 0.00 0.00 4.29
assign ( resid   6 and name HG2* )
       ( resid  10 and name HN   ) 0.00 0.00 5.12
assign ( resid   7 and name HG2* )
       ( resid   8 and name HN   ) 0.00 0.00 4.69
assign ( resid   7 and name HG1* )
       ( resid   8 and name HN   ) 0.00 0.00 4.69
assign ( resid   5 and name HN   )
       ( resid   5 and name HD1* ) 0.00 0.00 5.25
assign ( resid   5 and name HN   )
       ( resid   5 and name HD2* ) 0.00 0.00 5.25
assign ( resid  11 and name HN   )
       ( resid  11 and name HD2* ) 0.00 0.00 5.19
assign ( resid  11 and name HN   )
       ( resid  11 and name HD1* ) 0.00 0.00 5.19
assign ( resid   6 and name HN   )
       ( resid   6 and name HG2* ) 0.00 0.00 4.07
assign ( resid   6 and name HN   )
       ( resid   6 and name HD1* ) 0.00 0.00 4.82
assign ( resid   7 and name HN   )
       ( resid   7 and name HG1* ) 0.00 0.00 3.82
assign ( resid   7 and name HN   )
       ( resid   7 and name HG2* ) 0.00 0.00 3.82
assign ( resid  11 and name HA   )
       ( resid  11 and name HB2  ) 0.00 0.00 2.99
assign ( resid   6 and name HA   )
       ( resid   6 and name HB   ) 0.00 0.00 2.77
assign ( resid   6 and name HA   )
       ( resid   9 and name HB1  ) 0.00 0.00 3.27
assign ( resid   6 and name HA   )
       ( resid   9 and name HB2  ) 0.00 0.00 3.27
assign ( resid   7 and name HA   )
       ( resid   7 and name HB   ) 0.00 0.00 2.90
assign ( resid   5 and name HA   )
       ( resid   8 and name HB*  ) 0.00 0.00 3.87
assign ( resid  11 and name HA   )
       ( resid  11 and name HB1  ) 0.00 0.00 2.99
assign ( resid   7 and name HA   )
       ( resid  10 and name HB*  ) 0.00 0.00 3.96
assign ( resid   3 and name HA   )
       ( resid   6 and name HB   ) 0.00 0.00 2.90
assign ( resid   4 and name HA   )
       ( resid   7 and name HB   ) 0.00 0.00 2.83
assign ( resid  11 and name HA   )
       ( resid  11 and name HG   ) 0.00 0.00 3.61
assign ( resid   6 and name HA   )
       ( resid   6 and name HG12 ) 0.00 0.00 3.02
assign ( resid   6 and name HA   )
       ( resid   6 and name HG11 ) 0.00 0.00 3.02
assign ( resid   8 and name HA   )
       ( resid  12 and name HD*  ) 0.00 0.00 6.48
assign ( resid   6 and name HA   )
       ( resid   6 and name HG2* ) 0.00 0.00 3.45
assign ( resid   5 and name HA   )
       ( resid   5 and name HD2* ) 0.00 0.00 4.16
assign ( resid   5 and name HA   )
       ( resid   5 and name HD1* ) 0.00 0.00 4.16
assign ( resid   6 and name HA   )
       ( resid   6 and name HD1* ) 0.00 0.00 4.78
assign ( resid   7 and name HA   )
       ( resid   7 and name HG2* ) 0.00 0.00 3.45
assign ( resid   7 and name HA   )
       ( resid   7 and name HG1* ) 0.00 0.00 3.45
assign ( resid   6 and name HB   )
       ( resid   6 and name HD1* ) 0.00 0.00 3.45
assign ( resid   2 and name HN   )
       ( resid   2 and name HG*  ) 0.00 0.00 3.97
assign ( resid   2 and name HA   )
       ( resid   2 and name HG*  ) 0.00 0.00 3.79
assign ( resid   2 and name HA   )
       ( resid   5 and name HB*  ) 0.00 0.00 4.18
assign ( resid   2 and name HA   )
       ( resid   5 and name HD*  ) 0.00 0.00 6.30
assign ( resid   2 and name HG*  )
       ( resid   3 and name HN   ) 0.00 0.00 4.17
assign ( resid   4 and name HA   )
       ( resid   7 and name HG*  ) 0.00 0.00 5.25
assign ( resid   5 and name HA   )
       ( resid   5 and name HD*  ) 0.00 0.00 3.61
assign ( resid   5 and name HB*  )
       ( resid   6 and name HN   ) 0.00 0.00 2.91
assign ( resid   5 and name HD*  )
       ( resid   9 and name HN   ) 0.00 0.00 6.55
assign ( resid   6 and name HN   )
       ( resid   6 and name HG1* ) 0.00 0.00 2.78
assign ( resid   6 and name HA   )
       ( resid   6 and name HG1* ) 0.00 0.00 2.75
assign ( resid   6 and name HA   )
       ( resid   9 and name HB*  ) 0.00 0.00 3.05
assign ( resid   6 and name HG1* )
       ( resid   7 and name HN   ) 0.00 0.00 5.45
assign ( resid   7 and name HN   )
       ( resid   7 and name HG*  ) 0.00 0.00 3.29
assign ( resid   7 and name HG*  )
       ( resid   8 and name HN   ) 0.00 0.00 4.22
assign ( resid   7 and name HG*  )
       ( resid  10 and name HN   ) 0.00 0.00 7.11
assign ( resid   8 and name HA   )
       ( resid  11 and name HB*  ) 0.00 0.00 4.33
assign ( resid   9 and name HN   )
       ( resid   9 and name HB*  ) 0.00 0.00 2.83
assign ( resid   9 and name HN   )
       ( resid   9 and name HG*  ) 0.00 0.00 3.31
assign ( resid   9 and name HB*  )
       ( resid   9 and name HG*  ) 0.00 0.00 2.44
assign ( resid   9 and name HG*  )
       ( resid  10 and name HN   ) 0.00 0.00 5.18
assign ( resid  10 and name HN   )
       ( resid  10 and name HG*  ) 0.00 0.00 3.31
assign ( resid  10 and name HG*  )
       ( resid  11 and name HN   ) 0.00 0.00 5.18
assign ( resid  11 and name HN   )
       ( resid  11 and name HB*  ) 0.00 0.00 2.92
assign ( resid  11 and name HN   )
       ( resid  11 and name HD*  ) 0.00 0.00 4.87
assign ( resid  11 and name HB*  )
       ( resid  12 and name HN   ) 0.00 0.00 3.21
assign ( resid  12 and name HN   )
       ( resid  12 and name HB*  ) 0.00 0.00 3.06

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1  -3.778  -6.161  -7.985
    2    H2   SER   1           HT2      SER   1  -2.251  -5.874  -8.672
    3    H3   SER   1           HT3      SER   1  -3.369  -4.604  -8.519
    4    HA   SER   1           HA       SER   1  -1.997  -6.037  -6.312
    5    HB2  SER   1           HB2      SER   1  -0.759  -4.064  -5.998
    6    HB3  SER   1           HB1      SER   1  -0.822  -4.212  -7.752
    7    HG   SER   1           HG       SER   1  -1.954  -2.447  -7.818
    8    H    ARG   2           HN       ARG   2  -2.825  -5.734  -4.289
    9    HA   ARG   2           HA       ARG   2  -4.472  -5.386  -2.722
   10    HB2  ARG   2           HB2      ARG   2  -5.147  -2.693  -3.733
   11    HB3  ARG   2           HB1      ARG   2  -4.594  -3.191  -2.134
   12    HG2  ARG   2           HG2      ARG   2  -2.305  -3.607  -3.340
   13    HG3  ARG   2           HG1      ARG   2  -2.967  -2.542  -4.580
   14    HD2  ARG   2           HD2      ARG   2  -3.358  -0.797  -2.894
   15    HD3  ARG   2           HD1      ARG   2  -2.735  -1.860  -1.635
   16    HE   ARG   2           HE       ARG   2  -0.588  -1.334  -2.337
   17   HH11  ARG   2          HH21      ARG   2  -2.918  -0.515  -4.761
   18   HH12  ARG   2          HH22      ARG   2  -1.775   0.289  -5.784
   19   HH21  ARG   2          HH11      ARG   2   0.916  -0.282  -3.674
   20   HH22  ARG   2          HH12      ARG   2   0.396   0.421  -5.169
   21    H    SER   3           HN       SER   3  -5.158  -5.992  -5.713
   22    HA   SER   3           HA       SER   3  -7.785  -5.047  -6.170
   23    HB2  SER   3           HB2      SER   3  -7.909  -6.706  -7.903
   24    HB3  SER   3           HB1      SER   3  -6.261  -6.086  -7.889
   25    HG   SER   3           HG       SER   3  -6.418  -8.092  -6.156
   26    H    GLU   4           HN       GLU   4  -6.571  -7.289  -3.953
   27    HA   GLU   4           HA       GLU   4  -8.924  -8.939  -3.762
   28    HB2  GLU   4           HB2      GLU   4  -6.619  -8.642  -1.823
   29    HB3  GLU   4           HB1      GLU   4  -7.814  -9.940  -1.837
   30    HG2  GLU   4           HG2      GLU   4  -7.050 -10.693  -4.015
   31    HG3  GLU   4           HG1      GLU   4  -5.955  -9.318  -4.148
   32    H    LEU   5           HN       LEU   5  -7.745  -5.992  -2.363
   33    HA   LEU   5           HA       LEU   5  -9.526  -5.959  -0.107
   34    HB2  LEU   5           HB2      LEU   5  -7.247  -4.656  -0.707
   35    HB3  LEU   5           HB1      LEU   5  -8.409  -3.440  -1.206
   36    HG   LEU   5           HG       LEU   5  -8.560  -4.807   1.491
   37   HD11  LEU   5          HD11      LEU   5  -7.206  -2.202   0.757
   38   HD12  LEU   5          HD12      LEU   5  -6.399  -3.669   1.312
   39   HD13  LEU   5          HD13      LEU   5  -7.471  -2.786   2.400
   40   HD21  LEU   5          HD21      LEU   5  -9.741  -2.272   0.312
   41   HD22  LEU   5          HD22      LEU   5  -9.860  -2.714   2.015
   42   HD23  LEU   5          HD23      LEU   5 -10.618  -3.727   0.786
   43    H    ILE   6           HN       ILE   6  -9.329  -4.210  -3.180
   44    HA   ILE   6           HA       ILE   6 -11.702  -2.779  -3.009
   45    HB   ILE   6           HB       ILE   6 -10.338  -3.865  -5.437
   46   HG12  ILE   6          HG12      ILE   6  -9.954  -1.187  -4.080
   47   HG13  ILE   6          HG11      ILE   6  -8.864  -2.556  -3.863
   48   HG21  ILE   6          HG21      ILE   6 -12.525  -3.022  -5.967
   49   HG22  ILE   6          HG22      ILE   6 -11.343  -1.820  -6.484
   50   HG23  ILE   6          HG23      ILE   6 -12.251  -1.579  -4.991
   51   HD11  ILE   6          HD11      ILE   6  -7.960  -1.113  -5.599
   52   HD12  ILE   6          HD12      ILE   6  -9.493  -1.143  -6.470
   53   HD13  ILE   6          HD13      ILE   6  -8.522  -2.610  -6.344
   54    H    VAL   7           HN       VAL   7 -11.043  -6.054  -3.693
   55    HA   VAL   7           HA       VAL   7 -13.458  -6.700  -5.031
   56    HB   VAL   7           HB       VAL   7 -11.019  -7.988  -4.124
   57   HG11  VAL   7          HG11      VAL   7 -12.032 -10.265  -3.933
   58   HG12  VAL   7          HG12      VAL   7 -13.615  -9.498  -3.817
   59   HG13  VAL   7          HG13      VAL   7 -12.394  -9.201  -2.577
   60   HG21  VAL   7          HG21      VAL   7 -13.065  -8.747  -6.219
   61   HG22  VAL   7          HG22      VAL   7 -11.407  -9.342  -6.114
   62   HG23  VAL   7          HG23      VAL   7 -11.714  -7.642  -6.471
   63    H    HIS   8           HN       HIS   8 -12.278  -7.007  -1.772
   64    HA   HIS   8           HA       HIS   8 -14.708  -8.118  -0.725
   65    HB2  HIS   8           HB2      HIS   8 -12.520  -8.554   0.335
   66    HB3  HIS   8           HB1      HIS   8 -12.391  -6.843   0.742
   67    HD2  HIS   8           HD2      HIS   8 -15.646  -9.064   1.270
   68    HE1  HIS   8           HE1      HIS   8 -14.395  -7.542   5.004
   69    HE2  HIS   8           HE2      HIS   8 -16.200  -8.875   3.815
   70    H    GLN   9           HN       GLN   9 -13.275  -4.939  -0.937
   71    HA   GLN   9           HA       GLN   9 -15.111  -3.577   0.725
   72    HB2  GLN   9           HB2      GLN   9 -12.944  -2.967  -1.179
   73    HB3  GLN   9           HB1      GLN   9 -14.146  -1.707  -1.013
   74    HG2  GLN   9           HG2      GLN   9 -13.110  -2.965   1.493
   75    HG3  GLN   9           HG1      GLN   9 -12.038  -1.880   0.621
   76   HE21  GLN   9          HE21      GLN   9 -12.558  -0.753   2.924
   77   HE22  GLN   9          HE22      GLN   9 -13.823   0.378   2.873
   78    H    ARG  10           HN       ARG  10 -15.061  -4.411  -2.703
   79    HA   ARG  10           HA       ARG  10 -17.297  -2.757  -3.385
   80    HB2  ARG  10           HB2      ARG  10 -15.829  -4.974  -4.805
   81    HB3  ARG  10           HB1      ARG  10 -17.260  -4.209  -5.497
   82    HG2  ARG  10           HG2      ARG  10 -15.041  -2.457  -4.485
   83    HG3  ARG  10           HG1      ARG  10 -14.837  -3.270  -6.035
   84    HD2  ARG  10           HD2      ARG  10 -17.404  -1.813  -5.506
   85    HD3  ARG  10           HD1      ARG  10 -15.968  -0.880  -5.917
   86    HE   ARG  10           HE       ARG  10 -16.457  -3.089  -7.715
   87   HH11  ARG  10          HH21      ARG  10 -17.169   0.200  -6.910
   88   HH12  ARG  10          HH22      ARG  10 -17.604   0.647  -8.526
   89   HH21  ARG  10          HH11      ARG  10 -17.026  -2.510  -9.838
   90   HH22  ARG  10          HH12      ARG  10 -17.522  -0.887 -10.184
   91    H    LEU  11           HN       LEU  11 -16.812  -6.111  -2.448
   92    HA   LEU  11           HA       LEU  11 -19.526  -6.886  -2.968
   93    HB2  LEU  11           HB2      LEU  11 -17.099  -8.169  -1.768
   94    HB3  LEU  11           HB1      LEU  11 -18.674  -8.911  -1.534
   95    HG   LEU  11           HG       LEU  11 -17.826  -8.075  -4.295
   96   HD11  LEU  11          HD11      LEU  11 -15.957  -9.419  -3.398
   97   HD12  LEU  11          HD12      LEU  11 -16.838 -10.308  -4.640
   98   HD13  LEU  11          HD13      LEU  11 -17.092 -10.687  -2.936
   99   HD21  LEU  11          HD21      LEU  11 -20.127  -8.807  -4.029
  100   HD22  LEU  11          HD22      LEU  11 -19.614 -10.243  -3.144
  101   HD23  LEU  11          HD23      LEU  11 -19.244 -10.086  -4.860
  102    H    PHE  12           HN       PHE  12 -17.550  -6.200  -0.102
  103    HA   PHE  12           HA       PHE  12 -19.967  -6.267   1.583
  104    HB2  PHE  12           HB2      PHE  12 -18.094  -7.585   2.404
  105    HB3  PHE  12           HB1      PHE  12 -17.028  -6.184   2.304
  106    HD1  PHE  12           HD1      PHE  12 -20.078  -7.511   3.984
  107    HD2  PHE  12           HD2      PHE  12 -16.952  -4.565   4.043
  108    HE1  PHE  12           HE1      PHE  12 -20.778  -6.813   6.258
  109    HE2  PHE  12           HE2      PHE  12 -17.653  -3.867   6.317
  110    HZ   PHE  12           HZ       PHE  12 -19.565  -4.991   7.425
  111    HN1  NH2  13           H1       NH2  13 -17.280  -4.069   0.679
  112    HN2  NH2  13           H2       NH2  13 -18.031  -2.667   1.274
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  -2.125  -7.209  -6.196
    2    H2   SER   1           HT2      SER   1  -2.251  -7.104  -7.887
    3    H3   SER   1           HT3      SER   1  -3.649  -7.044  -6.922
    4    HA   SER   1           HA       SER   1  -1.572  -5.033  -6.462
    5    HB2  SER   1           HB2      SER   1  -1.660  -4.784  -8.798
    6    HB3  SER   1           HB1      SER   1  -3.361  -5.234  -8.876
    7    HG   SER   1           HG       SER   1  -3.849  -3.218  -8.581
    8    H    ARG   2           HN       ARG   2  -2.904  -5.668  -4.421
    9    HA   ARG   2           HA       ARG   2  -4.541  -5.162  -2.887
   10    HB2  ARG   2           HB2      ARG   2  -5.177  -2.555  -4.126
   11    HB3  ARG   2           HB1      ARG   2  -4.642  -2.924  -2.488
   12    HG2  ARG   2           HG2      ARG   2  -2.352  -3.471  -3.634
   13    HG3  ARG   2           HG1      ARG   2  -2.990  -2.508  -4.967
   14    HD2  ARG   2           HD2      ARG   2  -2.707  -1.592  -2.092
   15    HD3  ARG   2           HD1      ARG   2  -1.696  -1.087  -3.443
   16    HE   ARG   2           HE       ARG   2  -4.513  -0.590  -3.862
   17   HH11  ARG   2          HH21      ARG   2  -1.542   0.552  -2.504
   18   HH12  ARG   2          HH22      ARG   2  -1.998   2.222  -2.559
   19   HH21  ARG   2          HH11      ARG   2  -5.118   1.598  -3.936
   20   HH22  ARG   2          HH12      ARG   2  -4.023   2.814  -3.370
   21    H    SER   3           HN       SER   3  -5.234  -5.984  -5.834
   22    HA   SER   3           HA       SER   3  -7.887  -5.061  -6.287
   23    HB2  SER   3           HB2      SER   3  -8.014  -6.916  -7.914
   24    HB3  SER   3           HB1      SER   3  -6.530  -5.986  -8.099
   25    HG   SER   3           HG       SER   3  -6.823  -8.583  -7.580
   26    H    GLU   4           HN       GLU   4  -6.596  -7.224  -4.044
   27    HA   GLU   4           HA       GLU   4  -8.929  -8.914  -3.810
   28    HB2  GLU   4           HB2      GLU   4  -6.483  -8.641  -2.052
   29    HB3  GLU   4           HB1      GLU   4  -7.734  -9.872  -1.867
   30    HG2  GLU   4           HG2      GLU   4  -7.266 -10.667  -4.171
   31    HG3  GLU   4           HG1      GLU   4  -5.977  -9.473  -4.305
   32    H    LEU   5           HN       LEU   5  -7.649  -6.018  -2.365
   33    HA   LEU   5           HA       LEU   5  -9.362  -6.014  -0.061
   34    HB2  LEU   5           HB2      LEU   5  -7.088  -4.727  -0.700
   35    HB3  LEU   5           HB1      LEU   5  -8.245  -3.484  -1.138
   36    HG   LEU   5           HG       LEU   5  -8.365  -4.903   1.531
   37   HD11  LEU   5          HD11      LEU   5  -6.162  -3.846   1.324
   38   HD12  LEU   5          HD12      LEU   5  -7.171  -2.958   2.464
   39   HD13  LEU   5          HD13      LEU   5  -6.924  -2.335   0.832
   40   HD21  LEU   5          HD21      LEU   5  -9.448  -2.276   0.465
   41   HD22  LEU   5          HD22      LEU   5  -9.584  -2.803   2.142
   42   HD23  LEU   5          HD23      LEU   5 -10.389  -3.714   0.864
   43    H    ILE   6           HN       ILE   6  -9.249  -4.221  -3.107
   44    HA   ILE   6           HA       ILE   6 -11.594  -2.753  -2.815
   45    HB   ILE   6           HB       ILE   6 -10.320  -3.783  -5.317
   46   HG12  ILE   6          HG12      ILE   6  -9.854  -1.161  -3.877
   47   HG13  ILE   6          HG11      ILE   6  -8.773  -2.549  -3.760
   48   HG21  ILE   6          HG21      ILE   6 -12.166  -1.468  -4.745
   49   HG22  ILE   6          HG22      ILE   6 -12.524  -2.889  -5.727
   50   HG23  ILE   6          HG23      ILE   6 -11.333  -1.711  -6.279
   51   HD11  ILE   6          HD11      ILE   6  -9.504  -1.065  -6.302
   52   HD12  ILE   6          HD12      ILE   6  -8.482  -2.501  -6.228
   53   HD13  ILE   6          HD13      ILE   6  -7.949  -1.001  -5.470
   54    H    VAL   7           HN       VAL   7 -11.004  -6.018  -3.627
   55    HA   VAL   7           HA       VAL   7 -13.476  -6.583  -4.901
   56    HB   VAL   7           HB       VAL   7 -11.024  -7.938  -4.125
   57   HG11  VAL   7          HG11      VAL   7 -12.366  -9.201  -2.595
   58   HG12  VAL   7          HG12      VAL   7 -12.073 -10.207  -4.012
   59   HG13  VAL   7          HG13      VAL   7 -13.635  -9.417  -3.803
   60   HG21  VAL   7          HG21      VAL   7 -13.132  -8.607  -6.187
   61   HG22  VAL   7          HG22      VAL   7 -11.461  -9.175  -6.165
   62   HG23  VAL   7          HG23      VAL   7 -11.810  -7.467  -6.434
   63    H    HIS   8           HN       HIS   8 -12.182  -7.022  -1.698
   64    HA   HIS   8           HA       HIS   8 -14.552  -8.192  -0.595
   65    HB2  HIS   8           HB2      HIS   8 -12.234  -8.464   0.358
   66    HB3  HIS   8           HB1      HIS   8 -12.335  -6.792   0.908
   67    HD2  HIS   8           HD2      HIS   8 -13.282 -10.246   2.189
   68    HE1  HIS   8           HE1      HIS   8 -15.682  -7.535   4.360
   69    HE2  HIS   8           HE2      HIS   8 -14.883  -9.941   4.230
   70    H    GLN   9           HN       GLN   9 -13.421  -5.003  -1.181
   71    HA   GLN   9           HA       GLN   9 -15.228  -3.671   0.616
   72    HB2  GLN   9           HB2      GLN   9 -13.067  -3.011  -1.291
   73    HB3  GLN   9           HB1      GLN   9 -14.274  -1.768  -1.059
   74    HG2  GLN   9           HG2      GLN   9 -13.304  -3.041   1.434
   75    HG3  GLN   9           HG1      GLN   9 -12.095  -2.121   0.550
   76   HE21  GLN   9          HE21      GLN   9 -12.015  -0.288   1.967
   77   HE22  GLN   9          HE22      GLN   9 -13.343   0.741   2.210
   78    H    ARG  10           HN       ARG  10 -15.090  -4.478  -2.825
   79    HA   ARG  10           HA       ARG  10 -17.322  -2.847  -3.543
   80    HB2  ARG  10           HB2      ARG  10 -17.036  -3.642  -5.715
   81    HB3  ARG  10           HB1      ARG  10 -15.410  -3.766  -5.054
   82    HG2  ARG  10           HG2      ARG  10 -15.523  -5.905  -5.847
   83    HG3  ARG  10           HG1      ARG  10 -16.405  -6.210  -4.356
   84    HD2  ARG  10           HD2      ARG  10 -18.511  -5.518  -5.702
   85    HD3  ARG  10           HD1      ARG  10 -17.502  -5.750  -7.126
   86    HE   ARG  10           HE       ARG  10 -18.586  -7.820  -5.433
   87   HH11  ARG  10          HH21      ARG  10 -16.037  -6.896  -7.582
   88   HH12  ARG  10          HH22      ARG  10 -15.663  -8.518  -8.059
   89   HH21  ARG  10          HH11      ARG  10 -18.102  -9.951  -6.054
   90   HH22  ARG  10          HH12      ARG  10 -16.832 -10.247  -7.193
   91    H    LEU  11           HN       LEU  11 -16.933  -5.989  -2.195
   92    HA   LEU  11           HA       LEU  11 -19.500  -6.998  -2.984
   93    HB2  LEU  11           HB2      LEU  11 -17.281  -7.898  -1.182
   94    HB3  LEU  11           HB1      LEU  11 -18.852  -8.677  -1.077
   95    HG   LEU  11           HG       LEU  11 -17.580  -8.305  -3.774
   96   HD11  LEU  11          HD11      LEU  11 -16.980 -10.584  -1.863
   97   HD12  LEU  11          HD12      LEU  11 -15.838  -9.324  -2.330
   98   HD13  LEU  11          HD13      LEU  11 -16.435 -10.463  -3.536
   99   HD21  LEU  11          HD21      LEU  11 -19.395 -10.404  -2.535
  100   HD22  LEU  11          HD22      LEU  11 -18.819 -10.431  -4.201
  101   HD23  LEU  11          HD23      LEU  11 -19.886  -9.136  -3.659
  102    H    PHE  12           HN       PHE  12 -18.063  -5.637  -0.043
  103    HA   PHE  12           HA       PHE  12 -20.643  -5.689   1.329
  104    HB2  PHE  12           HB2      PHE  12 -17.807  -5.104   2.120
  105    HB3  PHE  12           HB1      PHE  12 -19.129  -4.529   3.133
  106    HD1  PHE  12           HD2      PHE  12 -18.350  -7.660   1.202
  107    HD2  PHE  12           HD1      PHE  12 -19.650  -5.936   4.916
  108    HE1  PHE  12           HE2      PHE  12 -18.590  -9.929   2.171
  109    HE2  PHE  12           HE1      PHE  12 -19.889  -8.205   5.885
  110    HZ   PHE  12           HZ       PHE  12 -19.360 -10.202   4.513
  111    HN1  NH2  13           H1       NH2  13 -18.279  -3.015   1.472
  112    HN2  NH2  13           H2       NH2  13 -19.379  -1.811   1.000
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1  -3.653  -8.442  -7.013
    2    H2   SER   1           HT2      SER   1  -2.295  -8.181  -8.000
    3    H3   SER   1           HT3      SER   1  -3.615  -7.113  -8.066
    4    HA   SER   1           HA       SER   1  -2.189  -7.511  -5.525
    5    HB2  SER   1           HB2      SER   1  -0.486  -7.019  -7.288
    6    HB3  SER   1           HB1      SER   1  -1.383  -5.561  -7.704
    7    HG   SER   1           HG       SER   1   0.398  -5.325  -6.154
    8    H    ARG   2           HN       ARG   2  -2.830  -5.994  -4.042
    9    HA   ARG   2           HA       ARG   2  -4.422  -4.654  -3.041
   10    HB2  ARG   2           HB2      ARG   2  -4.388  -2.360  -3.872
   11    HB3  ARG   2           HB1      ARG   2  -2.763  -3.038  -3.845
   12    HG2  ARG   2           HG2      ARG   2  -2.788  -3.396  -6.226
   13    HG3  ARG   2           HG1      ARG   2  -4.506  -3.006  -6.324
   14    HD2  ARG   2           HD2      ARG   2  -2.314  -1.092  -5.479
   15    HD3  ARG   2           HD1      ARG   2  -3.104  -1.106  -7.054
   16    HE   ARG   2           HE       ARG   2  -4.200  -0.071  -4.580
   17   HH11  ARG   2          HH21      ARG   2  -4.829  -1.345  -7.734
   18   HH12  ARG   2          HH22      ARG   2  -6.376  -0.578  -7.887
   19   HH21  ARG   2          HH11      ARG   2  -6.225   0.940  -4.773
   20   HH22  ARG   2          HH12      ARG   2  -7.164   0.717  -6.211
   21    H    SER   3           HN       SER   3  -5.282  -6.428  -5.336
   22    HA   SER   3           HA       SER   3  -7.755  -5.021  -6.130
   23    HB2  SER   3           HB2      SER   3  -6.445  -5.939  -7.986
   24    HB3  SER   3           HB1      SER   3  -6.484  -7.535  -7.242
   25    HG   SER   3           HG       SER   3  -8.322  -7.777  -8.213
   26    H    GLU   4           HN       GLU   4  -6.582  -7.276  -3.934
   27    HA   GLU   4           HA       GLU   4  -8.930  -8.943  -3.799
   28    HB2  GLU   4           HB2      GLU   4  -6.570  -8.660  -1.927
   29    HB3  GLU   4           HB1      GLU   4  -7.835  -9.881  -1.779
   30    HG2  GLU   4           HG2      GLU   4  -6.126  -9.530  -4.255
   31    HG3  GLU   4           HG1      GLU   4  -5.761 -10.682  -2.973
   32    H    LEU   5           HN       LEU   5  -7.761  -6.020  -2.324
   33    HA   LEU   5           HA       LEU   5  -9.597  -6.033  -0.111
   34    HB2  LEU   5           HB2      LEU   5  -7.293  -4.732  -0.618
   35    HB3  LEU   5           HB1      LEU   5  -8.434  -3.493  -1.103
   36    HG   LEU   5           HG       LEU   5  -8.678  -4.944   1.541
   37   HD11  LEU   5          HD11      LEU   5  -7.089  -2.485   0.817
   38   HD12  LEU   5          HD12      LEU   5  -6.545  -3.918   1.688
   39   HD13  LEU   5          HD13      LEU   5  -7.656  -2.785   2.459
   40   HD21  LEU   5          HD21      LEU   5  -9.968  -2.881   2.110
   41   HD22  LEU   5          HD22      LEU   5 -10.680  -3.774   0.766
   42   HD23  LEU   5          HD23      LEU   5  -9.738  -2.316   0.456
   43    H    ILE   6           HN       ILE   6  -9.315  -4.242  -3.153
   44    HA   ILE   6           HA       ILE   6 -11.661  -2.772  -3.009
   45    HB   ILE   6           HB       ILE   6 -10.330  -3.895  -5.436
   46   HG12  ILE   6          HG12      ILE   6  -9.841  -1.222  -4.108
   47   HG13  ILE   6          HG11      ILE   6  -8.817  -2.631  -3.839
   48   HG21  ILE   6          HG21      ILE   6 -12.460  -2.974  -5.996
   49   HG22  ILE   6          HG22      ILE   6 -11.253  -1.766  -6.438
   50   HG23  ILE   6          HG23      ILE   6 -12.189  -1.577  -4.955
   51   HD11  ILE   6          HD11      ILE   6  -7.764  -1.387  -5.585
   52   HD12  ILE   6          HD12      ILE   6  -9.292  -1.158  -6.437
   53   HD13  ILE   6          HD13      ILE   6  -8.547  -2.756  -6.374
   54    H    VAL   7           HN       VAL   7 -11.045  -6.055  -3.692
   55    HA   VAL   7           HA       VAL   7 -13.475  -6.677  -5.017
   56    HB   VAL   7           HB       VAL   7 -11.038  -7.980  -4.154
   57   HG11  VAL   7          HG11      VAL   7 -12.387  -9.148  -2.537
   58   HG12  VAL   7          HG12      VAL   7 -12.041 -10.244  -3.872
   59   HG13  VAL   7          HG13      VAL   7 -13.626  -9.483  -3.748
   60   HG21  VAL   7          HG21      VAL   7 -11.417  -9.295  -6.124
   61   HG22  VAL   7          HG22      VAL   7 -11.916  -7.642  -6.485
   62   HG23  VAL   7          HG23      VAL   7 -13.130  -8.874  -6.140
   63    H    HIS   8           HN       HIS   8 -12.283  -6.957  -1.764
   64    HA   HIS   8           HA       HIS   8 -14.705  -8.058  -0.684
   65    HB2  HIS   8           HB2      HIS   8 -12.209  -6.916   0.565
   66    HB3  HIS   8           HB1      HIS   8 -13.581  -7.452   1.535
   67    HD2  HIS   8           HD2      HIS   8 -13.923 -10.257   1.666
   68    HE1  HIS   8           HE1      HIS   8 -10.556 -11.250  -0.680
   69    HE2  HIS   8           HE2      HIS   8 -12.376 -12.185   0.824
   70    H    GLN   9           HN       GLN   9 -13.270  -4.883  -0.941
   71    HA   GLN   9           HA       GLN   9 -15.093  -3.496   0.715
   72    HB2  GLN   9           HB2      GLN   9 -12.920  -2.923  -1.183
   73    HB3  GLN   9           HB1      GLN   9 -14.133  -1.666  -1.093
   74    HG2  GLN   9           HG2      GLN   9 -13.233  -2.754   1.520
   75    HG3  GLN   9           HG1      GLN   9 -12.024  -1.859   0.611
   76   HE21  GLN   9          HE21      GLN   9 -14.290  -1.388   2.958
   77   HE22  GLN   9          HE22      GLN   9 -14.701   0.229   2.647
   78    H    ARG  10           HN       ARG  10 -15.101  -4.431  -2.675
   79    HA   ARG  10           HA       ARG  10 -17.317  -2.751  -3.378
   80    HB2  ARG  10           HB2      ARG  10 -15.878  -5.001  -4.775
   81    HB3  ARG  10           HB1      ARG  10 -17.297  -4.221  -5.473
   82    HG2  ARG  10           HG2      ARG  10 -15.066  -2.479  -4.481
   83    HG3  ARG  10           HG1      ARG  10 -14.846  -3.328  -6.009
   84    HD2  ARG  10           HD2      ARG  10 -17.322  -1.697  -5.432
   85    HD3  ARG  10           HD1      ARG  10 -15.877  -0.982  -6.139
   86    HE   ARG  10           HE       ARG  10 -16.788  -3.342  -7.535
   87   HH11  ARG  10          HH21      ARG  10 -17.108   0.080  -7.125
   88   HH12  ARG  10          HH22      ARG  10 -17.726   0.353  -8.719
   89   HH21  ARG  10          HH11      ARG  10 -17.602  -2.991  -9.627
   90   HH22  ARG  10          HH12      ARG  10 -18.008  -1.386 -10.135
   91    H    LEU  11           HN       LEU  11 -16.848  -6.174  -2.609
   92    HA   LEU  11           HA       LEU  11 -19.658  -6.762  -2.919
   93    HB2  LEU  11           HB2      LEU  11 -17.190  -8.327  -2.248
   94    HB3  LEU  11           HB1      LEU  11 -18.779  -9.022  -1.968
   95    HG   LEU  11           HG       LEU  11 -18.101  -7.784  -4.630
   96   HD11  LEU  11          HD11      LEU  11 -17.548 -10.637  -3.759
   97   HD12  LEU  11          HD12      LEU  11 -16.334  -9.427  -4.175
   98   HD13  LEU  11          HD13      LEU  11 -17.430 -10.038  -5.414
   99   HD21  LEU  11          HD21      LEU  11 -19.754  -9.631  -5.326
  100   HD22  LEU  11          HD22      LEU  11 -20.424  -8.291  -4.400
  101   HD23  LEU  11          HD23      LEU  11 -20.087  -9.829  -3.608
  102    H    PHE  12           HN       PHE  12 -17.267  -6.818  -0.280
  103    HA   PHE  12           HA       PHE  12 -19.425  -6.997   1.694
  104    HB2  PHE  12           HB2      PHE  12 -16.785  -7.982   1.567
  105    HB3  PHE  12           HB1      PHE  12 -16.769  -6.758   2.834
  106    HD1  PHE  12           HD1      PHE  12 -18.578  -9.796   1.642
  107    HD2  PHE  12           HD2      PHE  12 -17.758  -7.179   4.949
  108    HE1  PHE  12           HE1      PHE  12 -19.725 -11.372   3.174
  109    HE2  PHE  12           HE2      PHE  12 -18.906  -8.756   6.481
  110    HZ   PHE  12           HZ       PHE  12 -19.889 -10.853   5.593
  111    HN1  NH2  13           H1       NH2  13 -18.337  -4.465   0.031
  112    HN2  NH2  13           H2       NH2  13 -18.299  -3.273   1.238
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1   0.583  -7.086  -5.114
    2    H2   SER   1           HT2      SER   1   0.120  -6.300  -3.681
    3    H3   SER   1           HT3      SER   1   0.353  -5.405  -5.108
    4    HA   SER   1           HA       SER   1  -1.555  -6.302  -6.124
    5    HB2  SER   1           HB2      SER   1  -1.539  -8.202  -3.766
    6    HB3  SER   1           HB1      SER   1  -2.894  -8.048  -4.882
    7    HG   SER   1           HG       SER   1  -0.880  -8.302  -6.439
    8    H    ARG   2           HN       ARG   2  -3.882  -5.992  -5.349
    9    HA   ARG   2           HA       ARG   2  -4.490  -4.852  -2.875
   10    HB2  ARG   2           HB2      ARG   2  -4.639  -2.501  -3.400
   11    HB3  ARG   2           HB1      ARG   2  -2.996  -3.035  -3.750
   12    HG2  ARG   2           HG2      ARG   2  -4.016  -3.498  -6.161
   13    HG3  ARG   2           HG1      ARG   2  -5.191  -2.287  -5.649
   14    HD2  ARG   2           HD2      ARG   2  -3.519  -0.990  -6.663
   15    HD3  ARG   2           HD1      ARG   2  -3.106  -0.890  -4.953
   16    HE   ARG   2           HE       ARG   2  -1.659  -3.027  -5.764
   17   HH11  ARG   2          HH21      ARG   2  -2.123   0.158  -7.034
   18   HH12  ARG   2          HH22      ARG   2  -0.552   0.248  -7.759
   19   HH21  ARG   2          HH11      ARG   2   0.402  -2.919  -6.714
   20   HH22  ARG   2          HH12      ARG   2   0.877  -1.495  -7.578
   21    H    SER   3           HN       SER   3  -5.254  -6.248  -5.603
   22    HA   SER   3           HA       SER   3  -7.831  -5.031  -6.151
   23    HB2  SER   3           HB2      SER   3  -6.362  -6.119  -7.908
   24    HB3  SER   3           HB1      SER   3  -6.783  -7.668  -7.184
   25    HG   SER   3           HG       SER   3  -8.237  -7.229  -8.823
   26    H    GLU   4           HN       GLU   4  -6.571  -7.354  -4.024
   27    HA   GLU   4           HA       GLU   4  -8.945  -8.948  -3.740
   28    HB2  GLU   4           HB2      GLU   4  -6.416  -8.696  -2.107
   29    HB3  GLU   4           HB1      GLU   4  -7.739  -9.778  -1.664
   30    HG2  GLU   4           HG2      GLU   4  -6.506  -9.845  -4.420
   31    HG3  GLU   4           HG1      GLU   4  -5.823 -10.770  -3.084
   32    H    LEU   5           HN       LEU   5  -7.718  -5.997  -2.440
   33    HA   LEU   5           HA       LEU   5  -9.395  -5.944  -0.098
   34    HB2  LEU   5           HB2      LEU   5  -7.117  -4.675  -0.774
   35    HB3  LEU   5           HB1      LEU   5  -8.268  -3.450  -1.265
   36    HG   LEU   5           HG       LEU   5  -7.659  -3.007   1.030
   37   HD11  LEU   5          HD11      LEU   5  -9.804  -2.852   1.971
   38   HD12  LEU   5          HD12      LEU   5 -10.332  -4.378   1.263
   39   HD13  LEU   5          HD13      LEU   5 -10.135  -2.954   0.242
   40   HD21  LEU   5          HD21      LEU   5  -7.443  -4.598   2.680
   41   HD22  LEU   5          HD22      LEU   5  -7.147  -5.643   1.293
   42   HD23  LEU   5          HD23      LEU   5  -8.744  -5.601   2.042
   43    H    ILE   6           HN       ILE   6  -9.275  -4.196  -3.170
   44    HA   ILE   6           HA       ILE   6 -11.650  -2.760  -2.904
   45    HB   ILE   6           HB       ILE   6 -10.339  -3.743  -5.401
   46   HG12  ILE   6          HG12      ILE   6  -9.823  -1.172  -3.883
   47   HG13  ILE   6          HG11      ILE   6  -8.771  -2.586  -3.807
   48   HG21  ILE   6          HG21      ILE   6 -11.310  -1.659  -6.341
   49   HG22  ILE   6          HG22      ILE   6 -12.103  -1.370  -4.791
   50   HG23  ILE   6          HG23      ILE   6 -12.542  -2.777  -5.758
   51   HD11  ILE   6          HD11      ILE   6  -7.909  -1.003  -5.465
   52   HD12  ILE   6          HD12      ILE   6  -9.461  -1.009  -6.304
   53   HD13  ILE   6          HD13      ILE   6  -8.469  -2.467  -6.271
   54    H    VAL   7           HN       VAL   7 -10.989  -6.010  -3.687
   55    HA   VAL   7           HA       VAL   7 -13.372  -6.641  -5.071
   56    HB   VAL   7           HB       VAL   7 -10.985  -7.964  -4.029
   57   HG11  VAL   7          HG11      VAL   7 -12.063 -10.231  -4.096
   58   HG12  VAL   7          HG12      VAL   7 -13.624  -9.415  -4.035
   59   HG13  VAL   7          HG13      VAL   7 -12.485  -9.246  -2.697
   60   HG21  VAL   7          HG21      VAL   7 -11.224  -9.233  -6.120
   61   HG22  VAL   7          HG22      VAL   7 -11.390  -7.500  -6.408
   62   HG23  VAL   7          HG23      VAL   7 -12.823  -8.528  -6.365
   63    H    HIS   8           HN       HIS   8 -12.256  -7.004  -1.793
   64    HA   HIS   8           HA       HIS   8 -14.689  -8.142  -0.796
   65    HB2  HIS   8           HB2      HIS   8 -12.321  -8.342   0.210
   66    HB3  HIS   8           HB1      HIS   8 -12.630  -6.749   0.901
   67    HD2  HIS   8           HD2      HIS   8 -14.684 -10.182   0.904
   68    HE1  HIS   8           HE1      HIS   8 -15.079  -8.299   4.661
   69    HE2  HIS   8           HE2      HIS   8 -15.715 -10.344   3.296
   70    H    GLN   9           HN       GLN   9 -13.281  -4.943  -0.902
   71    HA   GLN   9           HA       GLN   9 -15.174  -3.610   0.702
   72    HB2  GLN   9           HB2      GLN   9 -12.977  -2.974  -1.153
   73    HB3  GLN   9           HB1      GLN   9 -14.208  -1.736  -1.048
   74    HG2  GLN   9           HG2      GLN   9 -13.258  -2.903   1.527
   75    HG3  GLN   9           HG1      GLN   9 -12.136  -1.868   0.659
   76   HE21  GLN   9          HE21      GLN   9 -12.289   0.260   1.354
   77   HE22  GLN   9          HE22      GLN   9 -13.722   1.024   1.850
   78    H    ARG  10           HN       ARG  10 -15.076  -4.508  -2.693
   79    HA   ARG  10           HA       ARG  10 -17.297  -2.874  -3.461
   80    HB2  ARG  10           HB2      ARG  10 -15.772  -5.106  -4.785
   81    HB3  ARG  10           HB1      ARG  10 -17.224  -4.428  -5.521
   82    HG2  ARG  10           HG2      ARG  10 -15.159  -2.488  -4.571
   83    HG3  ARG  10           HG1      ARG  10 -14.772  -3.428  -6.010
   84    HD2  ARG  10           HD2      ARG  10 -15.867  -1.334  -6.650
   85    HD3  ARG  10           HD1      ARG  10 -16.900  -2.705  -7.048
   86    HE   ARG  10           HE       ARG  10 -17.373  -1.413  -4.463
   87   HH11  ARG  10          HH21      ARG  10 -18.216  -1.807  -7.799
   88   HH12  ARG  10          HH22      ARG  10 -19.820  -1.182  -7.608
   89   HH21  ARG  10          HH11      ARG  10 -19.473  -0.594  -4.209
   90   HH22  ARG  10          HH12      ARG  10 -20.532  -0.497  -5.577
   91    H    LEU  11           HN       LEU  11 -16.864  -6.083  -2.188
   92    HA   LEU  11           HA       LEU  11 -19.435  -7.083  -2.909
   93    HB2  LEU  11           HB2      LEU  11 -17.197  -7.944  -1.116
   94    HB3  LEU  11           HB1      LEU  11 -18.769  -8.717  -0.948
   95    HG   LEU  11           HG       LEU  11 -17.593  -8.420  -3.694
   96   HD11  LEU  11          HD11      LEU  11 -16.550 -10.715  -3.329
   97   HD12  LEU  11          HD12      LEU  11 -16.765 -10.442  -1.600
   98   HD13  LEU  11          HD13      LEU  11 -15.724  -9.372  -2.539
   99   HD21  LEU  11          HD21      LEU  11 -18.971 -10.279  -4.194
  100   HD22  LEU  11          HD22      LEU  11 -19.947  -9.329  -3.075
  101   HD23  LEU  11          HD23      LEU  11 -19.090 -10.759  -2.500
  102    H    PHE  12           HN       PHE  12 -18.048  -5.450  -0.117
  103    HA   PHE  12           HA       PHE  12 -20.655  -5.519   1.260
  104    HB2  PHE  12           HB2      PHE  12 -17.815  -5.140   2.130
  105    HB3  PHE  12           HB1      PHE  12 -19.098  -4.418   3.095
  106    HD1  PHE  12           HD1      PHE  12 -20.772  -5.813   4.227
  107    HD2  PHE  12           HD2      PHE  12 -17.595  -7.560   1.924
  108    HE1  PHE  12           HE1      PHE  12 -21.248  -8.023   5.246
  109    HE2  PHE  12           HE2      PHE  12 -18.071  -9.770   2.944
  110    HZ   PHE  12           HZ       PHE  12 -19.898 -10.001   4.605
  111    HN1  NH2  13           H1       NH2  13 -18.872  -3.459  -0.770
  112    HN2  NH2  13           H2       NH2  13 -19.595  -1.992  -0.314
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   0.345  -6.651  -5.984
    2    H2   SER   1           HT2      SER   1   0.134  -5.133  -5.254
    3    H3   SER   1           HT3      SER   1  -0.814  -5.572  -6.593
    4    HA   SER   1           HA       SER   1  -2.009  -7.175  -5.370
    5    HB2  SER   1           HB2      SER   1  -1.381  -7.527  -2.930
    6    HB3  SER   1           HB1      SER   1  -0.240  -8.180  -4.101
    7    HG   SER   1           HG       SER   1   0.003  -6.055  -2.337
    8    H    ARG   2           HN       ARG   2  -3.860  -6.109  -5.094
    9    HA   ARG   2           HA       ARG   2  -4.505  -4.500  -2.960
   10    HB2  ARG   2           HB2      ARG   2  -4.701  -2.275  -4.310
   11    HB3  ARG   2           HB1      ARG   2  -3.149  -2.711  -3.598
   12    HG2  ARG   2           HG2      ARG   2  -2.194  -3.232  -5.642
   13    HG3  ARG   2           HG1      ARG   2  -3.734  -3.700  -6.361
   14    HD2  ARG   2           HD2      ARG   2  -3.151  -0.837  -5.608
   15    HD3  ARG   2           HD1      ARG   2  -2.679  -1.495  -7.173
   16    HE   ARG   2           HE       ARG   2  -5.468  -1.906  -6.453
   17   HH11  ARG   2          HH21      ARG   2  -3.090   0.067  -8.010
   18   HH12  ARG   2          HH22      ARG   2  -4.225   0.847  -9.061
   19   HH21  ARG   2          HH11      ARG   2  -6.961  -0.890  -7.827
   20   HH22  ARG   2          HH12      ARG   2  -6.417   0.305  -8.957
   21    H    SER   3           HN       SER   3  -5.234  -6.275  -5.462
   22    HA   SER   3           HA       SER   3  -7.783  -5.007  -6.174
   23    HB2  SER   3           HB2      SER   3  -6.655  -7.602  -7.227
   24    HB3  SER   3           HB1      SER   3  -7.937  -6.623  -7.931
   25    HG   SER   3           HG       SER   3  -6.215  -5.954  -9.030
   26    H    GLU   4           HN       GLU   4  -6.542  -7.235  -3.970
   27    HA   GLU   4           HA       GLU   4  -8.868  -8.925  -3.787
   28    HB2  GLU   4           HB2      GLU   4  -6.463  -9.579  -3.186
   29    HB3  GLU   4           HB1      GLU   4  -6.707  -8.652  -1.705
   30    HG2  GLU   4           HG2      GLU   4  -7.310 -10.869  -1.121
   31    HG3  GLU   4           HG1      GLU   4  -8.847 -10.048  -1.388
   32    H    LEU   5           HN       LEU   5  -7.702  -5.992  -2.333
   33    HA   LEU   5           HA       LEU   5  -9.494  -6.002  -0.087
   34    HB2  LEU   5           HB2      LEU   5  -7.221  -4.680  -0.650
   35    HB3  LEU   5           HB1      LEU   5  -8.380  -3.462  -1.152
   36    HG   LEU   5           HG       LEU   5  -8.595  -4.849   1.528
   37   HD11  LEU   5          HD11      LEU   5  -6.407  -3.802   1.470
   38   HD12  LEU   5          HD12      LEU   5  -7.485  -2.822   2.463
   39   HD13  LEU   5          HD13      LEU   5  -7.097  -2.316   0.818
   40   HD21  LEU   5          HD21      LEU   5  -9.651  -2.245   0.379
   41   HD22  LEU   5          HD22      LEU   5  -9.852  -2.747   2.059
   42   HD23  LEU   5          HD23      LEU   5 -10.597  -3.684   0.763
   43    H    ILE   6           HN       ILE   6  -9.298  -4.213  -3.134
   44    HA   ILE   6           HA       ILE   6 -11.679  -2.794  -2.948
   45    HB   ILE   6           HB       ILE   6 -10.321  -3.835  -5.398
   46   HG12  ILE   6          HG12      ILE   6  -9.894  -1.182  -4.008
   47   HG13  ILE   6          HG11      ILE   6  -8.836  -2.573  -3.775
   48   HG21  ILE   6          HG21      ILE   6 -11.312  -1.792  -6.416
   49   HG22  ILE   6          HG22      ILE   6 -12.160  -1.497  -4.898
   50   HG23  ILE   6          HG23      ILE   6 -12.526  -2.938  -5.848
   51   HD11  ILE   6          HD11      ILE   6  -9.430  -1.246  -6.437
   52   HD12  ILE   6          HD12      ILE   6  -8.365  -2.630  -6.193
   53   HD13  ILE   6          HD13      ILE   6  -7.941  -1.061  -5.511
   54    H    VAL   7           HN       VAL   7 -11.000  -6.054  -3.668
   55    HA   VAL   7           HA       VAL   7 -13.390  -6.709  -5.040
   56    HB   VAL   7           HB       VAL   7 -10.961  -7.988  -4.085
   57   HG11  VAL   7          HG11      VAL   7 -11.971 -10.270  -3.946
   58   HG12  VAL   7          HG12      VAL   7 -13.558  -9.509  -3.862
   59   HG13  VAL   7          HG13      VAL   7 -12.370  -9.222  -2.588
   60   HG21  VAL   7          HG21      VAL   7 -12.943  -8.746  -6.239
   61   HG22  VAL   7          HG22      VAL   7 -11.279  -9.315  -6.099
   62   HG23  VAL   7          HG23      VAL   7 -11.605  -7.617  -6.446
   63    H    HIS   8           HN       HIS   8 -12.261  -6.996  -1.762
   64    HA   HIS   8           HA       HIS   8 -14.693  -8.145  -0.751
   65    HB2  HIS   8           HB2      HIS   8 -12.439  -8.492   0.297
   66    HB3  HIS   8           HB1      HIS   8 -12.482  -6.807   0.816
   67    HD2  HIS   8           HD2      HIS   8 -14.842  -6.255   2.561
   68    HE1  HIS   8           HE1      HIS   8 -15.058 -10.272   3.843
   69    HE2  HIS   8           HE2      HIS   8 -15.853  -7.907   4.314
   70    H    GLN   9           HN       GLN   9 -13.300  -4.952  -0.956
   71    HA   GLN   9           HA       GLN   9 -15.179  -3.607   0.682
   72    HB2  GLN   9           HB2      GLN   9 -12.965  -2.983  -1.154
   73    HB3  GLN   9           HB1      GLN   9 -14.195  -1.740  -1.067
   74    HG2  GLN   9           HG2      GLN   9 -13.327  -2.873   1.540
   75    HG3  GLN   9           HG1      GLN   9 -12.121  -1.932   0.673
   76   HE21  GLN   9          HE21      GLN   9 -15.612  -1.286   0.447
   77   HE22  GLN   9          HE22      GLN   9 -15.554   0.211   1.243
   78    H    ARG  10           HN       ARG  10 -15.081  -4.514  -2.709
   79    HA   ARG  10           HA       ARG  10 -17.239  -2.836  -3.528
   80    HB2  ARG  10           HB2      ARG  10 -15.800  -5.178  -4.751
   81    HB3  ARG  10           HB1      ARG  10 -17.251  -4.520  -5.507
   82    HG2  ARG  10           HG2      ARG  10 -15.151  -2.557  -4.695
   83    HG3  ARG  10           HG1      ARG  10 -14.784  -3.590  -6.076
   84    HD2  ARG  10           HD2      ARG  10 -15.872  -1.500  -6.804
   85    HD3  ARG  10           HD1      ARG  10 -16.878  -2.897  -7.167
   86    HE   ARG  10           HE       ARG  10 -18.397  -2.202  -5.503
   87   HH11  ARG  10          HH21      ARG  10 -15.553  -0.226  -5.638
   88   HH12  ARG  10          HH22      ARG  10 -16.223   1.040  -4.665
   89   HH21  ARG  10          HH11      ARG  10 -19.274  -0.544  -4.228
   90   HH22  ARG  10          HH12      ARG  10 -18.327   0.861  -3.867
   91    H    LEU  11           HN       LEU  11 -16.919  -6.147  -2.394
   92    HA   LEU  11           HA       LEU  11 -19.665  -6.823  -2.867
   93    HB2  LEU  11           HB2      LEU  11 -17.303  -8.131  -1.573
   94    HB3  LEU  11           HB1      LEU  11 -18.909  -8.777  -1.275
   95    HG   LEU  11           HG       LEU  11 -18.000  -8.204  -4.089
   96   HD11  LEU  11          HD11      LEU  11 -17.531 -10.772  -2.542
   97   HD12  LEU  11          HD12      LEU  11 -16.274  -9.639  -3.042
   98   HD13  LEU  11          HD13      LEU  11 -17.199 -10.522  -4.257
   99   HD21  LEU  11          HD21      LEU  11 -19.569 -10.195  -4.467
  100   HD22  LEU  11          HD22      LEU  11 -20.334  -8.708  -3.913
  101   HD23  LEU  11          HD23      LEU  11 -20.038 -10.023  -2.777
  102    H    PHE  12           HN       PHE  12 -17.695  -5.837  -0.104
  103    HA   PHE  12           HA       PHE  12 -20.183  -5.374   1.429
  104    HB2  PHE  12           HB2      PHE  12 -17.824  -6.988   2.115
  105    HB3  PHE  12           HB1      PHE  12 -18.258  -5.818   3.358
  106    HD1  PHE  12           HD2      PHE  12 -20.677  -5.756   4.183
  107    HD2  PHE  12           HD1      PHE  12 -19.094  -8.964   1.802
  108    HE1  PHE  12           HE2      PHE  12 -22.551  -7.214   4.900
  109    HE2  PHE  12           HE1      PHE  12 -20.969 -10.421   2.521
  110    HZ   PHE  12           HZ       PHE  12 -22.697  -9.545   4.069
  111    HN1  NH2  13           H1       NH2  13 -20.231  -3.096   1.110
  112    HN2  NH2  13           H2       NH2  13 -18.990  -2.066   1.639
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  -1.309  -4.574  -8.245
    2    H2   SER   1           HT2      SER   1  -2.641  -3.688  -7.671
    3    H3   SER   1           HT3      SER   1  -2.885  -5.116  -8.560
    4    HA   SER   1           HA       SER   1  -2.467  -6.469  -6.822
    5    HB2  SER   1           HB2      SER   1  -0.671  -4.296  -5.706
    6    HB3  SER   1           HB1      SER   1  -0.848  -5.923  -5.055
    7    HG   SER   1           HG       SER   1   0.420  -5.027  -7.379
    8    H    ARG   2           HN       ARG   2  -2.662  -6.085  -4.182
    9    HA   ARG   2           HA       ARG   2  -4.222  -5.609  -2.563
   10    HB2  ARG   2           HB2      ARG   2  -4.636  -2.838  -3.527
   11    HB3  ARG   2           HB1      ARG   2  -4.174  -3.419  -1.927
   12    HG2  ARG   2           HG2      ARG   2  -1.917  -4.057  -3.113
   13    HG3  ARG   2           HG1      ARG   2  -2.437  -2.880  -4.320
   14    HD2  ARG   2           HD2      ARG   2  -1.737  -2.447  -1.436
   15    HD3  ARG   2           HD1      ARG   2  -1.246  -1.521  -2.852
   16    HE   ARG   2           HE       ARG   2  -3.943  -1.124  -2.742
   17   HH11  ARG   2          HH21      ARG   2  -1.333  -0.844  -0.487
   18   HH12  ARG   2          HH22      ARG   2  -2.066   0.439   0.414
   19   HH21  ARG   2          HH11      ARG   2  -4.913   0.559  -1.563
   20   HH22  ARG   2          HH12      ARG   2  -4.092   1.234  -0.195
   21    H    SER   3           HN       SER   3  -5.009  -5.995  -5.592
   22    HA   SER   3           HA       SER   3  -7.567  -4.836  -5.908
   23    HB2  SER   3           HB2      SER   3  -6.689  -7.464  -7.100
   24    HB3  SER   3           HB1      SER   3  -7.859  -6.319  -7.751
   25    HG   SER   3           HG       SER   3  -5.573  -6.326  -8.579
   26    H    GLU   4           HN       GLU   4  -6.446  -7.458  -4.020
   27    HA   GLU   4           HA       GLU   4  -8.872  -8.933  -3.831
   28    HB2  GLU   4           HB2      GLU   4  -7.822  -9.985  -1.859
   29    HB3  GLU   4           HB1      GLU   4  -6.712  -9.930  -3.229
   30    HG2  GLU   4           HG2      GLU   4  -5.791  -7.775  -2.271
   31    HG3  GLU   4           HG1      GLU   4  -6.753  -8.088  -0.828
   32    H    LEU   5           HN       LEU   5  -7.746  -6.001  -2.444
   33    HA   LEU   5           HA       LEU   5  -9.514  -6.019  -0.162
   34    HB2  LEU   5           HB2      LEU   5  -7.217  -4.717  -0.740
   35    HB3  LEU   5           HB1      LEU   5  -8.378  -3.480  -1.188
   36    HG   LEU   5           HG       LEU   5  -8.563  -4.931   1.459
   37   HD11  LEU   5          HD11      LEU   5  -7.060  -2.379   0.831
   38   HD12  LEU   5          HD12      LEU   5  -6.342  -3.909   1.336
   39   HD13  LEU   5          HD13      LEU   5  -7.370  -3.007   2.449
   40   HD21  LEU   5          HD21      LEU   5  -9.837  -2.924   2.089
   41   HD22  LEU   5          HD22      LEU   5 -10.534  -3.658   0.645
   42   HD23  LEU   5          HD23      LEU   5  -9.529  -2.215   0.503
   43    H    ILE   6           HN       ILE   6  -9.278  -4.212  -3.204
   44    HA   ILE   6           HA       ILE   6 -11.653  -2.781  -3.030
   45    HB   ILE   6           HB       ILE   6 -10.256  -3.817  -5.463
   46   HG12  ILE   6          HG12      ILE   6  -9.898  -1.162  -4.054
   47   HG13  ILE   6          HG11      ILE   6  -8.813  -2.533  -3.833
   48   HG21  ILE   6          HG21      ILE   6 -11.249  -1.752  -6.481
   49   HG22  ILE   6          HG22      ILE   6 -12.179  -1.543  -4.996
   50   HG23  ILE   6          HG23      ILE   6 -12.438  -2.966  -6.007
   51   HD11  ILE   6          HD11      ILE   6  -8.432  -0.617  -5.722
   52   HD12  ILE   6          HD12      ILE   6  -9.364  -1.789  -6.654
   53   HD13  ILE   6          HD13      ILE   6  -7.849  -2.273  -5.888
   54    H    VAL   7           HN       VAL   7 -10.982  -6.040  -3.767
   55    HA   VAL   7           HA       VAL   7 -13.377  -6.670  -5.152
   56    HB   VAL   7           HB       VAL   7 -10.940  -7.960  -4.249
   57   HG11  VAL   7          HG11      VAL   7 -12.311  -9.211  -2.732
   58   HG12  VAL   7          HG12      VAL   7 -11.935 -10.247  -4.107
   59   HG13  VAL   7          HG13      VAL   7 -13.525  -9.495  -3.981
   60   HG21  VAL   7          HG21      VAL   7 -11.292  -9.270  -6.266
   61   HG22  VAL   7          HG22      VAL   7 -11.635  -7.571  -6.594
   62   HG23  VAL   7          HG23      VAL   7 -12.962  -8.712  -6.366
   63    H    HIS   8           HN       HIS   8 -12.236  -7.043  -1.886
   64    HA   HIS   8           HA       HIS   8 -14.665  -8.201  -0.890
   65    HB2  HIS   8           HB2      HIS   8 -12.536  -8.665   0.217
   66    HB3  HIS   8           HB1      HIS   8 -12.337  -6.951   0.582
   67    HD2  HIS   8           HD2      HIS   8 -14.456  -5.935   2.389
   68    HE1  HIS   8           HE1      HIS   8 -15.259  -9.768   3.960
   69    HE2  HIS   8           HE2      HIS   8 -15.635  -7.279   4.290
   70    H    GLN   9           HN       GLN   9 -13.300  -5.000  -1.084
   71    HA   GLN   9           HA       GLN   9 -15.144  -3.679   0.608
   72    HB2  GLN   9           HB2      GLN   9 -12.994  -3.029  -1.292
   73    HB3  GLN   9           HB1      GLN   9 -14.227  -1.796  -1.159
   74    HG2  GLN   9           HG2      GLN   9 -13.254  -2.950   1.407
   75    HG3  GLN   9           HG1      GLN   9 -12.105  -1.965   0.512
   76   HE21  GLN   9          HE21      GLN   9 -12.670   0.323   0.140
   77   HE22  GLN   9          HE22      GLN   9 -13.861   1.080   1.082
   78    H    ARG  10           HN       ARG  10 -15.153  -4.592  -2.778
   79    HA   ARG  10           HA       ARG  10 -17.304  -2.920  -3.588
   80    HB2  ARG  10           HB2      ARG  10 -15.993  -5.377  -4.724
   81    HB3  ARG  10           HB1      ARG  10 -17.455  -4.723  -5.460
   82    HG2  ARG  10           HG2      ARG  10 -15.223  -2.818  -4.856
   83    HG3  ARG  10           HG1      ARG  10 -15.033  -3.904  -6.233
   84    HD2  ARG  10           HD2      ARG  10 -17.194  -3.125  -7.142
   85    HD3  ARG  10           HD1      ARG  10 -17.371  -2.028  -5.775
   86    HE   ARG  10           HE       ARG  10 -15.553  -1.711  -8.040
   87   HH11  ARG  10          HH21      ARG  10 -16.530  -0.754  -4.861
   88   HH12  ARG  10          HH22      ARG  10 -15.766   0.797  -4.943
   89   HH21  ARG  10          HH11      ARG  10 -14.546   0.322  -8.152
   90   HH22  ARG  10          HH12      ARG  10 -14.639   1.406  -6.804
   91    H    LEU  11           HN       LEU  11 -17.047  -6.106  -2.169
   92    HA   LEU  11           HA       LEU  11 -19.807  -6.786  -2.551
   93    HB2  LEU  11           HB2      LEU  11 -17.456  -7.986  -1.134
   94    HB3  LEU  11           HB1      LEU  11 -19.073  -8.580  -0.782
   95    HG   LEU  11           HG       LEU  11 -18.214  -8.284  -3.646
   96   HD11  LEU  11          HD11      LEU  11 -17.452 -10.522  -1.752
   97   HD12  LEU  11          HD12      LEU  11 -16.376  -9.539  -2.744
   98   HD13  LEU  11          HD13      LEU  11 -17.457 -10.705  -3.505
   99   HD21  LEU  11          HD21      LEU  11 -20.552  -8.848  -3.162
  100   HD22  LEU  11          HD22      LEU  11 -20.039 -10.195  -2.145
  101   HD23  LEU  11          HD23      LEU  11 -19.746 -10.240  -3.883
  102    H    PHE  12           HN       PHE  12 -17.784  -5.659   0.133
  103    HA   PHE  12           HA       PHE  12 -20.055  -5.537   1.945
  104    HB2  PHE  12           HB2      PHE  12 -17.107  -4.997   2.168
  105    HB3  PHE  12           HB1      PHE  12 -18.209  -4.425   3.416
  106    HD1  PHE  12           HD1      PHE  12 -17.488  -7.521   1.421
  107    HD2  PHE  12           HD2      PHE  12 -18.727  -5.865   5.187
  108    HE1  PHE  12           HE1      PHE  12 -17.549  -9.797   2.403
  109    HE2  PHE  12           HE2      PHE  12 -18.790  -8.141   6.168
  110    HZ   PHE  12           HZ       PHE  12 -18.201 -10.108   4.776
  111    HN1  NH2  13           H1       NH2  13 -20.916  -3.530   2.802
  112    HN2  NH2  13           H2       NH2  13 -20.669  -2.049   2.008
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1  -0.807  -5.016  -7.016
    2    H2   SER   1           HT2      SER   1   0.306  -4.439  -5.871
    3    H3   SER   1           HT3      SER   1  -1.279  -3.827  -5.902
    4    HA   SER   1           HA       SER   1  -1.616  -6.528  -5.635
    5    HB2  SER   1           HB2      SER   1   0.871  -6.536  -5.099
    6    HB3  SER   1           HB1      SER   1   0.487  -5.569  -3.678
    7    HG   SER   1           HG       SER   1  -0.571  -8.126  -4.330
    8    H    ARG   2           HN       ARG   2  -3.654  -5.679  -5.190
    9    HA   ARG   2           HA       ARG   2  -4.367  -5.275  -2.553
   10    HB2  ARG   2           HB2      ARG   2  -5.049  -2.789  -2.794
   11    HB3  ARG   2           HB1      ARG   2  -3.365  -3.157  -2.430
   12    HG2  ARG   2           HG2      ARG   2  -2.650  -2.683  -4.613
   13    HG3  ARG   2           HG1      ARG   2  -4.261  -2.910  -5.292
   14    HD2  ARG   2           HD2      ARG   2  -5.022  -0.828  -4.493
   15    HD3  ARG   2           HD1      ARG   2  -3.717  -0.698  -3.319
   16    HE   ARG   2           HE       ARG   2  -3.575  -0.045  -6.156
   17   HH11  ARG   2          HH21      ARG   2  -1.922  -0.721  -3.192
   18   HH12  ARG   2          HH22      ARG   2  -0.457   0.070  -3.668
   19   HH21  ARG   2          HH11      ARG   2  -1.656   0.994  -6.787
   20   HH22  ARG   2          HH12      ARG   2  -0.306   1.041  -5.704
   21    H    SER   3           HN       SER   3  -5.014  -6.007  -5.535
   22    HA   SER   3           HA       SER   3  -7.600  -4.908  -6.025
   23    HB2  SER   3           HB2      SER   3  -6.541  -7.521  -7.104
   24    HB3  SER   3           HB1      SER   3  -7.747  -6.463  -7.831
   25    HG   SER   3           HG       SER   3  -6.198  -5.049  -8.371
   26    H    GLU   4           HN       GLU   4  -6.438  -7.367  -3.974
   27    HA   GLU   4           HA       GLU   4  -8.842  -8.921  -3.831
   28    HB2  GLU   4           HB2      GLU   4  -6.369  -8.764  -2.107
   29    HB3  GLU   4           HB1      GLU   4  -7.726  -9.826  -1.727
   30    HG2  GLU   4           HG2      GLU   4  -6.349  -9.844  -4.419
   31    HG3  GLU   4           HG1      GLU   4  -5.844 -10.882  -3.088
   32    H    LEU   5           HN       LEU   5  -7.700  -5.998  -2.445
   33    HA   LEU   5           HA       LEU   5  -9.433  -6.015  -0.136
   34    HB2  LEU   5           HB2      LEU   5  -7.148  -4.716  -0.717
   35    HB3  LEU   5           HB1      LEU   5  -8.293  -3.489  -1.223
   36    HG   LEU   5           HG       LEU   5  -7.749  -3.094   1.104
   37   HD11  LEU   5          HD11      LEU   5  -9.931  -2.950   1.972
   38   HD12  LEU   5          HD12      LEU   5 -10.442  -4.448   1.194
   39   HD13  LEU   5          HD13      LEU   5 -10.191  -2.994   0.229
   40   HD21  LEU   5          HD21      LEU   5  -8.898  -5.678   2.049
   41   HD22  LEU   5          HD22      LEU   5  -7.578  -4.721   2.716
   42   HD23  LEU   5          HD23      LEU   5  -7.293  -5.757   1.321
   43    H    ILE   6           HN       ILE   6  -9.246  -4.222  -3.178
   44    HA   ILE   6           HA       ILE   6 -11.624  -2.791  -2.962
   45    HB   ILE   6           HB       ILE   6 -10.228  -3.777  -5.414
   46   HG12  ILE   6          HG12      ILE   6  -9.880  -1.157  -3.936
   47   HG13  ILE   6          HG11      ILE   6  -8.776  -2.524  -3.783
   48   HG21  ILE   6          HG21      ILE   6 -11.240  -1.705  -6.397
   49   HG22  ILE   6          HG22      ILE   6 -12.159  -1.518  -4.903
   50   HG23  ILE   6          HG23      ILE   6 -12.422  -2.929  -5.930
   51   HD11  ILE   6          HD11      ILE   6  -7.942  -0.904  -5.447
   52   HD12  ILE   6          HD12      ILE   6  -9.437  -1.078  -6.366
   53   HD13  ILE   6          HD13      ILE   6  -8.335  -2.446  -6.209
   54    H    VAL   7           HN       VAL   7 -10.956  -6.040  -3.750
   55    HA   VAL   7           HA       VAL   7 -13.337  -6.644  -5.160
   56    HB   VAL   7           HB       VAL   7 -10.925  -7.962  -4.222
   57   HG11  VAL   7          HG11      VAL   7 -12.343  -9.213  -2.747
   58   HG12  VAL   7          HG12      VAL   7 -11.948 -10.240  -4.122
   59   HG13  VAL   7          HG13      VAL   7 -13.532  -9.473  -4.025
   60   HG21  VAL   7          HG21      VAL   7 -11.231  -9.234  -6.263
   61   HG22  VAL   7          HG22      VAL   7 -11.592  -7.537  -6.580
   62   HG23  VAL   7          HG23      VAL   7 -12.907  -8.698  -6.385
   63    H    HIS   8           HN       HIS   8 -12.248  -7.031  -1.880
   64    HA   HIS   8           HA       HIS   8 -14.682  -8.197  -0.917
   65    HB2  HIS   8           HB2      HIS   8 -12.346  -8.416   0.121
   66    HB3  HIS   8           HB1      HIS   8 -12.625  -6.808   0.791
   67    HD2  HIS   8           HD2      HIS   8 -14.789 -10.174   0.810
   68    HE1  HIS   8           HE1      HIS   8 -15.099  -8.273   4.567
   69    HE2  HIS   8           HE2      HIS   8 -15.819 -10.293   3.207
   70    H    GLN   9           HN       GLN   9 -13.302  -4.986  -0.994
   71    HA   GLN   9           HA       GLN   9 -15.199  -3.669   0.612
   72    HB2  GLN   9           HB2      GLN   9 -13.008  -3.028  -1.232
   73    HB3  GLN   9           HB1      GLN   9 -14.261  -1.807  -1.191
   74    HG2  GLN   9           HG2      GLN   9 -13.378  -2.862   1.450
   75    HG3  GLN   9           HG1      GLN   9 -12.205  -1.895   0.568
   76   HE21  GLN   9          HE21      GLN   9 -13.849   0.020  -0.673
   77   HE22  GLN   9          HE22      GLN   9 -14.633   0.945   0.516
   78    H    ARG  10           HN       ARG  10 -15.175  -4.640  -2.752
   79    HA   ARG  10           HA       ARG  10 -17.315  -2.969  -3.605
   80    HB2  ARG  10           HB2      ARG  10 -15.994  -5.432  -4.717
   81    HB3  ARG  10           HB1      ARG  10 -17.436  -4.763  -5.479
   82    HG2  ARG  10           HG2      ARG  10 -15.234  -2.847  -4.831
   83    HG3  ARG  10           HG1      ARG  10 -14.955  -3.967  -6.163
   84    HD2  ARG  10           HD2      ARG  10 -15.958  -1.927  -7.035
   85    HD3  ARG  10           HD1      ARG  10 -17.114  -3.246  -7.181
   86    HE   ARG  10           HE       ARG  10 -18.465  -2.181  -5.603
   87   HH11  ARG  10          HH21      ARG  10 -15.309  -0.768  -5.752
   88   HH12  ARG  10          HH22      ARG  10 -15.723   0.599  -4.773
   89   HH21  ARG  10          HH11      ARG  10 -19.016  -0.391  -4.319
   90   HH22  ARG  10          HH12      ARG  10 -17.822   0.813  -3.962
   91    H    LEU  11           HN       LEU  11 -17.084  -6.081  -2.055
   92    HA   LEU  11           HA       LEU  11 -19.809  -6.833  -2.542
   93    HB2  LEU  11           HB2      LEU  11 -17.522  -7.909  -0.934
   94    HB3  LEU  11           HB1      LEU  11 -19.147  -8.509  -0.635
   95    HG   LEU  11           HG       LEU  11 -18.120  -8.369  -3.457
   96   HD11  LEU  11          HD11      LEU  11 -17.571 -10.600  -1.475
   97   HD12  LEU  11          HD12      LEU  11 -16.362  -9.541  -2.200
   98   HD13  LEU  11          HD13      LEU  11 -17.256 -10.678  -3.209
   99   HD21  LEU  11          HD21      LEU  11 -20.053 -10.171  -1.957
  100   HD22  LEU  11          HD22      LEU  11 -19.620 -10.372  -3.655
  101   HD23  LEU  11          HD23      LEU  11 -20.475  -8.923  -3.130
  102    H    PHE  12           HN       PHE  12 -17.945  -5.558   0.193
  103    HA   PHE  12           HA       PHE  12 -20.407  -5.215   1.755
  104    HB2  PHE  12           HB2      PHE  12 -17.473  -5.196   2.367
  105    HB3  PHE  12           HB1      PHE  12 -18.574  -4.339   3.443
  106    HD1  PHE  12           HD2      PHE  12 -20.470  -5.577   4.534
  107    HD2  PHE  12           HD1      PHE  12 -17.386  -7.587   2.319
  108    HE1  PHE  12           HE2      PHE  12 -21.116  -7.728   5.587
  109    HE2  PHE  12           HE1      PHE  12 -18.032  -9.737   3.372
  110    HZ   PHE  12           HZ       PHE  12 -19.897  -9.808   5.005
  111    HN1  NH2  13           H1       NH2  13 -17.540  -3.062   1.373
  112    HN2  NH2  13           H2       NH2  13 -18.456  -1.655   1.119
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1   0.411  -7.062  -4.274
    2    H2   SER   1           HT2      SER   1   0.064  -5.401  -4.205
    3    H3   SER   1           HT3      SER   1   0.472  -6.125  -5.686
    4    HA   SER   1           HA       SER   1  -1.643  -6.548  -6.098
    5    HB2  SER   1           HB2      SER   1  -2.858  -8.118  -4.591
    6    HB3  SER   1           HB1      SER   1  -1.241  -8.688  -4.989
    7    HG   SER   1           HG       SER   1  -0.667  -8.440  -2.970
    8    H    ARG   2           HN       ARG   2  -3.953  -6.178  -5.276
    9    HA   ARG   2           HA       ARG   2  -4.586  -4.702  -3.033
   10    HB2  ARG   2           HB2      ARG   2  -4.870  -2.421  -4.197
   11    HB3  ARG   2           HB1      ARG   2  -3.247  -2.873  -3.679
   12    HG2  ARG   2           HG2      ARG   2  -2.549  -3.381  -5.865
   13    HG3  ARG   2           HG1      ARG   2  -4.204  -3.559  -6.452
   14    HD2  ARG   2           HD2      ARG   2  -2.812  -1.364  -6.984
   15    HD3  ARG   2           HD1      ARG   2  -4.535  -1.274  -6.632
   16    HE   ARG   2           HE       ARG   2  -2.940  -1.060  -4.255
   17   HH11  ARG   2          HH21      ARG   2  -4.138   0.616  -7.035
   18   HH12  ARG   2          HH22      ARG   2  -4.092   2.177  -6.286
   19   HH21  ARG   2          HH11      ARG   2  -2.877   0.984  -3.265
   20   HH22  ARG   2          HH12      ARG   2  -3.379   2.385  -4.151
   21    H    SER   3           HN       SER   3  -5.332  -6.382  -5.593
   22    HA   SER   3           HA       SER   3  -7.896  -5.153  -6.262
   23    HB2  SER   3           HB2      SER   3  -8.107  -7.072  -7.831
   24    HB3  SER   3           HB1      SER   3  -6.632  -6.145  -8.086
   25    HG   SER   3           HG       SER   3  -6.728  -8.666  -7.755
   26    H    GLU   4           HN       GLU   4  -6.638  -7.374  -4.035
   27    HA   GLU   4           HA       GLU   4  -9.022  -8.965  -3.731
   28    HB2  GLU   4           HB2      GLU   4  -7.849  -9.957  -1.819
   29    HB3  GLU   4           HB1      GLU   4  -6.798  -9.906  -3.234
   30    HG2  GLU   4           HG2      GLU   4  -5.905  -7.696  -2.345
   31    HG3  GLU   4           HG1      GLU   4  -6.772  -8.044  -0.849
   32    H    LEU   5           HN       LEU   5  -7.715  -6.034  -2.439
   33    HA   LEU   5           HA       LEU   5  -9.374  -5.938  -0.088
   34    HB2  LEU   5           HB2      LEU   5  -7.087  -4.706  -0.806
   35    HB3  LEU   5           HB1      LEU   5  -8.229  -3.467  -1.285
   36    HG   LEU   5           HG       LEU   5  -7.566  -3.031   1.003
   37   HD11  LEU   5          HD11      LEU   5  -9.695  -2.810   1.967
   38   HD12  LEU   5          HD12      LEU   5 -10.274  -4.324   1.273
   39   HD13  LEU   5          HD13      LEU   5 -10.050  -2.910   0.243
   40   HD21  LEU   5          HD21      LEU   5  -7.358  -4.623   2.648
   41   HD22  LEU   5          HD22      LEU   5  -7.144  -5.692   1.263
   42   HD23  LEU   5          HD23      LEU   5  -8.716  -5.577   2.054
   43    H    ILE   6           HN       ILE   6  -9.277  -4.251  -3.192
   44    HA   ILE   6           HA       ILE   6 -11.608  -2.747  -2.918
   45    HB   ILE   6           HB       ILE   6 -10.349  -3.832  -5.400
   46   HG12  ILE   6          HG12      ILE   6  -9.835  -1.191  -4.012
   47   HG13  ILE   6          HG11      ILE   6  -8.783  -2.598  -3.851
   48   HG21  ILE   6          HG21      ILE   6 -12.518  -2.910  -5.854
   49   HG22  ILE   6          HG22      ILE   6 -11.319  -1.724  -6.370
   50   HG23  ILE   6          HG23      ILE   6 -12.181  -1.504  -4.846
   51   HD11  ILE   6          HD11      ILE   6  -7.883  -1.161  -5.590
   52   HD12  ILE   6          HD12      ILE   6  -9.443  -1.117  -6.412
   53   HD13  ILE   6          HD13      ILE   6  -8.523  -2.620  -6.345
   54    H    VAL   7           HN       VAL   7 -11.057  -6.034  -3.642
   55    HA   VAL   7           HA       VAL   7 -13.502  -6.608  -4.948
   56    HB   VAL   7           HB       VAL   7 -11.107  -7.979  -4.021
   57   HG11  VAL   7          HG11      VAL   7 -12.221 -10.219  -3.919
   58   HG12  VAL   7          HG12      VAL   7 -13.768  -9.382  -3.804
   59   HG13  VAL   7          HG13      VAL   7 -12.553  -9.176  -2.539
   60   HG21  VAL   7          HG21      VAL   7 -13.088  -8.764  -6.157
   61   HG22  VAL   7          HG22      VAL   7 -11.374  -9.170  -6.070
   62   HG23  VAL   7          HG23      VAL   7 -11.872  -7.508  -6.386
   63    H    HIS   8           HN       HIS   8 -12.301  -6.952  -1.698
   64    HA   HIS   8           HA       HIS   8 -14.731  -8.014  -0.610
   65    HB2  HIS   8           HB2      HIS   8 -12.141  -7.028   0.514
   66    HB3  HIS   8           HB1      HIS   8 -13.521  -7.183   1.599
   67    HD2  HIS   8           HD2      HIS   8 -13.743  -9.733   2.612
   68    HE1  HIS   8           HE1      HIS   8 -11.685 -11.790  -0.447
   69    HE2  HIS   8           HE2      HIS   8 -12.863 -12.049   1.788
   70    H    GLN   9           HN       GLN   9 -13.288  -4.845  -0.880
   71    HA   GLN   9           HA       GLN   9 -15.107  -3.441   0.762
   72    HB2  GLN   9           HB2      GLN   9 -12.930  -2.894  -1.134
   73    HB3  GLN   9           HB1      GLN   9 -14.138  -1.630  -1.066
   74    HG2  GLN   9           HG2      GLN   9 -13.241  -2.702   1.558
   75    HG3  GLN   9           HG1      GLN   9 -12.043  -1.796   0.647
   76   HE21  GLN   9          HE21      GLN   9 -14.459  -1.391   2.922
   77   HE22  GLN   9          HE22      GLN   9 -14.826   0.240   2.636
   78    H    ARG  10           HN       ARG  10 -15.139  -4.401  -2.623
   79    HA   ARG  10           HA       ARG  10 -17.398  -2.733  -3.271
   80    HB2  ARG  10           HB2      ARG  10 -15.923  -4.882  -4.796
   81    HB3  ARG  10           HB1      ARG  10 -17.313  -4.014  -5.449
   82    HG2  ARG  10           HG2      ARG  10 -15.044  -2.420  -4.298
   83    HG3  ARG  10           HG1      ARG  10 -14.843  -3.141  -5.894
   84    HD2  ARG  10           HD2      ARG  10 -17.301  -1.531  -5.217
   85    HD3  ARG  10           HD1      ARG  10 -15.823  -0.749  -5.766
   86    HE   ARG  10           HE       ARG  10 -16.530  -2.879  -7.520
   87   HH11  ARG  10          HH21      ARG  10 -17.391   0.330  -6.550
   88   HH12  ARG  10          HH22      ARG  10 -18.076   0.759  -8.082
   89   HH21  ARG  10          HH11      ARG  10 -17.427  -2.323  -9.533
   90   HH22  ARG  10          HH12      ARG  10 -18.095  -0.744  -9.771
   91    H    LEU  11           HN       LEU  11 -16.793  -6.212  -2.862
   92    HA   LEU  11           HA       LEU  11 -19.572  -6.879  -3.152
   93    HB2  LEU  11           HB2      LEU  11 -17.039  -8.369  -2.575
   94    HB3  LEU  11           HB1      LEU  11 -18.586  -9.146  -2.279
   95    HG   LEU  11           HG       LEU  11 -18.058  -7.783  -4.911
   96   HD11  LEU  11          HD11      LEU  11 -17.251  -9.930  -5.807
   97   HD12  LEU  11          HD12      LEU  11 -17.332 -10.640  -4.196
   98   HD13  LEU  11          HD13      LEU  11 -16.181  -9.347  -4.533
   99   HD21  LEU  11          HD21      LEU  11 -19.625  -9.672  -5.638
  100   HD22  LEU  11          HD22      LEU  11 -20.340  -8.445  -4.595
  101   HD23  LEU  11          HD23      LEU  11 -19.868 -10.006  -3.924
  102    H    PHE  12           HN       PHE  12 -17.210  -6.763  -0.508
  103    HA   PHE  12           HA       PHE  12 -17.495  -7.011   1.781
  104    HB2  PHE  12           HB2      PHE  12 -18.055  -4.640   1.301
  105    HB3  PHE  12           HB1      PHE  12 -19.752  -5.095   1.154
  106    HD1  PHE  12           HD2      PHE  12 -16.854  -5.046   3.495
  107    HD2  PHE  12           HD1      PHE  12 -21.113  -5.417   3.079
  108    HE1  PHE  12           HE2      PHE  12 -17.107  -4.891   5.957
  109    HE2  PHE  12           HE1      PHE  12 -21.367  -5.261   5.542
  110    HZ   PHE  12           HZ       PHE  12 -19.364  -4.999   6.981
  111    HN1  NH2  13           H1       NH2  13 -18.271  -9.292   1.763
  112    HN2  NH2  13           H2       NH2  13 -19.899  -9.625   2.110
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1  -0.036  -5.017  -6.886
    2    H2   SER   1           HT2      SER   1  -1.635  -4.445  -6.932
    3    H3   SER   1           HT3      SER   1  -1.224  -5.889  -7.728
    4    HA   SER   1           HA       SER   1  -1.892  -6.962  -5.919
    5    HB2  SER   1           HB2      SER   1  -0.262  -6.828  -3.971
    6    HB3  SER   1           HB1      SER   1   0.462  -7.211  -5.531
    7    HG   SER   1           HG       SER   1   0.216  -4.546  -4.638
    8    H    ARG   2           HN       ARG   2  -3.872  -5.808  -5.661
    9    HA   ARG   2           HA       ARG   2  -4.382  -4.835  -3.119
   10    HB2  ARG   2           HB2      ARG   2  -4.903  -2.420  -3.761
   11    HB3  ARG   2           HB1      ARG   2  -3.198  -2.827  -3.573
   12    HG2  ARG   2           HG2      ARG   2  -2.947  -3.082  -5.985
   13    HG3  ARG   2           HG1      ARG   2  -4.674  -2.816  -6.221
   14    HD2  ARG   2           HD2      ARG   2  -2.995  -0.751  -4.811
   15    HD3  ARG   2           HD1      ARG   2  -3.037  -0.815  -6.569
   16    HE   ARG   2           HE       ARG   2  -5.324  -0.197  -6.511
   17   HH11  ARG   2          HH21      ARG   2  -3.916  -0.550  -3.363
   18   HH12  ARG   2          HH22      ARG   2  -5.198   0.281  -2.550
   19   HH21  ARG   2          HH11      ARG   2  -7.002   0.890  -5.445
   20   HH22  ARG   2          HH12      ARG   2  -6.943   1.095  -3.726
   21    H    SER   3           HN       SER   3  -5.260  -6.103  -5.858
   22    HA   SER   3           HA       SER   3  -7.899  -4.956  -6.213
   23    HB2  SER   3           HB2      SER   3  -6.525  -5.922  -8.095
   24    HB3  SER   3           HB1      SER   3  -6.802  -7.513  -7.394
   25    HG   SER   3           HG       SER   3  -8.356  -6.975  -8.994
   26    H    GLU   4           HN       GLU   4  -6.515  -7.152  -4.090
   27    HA   GLU   4           HA       GLU   4  -8.770  -8.924  -3.817
   28    HB2  GLU   4           HB2      GLU   4  -6.330  -9.501  -3.313
   29    HB3  GLU   4           HB1      GLU   4  -6.530  -8.564  -1.832
   30    HG2  GLU   4           HG2      GLU   4  -8.367  -9.998  -1.120
   31    HG3  GLU   4           HG1      GLU   4  -8.300 -10.889  -2.640
   32    H    LEU   5           HN       LEU   5  -7.607  -5.987  -2.326
   33    HA   LEU   5           HA       LEU   5  -9.364  -6.074  -0.058
   34    HB2  LEU   5           HB2      LEU   5  -7.120  -4.705  -0.636
   35    HB3  LEU   5           HB1      LEU   5  -8.310  -3.492  -1.076
   36    HG   LEU   5           HG       LEU   5  -8.464  -4.954   1.566
   37   HD11  LEU   5          HD11      LEU   5  -6.910  -2.460   0.860
   38   HD12  LEU   5          HD12      LEU   5  -6.288  -3.944   1.579
   39   HD13  LEU   5          HD13      LEU   5  -7.354  -2.894   2.511
   40   HD21  LEU   5          HD21      LEU   5  -9.498  -2.286   0.552
   41   HD22  LEU   5          HD22      LEU   5  -9.720  -2.897   2.191
   42   HD23  LEU   5          HD23      LEU   5 -10.465  -3.735   0.829
   43    H    ILE   6           HN       ILE   6  -9.250  -4.223  -3.071
   44    HA   ILE   6           HA       ILE   6 -11.647  -2.839  -2.811
   45    HB   ILE   6           HB       ILE   6 -10.319  -3.813  -5.302
   46   HG12  ILE   6          HG12      ILE   6  -9.898  -1.195  -3.842
   47   HG13  ILE   6          HG11      ILE   6  -8.808  -2.574  -3.701
   48   HG21  ILE   6          HG21      ILE   6 -12.214  -1.547  -4.708
   49   HG22  ILE   6          HG22      ILE   6 -12.515  -2.942  -5.744
   50   HG23  ILE   6          HG23      ILE   6 -11.343  -1.718  -6.231
   51   HD11  ILE   6          HD11      ILE   6  -9.491  -1.082  -6.251
   52   HD12  ILE   6          HD12      ILE   6  -8.485  -2.529  -6.174
   53   HD13  ILE   6          HD13      ILE   6  -7.950  -1.039  -5.396
   54    H    VAL   7           HN       VAL   7 -10.942  -6.077  -3.574
   55    HA   VAL   7           HA       VAL   7 -13.304  -6.760  -4.966
   56    HB   VAL   7           HB       VAL   7 -10.886  -8.007  -3.973
   57   HG11  VAL   7          HG11      VAL   7 -12.288  -9.202  -2.428
   58   HG12  VAL   7          HG12      VAL   7 -11.865 -10.291  -3.746
   59   HG13  VAL   7          HG13      VAL   7 -13.465  -9.555  -3.695
   60   HG21  VAL   7          HG21      VAL   7 -12.852  -8.945  -6.066
   61   HG22  VAL   7          HG22      VAL   7 -11.134  -9.335  -5.956
   62   HG23  VAL   7          HG23      VAL   7 -11.643  -7.692  -6.349
   63    H    HIS   8           HN       HIS   8 -12.256  -6.986  -1.664
   64    HA   HIS   8           HA       HIS   8 -14.691  -8.149  -0.682
   65    HB2  HIS   8           HB2      HIS   8 -12.612  -8.550   0.510
   66    HB3  HIS   8           HB1      HIS   8 -12.395  -6.819   0.768
   67    HD2  HIS   8           HD2      HIS   8 -15.829  -8.692   1.422
   68    HE1  HIS   8           HE1      HIS   8 -14.409  -7.132   5.078
   69    HE2  HIS   8           HE2      HIS   8 -16.352  -8.317   3.952
   70    H    GLN   9           HN       GLN   9 -13.344  -4.935  -0.902
   71    HA   GLN   9           HA       GLN   9 -15.295  -3.594   0.651
   72    HB2  GLN   9           HB2      GLN   9 -13.032  -2.969  -1.123
   73    HB3  GLN   9           HB1      GLN   9 -14.276  -1.740  -1.095
   74    HG2  GLN   9           HG2      GLN   9 -13.470  -2.832   1.553
   75    HG3  GLN   9           HG1      GLN   9 -12.262  -1.872   0.712
   76   HE21  GLN   9          HE21      GLN   9 -12.393   0.081   1.917
   77   HE22  GLN   9          HE22      GLN   9 -13.814   1.000   2.052
   78    H    ARG  10           HN       ARG  10 -15.082  -4.545  -2.724
   79    HA   ARG  10           HA       ARG  10 -17.236  -2.909  -3.634
   80    HB2  ARG  10           HB2      ARG  10 -15.758  -5.268  -4.781
   81    HB3  ARG  10           HB1      ARG  10 -17.163  -4.584  -5.599
   82    HG2  ARG  10           HG2      ARG  10 -15.008  -2.708  -4.691
   83    HG3  ARG  10           HG1      ARG  10 -14.703  -3.695  -6.120
   84    HD2  ARG  10           HD2      ARG  10 -16.800  -2.863  -7.134
   85    HD3  ARG  10           HD1      ARG  10 -17.084  -1.861  -5.714
   86    HE   ARG  10           HE       ARG  10 -14.635  -1.038  -6.493
   87   HH11  ARG  10          HH21      ARG  10 -17.594  -1.600  -8.198
   88   HH12  ARG  10          HH22      ARG  10 -17.290  -0.394  -9.404
   89   HH21  ARG  10          HH11      ARG  10 -14.228   0.544  -8.070
   90   HH22  ARG  10          HH12      ARG  10 -15.384   0.819  -9.331
   91    H    LEU  11           HN       LEU  11 -16.962  -6.052  -2.169
   92    HA   LEU  11           HA       LEU  11 -19.548  -7.000  -2.906
   93    HB2  LEU  11           HB2      LEU  11 -17.392  -7.830  -1.006
   94    HB3  LEU  11           HB1      LEU  11 -18.997  -8.523  -0.815
   95    HG   LEU  11           HG       LEU  11 -17.749  -8.467  -3.546
   96   HD11  LEU  11          HD11      LEU  11 -17.131 -10.449  -1.338
   97   HD12  LEU  11          HD12      LEU  11 -15.980  -9.426  -2.197
   98   HD13  LEU  11          HD13      LEU  11 -16.794 -10.741  -3.045
   99   HD21  LEU  11          HD21      LEU  11 -19.608 -10.378  -2.091
  100   HD22  LEU  11          HD22      LEU  11 -19.082 -10.557  -3.765
  101   HD23  LEU  11          HD23      LEU  11 -20.088  -9.186  -3.299
  102    H    PHE  12           HN       PHE  12 -18.203  -5.182  -0.222
  103    HA   PHE  12           HA       PHE  12 -20.670  -5.282   1.311
  104    HB2  PHE  12           HB2      PHE  12 -17.951  -4.077   1.689
  105    HB3  PHE  12           HB1      PHE  12 -19.297  -3.482   2.658
  106    HD1  PHE  12           HD1      PHE  12 -18.170  -6.851   1.426
  107    HD2  PHE  12           HD2      PHE  12 -19.401  -4.455   4.773
  108    HE1  PHE  12           HE1      PHE  12 -17.967  -8.823   2.914
  109    HE2  PHE  12           HE2      PHE  12 -19.198  -6.430   6.260
  110    HZ   PHE  12           HZ       PHE  12 -18.481  -8.614   5.331
  111    HN1  NH2  13           H1       NH2  13 -18.781  -2.579  -0.176
  112    HN2  NH2  13           H2       NH2  13 -20.141  -1.598  -0.444
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1  -0.007  -4.295  -6.401
    2    H2   SER   1           HT2      SER   1  -0.738  -3.184  -5.342
    3    H3   SER   1           HT3      SER   1  -1.656  -3.928  -6.563
    4    HA   SER   1           HA       SER   1  -1.603  -6.009  -5.515
    5    HB2  SER   1           HB2      SER   1   0.861  -5.700  -4.888
    6    HB3  SER   1           HB1      SER   1   0.286  -4.858  -3.452
    7    HG   SER   1           HG       SER   1   0.637  -7.167  -3.204
    8    H    ARG   2           HN       ARG   2  -3.736  -5.406  -5.134
    9    HA   ARG   2           HA       ARG   2  -4.584  -5.105  -2.528
   10    HB2  ARG   2           HB2      ARG   2  -5.519  -2.708  -2.760
   11    HB3  ARG   2           HB1      ARG   2  -3.812  -2.891  -2.359
   12    HG2  ARG   2           HG2      ARG   2  -3.104  -2.306  -4.514
   13    HG3  ARG   2           HG1      ARG   2  -4.658  -2.718  -5.242
   14    HD2  ARG   2           HD2      ARG   2  -3.982  -0.182  -4.834
   15    HD3  ARG   2           HD1      ARG   2  -5.643  -0.722  -4.608
   16    HE   ARG   2           HE       ARG   2  -4.066  -0.937  -2.206
   17   HH11  ARG   2          HH21      ARG   2  -5.915   1.160  -4.245
   18   HH12  ARG   2          HH22      ARG   2  -6.336   2.255  -2.971
   19   HH21  ARG   2          HH11      ARG   2  -4.614   0.494  -0.529
   20   HH22  ARG   2          HH12      ARG   2  -5.599   1.878  -0.867
   21    H    SER   3           HN       SER   3  -5.037  -5.848  -5.549
   22    HA   SER   3           HA       SER   3  -7.671  -5.016  -6.181
   23    HB2  SER   3           HB2      SER   3  -5.962  -6.033  -7.770
   24    HB3  SER   3           HB1      SER   3  -6.382  -7.596  -7.077
   25    HG   SER   3           HG       SER   3  -8.042  -7.568  -8.349
   26    H    GLU   4           HN       GLU   4  -6.487  -7.186  -3.875
   27    HA   GLU   4           HA       GLU   4  -8.815  -8.896  -3.797
   28    HB2  GLU   4           HB2      GLU   4  -6.463  -8.621  -1.914
   29    HB3  GLU   4           HB1      GLU   4  -7.726  -9.845  -1.775
   30    HG2  GLU   4           HG2      GLU   4  -7.157 -10.557  -4.139
   31    HG3  GLU   4           HG1      GLU   4  -5.757  -9.488  -4.047
   32    H    LEU   5           HN       LEU   5  -7.682  -5.976  -2.311
   33    HA   LEU   5           HA       LEU   5  -9.508  -6.005  -0.090
   34    HB2  LEU   5           HB2      LEU   5  -7.218  -4.683  -0.612
   35    HB3  LEU   5           HB1      LEU   5  -8.376  -3.456  -1.094
   36    HG   LEU   5           HG       LEU   5  -8.546  -4.906   1.559
   37   HD11  LEU   5          HD11      LEU   5  -6.412  -3.700   1.427
   38   HD12  LEU   5          HD12      LEU   5  -7.517  -2.895   2.541
   39   HD13  LEU   5          HD13      LEU   5  -7.261  -2.239   0.924
   40   HD21  LEU   5          HD21      LEU   5  -9.778  -2.372   0.434
   41   HD22  LEU   5          HD22      LEU   5  -9.909  -2.865   2.121
   42   HD23  LEU   5          HD23      LEU   5 -10.623  -3.862   0.852
   43    H    ILE   6           HN       ILE   6  -9.248  -4.198  -3.123
   44    HA   ILE   6           HA       ILE   6 -11.627  -2.770  -2.969
   45    HB   ILE   6           HB       ILE   6 -10.200  -3.788  -5.392
   46   HG12  ILE   6          HG12      ILE   6  -9.858  -1.153  -3.942
   47   HG13  ILE   6          HG11      ILE   6  -8.764  -2.523  -3.756
   48   HG21  ILE   6          HG21      ILE   6 -12.116  -1.505  -4.935
   49   HG22  ILE   6          HG22      ILE   6 -12.390  -2.933  -5.932
   50   HG23  ILE   6          HG23      ILE   6 -11.191  -1.734  -6.418
   51   HD11  ILE   6          HD11      ILE   6  -7.860  -0.982  -5.425
   52   HD12  ILE   6          HD12      ILE   6  -9.367  -1.052  -6.338
   53   HD13  ILE   6          HD13      ILE   6  -8.345  -2.484  -6.210
   54    H    VAL   7           HN       VAL   7 -10.941  -6.025  -3.729
   55    HA   VAL   7           HA       VAL   7 -13.342  -6.633  -5.123
   56    HB   VAL   7           HB       VAL   7 -10.897  -7.942  -4.237
   57   HG11  VAL   7          HG11      VAL   7 -12.308  -9.265  -2.823
   58   HG12  VAL   7          HG12      VAL   7 -11.901 -10.232  -4.239
   59   HG13  VAL   7          HG13      VAL   7 -13.491  -9.478  -4.116
   60   HG21  VAL   7          HG21      VAL   7 -12.871  -8.532  -6.450
   61   HG22  VAL   7          HG22      VAL   7 -11.234  -9.179  -6.324
   62   HG23  VAL   7          HG23      VAL   7 -11.483  -7.451  -6.573
   63    H    HIS   8           HN       HIS   8 -12.172  -7.046  -1.870
   64    HA   HIS   8           HA       HIS   8 -14.578  -8.275  -0.891
   65    HB2  HIS   8           HB2      HIS   8 -12.250  -8.564   0.098
   66    HB3  HIS   8           HB1      HIS   8 -12.441  -6.946   0.776
   67    HD2  HIS   8           HD2      HIS   8 -14.443 -10.391   0.998
   68    HE1  HIS   8           HE1      HIS   8 -15.041  -8.194   4.554
   69    HE2  HIS   8           HE2      HIS   8 -15.536 -10.386   3.370
   70    H    GLN   9           HN       GLN   9 -13.353  -5.062  -1.217
   71    HA   GLN   9           HA       GLN   9 -15.165  -3.779   0.576
   72    HB2  GLN   9           HB2      GLN   9 -13.043  -3.087  -1.348
   73    HB3  GLN   9           HB1      GLN   9 -14.270  -1.860  -1.144
   74    HG2  GLN   9           HG2      GLN   9 -13.245  -3.091   1.361
   75    HG3  GLN   9           HG1      GLN   9 -12.102  -2.099   0.467
   76   HE21  GLN   9          HE21      GLN   9 -13.781  -1.660   3.072
   77   HE22  GLN   9          HE22      GLN   9 -14.461  -0.124   2.831
   78    H    ARG  10           HN       ARG  10 -15.176  -4.629  -2.831
   79    HA   ARG  10           HA       ARG  10 -17.326  -2.932  -3.583
   80    HB2  ARG  10           HB2      ARG  10 -17.199  -3.938  -5.684
   81    HB3  ARG  10           HB1      ARG  10 -15.562  -4.142  -5.072
   82    HG2  ARG  10           HG2      ARG  10 -15.871  -6.329  -5.641
   83    HG3  ARG  10           HG1      ARG  10 -16.748  -6.421  -4.118
   84    HD2  ARG  10           HD2      ARG  10 -18.857  -5.912  -5.311
   85    HD3  ARG  10           HD1      ARG  10 -17.970  -5.839  -6.830
   86    HE   ARG  10           HE       ARG  10 -17.429  -8.324  -5.648
   87   HH11  ARG  10          HH21      ARG  10 -20.075  -6.518  -6.956
   88   HH12  ARG  10          HH22      ARG  10 -20.950  -7.917  -7.483
   89   HH21  ARG  10          HH11      ARG  10 -18.570 -10.163  -6.335
   90   HH22  ARG  10          HH12      ARG  10 -20.097  -9.982  -7.131
   91    H    LEU  11           HN       LEU  11 -17.116  -5.961  -1.973
   92    HA   LEU  11           HA       LEU  11 -19.788  -6.829  -2.552
   93    HB2  LEU  11           HB2      LEU  11 -17.554  -7.736  -0.774
   94    HB3  LEU  11           HB1      LEU  11 -19.173  -8.371  -0.517
   95    HG   LEU  11           HG       LEU  11 -18.027  -8.356  -3.295
   96   HD11  LEU  11          HD11      LEU  11 -16.254  -9.410  -2.059
   97   HD12  LEU  11          HD12      LEU  11 -17.197 -10.703  -2.801
   98   HD13  LEU  11          HD13      LEU  11 -17.400 -10.334  -1.088
   99   HD21  LEU  11          HD21      LEU  11 -19.454 -10.396  -3.460
  100   HD22  LEU  11          HD22      LEU  11 -20.384  -8.975  -2.987
  101   HD23  LEU  11          HD23      LEU  11 -19.930 -10.176  -1.777
  102    H    PHE  12           HN       PHE  12 -18.124  -5.240   0.137
  103    HA   PHE  12           HA       PHE  12 -20.515  -5.117   1.761
  104    HB2  PHE  12           HB2      PHE  12 -17.688  -4.136   2.029
  105    HB3  PHE  12           HB1      PHE  12 -18.938  -3.529   3.112
  106    HD1  PHE  12           HD1      PHE  12 -17.567  -6.738   1.744
  107    HD2  PHE  12           HD2      PHE  12 -19.506  -4.760   5.028
  108    HE1  PHE  12           HE1      PHE  12 -17.403  -8.813   3.092
  109    HE2  PHE  12           HE2      PHE  12 -19.341  -6.835   6.376
  110    HZ   PHE  12           HZ       PHE  12 -18.289  -8.862   5.408
  111    HN1  NH2  13           H1       NH2  13 -18.921  -3.013  -0.576
  112    HN2  NH2  13           H2       NH2  13 -19.995  -1.710  -0.400