*HEADER    NEUROPEPTIDE                            27-DEC-11   2LNE              
*TITLE     NEUROTENSIN 40 STRUCTURES IN WATER PH 5.5 298 K. NMR DATA & STRUCTURES
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTENSIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NT;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: NTS;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    NEUROTENSIN(NT), RECOMBINANT TECHNOLOGY, NEUROPEPTIDE                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    40                                                                    
*AUTHOR    C.MUKHOPADHYAY, U.KHATUN                                              
*REVDAT   1   14-NOV-12 2LNE    0                                                


set echo=false end
set wrnlev=0 end
!Restraints dihedral set

! intraresidue i-i

assign (residue 1 and name HA)    (residue 1 and  name HB#)  4 2.2 0
assign (residue 1 and name HB#)   (residue 1 and  name HG#)  3 1.2 .5    
assign (residue 2 and name HA)    (residue 2 and  name HN)   4 2.2 0
assign (residue 2 and name HB#)   (residue 2 and  name HD#)  4 2.2 0
assign (residue 2 and name HN)    (residue 2 and  name HG#)  4 2.2 1        
assign (residue 2 and name HN)    (residue 2 and  name HD#)  4 2.2 2                 
assign (residue 2 and name HA)    (residue 2 and  name HB#)  4 2.2 1
assign (residue 2 and name HN)    (residue 2 and  name HB#)  4 2.2 0
assign (residue 2 and name HG)    (residue 2 and name HD#)   4 2.2 1
assign (residue 3 and name HA)    (residue 3 and name HB#)   4 2.2 1
assign (residue 3 and name HD#)   (residue 3 and name HE#)   4 2.2 1
assign (residue 3 and name HA)    (residue 3 and name HN)    4 2.2 1
assign (residue 3 and name HB#)   (residue 3 and name HN)    4 2.2 1
assign (residue 3 and name HD#)   (residue 3 and  name HB#)  4 2.2 0
assign (residue 3 and name HA)    (residue 3 and name HD#)   4 2.2 0
assign (residue 4 and name HA)    (residue 4 and name HN)    3 1.2 .5
assign (residue 4 and name HB#)   (residue 4 and name HA)    4 2.2 1
assign (residue 4 and name HA)    (residue 4 and name HG#)   4 2.2 1
assign (residue 5 and name HA)    (residue 5 and name HB#)   4 2.2 1
assign (residue 5 and name HA)    (residue 5 and  name HN)   3 1.2 .5
assign (residue 5 and name HD#)   (residue 5 and  name HB#)  4 2.2 0
assign (residue 6 and name HE#)   (residue 6 and name HG#)   4 2.2 1
assign (residue 6 and name HA)    (residue 6 and name HB#)   3 1.2 .5
assign (residue 6 and name HA)    (residue 6 and name HG#)   3 1.2 .5                
assign (residue 6 and name HA)    (residue 6 and name HD#)   4 2.2 0
assign (residue 6 and name HB#)   (residue 6 and name HG#)   4 2.2 1
assign (residue 6 and name HE#)   (residue 6 and name HB#)   4 2.2 2
assign (residue 7 and name HD#)   (residue 7 and name HG#)   4 2.2 1    
assign (residue 7 and name HD#)   (residue 7 and name HB#)   4 2.2 1                
assign (residue 7 and name HA)    (residue 7 and name HG#)   4 2.2 0                  
assign (residue 7 and name HA)    (residue 7 and name HB#)   4 2.2 0
assign (residue 8 and name HA#)   (residue 8 and name HD#)   4 2.2 1
assign (residue 8 and name HG#)   (residue 8 and  name HD#)  4 2.2 1
assign (residue 8 and name HB#)   (residue 8 and  name HD#)  4 2.2 2
assign (residue 9 and name HA)    (residue 9 and name HG#)   3 1.2 .5
assign (residue 9 and name HD#)   (residue 9 and name HB#)   4 2.2 1                
assign (residue 9 and name HA)    (residue 9 and  name HD#)  4 2.2 1
assign (residue 9 and name HN)    (residue 9 and name HA)    4 2.2 1 
assign (residue 10 and name HA#)  (residue 10 and name HB#)  4 2.2 1               
assign (residue 10 and name HD#)  (residue 10 and name HG#)  4 2.2 1               
assign (residue 10 and name HD#)  (residue 10 and name HB#)  4 2.2 1
assign (residue 11 and name HA)   (residue 11 and  name HN)  4 2.2 0
assign (residue 11 and name HA)   (residue 11 and  name HD#) 4 2.2 0
assign (residue 11 and name HD#)  (residue 11 and name HE#)  4 2.2 1 
assign (residue 11 and name HB#)  (residue 11 and name HN)   4 2.2 1
assign (residue 11 and name HA)   (residue 11 and name HB#)  4 2.2 1
assign (residue 11 and name HB#)  (residue 11 and name HD#)  4 2.2 2
assign (residue 12 and name HB#)  (residue 12 and name HN)   4 2.2 1
assign (residue 12 and name HA)   (residue 12 and name HB#)  4 2.2 1
assign (residue 13 and name HA)   (residue 13 and name HB#)  4 2.2 1
assign (residue 13 and name HA)   (residue 13 and name HN)   4 2.2 1
assign (residue 13 and name HB#)  (residue 13 and name HN)   4 2.2 1  
assign (residue 13 and name HD#)  (residue 13 and  name HN)  4 2.2 2                                                                               
                                                                                


! interresidue i-j
assign (residue 1 and name HA)   (residue 2 and name HG#)   4 2.2 1
assign (residue 2 and name HA)   (residue 1 and name HG#)   4 2.2 1
assign (residue 6 and name HN)   (residue 5 and name HA)    3 1.2 .5
assign (residue 7 and name HB#)  (residue 6 and name HB#)   4 2.2 1
assign (residue 7 and name HD#)  (residue 9 and name HA)    4 2.2 1                                                              
assign (residue 7 and name HD#)  (residue 6 and name HA)    4 2.2 1                                                              assign (residue 7 and name HD#) (residue 8 and name HB#) 4 2.2 2
assign (residue 7 and name HD#)  (residue 8 and name HB#)   4 2.2 2
assign (residue 8 and name HN)   (residue 10 and name HA)   4 2.2 1
assign (residue 8 and name HA)   (residue 6 and name HB#)   4 2.2 1
assign (residue 8 and name HD#)  (residue 9 and name HB#)   4 2.2 1
assign (residue 8 and name HA)   (residue 7 and name HG#)   4 2.2 0
assign (residue 9 and name HA)   (residue 10 and name HD#)  4 2.2 0
assign (residue 9 and name HD#)  (residue 8 and name HG#)   4 2.2 1
assign (residue 9 and name HD#)  (residue 8 and name HB#)   4 2.2 2
assign (residue 10 and name HD#) (residue 9 and name HA)    4 2.2 0
assign (residue 10 and name HD#) (residue 12 and name HB#)  4 2.2 1         
assign (residue 11 and name HA)  (residue 13 and name HB#)  4 2.2 2                                                             assign (residue 12 and name HN)(residue 11 and name HB) 4 2.2 1                                                             assign (residue 12 and name HN)(residue 11 and name HA) 4 2.2 1                                                              assign (residue 13 and name HN)(residue 12 and name HB#) 4 2.2 2                                                              assign (residue 13 and name HB#)(residue 12 and name HG#) 4 2.2 1                                                                   

                                                                                



set echo=true end
set wrnlev=5 end



!!
!! Phi restraints: minimum deviation = 30 degrees

  !!    2
  assign (resid    1 and name c )   (resid    2 and name n )
         (resid    2 and name ca)   (resid    2 and name c )     1.0  -62.0  16.0  2

  !!    3
  assign (resid    2 and name c )   (resid    3 and name n )
        (resid    3 and name ca)    (resid    3 and name c )     1.0 -64.0  16.0  2

  !!    4
  assign (resid    3 and name c )   (resid    4 and name n )
         (resid    4 and name ca)   (resid    4 and name c )     1.0  -81.0  16.0  2
 
  !!    6
  assign (resid    5 and name c )   (resid    6 and name n )
        (resid    6 and name ca)    (resid    6 and name c )     1.0  -64.0  16.0  2

   !!  8           
  assign (resid    7 and name c )   (resid    8 and name n )
        (resid    8 and name ca)    (resid    8 and name c )     1.0 -64.0  16.0  2

   !!   9
  assign (resid    8 and name c )   (resid    9 and name n )
         (resid    9 and name ca)   (resid    9 and name c )     1.0 -80.0  16.0  2

  !!  11        
  assign (resid   10 and name c )   (resid   11 and name n )                       
         (resid   11 and name ca)   (resid   11 and name c )     1.0 -81.0  16.0  2
                                                                                                            
  !!  12                        
  assign (resid    11 and name c )  (resid    12 and name n )                                                 
         (resid    12 and name ca)  (resid    12 and name c )   1.0  -62.0  16.0  2

 !!  13   
 assign (resid    12 and name c )   (resid    13 and name n )
        (resid    13 and name ca)   (resid    13 and name c )   1.0  -79.0  16.0  2


   
  




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1H       GLU   1  -4.173 -10.700   2.699
    2    H2   GLU   1           2H       GLU   1  -3.517 -11.211   4.181
    3    H3   GLU   1           3H       GLU   1  -3.773  -9.557   3.886
    4    HA   GLU   1           HA       GLU   1  -6.188 -10.983   3.527
    5    HB2  GLU   1           1HB      GLU   1  -5.120 -12.571   5.114
    6    HB3  GLU   1           2HB      GLU   1  -4.862 -11.242   6.244
    7    HG2  GLU   1           1HG      GLU   1  -7.277 -10.853   6.380
    8    HG3  GLU   1           2HG      GLU   1  -7.565 -12.128   5.198
    9    H    LEU   2           H        LEU   2  -4.937  -9.461   6.473
   10    HA   LEU   2           HA       LEU   2  -6.952  -7.409   6.360
   11    HB2  LEU   2           1HB      LEU   2  -4.579  -7.804   8.199
   12    HB3  LEU   2           2HB      LEU   2  -5.819  -6.571   8.421
   13    HG   LEU   2           HG       LEU   2  -6.399  -9.544   8.258
   14   HD11  LEU   2          1HD1      LEU   2  -4.995  -8.895  10.237
   15   HD12  LEU   2          2HD1      LEU   2  -6.583  -9.526  10.674
   16   HD13  LEU   2          3HD1      LEU   2  -6.280  -7.789  10.728
   17   HD21  LEU   2          3HD2      LEU   2  -8.056  -7.072   8.754
   18   HD22  LEU   2          1HD2      LEU   2  -8.526  -8.588   9.521
   19   HD23  LEU   2          2HD2      LEU   2  -8.429  -8.484   7.766
   20    H    TYR   3           H        TYR   3  -6.676  -5.215   5.987
   21    HA   TYR   3           HA       TYR   3  -4.570  -4.523   4.155
   22    HB2  TYR   3           1HB      TYR   3  -6.718  -2.829   5.453
   23    HB3  TYR   3           2HB      TYR   3  -5.651  -2.293   4.156
   24    HD1  TYR   3           HD2      TYR   3  -5.760  -3.373   1.908
   25    HD2  TYR   3           HD1      TYR   3  -8.567  -4.303   5.024
   26    HE1  TYR   3           HE2      TYR   3  -7.278  -4.400   0.236
   27    HE2  TYR   3           HE1      TYR   3 -10.083  -5.329   3.354
   28    HH   TYR   3           HH       TYR   3  -9.992  -6.301   1.143
   29    H    GLU   4           H        GLU   4  -2.599  -3.906   4.718
   30    HA   GLU   4           HA       GLU   4  -2.075  -2.906   7.430
   31    HB2  GLU   4           1HB      GLU   4   0.272  -3.295   6.904
   32    HB3  GLU   4           2HB      GLU   4  -0.671  -4.734   6.519
   33    HG2  GLU   4           1HG      GLU   4  -0.772  -3.974   4.137
   34    HG3  GLU   4           2HG      GLU   4   0.295  -2.634   4.556
   35    H    ASN   5           H        ASN   5  -0.572  -1.064   7.676
   36    HA   ASN   5           HA       ASN   5  -1.507   1.208   6.259
   37    HB2  ASN   5           1HB      ASN   5   0.229   2.436   7.501
   38    HB3  ASN   5           2HB      ASN   5  -0.679   1.362   8.561
   39   HD21  ASN   5          2HD2      ASN   5   0.531  -0.124   9.772
   40   HD22  ASN   5          1HD2      ASN   5   2.171  -0.469   9.502
   41    H    LYS   6           H        LYS   6  -0.953   1.902   4.306
   42    HA   LYS   6           HA       LYS   6   1.252   0.721   2.879
   43    HB2  LYS   6           1HB      LYS   6  -0.756   2.860   2.180
   44    HB3  LYS   6           2HB      LYS   6   0.520   2.356   1.071
   45    HG2  LYS   6           1HG      LYS   6  -0.308  -0.000   1.269
   46    HG3  LYS   6           2HG      LYS   6  -1.644   0.587   2.258
   47    HD2  LYS   6           1HD      LYS   6  -1.058   1.507  -0.574
   48    HD3  LYS   6           2HD      LYS   6  -2.279   0.314  -0.139
   49    HE2  LYS   6           1HE      LYS   6  -3.164   2.184   1.475
   50    HE3  LYS   6           2HE      LYS   6  -2.242   3.268   0.433
   51    HZ1  LYS   6           3HZ      LYS   6  -4.548   1.569  -0.239
   52    HZ2  LYS   6           1HZ      LYS   6  -3.446   2.014  -1.449
   53    HZ3  LYS   6           2HZ      LYS   6  -4.286   3.211  -0.585
   54    HA   PRO   7           HA       PRO   7   4.039   4.130   3.740
   55    HB2  PRO   7           1HB      PRO   7   6.015   3.639   2.029
   56    HB3  PRO   7           2HB      PRO   7   5.589   2.396   3.224
   57    HG2  PRO   7           1HG      PRO   7   4.775   2.582   0.346
   58    HG3  PRO   7           2HG      PRO   7   5.429   1.187   1.232
   59    HD2  PRO   7           1HD      PRO   7   2.716   1.596   0.817
   60    HD3  PRO   7           2HD      PRO   7   3.384   0.668   2.184
   61    H    ARG   8           H        ARG   8   5.251   4.296   0.606
   62    HA   ARG   8           HA       ARG   8   3.800   6.758   0.042
   63    HB2  ARG   8           1HB      ARG   8   5.369   6.857  -1.941
   64    HB3  ARG   8           2HB      ARG   8   6.175   6.855  -0.376
   65    HG2  ARG   8           1HG      ARG   8   6.603   4.444  -0.569
   66    HG3  ARG   8           2HG      ARG   8   5.762   4.402  -2.118
   67    HD2  ARG   8           1HD      ARG   8   8.144   4.535  -2.548
   68    HD3  ARG   8           2HD      ARG   8   7.406   6.069  -2.998
   69    HE   ARG   8           HE       ARG   8   8.508   7.096  -1.200
   70   HH11  ARG   8          1HH2      ARG   8   8.833   3.650  -1.135
   71   HH12  ARG   8          2HH2      ARG   8  10.067   3.650   0.078
   72   HH21  ARG   8          1HH1      ARG   8  10.128   7.102   0.393
   73   HH22  ARG   8          2HH1      ARG   8  10.800   5.605   0.943
   74    H    ARG   9           H        ARG   9   4.472   5.694  -2.915
   75    HA   ARG   9           HA       ARG   9   1.764   4.673  -3.356
   76    HB2  ARG   9           1HB      ARG   9   3.979   5.290  -5.331
   77    HB3  ARG   9           2HB      ARG   9   2.303   4.918  -5.732
   78    HG2  ARG   9           1HG      ARG   9   1.510   6.934  -4.735
   79    HG3  ARG   9           2HG      ARG   9   3.057   7.233  -3.940
   80    HD2  ARG   9           1HD      ARG   9   4.138   7.702  -6.028
   81    HD3  ARG   9           2HD      ARG   9   2.751   7.120  -6.947
   82    HE   ARG   9           HE       ARG   9   2.001   9.283  -5.243
   83   HH11  ARG   9          1HH2      ARG   9   3.679   8.474  -8.158
   84   HH12  ARG   9          2HH2      ARG   9   3.389  10.005  -8.914
   85   HH21  ARG   9          1HH1      ARG   9   1.616  11.294  -6.228
   86   HH22  ARG   9          2HH1      ARG   9   2.220  11.601  -7.821
   87    HA   PRO  10           HA       PRO  10   3.689   0.587  -2.724
   88    HB2  PRO  10           1HB      PRO  10   1.186  -0.304  -4.133
   89    HB3  PRO  10           2HB      PRO  10   1.924  -0.928  -2.643
   90    HG2  PRO  10           1HG      PRO  10  -0.235   0.645  -2.583
   91    HG3  PRO  10           2HG      PRO  10   1.026   0.742  -1.338
   92    HD2  PRO  10           1HD      PRO  10   0.433   2.644  -3.568
   93    HD3  PRO  10           2HD      PRO  10   1.142   2.954  -1.968
   94    H    TYR  11           H        TYR  11   1.749   0.810  -5.722
   95    HA   TYR  11           HA       TYR  11   4.085   0.651  -7.415
   96    HB2  TYR  11           1HB      TYR  11   2.158  -1.679  -7.239
   97    HB3  TYR  11           2HB      TYR  11   3.334  -1.457  -8.537
   98    HD1  TYR  11           HD2      TYR  11   5.745  -1.626  -8.101
   99    HD2  TYR  11           HD1      TYR  11   2.860  -2.276  -4.987
  100    HE1  TYR  11           HE2      TYR  11   7.504  -2.657  -6.688
  101    HE2  TYR  11           HE1      TYR  11   4.617  -3.307  -3.573
  102    HH   TYR  11           HH       TYR  11   7.388  -4.468  -4.643
  103    H    ILE  12           H        ILE  12   1.189   1.841  -6.742
  104    HA   ILE  12           HA       ILE  12  -0.261   1.671  -9.174
  105    HB   ILE  12           HB       ILE  12  -1.501   3.634  -8.295
  106   HG12  ILE  12          1HG1      ILE  12   0.465   3.492  -5.990
  107   HG13  ILE  12          2HG1      ILE  12   0.515   4.728  -7.249
  108   HG21  ILE  12          1HG2      ILE  12  -2.440   2.489  -6.407
  109   HG22  ILE  12          2HG2      ILE  12  -0.937   1.617  -6.112
  110   HG23  ILE  12          3HG2      ILE  12  -1.906   1.246  -7.537
  111   HD11  ILE  12          3HD1      ILE  12  -0.705   5.592  -5.317
  112   HD12  ILE  12          1HD1      ILE  12  -1.786   4.197  -5.346
  113   HD13  ILE  12          2HD1      ILE  12  -1.822   5.367  -6.665
  114    H    LEU  13           H        LEU  13  -0.817   3.897 -10.313
  115    HA   LEU  13           HA       LEU  13   1.536   5.574 -10.722
  116    HB2  LEU  13           1HB      LEU  13   1.198   5.112 -13.305
  117    HB3  LEU  13           2HB      LEU  13   2.202   4.036 -12.333
  118    HG   LEU  13           HG       LEU  13   0.337   2.481 -12.054
  119   HD11  LEU  13          1HD1      LEU  13  -1.751   2.968 -13.483
  120   HD12  LEU  13          2HD1      LEU  13  -1.180   4.637 -13.534
  121   HD13  LEU  13          3HD1      LEU  13  -1.577   3.887 -11.988
  122   HD21  LEU  13          3HD2      LEU  13   0.475   3.264 -14.975
  123   HD22  LEU  13          1HD2      LEU  13   0.247   1.652 -14.297
  124   HD23  LEU  13          2HD2      LEU  13   1.806   2.461 -14.142
  Start of MODEL    2
    1    H1   GLU   1           1H       GLU   1  -7.337  -4.020  10.285
    2    H2   GLU   1           2H       GLU   1  -7.108  -2.953   8.984
    3    H3   GLU   1           3H       GLU   1  -5.790  -3.814   9.621
    4    HA   GLU   1           HA       GLU   1  -7.989  -5.462   8.718
    5    HB2  GLU   1           1HB      GLU   1  -7.983  -3.608   7.047
    6    HB3  GLU   1           2HB      GLU   1  -6.279  -3.938   6.730
    7    HG2  GLU   1           1HG      GLU   1  -6.808  -6.194   5.996
    8    HG3  GLU   1           2HG      GLU   1  -8.504  -5.969   6.410
    9    H    LEU   2           H        LEU   2  -7.191  -7.485   8.211
   10    HA   LEU   2           HA       LEU   2  -4.687  -8.232   9.286
   11    HB2  LEU   2           1HB      LEU   2  -6.542  -9.689   7.393
   12    HB3  LEU   2           2HB      LEU   2  -5.120 -10.421   8.127
   13    HG   LEU   2           HG       LEU   2  -7.353  -9.150   9.737
   14   HD11  LEU   2          1HD1      LEU   2  -6.918 -12.062   9.013
   15   HD12  LEU   2          2HD1      LEU   2  -8.229 -11.042   8.424
   16   HD13  LEU   2          3HD1      LEU   2  -8.141 -11.466  10.133
   17   HD21  LEU   2          3HD2      LEU   2  -4.902 -10.796  10.389
   18   HD22  LEU   2          1HD2      LEU   2  -6.302 -10.838  11.459
   19   HD23  LEU   2          2HD2      LEU   2  -5.474  -9.315  11.154
   20    H    TYR   3           H        TYR   3  -5.751  -7.614   5.974
   21    HA   TYR   3           HA       TYR   3  -3.333  -8.434   4.717
   22    HB2  TYR   3           1HB      TYR   3  -5.503  -6.535   3.797
   23    HB3  TYR   3           2HB      TYR   3  -4.204  -7.142   2.772
   24    HD1  TYR   3           HD2      TYR   3  -7.286  -8.007   4.587
   25    HD2  TYR   3           HD1      TYR   3  -4.140  -9.497   2.067
   26    HE1  TYR   3           HE2      TYR   3  -8.605 -10.063   4.153
   27    HE2  TYR   3           HE1      TYR   3  -5.470 -11.546   1.631
   28    HH   TYR   3           HH       TYR   3  -8.781 -11.834   2.603
   29    H    GLU   4           H        GLU   4  -1.521  -7.260   4.150
   30    HA   GLU   4           HA       GLU   4  -0.838  -5.033   5.764
   31    HB2  GLU   4           1HB      GLU   4   0.470  -6.113   3.248
   32    HB3  GLU   4           2HB      GLU   4   1.158  -4.842   4.259
   33    HG2  GLU   4           1HG      GLU   4   2.194  -6.775   5.100
   34    HG3  GLU   4           2HG      GLU   4   0.854  -6.546   6.217
   35    H    ASN   5           H        ASN   5  -1.089  -2.911   5.477
   36    HA   ASN   5           HA       ASN   5  -2.681  -1.970   3.245
   37    HB2  ASN   5           1HB      ASN   5  -2.673   0.163   4.415
   38    HB3  ASN   5           2HB      ASN   5  -3.036  -1.131   5.555
   39   HD21  ASN   5          2HD2      ASN   5  -2.081   1.172   6.682
   40   HD22  ASN   5          1HD2      ASN   5  -0.464   0.993   7.164
   41    H    LYS   6           H        LYS   6  -2.034  -0.066   1.983
   42    HA   LYS   6           HA       LYS   6   0.465  -0.431   0.712
   43    HB2  LYS   6           1HB      LYS   6  -1.581   1.783   0.650
   44    HB3  LYS   6           2HB      LYS   6  -0.093   1.880  -0.296
   45    HG2  LYS   6           1HG      LYS   6  -0.659  -0.189  -1.463
   46    HG3  LYS   6           2HG      LYS   6  -2.083  -0.411  -0.448
   47    HD2  LYS   6           1HD      LYS   6  -3.181   1.478  -1.383
   48    HD3  LYS   6           2HD      LYS   6  -1.695   2.073  -2.126
   49    HE2  LYS   6           1HE      LYS   6  -3.116   1.036  -3.828
   50    HE3  LYS   6           2HE      LYS   6  -1.657   0.074  -3.600
   51    HZ1  LYS   6           3HZ      LYS   6  -3.865  -1.149  -3.666
   52    HZ2  LYS   6           1HZ      LYS   6  -4.150  -0.508  -2.123
   53    HZ3  LYS   6           2HZ      LYS   6  -2.815  -1.525  -2.383
   54    HA   PRO   7           HA       PRO   7   2.878   2.250   3.362
   55    HB2  PRO   7           1HB      PRO   7   5.122   2.499   1.978
   56    HB3  PRO   7           2HB      PRO   7   4.560   0.867   2.399
   57    HG2  PRO   7           1HG      PRO   7   4.187   2.363  -0.173
   58    HG3  PRO   7           2HG      PRO   7   4.804   0.712   0.076
   59    HD2  PRO   7           1HD      PRO   7   2.158   1.264  -0.536
   60    HD3  PRO   7           2HD      PRO   7   2.677  -0.175   0.379
   61    H    ARG   8           H        ARG   8   4.628   3.816   1.011
   62    HA   ARG   8           HA       ARG   8   3.041   6.247   1.274
   63    HB2  ARG   8           1HB      ARG   8   5.521   6.303   1.555
   64    HB3  ARG   8           2HB      ARG   8   5.696   5.805  -0.123
   65    HG2  ARG   8           1HG      ARG   8   4.482   7.836  -0.845
   66    HG3  ARG   8           2HG      ARG   8   4.324   8.334   0.838
   67    HD2  ARG   8           1HD      ARG   8   6.221   9.485  -0.159
   68    HD3  ARG   8           2HD      ARG   8   6.810   8.329   1.032
   69    HE   ARG   8           HE       ARG   8   6.722   7.125  -1.544
   70   HH11  ARG   8          1HH2      ARG   8   8.439   9.447   0.370
   71   HH12  ARG   8          2HH2      ARG   8   9.939   9.228  -0.467
   72   HH21  ARG   8          1HH1      ARG   8   8.691   6.845  -2.648
   73   HH22  ARG   8          2HH1      ARG   8  10.076   7.776  -2.184
   74    H    ARG   9           H        ARG   9   4.822   5.889  -1.622
   75    HA   ARG   9           HA       ARG   9   2.341   5.787  -3.205
   76    HB2  ARG   9           1HB      ARG   9   5.165   6.663  -3.800
   77    HB3  ARG   9           2HB      ARG   9   4.031   6.306  -5.099
   78    HG2  ARG   9           1HG      ARG   9   2.426   7.953  -3.974
   79    HG3  ARG   9           2HG      ARG   9   3.786   8.438  -2.967
   80    HD2  ARG   9           1HD      ARG   9   5.033   8.689  -5.287
   81    HD3  ARG   9           2HD      ARG   9   3.392   8.804  -5.919
   82    HE   ARG   9           HE       ARG   9   3.167  10.874  -4.865
   83   HH11  ARG   9          1HH2      ARG   9   6.056   9.241  -3.846
   84   HH12  ARG   9          2HH2      ARG   9   6.699  10.626  -3.030
   85   HH21  ARG   9          1HH1      ARG   9   4.024  12.678  -3.810
   86   HH22  ARG   9          2HH1      ARG   9   5.556  12.567  -3.011
   87    HA   PRO  10           HA       PRO  10   3.704   1.433  -3.564
   88    HB2  PRO  10           1HB      PRO  10   1.344   1.124  -5.355
   89    HB3  PRO  10           2HB      PRO  10   1.768   0.225  -3.888
   90    HG2  PRO  10           1HG      PRO  10  -0.235   2.036  -3.962
   91    HG3  PRO  10           2HG      PRO  10   0.729   1.728  -2.505
   92    HD2  PRO  10           1HD      PRO  10   0.866   4.043  -4.405
   93    HD3  PRO  10           2HD      PRO  10   1.143   3.992  -2.650
   94    H    TYR  11           H        TYR  11   4.344   3.800  -5.475
   95    HA   TYR  11           HA       TYR  11   5.386   4.117  -7.484
   96    HB2  TYR  11           1HB      TYR  11   6.801   2.254  -6.580
   97    HB3  TYR  11           2HB      TYR  11   5.774   1.113  -7.452
   98    HD1  TYR  11           HD1      TYR  11   7.958   4.108  -7.907
   99    HD2  TYR  11           HD2      TYR  11   6.120   0.696  -9.766
  100    HE1  TYR  11           HE1      TYR  11   9.254   4.535  -9.979
  101    HE2  TYR  11           HE2      TYR  11   7.422   1.124 -11.834
  102    HH   TYR  11           HH       TYR  11   9.309   2.254 -12.616
  103    H    ILE  12           H        ILE  12   2.511   3.557  -7.334
  104    HA   ILE  12           HA       ILE  12   2.076   2.780 -10.154
  105    HB   ILE  12           HB       ILE  12   1.463   0.928  -8.514
  106   HG12  ILE  12          1HG1      ILE  12  -0.770   0.534  -9.606
  107   HG13  ILE  12          2HG1      ILE  12  -0.693   2.168 -10.261
  108   HG21  ILE  12          1HG2      ILE  12  -0.941   2.633  -7.868
  109   HG22  ILE  12          2HG2      ILE  12   0.508   2.704  -6.867
  110   HG23  ILE  12          3HG2      ILE  12  -0.361   1.181  -7.050
  111   HD11  ILE  12          3HD1      ILE  12   0.168   0.035 -11.643
  112   HD12  ILE  12          1HD1      ILE  12   1.659   0.383 -10.769
  113   HD13  ILE  12          2HD1      ILE  12   0.931   1.612 -11.805
  114    H    LEU  13           H        LEU  13   0.597   3.999 -11.250
  115    HA   LEU  13           HA       LEU  13  -1.287   5.715  -9.930
  116    HB2  LEU  13           1HB      LEU  13  -0.141   7.807 -11.071
  117    HB3  LEU  13           2HB      LEU  13   0.389   7.266  -9.482
  118    HG   LEU  13           HG       LEU  13   2.243   6.022 -10.482
  119   HD11  LEU  13          1HD1      LEU  13   1.355   5.274 -12.565
  120   HD12  LEU  13          2HD1      LEU  13   2.637   6.407 -12.990
  121   HD13  LEU  13          3HD1      LEU  13   0.950   6.917 -13.065
  122   HD21  LEU  13          3HD2      LEU  13   3.451   7.987 -11.535
  123   HD22  LEU  13          1HD2      LEU  13   2.716   8.337  -9.970
  124   HD23  LEU  13          2HD2      LEU  13   1.932   8.876 -11.455
  Start of MODEL    3
    1    H1   GLU   1           1H       GLU   1  -4.849 -12.379   7.108
    2    H2   GLU   1           2H       GLU   1  -6.087 -12.615   8.245
    3    H3   GLU   1           3H       GLU   1  -4.559 -13.311   8.497
    4    HA   GLU   1           HA       GLU   1  -4.984 -11.313   9.870
    5    HB2  GLU   1           1HB      GLU   1  -2.804 -10.214   9.265
    6    HB3  GLU   1           2HB      GLU   1  -2.697 -11.962   9.453
    7    HG2  GLU   1           1HG      GLU   1  -3.149 -10.651   6.764
    8    HG3  GLU   1           2HG      GLU   1  -1.536 -10.975   7.394
    9    H    LEU   2           H        LEU   2  -5.008  -8.963   9.857
   10    HA   LEU   2           HA       LEU   2  -6.830  -7.916   7.919
   11    HB2  LEU   2           1HB      LEU   2  -5.190  -6.448   9.995
   12    HB3  LEU   2           2HB      LEU   2  -6.614  -5.826   9.163
   13    HG   LEU   2           HG       LEU   2  -6.574  -8.251  10.989
   14   HD11  LEU   2          1HD1      LEU   2  -7.689  -6.843  12.605
   15   HD12  LEU   2          2HD1      LEU   2  -7.812  -5.523  11.441
   16   HD13  LEU   2          3HD1      LEU   2  -6.236  -5.993  12.077
   17   HD21  LEU   2          3HD2      LEU   2  -8.720  -6.892   9.350
   18   HD22  LEU   2          1HD2      LEU   2  -9.141  -7.767  10.822
   19   HD23  LEU   2          2HD2      LEU   2  -8.368  -8.616   9.487
   20    H    TYR   3           H        TYR   3  -6.501  -6.377   6.335
   21    HA   TYR   3           HA       TYR   3  -3.899  -6.405   5.088
   22    HB2  TYR   3           1HB      TYR   3  -4.987  -5.134   3.308
   23    HB3  TYR   3           2HB      TYR   3  -5.996  -6.503   3.778
   24    HD1  TYR   3           HD1      TYR   3  -8.044  -6.178   5.086
   25    HD2  TYR   3           HD2      TYR   3  -5.642  -2.846   3.838
   26    HE1  TYR   3           HE1      TYR   3  -9.910  -4.639   5.618
   27    HE2  TYR   3           HE2      TYR   3  -7.510  -1.302   4.359
   28    HH   TYR   3           HH       TYR   3  -9.539  -1.334   5.913
   29    H    GLU   4           H        GLU   4  -2.394  -4.835   5.073
   30    HA   GLU   4           HA       GLU   4  -2.680  -2.617   6.924
   31    HB2  GLU   4           1HB      GLU   4  -0.305  -2.106   6.130
   32    HB3  GLU   4           2HB      GLU   4  -0.536  -3.632   6.978
   33    HG2  GLU   4           1HG      GLU   4  -0.717  -3.492   3.966
   34    HG3  GLU   4           2HG      GLU   4   0.841  -3.643   4.773
   35    H    ASN   5           H        ASN   5  -2.258  -0.409   6.329
   36    HA   ASN   5           HA       ASN   5  -3.706   0.395   3.988
   37    HB2  ASN   5           1HB      ASN   5  -3.517   1.621   6.246
   38    HB3  ASN   5           2HB      ASN   5  -1.953   2.186   5.669
   39   HD21  ASN   5          2HD2      ASN   5  -3.495   4.295   5.996
   40   HD22  ASN   5          1HD2      ASN   5  -4.245   4.819   4.566
   41    H    LYS   6           H        LYS   6  -2.466   2.427   2.804
   42    HA   LYS   6           HA       LYS   6  -0.759   1.341   0.945
   43    HB2  LYS   6           1HB      LYS   6  -0.874   4.181   1.971
   44    HB3  LYS   6           2HB      LYS   6   0.063   3.697   0.556
   45    HG2  LYS   6           1HG      LYS   6  -1.905   3.047  -0.640
   46    HG3  LYS   6           2HG      LYS   6  -2.899   3.118   0.816
   47    HD2  LYS   6           1HD      LYS   6  -2.752   5.501   0.915
   48    HD3  LYS   6           2HD      LYS   6  -1.480   5.541  -0.308
   49    HE2  LYS   6           1HE      LYS   6  -4.295   4.540  -0.806
   50    HE3  LYS   6           2HE      LYS   6  -3.736   6.161  -1.212
   51    HZ1  LYS   6           3HZ      LYS   6  -3.253   5.169  -3.159
   52    HZ2  LYS   6           1HZ      LYS   6  -3.131   3.618  -2.484
   53    HZ3  LYS   6           2HZ      LYS   6  -1.836   4.709  -2.344
   54    HA   PRO   7           HA       PRO   7   3.112   1.241   3.228
   55    HB2  PRO   7           1HB      PRO   7   4.817   0.543   1.331
   56    HB3  PRO   7           2HB      PRO   7   3.416  -0.508   1.627
   57    HG2  PRO   7           1HG      PRO   7   3.759   1.594  -0.482
   58    HG3  PRO   7           2HG      PRO   7   3.200  -0.085  -0.662
   59    HD2  PRO   7           1HD      PRO   7   1.479   2.086  -0.404
   60    HD3  PRO   7           2HD      PRO   7   1.056   0.414   0.043
   61    H    ARG   8           H        ARG   8   5.151   2.122   0.772
   62    HA   ARG   8           HA       ARG   8   5.439   4.830   1.794
   63    HB2  ARG   8           1HB      ARG   8   7.036   3.122  -0.121
   64    HB3  ARG   8           2HB      ARG   8   7.394   4.829   0.116
   65    HG2  ARG   8           1HG      ARG   8   7.173   3.025   2.520
   66    HG3  ARG   8           2HG      ARG   8   8.651   3.016   1.559
   67    HD2  ARG   8           1HD      ARG   8   8.794   5.497   1.830
   68    HD3  ARG   8           2HD      ARG   8   7.392   5.434   2.894
   69    HE   ARG   8           HE       ARG   8   9.574   3.691   3.683
   70   HH11  ARG   8          1HH2      ARG   8   8.090   6.806   3.894
   71   HH12  ARG   8          2HH2      ARG   8   8.868   7.235   5.380
   72   HH21  ARG   8          1HH1      ARG   8  10.581   4.218   5.632
   73   HH22  ARG   8          2HH1      ARG   8  10.286   5.753   6.378
   74    H    ARG   9           H        ARG   9   6.435   4.726  -1.342
   75    HA   ARG   9           HA       ARG   9   4.097   6.230  -2.291
   76    HB2  ARG   9           1HB      ARG   9   6.739   5.866  -3.705
   77    HB3  ARG   9           2HB      ARG   9   5.542   7.135  -3.946
   78    HG2  ARG   9           1HG      ARG   9   7.307   6.731  -1.514
   79    HG3  ARG   9           2HG      ARG   9   7.367   8.070  -2.662
   80    HD2  ARG   9           1HD      ARG   9   5.258   7.463  -0.597
   81    HD3  ARG   9           2HD      ARG   9   6.162   8.956  -0.841
   82    HE   ARG   9           HE       ARG   9   4.664   8.471  -3.163
   83   HH11  ARG   9          1HH2      ARG   9   4.224   9.178   0.192
   84   HH12  ARG   9          2HH2      ARG   9   2.718  10.004  -0.035
   85   HH21  ARG   9          1HH1      ARG   9   2.697   9.541  -3.476
   86   HH22  ARG   9          2HH1      ARG   9   1.858  10.226  -2.125
   87    HA   PRO  10           HA       PRO  10   3.441   2.160  -4.206
   88    HB2  PRO  10           1HB      PRO  10   0.841   2.435  -4.943
   89    HB3  PRO  10           2HB      PRO  10   1.323   2.154  -3.256
   90    HG2  PRO  10           1HG      PRO  10   0.571   4.713  -4.604
   91    HG3  PRO  10           2HG      PRO  10   0.111   4.109  -3.001
   92    HD2  PRO  10           1HD      PRO  10   2.122   5.946  -3.407
   93    HD3  PRO  10           2HD      PRO  10   2.087   4.836  -2.016
   94    H    TYR  11           H        TYR  11   3.293   1.391  -6.371
   95    HA   TYR  11           HA       TYR  11   4.402   2.929  -8.367
   96    HB2  TYR  11           1HB      TYR  11   2.495   0.594  -8.656
   97    HB3  TYR  11           2HB      TYR  11   3.502   1.235  -9.954
   98    HD1  TYR  11           HD1      TYR  11   6.024   1.248  -9.662
   99    HD2  TYR  11           HD2      TYR  11   3.389  -0.893  -7.028
  100    HE1  TYR  11           HE1      TYR  11   7.937  -0.103  -8.845
  101    HE2  TYR  11           HE2      TYR  11   5.307  -2.246  -6.213
  102    HH   TYR  11           HH       TYR  11   7.991  -1.768  -6.125
  103    H    ILE  12           H        ILE  12   1.184   1.765  -9.121
  104    HA   ILE  12           HA       ILE  12  -0.492   2.826 -10.323
  105    HB   ILE  12           HB       ILE  12  -0.097   4.882  -8.134
  106   HG12  ILE  12          1HG1      ILE  12  -0.208   2.684  -7.108
  107   HG13  ILE  12          2HG1      ILE  12  -1.763   3.481  -6.880
  108   HG21  ILE  12          1HG2      ILE  12  -2.592   5.102  -8.406
  109   HG22  ILE  12          2HG2      ILE  12  -2.475   4.064  -9.827
  110   HG23  ILE  12          3HG2      ILE  12  -1.669   5.633  -9.812
  111   HD11  ILE  12          3HD1      ILE  12  -1.057   1.215  -8.729
  112   HD12  ILE  12          1HD1      ILE  12  -2.440   2.248  -9.092
  113   HD13  ILE  12          2HD1      ILE  12  -2.392   1.334  -7.585
  114    H    LEU  13           H        LEU  13   1.143   3.228 -12.075
  115    HA   LEU  13           HA       LEU  13   2.118   5.965 -12.315
  116    HB2  LEU  13           1HB      LEU  13   2.369   3.453 -13.961
  117    HB3  LEU  13           2HB      LEU  13   2.776   5.013 -14.673
  118    HG   LEU  13           HG       LEU  13   4.346   5.433 -12.787
  119   HD11  LEU  13          1HD1      LEU  13   3.395   4.106 -11.036
  120   HD12  LEU  13          2HD1      LEU  13   4.960   3.386 -11.409
  121   HD13  LEU  13          3HD1      LEU  13   3.480   2.638 -12.012
  122   HD21  LEU  13          3HD2      LEU  13   4.853   2.791 -14.189
  123   HD22  LEU  13          1HD2      LEU  13   6.071   3.893 -13.551
  124   HD23  LEU  13          2HD2      LEU  13   5.085   4.372 -14.934
  Start of MODEL    4
    1    H1   GLU   1           1H       GLU   1  -6.246  -9.849   7.029
    2    H2   GLU   1           2H       GLU   1  -5.426  -9.193   8.365
    3    H3   GLU   1           3H       GLU   1  -5.555 -10.877   8.187
    4    HA   GLU   1           HA       GLU   1  -3.355  -9.717   7.563
    5    HB2  GLU   1           1HB      GLU   1  -3.108 -11.372   5.651
    6    HB3  GLU   1           2HB      GLU   1  -3.684 -12.064   7.169
    7    HG2  GLU   1           1HG      GLU   1  -5.603 -11.110   5.039
    8    HG3  GLU   1           2HG      GLU   1  -4.936 -12.742   5.024
    9    H    LEU   2           H        LEU   2  -5.838  -8.108   6.623
   10    HA   LEU   2           HA       LEU   2  -5.281  -7.536   3.850
   11    HB2  LEU   2           1HB      LEU   2  -6.855  -5.447   4.633
   12    HB3  LEU   2           2HB      LEU   2  -7.497  -7.020   4.171
   13    HG   LEU   2           HG       LEU   2  -6.669  -6.584   7.037
   14   HD11  LEU   2          1HD1      LEU   2  -9.015  -5.823   7.510
   15   HD12  LEU   2          2HD1      LEU   2  -9.244  -5.611   5.774
   16   HD13  LEU   2          3HD1      LEU   2  -8.045  -4.640   6.629
   17   HD21  LEU   2          3HD2      LEU   2  -8.203  -8.330   7.475
   18   HD22  LEU   2          1HD2      LEU   2  -7.494  -8.808   5.934
   19   HD23  LEU   2          2HD2      LEU   2  -9.085  -8.060   5.973
   20    H    TYR   3           H        TYR   3  -3.707  -6.278   3.137
   21    HA   TYR   3           HA       TYR   3  -2.140  -4.665   4.961
   22    HB2  TYR   3           1HB      TYR   3  -1.952  -5.123   1.976
   23    HB3  TYR   3           2HB      TYR   3  -0.798  -4.169   2.908
   24    HD1  TYR   3           HD1      TYR   3   0.673  -5.232   4.569
   25    HD2  TYR   3           HD2      TYR   3  -2.065  -7.544   2.200
   26    HE1  TYR   3           HE1      TYR   3   1.856  -7.309   5.226
   27    HE2  TYR   3           HE2      TYR   3  -0.883  -9.621   2.859
   28    HH   TYR   3           HH       TYR   3   1.919  -9.917   3.817
   29    H    GLU   4           H        GLU   4  -4.321  -3.451   5.346
   30    HA   GLU   4           HA       GLU   4  -5.195  -1.559   3.417
   31    HB2  GLU   4           1HB      GLU   4  -6.379  -0.510   5.314
   32    HB3  GLU   4           2HB      GLU   4  -6.624  -2.256   5.275
   33    HG2  GLU   4           1HG      GLU   4  -4.822  -2.532   6.954
   34    HG3  GLU   4           2HG      GLU   4  -4.629  -0.782   7.018
   35    H    ASN   5           H        ASN   5  -2.706  -1.519   5.887
   36    HA   ASN   5           HA       ASN   5  -2.227   1.341   5.603
   37    HB2  ASN   5           1HB      ASN   5  -0.764  -0.817   7.137
   38    HB3  ASN   5           2HB      ASN   5  -0.347   0.894   7.176
   39   HD21  ASN   5          2HD2      ASN   5  -1.851  -1.306   9.039
   40   HD22  ASN   5          1HD2      ASN   5  -3.072  -0.353   9.735
   41    H    LYS   6           H        LYS   6  -1.379   1.899   3.673
   42    HA   LYS   6           HA       LYS   6   0.527   0.244   2.282
   43    HB2  LYS   6           1HB      LYS   6   0.087   3.139   1.581
   44    HB3  LYS   6           2HB      LYS   6   0.313   1.755   0.517
   45    HG2  LYS   6           1HG      LYS   6  -2.171   2.331   2.155
   46    HG3  LYS   6           2HG      LYS   6  -2.008   2.503   0.408
   47    HD2  LYS   6           1HD      LYS   6  -1.368   0.031   0.359
   48    HD3  LYS   6           2HD      LYS   6  -1.923  -0.047   2.032
   49    HE2  LYS   6           1HE      LYS   6  -3.804  -0.681   0.721
   50    HE3  LYS   6           2HE      LYS   6  -4.113   0.985   1.202
   51    HZ1  LYS   6           3HZ      LYS   6  -3.509  -0.109  -1.423
   52    HZ2  LYS   6           1HZ      LYS   6  -2.785   1.381  -1.059
   53    HZ3  LYS   6           2HZ      LYS   6  -4.475   1.219  -0.992
   54    HA   PRO   7           HA       PRO   7   4.065   2.401   4.002
   55    HB2  PRO   7           1HB      PRO   7   6.020   1.735   2.342
   56    HB3  PRO   7           2HB      PRO   7   5.077   0.437   3.109
   57    HG2  PRO   7           1HG      PRO   7   4.856   1.544   0.337
   58    HG3  PRO   7           2HG      PRO   7   4.789  -0.145   0.880
   59    HD2  PRO   7           1HD      PRO   7   2.555   1.510   0.376
   60    HD3  PRO   7           2HD      PRO   7   2.522  -0.022   1.284
   61    H    ARG   8           H        ARG   8   5.667   2.917   1.078
   62    HA   ARG   8           HA       ARG   8   5.115   5.774   1.156
   63    HB2  ARG   8           1HB      ARG   8   6.941   6.001  -0.408
   64    HB3  ARG   8           2HB      ARG   8   7.459   4.867   0.837
   65    HG2  ARG   8           1HG      ARG   8   6.762   2.981  -0.669
   66    HG3  ARG   8           2HG      ARG   8   6.432   4.170  -1.933
   67    HD2  ARG   8           1HD      ARG   8   8.662   3.305  -2.286
   68    HD3  ARG   8           2HD      ARG   8   8.795   4.968  -1.723
   69    HE   ARG   8           HE       ARG   8   8.898   3.220   0.501
   70   HH11  ARG   8          1HH2      ARG   8  10.692   4.183  -2.296
   71   HH12  ARG   8          2HH2      ARG   8  12.239   3.896  -1.572
   72   HH21  ARG   8          1HH1      ARG   8  10.922   2.839   1.459
   73   HH22  ARG   8          2HH1      ARG   8  12.370   3.144   0.557
   74    H    ARG   9           H        ARG   9   5.375   6.304  -1.617
   75    HA   ARG   9           HA       ARG   9   2.711   5.976  -2.489
   76    HB2  ARG   9           1HB      ARG   9   4.315   7.721  -3.300
   77    HB3  ARG   9           2HB      ARG   9   5.163   6.457  -4.188
   78    HG2  ARG   9           1HG      ARG   9   2.919   5.929  -5.304
   79    HG3  ARG   9           2HG      ARG   9   2.337   7.446  -4.615
   80    HD2  ARG   9           1HD      ARG   9   4.347   8.566  -5.691
   81    HD3  ARG   9           2HD      ARG   9   4.625   7.058  -6.554
   82    HE   ARG   9           HE       ARG   9   2.532   8.992  -7.081
   83   HH11  ARG   9          1HH2      ARG   9   3.602   5.714  -7.349
   84   HH12  ARG   9          2HH2      ARG   9   2.597   5.349  -8.711
   85   HH21  ARG   9          1HH1      ARG   9   1.206   8.524  -8.868
   86   HH22  ARG   9          2HH1      ARG   9   1.245   6.944  -9.576
   87    HA   PRO  10           HA       PRO  10   3.469   1.582  -3.508
   88    HB2  PRO  10           1HB      PRO  10   0.722   1.674  -4.674
   89    HB3  PRO  10           2HB      PRO  10   1.388   0.578  -3.448
   90    HG2  PRO  10           1HG      PRO  10  -0.350   2.529  -2.828
   91    HG3  PRO  10           2HG      PRO  10   0.940   2.026  -1.721
   92    HD2  PRO  10           1HD      PRO  10   0.786   4.471  -3.451
   93    HD3  PRO  10           2HD      PRO  10   1.480   4.266  -1.829
   94    H    TYR  11           H        TYR  11   3.952   0.471  -5.434
   95    HA   TYR  11           HA       TYR  11   4.741   1.954  -7.663
   96    HB2  TYR  11           1HB      TYR  11   5.618  -0.288  -7.215
   97    HB3  TYR  11           2HB      TYR  11   4.020  -0.985  -7.491
   98    HD1  TYR  11           HD2      TYR  11   6.707   1.019  -9.144
   99    HD2  TYR  11           HD1      TYR  11   3.305  -1.548  -9.670
  100    HE1  TYR  11           HE2      TYR  11   7.160   0.913 -11.582
  101    HE2  TYR  11           HE1      TYR  11   3.757  -1.651 -12.105
  102    HH   TYR  11           HH       TYR  11   4.908  -0.313 -13.818
  103    H    ILE  12           H        ILE  12   1.648   0.657  -6.789
  104    HA   ILE  12           HA       ILE  12   0.506   0.776  -9.430
  105    HB   ILE  12           HB       ILE  12  -0.772   0.573  -6.691
  106   HG12  ILE  12          1HG1      ILE  12  -0.431  -1.540  -8.837
  107   HG13  ILE  12          2HG1      ILE  12   0.724  -1.322  -7.522
  108   HG21  ILE  12          1HG2      ILE  12  -2.413   1.482  -8.183
  109   HG22  ILE  12          2HG2      ILE  12  -2.747  -0.246  -8.083
  110   HG23  ILE  12          3HG2      ILE  12  -1.913   0.412  -9.492
  111   HD11  ILE  12          3HD1      ILE  12  -1.095  -3.073  -7.131
  112   HD12  ILE  12          1HD1      ILE  12  -2.235  -1.732  -7.033
  113   HD13  ILE  12          2HD1      ILE  12  -0.918  -1.856  -5.868
  114    H    LEU  13           H        LEU  13  -0.349   2.486 -10.429
  115    HA   LEU  13           HA       LEU  13  -0.379   5.069  -9.061
  116    HB2  LEU  13           1HB      LEU  13  -0.469   6.042 -11.209
  117    HB3  LEU  13           2HB      LEU  13   0.590   4.648 -11.386
  118    HG   LEU  13           HG       LEU  13  -1.840   3.488 -11.959
  119   HD11  LEU  13          1HD1      LEU  13  -2.794   5.913 -11.801
  120   HD12  LEU  13          2HD1      LEU  13  -3.258   4.914 -13.177
  121   HD13  LEU  13          3HD1      LEU  13  -2.017   6.155 -13.364
  122   HD21  LEU  13          3HD2      LEU  13  -1.198   3.885 -14.401
  123   HD22  LEU  13          1HD2      LEU  13   0.051   3.160 -13.389
  124   HD23  LEU  13          2HD2      LEU  13   0.128   4.875 -13.795
  Start of MODEL    5
    1    H1   GLU   1           1H       GLU   1  -4.374 -11.483  11.308
    2    H2   GLU   1           2H       GLU   1  -5.454 -10.207  11.609
    3    H3   GLU   1           3H       GLU   1  -4.235 -10.034  10.437
    4    HA   GLU   1           HA       GLU   1  -5.304 -11.947   9.225
    5    HB2  GLU   1           1HB      GLU   1  -6.650 -12.717  11.155
    6    HB3  GLU   1           2HB      GLU   1  -7.551 -11.201  11.120
    7    HG2  GLU   1           1HG      GLU   1  -8.357 -11.701   8.859
    8    HG3  GLU   1           2HG      GLU   1  -7.405 -13.184   8.830
    9    H    LEU   2           H        LEU   2  -6.035  -8.795  10.461
   10    HA   LEU   2           HA       LEU   2  -7.689  -7.943   8.276
   11    HB2  LEU   2           1HB      LEU   2  -6.140  -6.302  10.292
   12    HB3  LEU   2           2HB      LEU   2  -7.452  -5.723   9.264
   13    HG   LEU   2           HG       LEU   2  -7.707  -7.944  11.319
   14   HD11  LEU   2          1HD1      LEU   2  -9.081  -6.223  12.547
   15   HD12  LEU   2          2HD1      LEU   2  -8.525  -5.020  11.385
   16   HD13  LEU   2          3HD1      LEU   2  -7.367  -5.822  12.447
   17   HD21  LEU   2          3HD2      LEU   2 -10.230  -7.269  10.869
   18   HD22  LEU   2          1HD2      LEU   2  -9.409  -8.371   9.768
   19   HD23  LEU   2          2HD2      LEU   2  -9.593  -6.671   9.337
   20    H    TYR   3           H        TYR   3  -7.144  -6.629   6.539
   21    HA   TYR   3           HA       TYR   3  -4.568  -7.051   5.402
   22    HB2  TYR   3           1HB      TYR   3  -6.623  -6.746   4.052
   23    HB3  TYR   3           2HB      TYR   3  -6.712  -5.069   4.591
   24    HD1  TYR   3           HD2      TYR   3  -4.617  -7.515   2.730
   25    HD2  TYR   3           HD1      TYR   3  -5.351  -3.374   3.601
   26    HE1  TYR   3           HE2      TYR   3  -3.046  -6.858   0.927
   27    HE2  TYR   3           HE1      TYR   3  -3.779  -2.717   1.800
   28    HH   TYR   3           HH       TYR   3  -1.567  -4.716   0.469
   29    H    GLU   4           H        GLU   4  -2.779  -5.797   5.391
   30    HA   GLU   4           HA       GLU   4  -2.514  -3.740   7.343
   31    HB2  GLU   4           1HB      GLU   4  -0.660  -4.580   5.094
   32    HB3  GLU   4           2HB      GLU   4  -0.232  -3.456   6.382
   33    HG2  GLU   4           1HG      GLU   4   0.589  -5.480   7.222
   34    HG3  GLU   4           2HG      GLU   4  -0.995  -5.386   7.987
   35    H    ASN   5           H        ASN   5  -0.713  -2.402   5.041
   36    HA   ASN   5           HA       ASN   5  -2.740  -0.917   3.591
   37    HB2  ASN   5           1HB      ASN   5  -2.020   1.280   4.505
   38    HB3  ASN   5           2HB      ASN   5  -2.811   0.266   5.709
   39   HD21  ASN   5          2HD2      ASN   5  -1.469   1.847   7.172
   40   HD22  ASN   5          1HD2      ASN   5   0.107   1.349   7.561
   41    H    LYS   6           H        LYS   6  -1.642   0.937   2.354
   42    HA   LYS   6           HA       LYS   6   0.469  -0.165   0.800
   43    HB2  LYS   6           1HB      LYS   6   0.435   2.531   0.129
   44    HB3  LYS   6           2HB      LYS   6  -0.622   1.308  -0.581
   45    HG2  LYS   6           1HG      LYS   6  -2.394   1.816   0.955
   46    HG3  LYS   6           2HG      LYS   6  -1.332   2.800   1.955
   47    HD2  LYS   6           1HD      LYS   6  -2.568   4.379   0.703
   48    HD3  LYS   6           2HD      LYS   6  -1.027   4.283  -0.144
   49    HE2  LYS   6           1HE      LYS   6  -2.969   4.208  -1.700
   50    HE3  LYS   6           2HE      LYS   6  -1.992   2.744  -1.789
   51    HZ1  LYS   6           3HZ      LYS   6  -4.236   2.828   0.098
   52    HZ2  LYS   6           1HZ      LYS   6  -3.580   1.508  -0.739
   53    HZ3  LYS   6           2HZ      LYS   6  -4.575   2.618  -1.555
   54    HA   PRO   7           HA       PRO   7   3.881   1.648   3.036
   55    HB2  PRO   7           1HB      PRO   7   5.834   1.659   1.232
   56    HB3  PRO   7           2HB      PRO   7   5.029   0.120   1.611
   57    HG2  PRO   7           1HG      PRO   7   4.548   1.973  -0.693
   58    HG3  PRO   7           2HG      PRO   7   4.766   0.207  -0.705
   59    HD2  PRO   7           1HD      PRO   7   2.284   1.455  -0.711
   60    HD3  PRO   7           2HD      PRO   7   2.563  -0.192  -0.099
   61    H    ARG   8           H        ARG   8   5.402   3.148   0.434
   62    HA   ARG   8           HA       ARG   8   4.534   5.785   1.326
   63    HB2  ARG   8           1HB      ARG   8   6.995   5.025   0.681
   64    HB3  ARG   8           2HB      ARG   8   6.448   5.358  -0.961
   65    HG2  ARG   8           1HG      ARG   8   5.777   7.644  -0.261
   66    HG3  ARG   8           2HG      ARG   8   6.367   7.305   1.366
   67    HD2  ARG   8           1HD      ARG   8   8.628   6.844   0.384
   68    HD3  ARG   8           2HD      ARG   8   8.011   7.370  -1.180
   69    HE   ARG   8           HE       ARG   8   8.638   9.067   1.099
   70   HH11  ARG   8          1HH2      ARG   8   6.995   8.686  -1.924
   71   HH12  ARG   8          2HH2      ARG   8   6.865  10.388  -2.225
   72   HH21  ARG   8          1HH1      ARG   8   8.474  11.300   0.707
   73   HH22  ARG   8          2HH1      ARG   8   7.703  11.865  -0.737
   74    H    ARG   9           H        ARG   9   5.168   6.618  -1.600
   75    HA   ARG   9           HA       ARG   9   2.411   6.427  -2.495
   76    HB2  ARG   9           1HB      ARG   9   4.882   7.800  -3.559
   77    HB3  ARG   9           2HB      ARG   9   3.404   7.695  -4.516
   78    HG2  ARG   9           1HG      ARG   9   2.142   8.793  -2.709
   79    HG3  ARG   9           2HG      ARG   9   3.610   8.887  -1.736
   80    HD2  ARG   9           1HD      ARG   9   3.177  11.024  -2.893
   81    HD3  ARG   9           2HD      ARG   9   4.676  10.287  -3.453
   82    HE   ARG   9           HE       ARG   9   2.807   9.362  -5.218
   83   HH11  ARG   9          1HH2      ARG   9   3.756  12.472  -4.033
   84   HH12  ARG   9          2HH2      ARG   9   3.327  13.309  -5.486
   85   HH21  ARG   9          1HH1      ARG   9   2.240  10.452  -7.123
   86   HH22  ARG   9          2HH1      ARG   9   2.469  12.164  -7.238
   87    HA   PRO  10           HA       PRO  10   3.738   2.635  -4.535
   88    HB2  PRO  10           1HB      PRO  10   1.372   1.863  -5.656
   89    HB3  PRO  10           2HB      PRO  10   1.702   1.710  -3.917
   90    HG2  PRO  10           1HG      PRO  10   0.167   3.827  -5.369
   91    HG3  PRO  10           2HG      PRO  10  -0.230   2.988  -3.857
   92    HD2  PRO  10           1HD      PRO  10   0.872   5.491  -3.905
   93    HD3  PRO  10           2HD      PRO  10   1.172   4.341  -2.580
   94    H    TYR  11           H        TYR  11   4.067   1.842  -6.706
   95    HA   TYR  11           HA       TYR  11   4.572   3.901  -8.611
   96    HB2  TYR  11           1HB      TYR  11   4.561   0.894  -8.975
   97    HB3  TYR  11           2HB      TYR  11   5.276   2.066 -10.081
   98    HD1  TYR  11           HD2      TYR  11   7.210   3.478  -9.327
   99    HD2  TYR  11           HD1      TYR  11   5.676   0.235  -6.965
  100    HE1  TYR  11           HE2      TYR  11   9.296   3.468  -7.985
  101    HE2  TYR  11           HE1      TYR  11   7.762   0.224  -5.624
  102    HH   TYR  11           HH       TYR  11   9.673   1.299  -5.192
  103    H    ILE  12           H        ILE  12   2.175   4.607  -8.447
  104    HA   ILE  12           HA       ILE  12   0.193   3.085  -9.799
  105    HB   ILE  12           HB       ILE  12  -0.269   4.951  -8.182
  106   HG12  ILE  12          1HG1      ILE  12  -1.521   5.424 -10.899
  107   HG13  ILE  12          2HG1      ILE  12  -1.929   4.035  -9.891
  108   HG21  ILE  12          1HG2      ILE  12  -0.055   7.228  -8.875
  109   HG22  ILE  12          2HG2      ILE  12   0.294   6.760 -10.539
  110   HG23  ILE  12          3HG2      ILE  12   1.486   6.465  -9.273
  111   HD11  ILE  12          3HD1      ILE  12  -2.202   6.944  -9.076
  112   HD12  ILE  12          1HD1      ILE  12  -2.602   5.552  -8.067
  113   HD13  ILE  12          2HD1      ILE  12  -3.528   5.875  -9.533
  114    H    LEU  13           H        LEU  13   2.410   5.649 -10.846
  115    HA   LEU  13           HA       LEU  13   2.817   6.544 -12.939
  116    HB2  LEU  13           1HB      LEU  13   2.728   3.560 -13.303
  117    HB3  LEU  13           2HB      LEU  13   2.962   4.591 -14.714
  118    HG   LEU  13           HG       LEU  13   4.893   5.672 -13.565
  119   HD11  LEU  13          1HD1      LEU  13   4.180   3.640 -11.448
  120   HD12  LEU  13          2HD1      LEU  13   4.404   5.379 -11.257
  121   HD13  LEU  13          3HD1      LEU  13   5.794   4.338 -11.562
  122   HD21  LEU  13          3HD2      LEU  13   5.388   3.874 -15.090
  123   HD22  LEU  13          1HD2      LEU  13   4.927   2.660 -13.896
  124   HD23  LEU  13          2HD2      LEU  13   6.387   3.622 -13.658
  Start of MODEL    6
    1    H1   GLU   1           1H       GLU   1  -3.280  -7.974  10.795
    2    H2   GLU   1           2H       GLU   1  -2.979  -6.440  11.460
    3    H3   GLU   1           3H       GLU   1  -1.713  -7.561  11.296
    4    HA   GLU   1           HA       GLU   1  -2.548  -5.619   9.473
    5    HB2  GLU   1           1HB      GLU   1  -0.593  -6.452   8.215
    6    HB3  GLU   1           2HB      GLU   1  -0.222  -6.310   9.933
    7    HG2  GLU   1           1HG      GLU   1  -0.693  -8.735  10.213
    8    HG3  GLU   1           2HG      GLU   1  -0.986  -8.863   8.479
    9    H    LEU   2           H        LEU   2  -4.618  -7.643   9.806
   10    HA   LEU   2           HA       LEU   2  -4.712  -9.437   7.628
   11    HB2  LEU   2           1HB      LEU   2  -6.915  -8.150   9.254
   12    HB3  LEU   2           2HB      LEU   2  -7.194  -9.425   8.072
   13    HG   LEU   2           HG       LEU   2  -5.266  -9.711  10.394
   14   HD11  LEU   2          1HD1      LEU   2  -8.163 -10.585  10.185
   15   HD12  LEU   2          2HD1      LEU   2  -7.531  -9.342  11.263
   16   HD13  LEU   2          3HD1      LEU   2  -7.060 -11.025  11.489
   17   HD21  LEU   2          3HD2      LEU   2  -4.738 -11.379   8.799
   18   HD22  LEU   2          1HD2      LEU   2  -6.422 -11.588   8.321
   19   HD23  LEU   2          2HD2      LEU   2  -5.856 -12.206   9.872
   20    H    TYR   3           H        TYR   3  -5.841  -6.105   8.010
   21    HA   TYR   3           HA       TYR   3  -6.954  -5.991   5.346
   22    HB2  TYR   3           1HB      TYR   3  -6.377  -3.834   7.390
   23    HB3  TYR   3           2HB      TYR   3  -7.214  -3.564   5.861
   24    HD1  TYR   3           HD2      TYR   3  -9.456  -4.461   5.468
   25    HD2  TYR   3           HD1      TYR   3  -7.422  -5.110   9.196
   26    HE1  TYR   3           HE2      TYR   3 -11.584  -5.201   6.500
   27    HE2  TYR   3           HE1      TYR   3  -9.551  -5.851  10.229
   28    HH   TYR   3           HH       TYR   3 -11.720  -6.802   9.482
   29    H    GLU   4           H        GLU   4  -6.040  -5.103   3.531
   30    HA   GLU   4           HA       GLU   4  -3.194  -5.045   3.372
   31    HB2  GLU   4           1HB      GLU   4  -5.328  -4.154   1.414
   32    HB3  GLU   4           2HB      GLU   4  -3.607  -4.201   1.043
   33    HG2  GLU   4           1HG      GLU   4  -4.339  -6.277   0.242
   34    HG3  GLU   4           2HG      GLU   4  -3.748  -6.692   1.848
   35    H    ASN   5           H        ASN   5  -1.781  -3.379   3.355
   36    HA   ASN   5           HA       ASN   5  -2.783  -0.610   3.429
   37    HB2  ASN   5           1HB      ASN   5  -2.613  -1.300   5.779
   38    HB3  ASN   5           2HB      ASN   5  -0.948  -1.816   5.515
   39   HD21  ASN   5          2HD2      ASN   5  -3.047   1.097   5.374
   40   HD22  ASN   5          1HD2      ASN   5  -1.794   2.199   5.680
   41    H    LYS   6           H        LYS   6  -1.751   0.311   1.778
   42    HA   LYS   6           HA       LYS   6   0.512  -0.596   0.484
   43    HB2  LYS   6           1HB      LYS   6   0.576   2.302   0.392
   44    HB3  LYS   6           2HB      LYS   6   0.056   1.175  -0.861
   45    HG2  LYS   6           1HG      LYS   6  -1.731   2.049   1.428
   46    HG3  LYS   6           2HG      LYS   6  -1.676   2.871  -0.127
   47    HD2  LYS   6           1HD      LYS   6  -2.639   1.087  -1.282
   48    HD3  LYS   6           2HD      LYS   6  -2.113  -0.108  -0.100
   49    HE2  LYS   6           1HE      LYS   6  -4.627   0.532  -0.143
   50    HE3  LYS   6           2HE      LYS   6  -3.818   0.472   1.423
   51    HZ1  LYS   6           3HZ      LYS   6  -3.328   2.962   0.851
   52    HZ2  LYS   6           1HZ      LYS   6  -4.805   2.504   1.548
   53    HZ3  LYS   6           2HZ      LYS   6  -4.709   2.794  -0.124
   54    HA   PRO   7           HA       PRO   7   3.861   0.680   3.108
   55    HB2  PRO   7           1HB      PRO   7   5.889   1.000   1.418
   56    HB3  PRO   7           2HB      PRO   7   5.026  -0.552   1.442
   57    HG2  PRO   7           1HG      PRO   7   4.688   1.751  -0.448
   58    HG3  PRO   7           2HG      PRO   7   4.864   0.022  -0.815
   59    HD2  PRO   7           1HD      PRO   7   2.412   1.319  -0.652
   60    HD3  PRO   7           2HD      PRO   7   2.630  -0.426  -0.374
   61    H    ARG   8           H        ARG   8   5.491   2.610   0.889
   62    HA   ARG   8           HA       ARG   8   4.847   5.045   2.340
   63    HB2  ARG   8           1HB      ARG   8   7.209   4.516   1.824
   64    HB3  ARG   8           2HB      ARG   8   6.837   4.567   0.104
   65    HG2  ARG   8           1HG      ARG   8   6.126   6.932   0.338
   66    HG3  ARG   8           2HG      ARG   8   6.535   6.873   2.054
   67    HD2  ARG   8           1HD      ARG   8   8.876   6.255   1.417
   68    HD3  ARG   8           2HD      ARG   8   8.439   6.491  -0.272
   69    HE   ARG   8           HE       ARG   8   8.833   8.573   1.735
   70   HH11  ARG   8          1HH2      ARG   8   7.602   7.657  -1.370
   71   HH12  ARG   8          2HH2      ARG   8   7.610   9.270  -2.002
   72   HH21  ARG   8          1HH1      ARG   8   8.840  10.690   0.913
   73   HH22  ARG   8          2HH1      ARG   8   8.308  10.987  -0.709
   74    H    ARG   9           H        ARG   9   5.641   5.118  -1.027
   75    HA   ARG   9           HA       ARG   9   3.102   6.450  -1.619
   76    HB2  ARG   9           1HB      ARG   9   4.378   6.734  -3.913
   77    HB3  ARG   9           2HB      ARG   9   4.834   7.731  -2.532
   78    HG2  ARG   9           1HG      ARG   9   6.662   6.223  -1.980
   79    HG3  ARG   9           2HG      ARG   9   6.171   5.108  -3.254
   80    HD2  ARG   9           1HD      ARG   9   6.929   7.982  -3.808
   81    HD3  ARG   9           2HD      ARG   9   8.104   6.674  -3.807
   82    HE   ARG   9           HE       ARG   9   7.076   5.765  -5.740
   83   HH11  ARG   9          1HH2      ARG   9   5.508   8.648  -4.595
   84   HH12  ARG   9          2HH2      ARG   9   4.664   8.931  -6.077
   85   HH21  ARG   9          1HH1      ARG   9   5.956   6.139  -7.668
   86   HH22  ARG   9          2HH1      ARG   9   4.906   7.510  -7.808
   87    HA   PRO  10           HA       PRO  10   1.976   2.418  -3.189
   88    HB2  PRO  10           1HB      PRO  10  -0.516   2.960  -4.154
   89    HB3  PRO  10           2HB      PRO  10  -0.167   2.883  -2.416
   90    HG2  PRO  10           1HG      PRO  10  -0.412   5.281  -4.180
   91    HG3  PRO  10           2HG      PRO  10  -1.065   5.012  -2.552
   92    HD2  PRO  10           1HD      PRO  10   1.235   6.434  -3.008
   93    HD3  PRO  10           2HD      PRO  10   0.952   5.517  -1.510
   94    H    TYR  11           H        TYR  11   1.603   1.340  -5.256
   95    HA   TYR  11           HA       TYR  11   3.101   2.359  -7.376
   96    HB2  TYR  11           1HB      TYR  11   0.918   0.267  -7.402
   97    HB3  TYR  11           2HB      TYR  11   2.012   0.580  -8.748
   98    HD1  TYR  11           HD2      TYR  11   4.399   0.047  -8.592
   99    HD2  TYR  11           HD1      TYR  11   1.714  -0.775  -5.339
  100    HE1  TYR  11           HE2      TYR  11   6.111  -1.411  -7.547
  101    HE2  TYR  11           HE1      TYR  11   3.425  -2.235  -4.296
  102    HH   TYR  11           HH       TYR  11   5.869  -2.522  -4.338
  103    H    ILE  12           H        ILE  12   2.720   3.781  -8.923
  104    HA   ILE  12           HA       ILE  12   0.099   4.223 -10.032
  105    HB   ILE  12           HB       ILE  12  -0.062   5.545  -7.967
  106   HG12  ILE  12          1HG1      ILE  12   0.283   7.391 -10.345
  107   HG13  ILE  12          2HG1      ILE  12  -1.084   6.291 -10.168
  108   HG21  ILE  12          1HG2      ILE  12   2.012   7.501  -8.890
  109   HG22  ILE  12          2HG2      ILE  12   2.595   6.010  -8.149
  110   HG23  ILE  12          3HG2      ILE  12   1.514   7.075  -7.254
  111   HD11  ILE  12          3HD1      ILE  12  -1.862   7.393  -8.218
  112   HD12  ILE  12          1HD1      ILE  12  -1.407   8.701  -9.310
  113   HD13  ILE  12          2HD1      ILE  12  -0.333   8.242  -7.988
  114    H    LEU  13           H        LEU  13   1.404   3.526 -11.849
  115    HA   LEU  13           HA       LEU  13   3.340   5.527 -12.857
  116    HB2  LEU  13           1HB      LEU  13   2.788   2.704 -13.806
  117    HB3  LEU  13           2HB      LEU  13   4.067   3.768 -14.389
  118    HG   LEU  13           HG       LEU  13   3.779   2.786 -11.533
  119   HD11  LEU  13          1HD1      LEU  13   5.765   1.410 -12.065
  120   HD12  LEU  13          2HD1      LEU  13   5.715   1.990 -13.729
  121   HD13  LEU  13          3HD1      LEU  13   4.403   0.992 -13.104
  122   HD21  LEU  13          3HD2      LEU  13   4.948   4.815 -11.353
  123   HD22  LEU  13          1HD2      LEU  13   5.704   4.640 -12.936
  124   HD23  LEU  13          2HD2      LEU  13   6.266   3.670 -11.574
  Start of MODEL    7
    1    H1   GLU   1           1H       GLU   1  -3.545  -9.242   9.907
    2    H2   GLU   1           2H       GLU   1  -3.118  -8.053  11.043
    3    H3   GLU   1           3H       GLU   1  -2.281  -8.163   9.568
    4    HA   GLU   1           HA       GLU   1  -5.082  -7.296   9.999
    5    HB2  GLU   1           1HB      GLU   1  -3.269  -5.624  10.355
    6    HB3  GLU   1           2HB      GLU   1  -2.694  -5.934   8.715
    7    HG2  GLU   1           1HG      GLU   1  -4.854  -5.211   7.800
    8    HG3  GLU   1           2HG      GLU   1  -5.469  -4.941   9.430
    9    H    LEU   2           H        LEU   2  -6.445  -7.989   8.479
   10    HA   LEU   2           HA       LEU   2  -5.658  -9.438   6.186
   11    HB2  LEU   2           1HB      LEU   2  -8.270  -8.051   6.836
   12    HB3  LEU   2           2HB      LEU   2  -8.041  -9.153   5.481
   13    HG   LEU   2           HG       LEU   2  -7.569  -9.876   8.390
   14   HD11  LEU   2          1HD1      LEU   2  -9.834 -10.787   6.602
   15   HD12  LEU   2          2HD1      LEU   2  -9.979  -9.402   7.683
   16   HD13  LEU   2          3HD1      LEU   2  -9.673 -11.009   8.344
   17   HD21  LEU   2          3HD2      LEU   2  -7.260 -11.338   5.776
   18   HD22  LEU   2          1HD2      LEU   2  -7.808 -12.250   7.183
   19   HD23  LEU   2          2HD2      LEU   2  -6.261 -11.413   7.226
   20    H    TYR   3           H        TYR   3  -6.588  -6.055   6.652
   21    HA   TYR   3           HA       TYR   3  -6.543  -5.365   3.884
   22    HB2  TYR   3           1HB      TYR   3  -6.277  -3.655   6.369
   23    HB3  TYR   3           2HB      TYR   3  -6.487  -3.024   4.736
   24    HD1  TYR   3           HD1      TYR   3  -8.075  -4.994   7.441
   25    HD2  TYR   3           HD2      TYR   3  -8.614  -3.131   3.608
   26    HE1  TYR   3           HE1      TYR   3 -10.527  -5.296   7.639
   27    HE2  TYR   3           HE2      TYR   3 -11.069  -3.435   3.807
   28    HH   TYR   3           HH       TYR   3 -12.593  -4.214   6.705
   29    H    GLU   4           H        GLU   4  -4.922  -4.593   2.620
   30    HA   GLU   4           HA       GLU   4  -2.208  -5.071   3.480
   31    HB2  GLU   4           1HB      GLU   4  -3.384  -4.011   0.903
   32    HB3  GLU   4           2HB      GLU   4  -1.659  -4.281   1.156
   33    HG2  GLU   4           1HG      GLU   4  -2.056  -6.649   1.597
   34    HG3  GLU   4           2HG      GLU   4  -3.798  -6.408   1.471
   35    H    ASN   5           H        ASN   5  -0.803  -3.629   4.264
   36    HA   ASN   5           HA       ASN   5  -1.647  -0.851   4.596
   37    HB2  ASN   5           1HB      ASN   5   0.723  -2.429   5.612
   38    HB3  ASN   5           2HB      ASN   5   0.494  -0.709   5.925
   39   HD21  ASN   5          2HD2      ASN   5   0.507  -2.702   8.026
   40   HD22  ASN   5          1HD2      ASN   5  -1.045  -2.738   8.711
   41    H    LYS   6           H        LYS   6  -0.977   0.782   3.351
   42    HA   LYS   6           HA       LYS   6   0.802   0.278   1.137
   43    HB2  LYS   6           1HB      LYS   6  -0.524   2.826   2.088
   44    HB3  LYS   6           2HB      LYS   6   0.361   2.653   0.572
   45    HG2  LYS   6           1HG      LYS   6  -1.247   1.174  -0.339
   46    HG3  LYS   6           2HG      LYS   6  -1.937   0.804   1.243
   47    HD2  LYS   6           1HD      LYS   6  -2.754   3.146   1.411
   48    HD3  LYS   6           2HD      LYS   6  -2.127   3.462  -0.206
   49    HE2  LYS   6           1HE      LYS   6  -4.075   1.218   0.333
   50    HE3  LYS   6           2HE      LYS   6  -4.616   2.854  -0.034
   51    HZ1  LYS   6           3HZ      LYS   6  -4.269   2.463  -2.167
   52    HZ2  LYS   6           1HZ      LYS   6  -3.775   0.879  -1.818
   53    HZ3  LYS   6           2HZ      LYS   6  -2.630   2.134  -1.873
   54    HA   PRO   7           HA       PRO   7   4.352   2.032   3.253
   55    HB2  PRO   7           1HB      PRO   7   6.116   2.159   1.283
   56    HB3  PRO   7           2HB      PRO   7   5.373   0.585   1.636
   57    HG2  PRO   7           1HG      PRO   7   4.581   2.592  -0.447
   58    HG3  PRO   7           2HG      PRO   7   4.926   0.857  -0.653
   59    HD2  PRO   7           1HD      PRO   7   2.371   1.836  -0.318
   60    HD3  PRO   7           2HD      PRO   7   2.867   0.208   0.214
   61    H    ARG   8           H        ARG   8   5.804   3.763   0.914
   62    HA   ARG   8           HA       ARG   8   4.622   6.277   1.785
   63    HB2  ARG   8           1HB      ARG   8   7.101   6.065   1.605
   64    HB3  ARG   8           2HB      ARG   8   6.926   5.787  -0.128
   65    HG2  ARG   8           1HG      ARG   8   5.819   7.999  -0.352
   66    HG3  ARG   8           2HG      ARG   8   6.061   8.277   1.373
   67    HD2  ARG   8           1HD      ARG   8   8.299   7.730  -0.595
   68    HD3  ARG   8           2HD      ARG   8   7.821   9.340  -0.063
   69    HE   ARG   8           HE       ARG   8   9.287   7.365   1.486
   70   HH11  ARG   8          1HH2      ARG   8   7.319  10.211   1.477
   71   HH12  ARG   8          2HH2      ARG   8   7.885  10.776   3.013
   72   HH21  ARG   8          1HH1      ARG   8  10.034   8.099   3.503
   73   HH22  ARG   8          2HH1      ARG   8   9.421   9.579   4.162
   74    H    ARG   9           H        ARG   9   5.758   5.407  -1.429
   75    HA   ARG   9           HA       ARG   9   3.278   6.455  -2.603
   76    HB2  ARG   9           1HB      ARG   9   6.042   5.900  -3.668
   77    HB3  ARG   9           2HB      ARG   9   4.675   6.097  -4.765
   78    HG2  ARG   9           1HG      ARG   9   4.206   8.312  -3.821
   79    HG3  ARG   9           2HG      ARG   9   5.528   8.119  -2.671
   80    HD2  ARG   9           1HD      ARG   9   5.938   7.953  -5.661
   81    HD3  ARG   9           2HD      ARG   9   6.066   9.468  -4.770
   82    HE   ARG   9           HE       ARG   9   7.732   7.839  -3.388
   83   HH11  ARG   9          1HH2      ARG   9   7.320   8.556  -6.747
   84   HH12  ARG   9          2HH2      ARG   9   8.985   8.295  -7.149
   85   HH21  ARG   9          1HH1      ARG   9   9.920   7.503  -3.906
   86   HH22  ARG   9          2HH1      ARG   9  10.457   7.700  -5.541
   87    HA   PRO  10           HA       PRO  10   2.551   1.962  -2.802
   88    HB2  PRO  10           1HB      PRO  10  -0.144   2.020  -3.362
   89    HB3  PRO  10           2HB      PRO  10   0.522   2.212  -1.728
   90    HG2  PRO  10           1HG      PRO  10  -0.489   4.287  -3.611
   91    HG3  PRO  10           2HG      PRO  10  -0.633   4.196  -1.848
   92    HD2  PRO  10           1HD      PRO  10   1.193   5.797  -3.166
   93    HD3  PRO  10           2HD      PRO  10   1.416   5.210  -1.502
   94    H    TYR  11           H        TYR  11   3.454   3.700  -5.053
   95    HA   TYR  11           HA       TYR  11   3.568   3.724  -7.356
   96    HB2  TYR  11           1HB      TYR  11   3.074   0.783  -6.830
   97    HB3  TYR  11           2HB      TYR  11   3.665   1.450  -8.353
   98    HD1  TYR  11           HD2      TYR  11   4.451   0.984  -4.758
   99    HD2  TYR  11           HD1      TYR  11   5.933   2.202  -8.602
  100    HE1  TYR  11           HE2      TYR  11   6.763   0.999  -3.862
  101    HE2  TYR  11           HE1      TYR  11   8.246   2.215  -7.705
  102    HH   TYR  11           HH       TYR  11   9.343   2.455  -5.462
  103    H    ILE  12           H        ILE  12   1.768   4.946  -7.919
  104    HA   ILE  12           HA       ILE  12  -0.871   3.898  -8.091
  105    HB   ILE  12           HB       ILE  12  -0.286   6.335  -7.925
  106   HG12  ILE  12          1HG1      ILE  12  -2.009   7.071  -9.599
  107   HG13  ILE  12          2HG1      ILE  12  -1.984   5.450 -10.285
  108   HG21  ILE  12          1HG2      ILE  12   0.542   7.518  -9.816
  109   HG22  ILE  12          2HG2      ILE  12   0.288   6.140 -10.886
  110   HG23  ILE  12          3HG2      ILE  12   1.571   6.093  -9.677
  111   HD11  ILE  12          3HD1      ILE  12  -3.767   6.138  -8.428
  112   HD12  ILE  12          1HD1      ILE  12  -2.454   5.707  -7.333
  113   HD13  ILE  12          2HD1      ILE  12  -3.082   4.516  -8.473
  114    H    LEU  13           H        LEU  13   1.756   4.311 -10.424
  115    HA   LEU  13           HA       LEU  13   0.243   3.401 -12.674
  116    HB2  LEU  13           1HB      LEU  13   2.237   4.843 -12.905
  117    HB3  LEU  13           2HB      LEU  13   3.244   3.542 -12.277
  118    HG   LEU  13           HG       LEU  13   2.568   2.107 -14.185
  119   HD11  LEU  13          1HD1      LEU  13   1.471   3.522 -16.135
  120   HD12  LEU  13          2HD1      LEU  13   0.854   4.503 -14.805
  121   HD13  LEU  13          3HD1      LEU  13   0.451   2.789 -14.899
  122   HD21  LEU  13          3HD2      LEU  13   3.732   3.474 -15.964
  123   HD22  LEU  13          1HD2      LEU  13   4.601   3.388 -14.432
  124   HD23  LEU  13          2HD2      LEU  13   3.695   4.842 -14.852
  Start of MODEL    8
    1    H1   GLU   1           1H       GLU   1  -5.516  -8.365   9.110
    2    H2   GLU   1           2H       GLU   1  -4.485  -8.414  10.459
    3    H3   GLU   1           3H       GLU   1  -5.679  -9.605  10.255
    4    HA   GLU   1           HA       GLU   1  -3.062  -9.757   9.451
    5    HB2  GLU   1           1HB      GLU   1  -4.620 -11.613  10.030
    6    HB3  GLU   1           2HB      GLU   1  -5.453 -11.357   8.497
    7    HG2  GLU   1           1HG      GLU   1  -3.379 -11.843   7.270
    8    HG3  GLU   1           2HG      GLU   1  -2.521 -12.069   8.793
    9    H    LEU   2           H        LEU   2  -5.816  -8.591   7.698
   10    HA   LEU   2           HA       LEU   2  -4.686  -8.885   5.071
   11    HB2  LEU   2           1HB      LEU   2  -6.944  -7.084   5.979
   12    HB3  LEU   2           2HB      LEU   2  -6.612  -7.621   4.332
   13    HG   LEU   2           HG       LEU   2  -7.298  -9.449   6.654
   14   HD11  LEU   2          1HD1      LEU   2  -9.180  -7.996   5.863
   15   HD12  LEU   2          2HD1      LEU   2  -9.463  -9.712   5.571
   16   HD13  LEU   2          3HD1      LEU   2  -8.966  -8.663   4.244
   17   HD21  LEU   2          3HD2      LEU   2  -6.608  -9.904   3.749
   18   HD22  LEU   2          1HD2      LEU   2  -7.671 -11.032   4.590
   19   HD23  LEU   2          2HD2      LEU   2  -6.033 -10.768   5.176
   20    H    TYR   3           H        TYR   3  -4.807  -6.660   3.727
   21    HA   TYR   3           HA       TYR   3  -2.507  -5.220   4.352
   22    HB2  TYR   3           1HB      TYR   3  -4.894  -4.272   2.745
   23    HB3  TYR   3           2HB      TYR   3  -3.265  -3.599   2.675
   24    HD1  TYR   3           HD2      TYR   3  -1.401  -4.895   1.706
   25    HD2  TYR   3           HD1      TYR   3  -5.419  -6.412   1.737
   26    HE1  TYR   3           HE2      TYR   3  -0.763  -6.620   0.041
   27    HE2  TYR   3           HE1      TYR   3  -4.781  -8.136   0.074
   28    HH   TYR   3           HH       TYR   3  -2.796  -8.232  -1.808
   29    H    GLU   4           H        GLU   4  -2.341  -4.359   6.366
   30    HA   GLU   4           HA       GLU   4  -4.434  -3.023   7.743
   31    HB2  GLU   4           1HB      GLU   4  -2.488  -4.036   8.878
   32    HB3  GLU   4           2HB      GLU   4  -1.441  -2.817   8.151
   33    HG2  GLU   4           1HG      GLU   4  -2.668  -1.034   9.296
   34    HG3  GLU   4           2HG      GLU   4  -3.794  -2.214   9.966
   35    H    ASN   5           H        ASN   5  -1.722  -1.870   5.761
   36    HA   ASN   5           HA       ASN   5  -3.150   0.551   5.121
   37    HB2  ASN   5           1HB      ASN   5  -2.162   1.030   7.389
   38    HB3  ASN   5           2HB      ASN   5  -0.566   0.838   6.663
   39   HD21  ASN   5          2HD2      ASN   5   0.081   3.060   6.811
   40   HD22  ASN   5          1HD2      ASN   5  -0.700   4.299   5.953
   41    H    LYS   6           H        LYS   6  -1.849   1.972   3.680
   42    HA   LYS   6           HA       LYS   6  -0.462   0.376   1.720
   43    HB2  LYS   6           1HB      LYS   6  -1.234   3.281   1.941
   44    HB3  LYS   6           2HB      LYS   6  -0.205   2.720   0.626
   45    HG2  LYS   6           1HG      LYS   6  -1.926   1.098  -0.051
   46    HG3  LYS   6           2HG      LYS   6  -2.953   1.606   1.288
   47    HD2  LYS   6           1HD      LYS   6  -1.972   3.637  -0.720
   48    HD3  LYS   6           2HD      LYS   6  -3.365   2.626  -1.098
   49    HE2  LYS   6           1HE      LYS   6  -4.428   3.387   1.051
   50    HE3  LYS   6           2HE      LYS   6  -3.084   4.507   1.266
   51    HZ1  LYS   6           3HZ      LYS   6  -4.732   4.464  -1.189
   52    HZ2  LYS   6           1HZ      LYS   6  -3.673   5.679  -0.661
   53    HZ3  LYS   6           2HZ      LYS   6  -5.138   5.416   0.157
   54    HA   PRO   7           HA       PRO   7   3.602   1.513   3.187
   55    HB2  PRO   7           1HB      PRO   7   5.143   0.858   1.121
   56    HB3  PRO   7           2HB      PRO   7   4.116  -0.395   1.850
   57    HG2  PRO   7           1HG      PRO   7   3.570   1.288  -0.569
   58    HG3  PRO   7           2HG      PRO   7   3.481  -0.483  -0.407
   59    HD2  PRO   7           1HD      PRO   7   1.275   1.135  -0.163
   60    HD3  PRO   7           2HD      PRO   7   1.437  -0.409   0.710
   61    H    ARG   8           H        ARG   8   4.979   2.330   0.257
   62    HA   ARG   8           HA       ARG   8   4.782   5.183   0.839
   63    HB2  ARG   8           1HB      ARG   8   6.984   4.151   0.237
   64    HB3  ARG   8           2HB      ARG   8   6.332   3.764  -1.352
   65    HG2  ARG   8           1HG      ARG   8   5.990   6.139  -1.833
   66    HG3  ARG   8           2HG      ARG   8   6.493   6.566  -0.198
   67    HD2  ARG   8           1HD      ARG   8   8.256   5.107  -2.180
   68    HD3  ARG   8           2HD      ARG   8   8.298   6.849  -1.926
   69    HE   ARG   8           HE       ARG   8   8.588   5.628   0.578
   70   HH11  ARG   8          1HH2      ARG   8  10.233   5.856  -2.462
   71   HH12  ARG   8          2HH2      ARG   8  11.812   5.669  -1.774
   72   HH21  ARG   8          1HH1      ARG   8  10.655   5.385   1.480
   73   HH22  ARG   8          2HH1      ARG   8  12.050   5.399   0.455
   74    H    ARG   9           H        ARG   9   5.148   4.446  -2.449
   75    HA   ARG   9           HA       ARG   9   2.424   5.394  -3.017
   76    HB2  ARG   9           1HB      ARG   9   4.998   5.284  -4.583
   77    HB3  ARG   9           2HB      ARG   9   3.459   5.432  -5.428
   78    HG2  ARG   9           1HG      ARG   9   4.057   7.293  -3.131
   79    HG3  ARG   9           2HG      ARG   9   4.786   7.607  -4.702
   80    HD2  ARG   9           1HD      ARG   9   2.721   7.978  -5.738
   81    HD3  ARG   9           2HD      ARG   9   1.828   7.067  -4.524
   82    HE   ARG   9           HE       ARG   9   3.089   9.413  -3.433
   83   HH11  ARG   9          1HH2      ARG   9   0.389   8.180  -5.209
   84   HH12  ARG   9          2HH2      ARG   9  -0.686   9.451  -4.728
   85   HH21  ARG   9          1HH1      ARG   9   1.687  11.088  -2.800
   86   HH22  ARG   9          2HH1      ARG   9   0.049  11.097  -3.365
   87    HA   PRO  10           HA       PRO  10   1.794   0.994  -3.754
   88    HB2  PRO  10           1HB      PRO  10  -0.847   1.024  -4.472
   89    HB3  PRO  10           2HB      PRO  10  -0.305   1.223  -2.791
   90    HG2  PRO  10           1HG      PRO  10  -1.144   3.305  -4.765
   91    HG3  PRO  10           2HG      PRO  10  -1.534   3.169  -3.039
   92    HD2  PRO  10           1HD      PRO  10   0.417   4.844  -3.997
   93    HD3  PRO  10           2HD      PRO  10   0.481   4.120  -2.373
   94    H    TYR  11           H        TYR  11   3.252   1.125  -5.595
   95    HA   TYR  11           HA       TYR  11   3.821   1.300  -7.858
   96    HB2  TYR  11           1HB      TYR  11   3.252  -1.056  -7.389
   97    HB3  TYR  11           2HB      TYR  11   1.584  -0.737  -7.864
   98    HD1  TYR  11           HD1      TYR  11   5.105  -0.543  -9.105
   99    HD2  TYR  11           HD2      TYR  11   0.946  -0.846 -10.138
  100    HE1  TYR  11           HE1      TYR  11   5.721  -0.899 -11.481
  101    HE2  TYR  11           HE2      TYR  11   1.562  -1.202 -12.513
  102    HH   TYR  11           HH       TYR  11   4.975  -1.173 -13.550
  103    H    ILE  12           H        ILE  12   2.753   3.554  -7.894
  104    HA   ILE  12           HA       ILE  12   0.761   3.568 -10.083
  105    HB   ILE  12           HB       ILE  12  -0.409   4.008  -7.940
  106   HG12  ILE  12          1HG1      ILE  12  -0.165   6.546  -9.573
  107   HG13  ILE  12          2HG1      ILE  12  -1.005   5.112 -10.167
  108   HG21  ILE  12          1HG2      ILE  12   1.652   5.067  -6.874
  109   HG22  ILE  12          2HG2      ILE  12   0.129   5.909  -6.594
  110   HG23  ILE  12          3HG2      ILE  12   1.269   6.522  -7.793
  111   HD11  ILE  12          3HD1      ILE  12  -2.529   6.772  -9.061
  112   HD12  ILE  12          1HD1      ILE  12  -1.657   6.503  -7.553
  113   HD13  ILE  12          2HD1      ILE  12  -2.557   5.182  -8.300
  114    H    LEU  13           H        LEU  13   1.265   4.905 -11.699
  115    HA   LEU  13           HA       LEU  13   2.813   7.297 -11.308
  116    HB2  LEU  13           1HB      LEU  13   4.440   5.227 -11.409
  117    HB3  LEU  13           2HB      LEU  13   4.110   5.290 -13.135
  118    HG   LEU  13           HG       LEU  13   6.098   6.592 -12.704
  119   HD11  LEU  13          1HD1      LEU  13   4.306   7.464 -14.300
  120   HD12  LEU  13          2HD1      LEU  13   5.492   8.641 -13.739
  121   HD13  LEU  13          3HD1      LEU  13   3.878   8.614 -13.032
  122   HD21  LEU  13          3HD2      LEU  13   5.201   7.062 -10.211
  123   HD22  LEU  13          1HD2      LEU  13   4.691   8.582 -10.952
  124   HD23  LEU  13          2HD2      LEU  13   6.386   8.107 -10.986
  Start of MODEL    9
    1    H1   GLU   1           1H       GLU   1  -4.505  -7.602  10.965
    2    H2   GLU   1           2H       GLU   1  -4.636  -6.046  11.637
    3    H3   GLU   1           3H       GLU   1  -3.358  -6.413  10.581
    4    HA   GLU   1           HA       GLU   1  -6.235  -6.154   9.923
    5    HB2  GLU   1           1HB      GLU   1  -4.857  -4.080  10.055
    6    HB3  GLU   1           2HB      GLU   1  -3.763  -4.761   8.852
    7    HG2  GLU   1           1HG      GLU   1  -5.615  -4.917   7.239
    8    HG3  GLU   1           2HG      GLU   1  -6.725  -4.260   8.441
    9    H    LEU   2           H        LEU   2  -6.957  -7.523   8.427
   10    HA   LEU   2           HA       LEU   2  -5.340  -9.469   7.172
   11    HB2  LEU   2           1HB      LEU   2  -8.131  -8.480   6.562
   12    HB3  LEU   2           2HB      LEU   2  -7.394  -9.852   5.747
   13    HG   LEU   2           HG       LEU   2  -7.662  -9.656   8.761
   14   HD11  LEU   2          1HD1      LEU   2  -9.902  -9.681   7.969
   15   HD12  LEU   2          2HD1      LEU   2  -9.540 -11.363   8.356
   16   HD13  LEU   2          3HD1      LEU   2  -9.518 -10.820   6.678
   17   HD21  LEU   2          3HD2      LEU   2  -6.777 -11.793   6.819
   18   HD22  LEU   2          1HD2      LEU   2  -7.524 -12.267   8.345
   19   HD23  LEU   2          2HD2      LEU   2  -6.050 -11.310   8.350
   20    H    TYR   3           H        TYR   3  -6.662  -6.388   6.022
   21    HA   TYR   3           HA       TYR   3  -5.523  -6.712   3.379
   22    HB2  TYR   3           1HB      TYR   3  -6.847  -4.358   4.744
   23    HB3  TYR   3           2HB      TYR   3  -6.317  -4.362   3.061
   24    HD1  TYR   3           HD2      TYR   3  -8.688  -5.832   5.489
   25    HD2  TYR   3           HD1      TYR   3  -7.486  -5.638   1.370
   26    HE1  TYR   3           HE2      TYR   3 -10.796  -6.957   4.819
   27    HE2  TYR   3           HE1      TYR   3  -9.591  -6.763   0.702
   28    HH   TYR   3           HH       TYR   3 -12.225  -7.137   2.810
   29    H    GLU   4           H        GLU   4  -3.674  -5.826   2.590
   30    HA   GLU   4           HA       GLU   4  -1.722  -4.875   4.529
   31    HB2  GLU   4           1HB      GLU   4  -1.551  -5.488   1.573
   32    HB3  GLU   4           2HB      GLU   4  -0.188  -4.922   2.540
   33    HG2  GLU   4           1HG      GLU   4  -0.386  -6.862   4.015
   34    HG3  GLU   4           2HG      GLU   4  -1.810  -7.413   3.134
   35    H    ASN   5           H        ASN   5  -1.350  -2.804   4.945
   36    HA   ASN   5           HA       ASN   5  -2.545  -0.731   3.259
   37    HB2  ASN   5           1HB      ASN   5  -2.764  -0.646   5.737
   38    HB3  ASN   5           2HB      ASN   5  -1.014  -0.472   5.858
   39   HD21  ASN   5          2HD2      ASN   5  -3.833   1.092   4.237
   40   HD22  ASN   5          1HD2      ASN   5  -3.196   2.664   4.331
   41    H    LYS   6           H        LYS   6  -1.402   0.004   1.583
   42    HA   LYS   6           HA       LYS   6   1.234  -0.461   0.986
   43    HB2  LYS   6           1HB      LYS   6   0.460   2.250   0.124
   44    HB3  LYS   6           2HB      LYS   6   0.786   0.818  -0.853
   45    HG2  LYS   6           1HG      LYS   6  -1.494  -0.033  -0.338
   46    HG3  LYS   6           2HG      LYS   6  -1.815   1.445   0.572
   47    HD2  LYS   6           1HD      LYS   6  -1.177   2.705  -1.582
   48    HD3  LYS   6           2HD      LYS   6  -1.333   1.147  -2.393
   49    HE2  LYS   6           1HE      LYS   6  -3.650   0.945  -1.521
   50    HE3  LYS   6           2HE      LYS   6  -3.492   2.539  -0.780
   51    HZ1  LYS   6           3HZ      LYS   6  -4.563   2.804  -2.868
   52    HZ2  LYS   6           1HZ      LYS   6  -3.386   1.884  -3.671
   53    HZ3  LYS   6           2HZ      LYS   6  -2.983   3.406  -3.036
   54    HA   PRO   7           HA       PRO   7   3.472   2.343   3.627
   55    HB2  PRO   7           1HB      PRO   7   5.775   2.662   2.347
   56    HB3  PRO   7           2HB      PRO   7   5.229   1.014   2.725
   57    HG2  PRO   7           1HG      PRO   7   4.994   2.520   0.145
   58    HG3  PRO   7           2HG      PRO   7   5.559   0.858   0.420
   59    HD2  PRO   7           1HD      PRO   7   2.953   1.506  -0.324
   60    HD3  PRO   7           2HD      PRO   7   3.406   0.010   0.530
   61    H    ARG   8           H        ARG   8   5.259   3.917   1.260
   62    HA   ARG   8           HA       ARG   8   3.750   6.387   1.586
   63    HB2  ARG   8           1HB      ARG   8   6.409   5.738   0.302
   64    HB3  ARG   8           2HB      ARG   8   5.664   7.332   0.192
   65    HG2  ARG   8           1HG      ARG   8   5.628   7.494   2.645
   66    HG3  ARG   8           2HG      ARG   8   6.363   5.895   2.767
   67    HD2  ARG   8           1HD      ARG   8   7.620   8.233   1.311
   68    HD3  ARG   8           2HD      ARG   8   8.015   7.780   2.967
   69    HE   ARG   8           HE       ARG   8   8.811   6.383   0.543
   70   HH11  ARG   8          1HH2      ARG   8   8.348   6.279   3.972
   71   HH12  ARG   8          2HH2      ARG   8   9.448   4.963   4.218
   72   HH21  ARG   8          1HH1      ARG   8  10.254   4.661   0.860
   73   HH22  ARG   8          2HH1      ARG   8  10.529   4.050   2.457
   74    H    ARG   9           H        ARG   9   5.451   6.017  -1.305
   75    HA   ARG   9           HA       ARG   9   2.979   6.075  -2.880
   76    HB2  ARG   9           1HB      ARG   9   5.874   6.621  -3.570
   77    HB3  ARG   9           2HB      ARG   9   4.545   6.712  -4.727
   78    HG2  ARG   9           1HG      ARG   9   3.620   8.614  -3.731
   79    HG3  ARG   9           2HG      ARG   9   4.325   8.264  -2.156
   80    HD2  ARG   9           1HD      ARG   9   5.479  10.162  -3.110
   81    HD3  ARG   9           2HD      ARG   9   6.581   8.793  -3.096
   82    HE   ARG   9           HE       ARG   9   5.310   9.994  -5.464
   83   HH11  ARG   9          1HH2      ARG   9   7.352   7.550  -4.071
   84   HH12  ARG   9          2HH2      ARG   9   8.086   7.124  -5.579
   85   HH21  ARG   9          1HH1      ARG   9   6.274   9.423  -7.429
   86   HH22  ARG   9          2HH1      ARG   9   7.480   8.180  -7.474
   87    HA   PRO  10           HA       PRO  10   4.136   1.727  -3.429
   88    HB2  PRO  10           1HB      PRO  10   1.859   0.816  -4.611
   89    HB3  PRO  10           2HB      PRO  10   1.945   1.190  -2.876
   90    HG2  PRO  10           1HG      PRO  10   0.833   2.833  -5.111
   91    HG3  PRO  10           2HG      PRO  10   0.181   2.557  -3.486
   92    HD2  PRO  10           1HD      PRO  10   1.576   4.825  -4.191
   93    HD3  PRO  10           2HD      PRO  10   1.520   4.195  -2.528
   94    H    TYR  11           H        TYR  11   4.134   4.121  -5.585
   95    HA   TYR  11           HA       TYR  11   4.876   4.392  -7.736
   96    HB2  TYR  11           1HB      TYR  11   5.675   1.476  -7.566
   97    HB3  TYR  11           2HB      TYR  11   6.290   2.679  -8.696
   98    HD1  TYR  11           HD2      TYR  11   7.611   4.642  -7.833
   99    HD2  TYR  11           HD1      TYR  11   6.525   1.315  -5.340
  100    HE1  TYR  11           HE2      TYR  11   9.330   5.320  -6.177
  101    HE2  TYR  11           HE1      TYR  11   8.245   1.992  -3.687
  102    HH   TYR  11           HH       TYR  11   9.568   4.896  -3.497
  103    H    ILE  12           H        ILE  12   2.208   2.894  -6.958
  104    HA   ILE  12           HA       ILE  12   1.524   2.030  -9.718
  105    HB   ILE  12           HB       ILE  12   0.328   1.192  -7.065
  106   HG12  ILE  12          1HG1      ILE  12   1.689  -0.480  -9.193
  107   HG13  ILE  12          2HG1      ILE  12   2.554   0.194  -7.812
  108   HG21  ILE  12          1HG2      ILE  12  -0.480   0.655  -9.929
  109   HG22  ILE  12          2HG2      ILE  12  -1.476   1.295  -8.624
  110   HG23  ILE  12          3HG2      ILE  12  -0.971  -0.394  -8.601
  111   HD11  ILE  12          3HD1      ILE  12   1.064  -0.991  -6.267
  112   HD12  ILE  12          1HD1      ILE  12   1.801  -2.136  -7.387
  113   HD13  ILE  12          2HD1      ILE  12   0.132  -1.621  -7.625
  114    H    LEU  13           H        LEU  13   0.061   3.208 -10.775
  115    HA   LEU  13           HA       LEU  13  -2.058   4.614  -9.413
  116    HB2  LEU  13           1HB      LEU  13  -0.210   6.198  -9.087
  117    HB3  LEU  13           2HB      LEU  13   0.120   6.188 -10.818
  118    HG   LEU  13           HG       LEU  13  -2.106   7.137 -11.268
  119   HD11  LEU  13          1HD1      LEU  13  -2.418   6.748  -8.296
  120   HD12  LEU  13          2HD1      LEU  13  -3.555   6.378  -9.591
  121   HD13  LEU  13          3HD1      LEU  13  -3.297   8.050  -9.100
  122   HD21  LEU  13          3HD2      LEU  13  -0.475   8.599  -9.170
  123   HD22  LEU  13          1HD2      LEU  13  -1.733   9.357 -10.148
  124   HD23  LEU  13          2HD2      LEU  13  -0.287   8.705 -10.920
  Start of MODEL   10
    1    H1   GLU   1           1H       GLU   1  -7.693 -12.098   6.012
    2    H2   GLU   1           2H       GLU   1  -6.349 -13.095   5.725
    3    H3   GLU   1           3H       GLU   1  -6.470 -11.585   4.956
    4    HA   GLU   1           HA       GLU   1  -6.281 -11.923   7.895
    5    HB2  GLU   1           1HB      GLU   1  -3.915 -11.075   7.522
    6    HB3  GLU   1           2HB      GLU   1  -4.207 -12.730   6.988
    7    HG2  GLU   1           1HG      GLU   1  -4.482 -10.378   5.111
    8    HG3  GLU   1           2HG      GLU   1  -2.941 -11.196   5.357
    9    H    LEU   2           H        LEU   2  -4.974  -9.708   8.499
   10    HA   LEU   2           HA       LEU   2  -6.873  -7.613   7.960
   11    HB2  LEU   2           1HB      LEU   2  -4.226  -7.549   9.433
   12    HB3  LEU   2           2HB      LEU   2  -5.428  -6.261   9.439
   13    HG   LEU   2           HG       LEU   2  -5.935  -9.093  10.403
   14   HD11  LEU   2          1HD1      LEU   2  -4.374  -8.003  11.901
   15   HD12  LEU   2          2HD1      LEU   2  -5.964  -7.993  12.667
   16   HD13  LEU   2          3HD1      LEU   2  -5.341  -6.528  11.907
   17   HD21  LEU   2          3HD2      LEU   2  -8.051  -8.258   9.833
   18   HD22  LEU   2          1HD2      LEU   2  -7.610  -6.592  10.208
   19   HD23  LEU   2          2HD2      LEU   2  -7.920  -7.739  11.511
   20    H    TYR   3           H        TYR   3  -6.503  -5.658   6.881
   21    HA   TYR   3           HA       TYR   3  -4.686  -5.851   4.636
   22    HB2  TYR   3           1HB      TYR   3  -6.599  -3.679   5.523
   23    HB3  TYR   3           2HB      TYR   3  -5.664  -3.629   4.028
   24    HD1  TYR   3           HD1      TYR   3  -5.982  -5.455   2.308
   25    HD2  TYR   3           HD2      TYR   3  -8.591  -4.980   5.687
   26    HE1  TYR   3           HE1      TYR   3  -7.697  -6.848   1.180
   27    HE2  TYR   3           HE2      TYR   3 -10.305  -6.373   4.561
   28    HH   TYR   3           HH       TYR   3 -10.217  -7.108   1.296
   29    H    GLU   4           H        GLU   4  -2.804  -4.766   4.334
   30    HA   GLU   4           HA       GLU   4  -1.630  -3.437   6.667
   31    HB2  GLU   4           1HB      GLU   4  -0.464  -4.327   4.022
   32    HB3  GLU   4           2HB      GLU   4   0.457  -3.513   5.285
   33    HG2  GLU   4           1HG      GLU   4  -0.072  -5.313   6.864
   34    HG3  GLU   4           2HG      GLU   4  -1.046  -6.122   5.637
   35    H    ASN   5           H        ASN   5  -0.805  -1.352   6.645
   36    HA   ASN   5           HA       ASN   5  -2.190   0.520   4.952
   37    HB2  ASN   5           1HB      ASN   5  -0.998   2.223   6.238
   38    HB3  ASN   5           2HB      ASN   5  -1.678   1.011   7.322
   39   HD21  ASN   5          2HD2      ASN   5   0.412   2.427   8.389
   40   HD22  ASN   5          1HD2      ASN   5   1.831   1.497   8.406
   41    H    LYS   6           H        LYS   6  -1.201   2.043   3.528
   42    HA   LYS   6           HA       LYS   6   0.884   0.894   1.920
   43    HB2  LYS   6           1HB      LYS   6  -0.690   3.461   1.791
   44    HB3  LYS   6           2HB      LYS   6   0.643   3.146   0.679
   45    HG2  LYS   6           1HG      LYS   6  -1.540   2.463  -0.286
   46    HG3  LYS   6           2HG      LYS   6  -0.459   1.083  -0.084
   47    HD2  LYS   6           1HD      LYS   6  -1.641   0.284   1.804
   48    HD3  LYS   6           2HD      LYS   6  -2.453   1.829   2.060
   49    HE2  LYS   6           1HE      LYS   6  -3.881   1.512   0.193
   50    HE3  LYS   6           2HE      LYS   6  -2.883   0.210  -0.456
   51    HZ1  LYS   6           3HZ      LYS   6  -3.455  -1.105   1.529
   52    HZ2  LYS   6           1HZ      LYS   6  -4.812  -0.716   0.588
   53    HZ3  LYS   6           2HZ      LYS   6  -4.508   0.133   2.029
   54    HA   PRO   7           HA       PRO   7   4.152   3.270   3.873
   55    HB2  PRO   7           1HB      PRO   7   6.176   2.861   2.197
   56    HB3  PRO   7           2HB      PRO   7   5.405   1.459   2.968
   57    HG2  PRO   7           1HG      PRO   7   4.930   2.583   0.229
   58    HG3  PRO   7           2HG      PRO   7   5.244   0.899   0.703
   59    HD2  PRO   7           1HD      PRO   7   2.699   1.899   0.300
   60    HD3  PRO   7           2HD      PRO   7   3.060   0.550   1.409
   61    H    ARG   8           H        ARG   8   5.714   4.027   0.987
   62    HA   ARG   8           HA       ARG   8   4.822   6.801   1.105
   63    HB2  ARG   8           1HB      ARG   8   7.255   6.235   0.876
   64    HB3  ARG   8           2HB      ARG   8   6.902   5.512  -0.689
   65    HG2  ARG   8           1HG      ARG   8   6.081   7.687  -1.520
   66    HG3  ARG   8           2HG      ARG   8   6.393   8.408   0.057
   67    HD2  ARG   8           1HD      ARG   8   8.253   8.901  -1.445
   68    HD3  ARG   8           2HD      ARG   8   8.793   7.808  -0.173
   69    HE   ARG   8           HE       ARG   8   7.921   6.305  -2.413
   70   HH11  ARG   8          1HH2      ARG   8  10.453   8.413  -1.342
   71   HH12  ARG   8          2HH2      ARG   8  11.661   7.698  -2.357
   72   HH21  ARG   8          1HH1      ARG   8   9.496   5.374  -3.750
   73   HH22  ARG   8          2HH1      ARG   8  11.118   5.981  -3.724
   74    H    ARG   9           H        ARG   9   5.750   5.765  -1.988
   75    HA   ARG   9           HA       ARG   9   2.982   5.977  -2.957
   76    HB2  ARG   9           1HB      ARG   9   5.689   6.247  -4.253
   77    HB3  ARG   9           2HB      ARG   9   4.248   5.966  -5.230
   78    HG2  ARG   9           1HG      ARG   9   3.188   7.967  -4.220
   79    HG3  ARG   9           2HG      ARG   9   4.654   8.258  -3.282
   80    HD2  ARG   9           1HD      ARG   9   4.535   8.142  -6.308
   81    HD3  ARG   9           2HD      ARG   9   4.560   9.629  -5.364
   82    HE   ARG   9           HE       ARG   9   6.766   8.233  -4.504
   83   HH11  ARG   9          1HH2      ARG   9   5.509   9.294  -7.546
   84   HH12  ARG   9          2HH2      ARG   9   7.066   9.506  -8.275
   85   HH21  ARG   9          1HH1      ARG   9   8.813   8.508  -5.449
   86   HH22  ARG   9          2HH1      ARG   9   8.939   9.068  -7.083
   87    HA   PRO  10           HA       PRO  10   3.597   1.478  -3.065
   88    HB2  PRO  10           1HB      PRO  10   1.008   0.697  -3.410
   89    HB3  PRO  10           2HB      PRO  10   1.636   1.256  -1.847
   90    HG2  PRO  10           1HG      PRO  10   0.020   2.741  -3.871
   91    HG3  PRO  10           2HG      PRO  10  -0.110   2.745  -2.103
   92    HD2  PRO  10           1HD      PRO  10   1.162   4.726  -3.541
   93    HD3  PRO  10           2HD      PRO  10   1.562   4.333  -1.853
   94    H    TYR  11           H        TYR  11   0.779   1.432  -5.064
   95    HA   TYR  11           HA       TYR  11   2.442   0.871  -7.454
   96    HB2  TYR  11           1HB      TYR  11  -0.414   0.117  -6.784
   97    HB3  TYR  11           2HB      TYR  11   0.397  -0.256  -8.305
   98    HD1  TYR  11           HD2      TYR  11   2.449  -1.723  -8.293
   99    HD2  TYR  11           HD1      TYR  11  -0.016  -1.175  -4.819
  100    HE1  TYR  11           HE2      TYR  11   3.446  -3.748  -7.264
  101    HE2  TYR  11           HE1      TYR  11   0.979  -3.202  -3.791
  102    HH   TYR  11           HH       TYR  11   2.399  -4.875  -4.042
  103    H    ILE  12           H        ILE  12   2.470   2.343  -9.028
  104    HA   ILE  12           HA       ILE  12   0.104   4.000  -9.551
  105    HB   ILE  12           HB       ILE  12   1.509   5.282  -7.945
  106   HG12  ILE  12          1HG1      ILE  12   1.641   6.481 -10.723
  107   HG13  ILE  12          2HG1      ILE  12   0.133   6.334  -9.821
  108   HG21  ILE  12          1HG2      ILE  12   3.671   4.245  -8.796
  109   HG22  ILE  12          2HG2      ILE  12   3.722   5.989  -8.542
  110   HG23  ILE  12          3HG2      ILE  12   3.557   5.339 -10.174
  111   HD11  ILE  12          3HD1      ILE  12   1.384   8.566  -9.601
  112   HD12  ILE  12          1HD1      ILE  12   2.571   7.678  -8.645
  113   HD13  ILE  12          2HD1      ILE  12   0.897   7.782  -8.098
  114    H    LEU  13           H        LEU  13  -0.090   4.631 -11.662
  115    HA   LEU  13           HA       LEU  13   2.133   4.125 -13.520
  116    HB2  LEU  13           1HB      LEU  13   0.862   2.041 -13.536
  117    HB3  LEU  13           2HB      LEU  13  -0.639   2.928 -13.792
  118    HG   LEU  13           HG       LEU  13   0.143   3.699 -15.979
  119   HD11  LEU  13          1HD1      LEU  13   2.334   2.534 -16.813
  120   HD12  LEU  13          2HD1      LEU  13   2.708   2.377 -15.097
  121   HD13  LEU  13          3HD1      LEU  13   2.473   3.974 -15.809
  122   HD21  LEU  13          3HD2      LEU  13   0.398   1.413 -17.072
  123   HD22  LEU  13          1HD2      LEU  13  -1.002   1.594 -16.016
  124   HD23  LEU  13          2HD2      LEU  13   0.427   0.732 -15.444
  Start of MODEL   11
    1    H1   GLU   1           1H       GLU   1  -2.675  -9.260   5.429
    2    H2   GLU   1           2H       GLU   1  -2.981  -7.654   5.894
    3    H3   GLU   1           3H       GLU   1  -1.588  -8.031   4.996
    4    HA   GLU   1           HA       GLU   1  -2.649  -7.826   3.084
    5    HB2  GLU   1           1HB      GLU   1  -3.454 -10.139   3.445
    6    HB3  GLU   1           2HB      GLU   1  -4.850  -9.512   4.317
    7    HG2  GLU   1           1HG      GLU   1  -5.576  -8.294   2.305
    8    HG3  GLU   1           2HG      GLU   1  -4.161  -8.876   1.432
    9    H    LEU   2           H        LEU   2  -5.813  -8.047   4.542
   10    HA   LEU   2           HA       LEU   2  -6.574  -5.463   3.697
   11    HB2  LEU   2           1HB      LEU   2  -7.786  -7.356   5.719
   12    HB3  LEU   2           2HB      LEU   2  -8.560  -5.859   5.215
   13    HG   LEU   2           HG       LEU   2  -7.687  -8.009   3.262
   14   HD11  LEU   2          1HD1      LEU   2  -9.348  -8.937   4.821
   15   HD12  LEU   2          2HD1      LEU   2 -10.062  -8.708   3.225
   16   HD13  LEU   2          3HD1      LEU   2 -10.413  -7.564   4.520
   17   HD21  LEU   2          3HD2      LEU   2  -8.025  -6.046   2.014
   18   HD22  LEU   2          1HD2      LEU   2  -9.301  -5.461   3.079
   19   HD23  LEU   2          2HD2      LEU   2  -9.623  -6.778   1.954
   20    H    TYR   3           H        TYR   3  -5.572  -6.725   6.857
   21    HA   TYR   3           HA       TYR   3  -5.968  -4.318   8.301
   22    HB2  TYR   3           1HB      TYR   3  -4.164  -6.691   8.808
   23    HB3  TYR   3           2HB      TYR   3  -4.387  -5.368   9.952
   24    HD1  TYR   3           HD1      TYR   3  -6.679  -4.884  10.866
   25    HD2  TYR   3           HD2      TYR   3  -5.821  -8.395   8.543
   26    HE1  TYR   3           HE1      TYR   3  -8.765  -5.938  11.692
   27    HE2  TYR   3           HE2      TYR   3  -7.909  -9.450   9.371
   28    HH   TYR   3           HH       TYR   3  -9.994  -8.888  10.337
   29    H    GLU   4           H        GLU   4  -3.186  -5.659   6.575
   30    HA   GLU   4           HA       GLU   4  -1.298  -3.712   7.383
   31    HB2  GLU   4           1HB      GLU   4  -0.719  -5.895   6.338
   32    HB3  GLU   4           2HB      GLU   4  -1.363  -5.302   4.808
   33    HG2  GLU   4           1HG      GLU   4   0.273  -3.467   4.805
   34    HG3  GLU   4           2HG      GLU   4   0.902  -4.015   6.359
   35    H    ASN   5           H        ASN   5  -0.909  -1.695   6.715
   36    HA   ASN   5           HA       ASN   5  -2.617  -0.561   4.583
   37    HB2  ASN   5           1HB      ASN   5  -1.092   0.691   6.872
   38    HB3  ASN   5           2HB      ASN   5  -1.845   1.633   5.586
   39   HD21  ASN   5          2HD2      ASN   5  -2.724   1.898   8.286
   40   HD22  ASN   5          1HD2      ASN   5  -4.293   1.263   8.407
   41    H    LYS   6           H        LYS   6  -1.743   0.487   2.829
   42    HA   LYS   6           HA       LYS   6   0.681  -0.344   1.787
   43    HB2  LYS   6           1HB      LYS   6  -0.273   2.402   1.043
   44    HB3  LYS   6           2HB      LYS   6   0.233   1.071   0.002
   45    HG2  LYS   6           1HG      LYS   6  -1.891  -0.145   0.795
   46    HG3  LYS   6           2HG      LYS   6  -2.409   1.419   1.425
   47    HD2  LYS   6           1HD      LYS   6  -2.155   2.409  -0.825
   48    HD3  LYS   6           2HD      LYS   6  -1.646   0.842  -1.454
   49    HE2  LYS   6           1HE      LYS   6  -4.302   1.283  -0.069
   50    HE3  LYS   6           2HE      LYS   6  -4.096   1.389  -1.817
   51    HZ1  LYS   6           3HZ      LYS   6  -3.945  -0.820  -2.005
   52    HZ2  LYS   6           1HZ      LYS   6  -4.636  -0.874  -0.456
   53    HZ3  LYS   6           2HZ      LYS   6  -2.950  -0.976  -0.635
   54    HA   PRO   7           HA       PRO   7   3.524   2.451   3.838
   55    HB2  PRO   7           1HB      PRO   7   5.705   2.251   2.335
   56    HB3  PRO   7           2HB      PRO   7   5.005   0.770   3.026
   57    HG2  PRO   7           1HG      PRO   7   4.749   1.852   0.247
   58    HG3  PRO   7           2HG      PRO   7   5.042   0.184   0.779
   59    HD2  PRO   7           1HD      PRO   7   2.524   1.247   0.105
   60    HD3  PRO   7           2HD      PRO   7   2.792  -0.233   1.063
   61    H    ARG   8           H        ARG   8   5.198   3.346   1.054
   62    HA   ARG   8           HA       ARG   8   4.070   6.026   1.079
   63    HB2  ARG   8           1HB      ARG   8   6.427   4.760  -0.323
   64    HB3  ARG   8           2HB      ARG   8   5.871   6.383  -0.721
   65    HG2  ARG   8           1HG      ARG   8   6.169   7.078   1.613
   66    HG3  ARG   8           2HG      ARG   8   6.715   5.453   2.034
   67    HD2  ARG   8           1HD      ARG   8   8.045   7.156  -0.080
   68    HD3  ARG   8           2HD      ARG   8   8.573   7.123   1.600
   69    HE   ARG   8           HE       ARG   8   8.455   4.471   0.678
   70   HH11  ARG   8          1HH2      ARG   8  10.152   7.428   0.099
   71   HH12  ARG   8          2HH2      ARG   8  11.618   6.653  -0.400
   72   HH21  ARG   8          1HH1      ARG   8  10.377   3.443   0.023
   73   HH22  ARG   8          2HH1      ARG   8  11.744   4.396  -0.447
   74    H    ARG   9           H        ARG   9   4.417   6.622  -1.681
   75    HA   ARG   9           HA       ARG   9   1.948   5.734  -2.693
   76    HB2  ARG   9           1HB      ARG   9   4.352   6.860  -4.155
   77    HB3  ARG   9           2HB      ARG   9   2.737   6.706  -4.840
   78    HG2  ARG   9           1HG      ARG   9   2.130   8.703  -3.923
   79    HG3  ARG   9           2HG      ARG   9   2.475   8.087  -2.311
   80    HD2  ARG   9           1HD      ARG   9   4.340   9.551  -4.187
   81    HD3  ARG   9           2HD      ARG   9   3.843  10.010  -2.562
   82    HE   ARG   9           HE       ARG   9   5.170   7.533  -2.413
   83   HH11  ARG   9          1HH2      ARG   9   5.743  10.855  -3.191
   84   HH12  ARG   9          2HH2      ARG   9   7.398  10.834  -2.678
   85   HH21  ARG   9          1HH1      ARG   9   7.343   7.496  -1.747
   86   HH22  ARG   9          2HH1      ARG   9   8.303   8.933  -1.864
   87    HA   PRO  10           HA       PRO  10   3.726   1.708  -3.714
   88    HB2  PRO  10           1HB      PRO  10   1.474   0.438  -4.594
   89    HB3  PRO  10           2HB      PRO  10   1.795   0.745  -2.873
   90    HG2  PRO  10           1HG      PRO  10   0.051   2.262  -4.767
   91    HG3  PRO  10           2HG      PRO  10  -0.258   1.790  -3.086
   92    HD2  PRO  10           1HD      PRO  10   0.563   4.304  -3.793
   93    HD3  PRO  10           2HD      PRO  10   0.958   3.573  -2.221
   94    H    TYR  11           H        TYR  11   4.080   0.380  -5.630
   95    HA   TYR  11           HA       TYR  11   4.881   1.681  -7.879
   96    HB2  TYR  11           1HB      TYR  11   5.372  -0.690  -7.397
   97    HB3  TYR  11           2HB      TYR  11   3.711  -1.109  -7.812
   98    HD1  TYR  11           HD2      TYR  11   6.899   0.250  -9.144
   99    HD2  TYR  11           HD1      TYR  11   2.983  -1.240 -10.092
  100    HE1  TYR  11           HE2      TYR  11   7.522   0.138 -11.543
  101    HE2  TYR  11           HE1      TYR  11   3.605  -1.353 -12.490
  102    HH   TYR  11           HH       TYR  11   6.900  -0.566 -13.571
  103    H    ILE  12           H        ILE  12   1.624   1.119  -6.954
  104    HA   ILE  12           HA       ILE  12   0.473   1.190  -9.584
  105    HB   ILE  12           HB       ILE  12  -0.792   1.812  -6.905
  106   HG12  ILE  12          1HG1      ILE  12   0.114  -0.456  -6.922
  107   HG13  ILE  12          2HG1      ILE  12  -1.640  -0.531  -7.055
  108   HG21  ILE  12          1HG2      ILE  12  -2.897   1.190  -8.149
  109   HG22  ILE  12          2HG2      ILE  12  -1.953   1.226  -9.637
  110   HG23  ILE  12          3HG2      ILE  12  -2.149   2.694  -8.681
  111   HD11  ILE  12          3HD1      ILE  12   0.443  -1.101  -9.144
  112   HD12  ILE  12          1HD1      ILE  12  -1.157  -0.563  -9.651
  113   HD13  ILE  12          2HD1      ILE  12  -0.982  -2.040  -8.708
  114    H    LEU  13           H        LEU  13   0.021   2.888 -10.827
  115    HA   LEU  13           HA       LEU  13   0.106   5.614  -9.653
  116    HB2  LEU  13           1HB      LEU  13   1.231   4.743 -12.327
  117    HB3  LEU  13           2HB      LEU  13   1.236   6.384 -11.689
  118    HG   LEU  13           HG       LEU  13   2.590   4.022 -10.348
  119   HD11  LEU  13          1HD1      LEU  13   3.689   4.545 -12.469
  120   HD12  LEU  13          2HD1      LEU  13   4.693   5.109 -11.134
  121   HD13  LEU  13          3HD1      LEU  13   3.723   6.258 -12.057
  122   HD21  LEU  13          3HD2      LEU  13   3.793   6.053  -9.210
  123   HD22  LEU  13          1HD2      LEU  13   2.180   5.615  -8.654
  124   HD23  LEU  13          2HD2      LEU  13   2.394   6.979  -9.749
  Start of MODEL   12
    1    H1   GLU   1           1H       GLU   1  -4.331 -12.747   9.192
    2    H2   GLU   1           2H       GLU   1  -4.860 -11.397  10.073
    3    H3   GLU   1           3H       GLU   1  -3.531 -11.262   9.025
    4    HA   GLU   1           HA       GLU   1  -4.854 -11.461   7.117
    5    HB2  GLU   1           1HB      GLU   1  -7.230 -12.052   7.238
    6    HB3  GLU   1           2HB      GLU   1  -6.258 -13.301   8.012
    7    HG2  GLU   1           1HG      GLU   1  -6.728 -12.268  10.226
    8    HG3  GLU   1           2HG      GLU   1  -7.757 -11.078   9.433
    9    H    LEU   2           H        LEU   2  -4.005  -9.420   8.967
   10    HA   LEU   2           HA       LEU   2  -6.172  -7.551   9.329
   11    HB2  LEU   2           1HB      LEU   2  -4.362  -5.998  10.038
   12    HB3  LEU   2           2HB      LEU   2  -4.336  -7.532  10.900
   13    HG   LEU   2           HG       LEU   2  -2.672  -8.168   8.829
   14   HD11  LEU   2          1HD1      LEU   2  -2.687  -5.987   7.768
   15   HD12  LEU   2          2HD1      LEU   2  -1.117  -6.211   8.529
   16   HD13  LEU   2          3HD1      LEU   2  -2.328  -5.189   9.298
   17   HD21  LEU   2          3HD2      LEU   2  -1.932  -6.736  11.401
   18   HD22  LEU   2          1HD2      LEU   2  -0.780  -7.591  10.376
   19   HD23  LEU   2          2HD2      LEU   2  -2.083  -8.479  11.163
   20    H    TYR   3           H        TYR   3  -6.328  -5.478   8.300
   21    HA   TYR   3           HA       TYR   3  -6.012  -5.598   5.472
   22    HB2  TYR   3           1HB      TYR   3  -7.821  -4.310   6.508
   23    HB3  TYR   3           2HB      TYR   3  -6.641  -3.239   7.266
   24    HD1  TYR   3           HD2      TYR   3  -7.771  -4.510   3.933
   25    HD2  TYR   3           HD1      TYR   3  -5.826  -1.352   6.100
   26    HE1  TYR   3           HE2      TYR   3  -7.702  -3.138   1.870
   27    HE2  TYR   3           HE1      TYR   3  -5.757   0.021   4.034
   28    HH   TYR   3           HH       TYR   3  -6.515  -1.294   0.929
   29    H    GLU   4           H        GLU   4  -4.400  -4.890   4.185
   30    HA   GLU   4           HA       GLU   4  -1.939  -3.961   5.445
   31    HB2  GLU   4           1HB      GLU   4  -1.942  -5.717   3.663
   32    HB3  GLU   4           2HB      GLU   4  -2.510  -4.498   2.522
   33    HG2  GLU   4           1HG      GLU   4  -0.508  -3.133   2.964
   34    HG3  GLU   4           2HG      GLU   4   0.063  -4.338   4.117
   35    H    ASN   5           H        ASN   5  -1.279  -1.918   5.512
   36    HA   ASN   5           HA       ASN   5  -2.832   0.147   4.090
   37    HB2  ASN   5           1HB      ASN   5  -2.475   0.338   6.559
   38    HB3  ASN   5           2HB      ASN   5  -0.743   0.474   6.257
   39   HD21  ASN   5          2HD2      ASN   5  -0.667   2.697   7.046
   40   HD22  ASN   5          1HD2      ASN   5  -1.347   3.971   6.157
   41    H    LYS   6           H        LYS   6  -2.005   1.205   2.380
   42    HA   LYS   6           HA       LYS   6   0.214   0.425   0.985
   43    HB2  LYS   6           1HB      LYS   6  -0.445   3.354   0.976
   44    HB3  LYS   6           2HB      LYS   6  -0.111   2.278  -0.382
   45    HG2  LYS   6           1HG      LYS   6  -2.329   1.081   0.325
   46    HG3  LYS   6           2HG      LYS   6  -2.655   2.572   1.210
   47    HD2  LYS   6           1HD      LYS   6  -2.038   2.397  -1.757
   48    HD3  LYS   6           2HD      LYS   6  -3.642   2.624  -1.063
   49    HE2  LYS   6           1HE      LYS   6  -2.772   4.709   0.062
   50    HE3  LYS   6           2HE      LYS   6  -1.283   4.514  -0.863
   51    HZ1  LYS   6           3HZ      LYS   6  -3.690   4.340  -2.439
   52    HZ2  LYS   6           1HZ      LYS   6  -2.258   5.203  -2.732
   53    HZ3  LYS   6           2HZ      LYS   6  -3.450   5.857  -1.713
   54    HA   PRO   7           HA       PRO   7   3.563   2.268   3.308
   55    HB2  PRO   7           1HB      PRO   7   5.610   1.914   1.663
   56    HB3  PRO   7           2HB      PRO   7   4.669   0.491   2.157
   57    HG2  PRO   7           1HG      PRO   7   4.469   2.082  -0.376
   58    HG3  PRO   7           2HG      PRO   7   4.558   0.318  -0.171
   59    HD2  PRO   7           1HD      PRO   7   2.172   1.728  -0.479
   60    HD3  PRO   7           2HD      PRO   7   2.305   0.135   0.311
   61    H    ARG   8           H        ARG   8   5.352   3.315   0.697
   62    HA   ARG   8           HA       ARG   8   4.595   6.096   1.130
   63    HB2  ARG   8           1HB      ARG   8   6.546   6.458  -0.540
   64    HB3  ARG   8           2HB      ARG   8   6.945   5.867   1.070
   65    HG2  ARG   8           1HG      ARG   8   7.015   3.556   0.221
   66    HG3  ARG   8           2HG      ARG   8   6.591   4.123  -1.393
   67    HD2  ARG   8           1HD      ARG   8   8.650   5.501  -1.429
   68    HD3  ARG   8           2HD      ARG   8   9.068   4.896   0.169
   69    HE   ARG   8           HE       ARG   8   9.616   2.817  -0.784
   70   HH11  ARG   8          1HH2      ARG   8   8.203   4.990  -3.085
   71   HH12  ARG   8          2HH2      ARG   8   8.667   4.048  -4.460
   72   HH21  ARG   8          1HH1      ARG   8  10.210   1.574  -2.588
   73   HH22  ARG   8          2HH1      ARG   8   9.800   2.116  -4.180
   74    H    ARG   9           H        ARG   9   5.795   5.622  -1.958
   75    HA   ARG   9           HA       ARG   9   3.186   6.182  -3.134
   76    HB2  ARG   9           1HB      ARG   9   5.994   6.109  -4.252
   77    HB3  ARG   9           2HB      ARG   9   4.565   6.373  -5.252
   78    HG2  ARG   9           1HG      ARG   9   3.972   8.353  -3.954
   79    HG3  ARG   9           2HG      ARG   9   5.322   8.066  -2.855
   80    HD2  ARG   9           1HD      ARG   9   6.924   8.428  -4.635
   81    HD3  ARG   9           2HD      ARG   9   5.639   8.521  -5.834
   82    HE   ARG   9           HE       ARG   9   5.095  10.501  -3.960
   83   HH11  ARG   9          1HH2      ARG   9   7.628   9.625  -6.149
   84   HH12  ARG   9          2HH2      ARG   9   8.163  11.253  -6.399
   85   HH21  ARG   9          1HH1      ARG   9   5.789  12.638  -4.283
   86   HH22  ARG   9          2HH1      ARG   9   7.120  12.961  -5.344
   87    HA   PRO  10           HA       PRO  10   3.150   1.697  -3.788
   88    HB2  PRO  10           1HB      PRO  10   0.569   1.423  -4.667
   89    HB3  PRO  10           2HB      PRO  10   0.994   1.628  -2.956
   90    HG2  PRO  10           1HG      PRO  10  -0.047   3.635  -4.900
   91    HG3  PRO  10           2HG      PRO  10  -0.425   3.431  -3.182
   92    HD2  PRO  10           1HD      PRO  10   1.326   5.336  -4.158
   93    HD3  PRO  10           2HD      PRO  10   1.399   4.688  -2.502
   94    H    TYR  11           H        TYR  11   1.919   0.382  -5.813
   95    HA   TYR  11           HA       TYR  11   3.525   1.025  -8.072
   96    HB2  TYR  11           1HB      TYR  11   2.144  -0.804  -9.181
   97    HB3  TYR  11           2HB      TYR  11   3.031  -1.275  -7.731
   98    HD1  TYR  11           HD1      TYR  11   1.806  -1.355  -5.506
   99    HD2  TYR  11           HD2      TYR  11  -0.233  -0.941  -9.269
  100    HE1  TYR  11           HE1      TYR  11  -0.315  -2.059  -4.438
  101    HE2  TYR  11           HE2      TYR  11  -2.352  -1.646  -8.196
  102    HH   TYR  11           HH       TYR  11  -3.146  -1.501  -5.426
  103    H    ILE  12           H        ILE  12   2.713   3.299  -8.214
  104    HA   ILE  12           HA       ILE  12   0.420   3.430 -10.088
  105    HB   ILE  12           HB       ILE  12  -0.256   5.559  -9.062
  106   HG12  ILE  12          1HG1      ILE  12   1.779   4.910  -6.904
  107   HG13  ILE  12          2HG1      ILE  12   2.040   6.127  -8.151
  108   HG21  ILE  12          1HG2      ILE  12  -1.072   4.572  -6.892
  109   HG22  ILE  12          2HG2      ILE  12  -0.025   3.186  -7.194
  110   HG23  ILE  12          3HG2      ILE  12  -1.354   3.542  -8.294
  111   HD11  ILE  12          3HD1      ILE  12   0.037   7.343  -7.401
  112   HD12  ILE  12          1HD1      ILE  12   1.182   7.150  -6.074
  113   HD13  ILE  12          2HD1      ILE  12  -0.247   6.120  -6.163
  114    H    LEU  13           H        LEU  13   0.477   5.294 -11.520
  115    HA   LEU  13           HA       LEU  13   2.920   6.820 -11.738
  116    HB2  LEU  13           1HB      LEU  13   3.640   4.713 -12.755
  117    HB3  LEU  13           2HB      LEU  13   2.241   4.732 -13.823
  118    HG   LEU  13           HG       LEU  13   3.052   6.798 -14.884
  119   HD11  LEU  13          1HD1      LEU  13   5.173   6.584 -12.749
  120   HD12  LEU  13          2HD1      LEU  13   4.227   7.992 -13.231
  121   HD13  LEU  13          3HD1      LEU  13   5.521   7.405 -14.270
  122   HD21  LEU  13          3HD2      LEU  13   5.177   4.641 -14.683
  123   HD22  LEU  13          1HD2      LEU  13   5.054   5.839 -15.972
  124   HD23  LEU  13          2HD2      LEU  13   3.793   4.623 -15.776
  Start of MODEL   13
    1    H1   GLU   1           1H       GLU   1  -5.688  -7.836   5.928
    2    H2   GLU   1           2H       GLU   1  -6.515  -8.190   4.487
    3    H3   GLU   1           3H       GLU   1  -7.338  -8.221   5.972
    4    HA   GLU   1           HA       GLU   1  -6.736  -6.003   4.252
    5    HB2  GLU   1           1HB      GLU   1  -8.995  -6.900   5.155
    6    HB3  GLU   1           2HB      GLU   1  -8.561  -6.082   6.655
    7    HG2  GLU   1           1HG      GLU   1  -8.654  -4.725   3.943
    8    HG3  GLU   1           2HG      GLU   1  -9.962  -4.674   5.123
    9    H    LEU   2           H        LEU   2  -7.014  -6.262   7.786
   10    HA   LEU   2           HA       LEU   2  -5.655  -3.846   8.321
   11    HB2  LEU   2           1HB      LEU   2  -6.180  -6.283  10.029
   12    HB3  LEU   2           2HB      LEU   2  -5.528  -4.771  10.656
   13    HG   LEU   2           HG       LEU   2  -8.122  -4.928   9.096
   14   HD11  LEU   2          1HD1      LEU   2  -7.725  -4.940  12.109
   15   HD12  LEU   2          2HD1      LEU   2  -8.277  -6.310  11.146
   16   HD13  LEU   2          3HD1      LEU   2  -9.277  -4.864  11.274
   17   HD21  LEU   2          3HD2      LEU   2  -6.700  -2.799  10.704
   18   HD22  LEU   2          1HD2      LEU   2  -8.455  -2.758  10.561
   19   HD23  LEU   2          2HD2      LEU   2  -7.456  -2.672   9.117
   20    H    TYR   3           H        TYR   3  -4.564  -7.217   8.238
   21    HA   TYR   3           HA       TYR   3  -1.937  -6.771   9.163
   22    HB2  TYR   3           1HB      TYR   3  -3.085  -8.902   7.350
   23    HB3  TYR   3           2HB      TYR   3  -1.429  -8.927   7.957
   24    HD1  TYR   3           HD1      TYR   3  -0.960  -9.224  10.348
   25    HD2  TYR   3           HD2      TYR   3  -4.981  -9.275   8.835
   26    HE1  TYR   3           HE1      TYR   3  -1.752 -10.206  12.483
   27    HE2  TYR   3           HE2      TYR   3  -5.771 -10.259  10.971
   28    HH   TYR   3           HH       TYR   3  -3.843 -10.354  13.773
   29    H    GLU   4           H        GLU   4  -3.318  -6.778   5.894
   30    HA   GLU   4           HA       GLU   4  -0.751  -6.040   4.705
   31    HB2  GLU   4           1HB      GLU   4  -3.497  -6.528   3.532
   32    HB3  GLU   4           2HB      GLU   4  -2.089  -6.063   2.577
   33    HG2  GLU   4           1HG      GLU   4  -0.888  -8.059   3.306
   34    HG3  GLU   4           2HG      GLU   4  -2.223  -8.507   4.366
   35    H    ASN   5           H        ASN   5  -0.122  -4.002   4.455
   36    HA   ASN   5           HA       ASN   5  -2.125  -1.873   4.068
   37    HB2  ASN   5           1HB      ASN   5  -1.404  -2.074   6.521
   38    HB3  ASN   5           2HB      ASN   5   0.181  -1.525   5.982
   39   HD21  ASN   5          2HD2      ASN   5   0.129   0.590   6.913
   40   HD22  ASN   5          1HD2      ASN   5  -0.999   1.770   6.452
   41    H    LYS   6           H        LYS   6  -1.569  -0.573   2.444
   42    HA   LYS   6           HA       LYS   6   0.777  -0.984   0.927
   43    HB2  LYS   6           1HB      LYS   6  -0.367   1.685   0.498
   44    HB3  LYS   6           2HB      LYS   6  -0.335   0.301  -0.597
   45    HG2  LYS   6           1HG      LYS   6  -2.278  -0.668   0.678
   46    HG3  LYS   6           2HG      LYS   6  -2.364   0.841   1.586
   47    HD2  LYS   6           1HD      LYS   6  -2.515   2.031  -0.672
   48    HD3  LYS   6           2HD      LYS   6  -2.779   0.438  -1.383
   49    HE2  LYS   6           1HE      LYS   6  -4.657   0.156   0.350
   50    HE3  LYS   6           2HE      LYS   6  -4.506   1.892   0.624
   51    HZ1  LYS   6           3HZ      LYS   6  -5.011   2.326  -1.641
   52    HZ2  LYS   6           1HZ      LYS   6  -6.195   1.259  -1.063
   53    HZ3  LYS   6           2HZ      LYS   6  -4.939   0.678  -2.048
   54    HA   PRO   7           HA       PRO   7   3.493   1.965   2.901
   55    HB2  PRO   7           1HB      PRO   7   5.178   2.604   0.973
   56    HB3  PRO   7           2HB      PRO   7   4.875   0.876   1.257
   57    HG2  PRO   7           1HG      PRO   7   3.639   2.681  -0.791
   58    HG3  PRO   7           2HG      PRO   7   4.385   1.080  -1.023
   59    HD2  PRO   7           1HD      PRO   7   1.650   1.488  -0.678
   60    HD3  PRO   7           2HD      PRO   7   2.482  -0.043  -0.311
   61    H    ARG   8           H        ARG   8   4.607   4.189   1.058
   62    HA   ARG   8           HA       ARG   8   2.539   6.141   1.651
   63    HB2  ARG   8           1HB      ARG   8   4.969   6.659   2.014
   64    HB3  ARG   8           2HB      ARG   8   5.207   6.556   0.270
   65    HG2  ARG   8           1HG      ARG   8   3.489   8.342  -0.032
   66    HG3  ARG   8           2HG      ARG   8   3.380   8.491   1.722
   67    HD2  ARG   8           1HD      ARG   8   5.936   8.848   0.134
   68    HD3  ARG   8           2HD      ARG   8   4.914  10.175   0.682
   69    HE   ARG   8           HE       ARG   8   6.757   8.664   2.289
   70   HH11  ARG   8          1HH2      ARG   8   3.762  10.398   2.260
   71   HH12  ARG   8          2HH2      ARG   8   3.839  10.833   3.935
   72   HH21  ARG   8          1HH1      ARG   8   6.865   9.232   4.485
   73   HH22  ARG   8          2HH1      ARG   8   5.595  10.173   5.194
   74    H    ARG   9           H        ARG   9   4.539   5.818  -1.233
   75    HA   ARG   9           HA       ARG   9   2.165   6.195  -2.947
   76    HB2  ARG   9           1HB      ARG   9   5.133   6.537  -3.400
   77    HB3  ARG   9           2HB      ARG   9   3.975   6.508  -4.729
   78    HG2  ARG   9           1HG      ARG   9   2.855   8.454  -3.939
   79    HG3  ARG   9           2HG      ARG   9   3.647   8.362  -2.365
   80    HD2  ARG   9           1HD      ARG   9   5.001   8.959  -5.009
   81    HD3  ARG   9           2HD      ARG   9   4.686  10.117  -3.721
   82    HE   ARG   9           HE       ARG   9   6.219   7.876  -2.792
   83   HH11  ARG   9          1HH2      ARG   9   6.331  10.870  -4.523
   84   HH12  ARG   9          2HH2      ARG   9   8.000  11.168  -4.174
   85   HH21  ARG   9          1HH1      ARG   9   8.409   8.262  -2.328
   86   HH22  ARG   9          2HH1      ARG   9   9.176   9.693  -2.929
   87    HA   PRO  10           HA       PRO  10   2.716   1.643  -3.160
   88    HB2  PRO  10           1HB      PRO  10   0.510   1.960  -5.174
   89    HB3  PRO  10           2HB      PRO  10   0.650   0.810  -3.828
   90    HG2  PRO  10           1HG      PRO  10  -0.972   2.917  -3.676
   91    HG3  PRO  10           2HG      PRO  10  -0.062   2.349  -2.263
   92    HD2  PRO  10           1HD      PRO  10   0.445   4.746  -3.993
   93    HD3  PRO  10           2HD      PRO  10   0.714   4.528  -2.252
   94    H    TYR  11           H        TYR  11   2.272   3.824  -5.898
   95    HA   TYR  11           HA       TYR  11   3.856   4.172  -7.621
   96    HB2  TYR  11           1HB      TYR  11   5.394   2.402  -6.584
   97    HB3  TYR  11           2HB      TYR  11   4.530   1.227  -7.578
   98    HD1  TYR  11           HD2      TYR  11   6.465   4.415  -7.748
   99    HD2  TYR  11           HD1      TYR  11   5.043   0.961  -9.871
  100    HE1  TYR  11           HE2      TYR  11   7.849   5.047  -9.706
  101    HE2  TYR  11           HE1      TYR  11   6.425   1.595 -11.829
  102    HH   TYR  11           HH       TYR  11   8.627   3.008 -12.142
  103    H    ILE  12           H        ILE  12   1.078   3.638  -7.621
  104    HA   ILE  12           HA       ILE  12   0.316   1.695  -9.534
  105    HB   ILE  12           HB       ILE  12  -1.071   4.312  -8.909
  106   HG12  ILE  12          1HG1      ILE  12  -0.655   3.129  -6.826
  107   HG13  ILE  12          2HG1      ILE  12  -2.354   2.946  -7.247
  108   HG21  ILE  12          1HG2      ILE  12  -3.097   3.043  -9.567
  109   HG22  ILE  12          2HG2      ILE  12  -2.081   1.661  -9.977
  110   HG23  ILE  12          3HG2      ILE  12  -1.938   3.163 -10.890
  111   HD11  ILE  12          3HD1      ILE  12  -1.568   0.729  -8.410
  112   HD12  ILE  12          1HD1      ILE  12  -1.745   0.762  -6.657
  113   HD13  ILE  12          2HD1      ILE  12  -0.146   0.905  -7.384
  114    H    LEU  13           H        LEU  13   1.083   5.150  -9.821
  115    HA   LEU  13           HA       LEU  13   0.510   5.472 -12.543
  116    HB2  LEU  13           1HB      LEU  13   2.420   6.842 -10.655
  117    HB3  LEU  13           2HB      LEU  13   2.361   7.293 -12.359
  118    HG   LEU  13           HG       LEU  13  -0.072   7.719 -12.149
  119   HD11  LEU  13          1HD1      LEU  13   0.474   6.884  -9.296
  120   HD12  LEU  13          2HD1      LEU  13  -0.759   6.270 -10.398
  121   HD13  LEU  13          3HD1      LEU  13  -0.913   7.889  -9.717
  122   HD21  LEU  13          3HD2      LEU  13   0.120   9.794 -10.919
  123   HD22  LEU  13          1HD2      LEU  13   1.660   9.510 -11.729
  124   HD23  LEU  13          2HD2      LEU  13   1.496   9.180 -10.004
  Start of MODEL   14
    1    H1   GLU   1           1H       GLU   1  -8.633  -6.788   6.242
    2    H2   GLU   1           2H       GLU   1  -8.811  -7.412   4.672
    3    H3   GLU   1           3H       GLU   1  -9.523  -5.926   5.086
    4    HA   GLU   1           HA       GLU   1  -7.431  -5.778   3.733
    5    HB2  GLU   1           1HB      GLU   1  -8.367  -3.904   5.081
    6    HB3  GLU   1           2HB      GLU   1  -7.435  -4.468   6.469
    7    HG2  GLU   1           1HG      GLU   1  -5.348  -4.148   5.224
    8    HG3  GLU   1           2HG      GLU   1  -6.256  -3.633   3.805
    9    H    LEU   2           H        LEU   2  -6.409  -7.902   3.800
   10    HA   LEU   2           HA       LEU   2  -4.888  -8.847   5.981
   11    HB2  LEU   2           1HB      LEU   2  -4.653  -9.348   3.009
   12    HB3  LEU   2           2HB      LEU   2  -3.716 -10.218   4.219
   13    HG   LEU   2           HG       LEU   2  -6.746 -10.090   4.207
   14   HD11  LEU   2          1HD1      LEU   2  -5.877 -11.231   2.189
   15   HD12  LEU   2          2HD1      LEU   2  -6.675 -12.364   3.280
   16   HD13  LEU   2          3HD1      LEU   2  -4.914 -12.294   3.214
   17   HD21  LEU   2          3HD2      LEU   2  -6.217 -12.291   5.613
   18   HD22  LEU   2          1HD2      LEU   2  -6.184 -10.711   6.385
   19   HD23  LEU   2          2HD2      LEU   2  -4.677 -11.485   5.897
   20    H    TYR   3           H        TYR   3  -4.020  -6.806   3.213
   21    HA   TYR   3           HA       TYR   3  -1.235  -6.709   3.810
   22    HB2  TYR   3           1HB      TYR   3  -3.003  -4.887   2.167
   23    HB3  TYR   3           2HB      TYR   3  -1.247  -4.745   2.253
   24    HD1  TYR   3           HD1      TYR   3   0.202  -6.622   1.456
   25    HD2  TYR   3           HD2      TYR   3  -4.055  -6.618   0.878
   26    HE1  TYR   3           HE1      TYR   3   0.432  -8.394  -0.263
   27    HE2  TYR   3           HE2      TYR   3  -3.824  -8.390  -0.840
   28    HH   TYR   3           HH       TYR   3  -0.688  -9.400  -2.026
   29    H    GLU   4           H        GLU   4  -0.049  -5.280   4.978
   30    HA   GLU   4           HA       GLU   4  -1.275  -3.927   7.141
   31    HB2  GLU   4           1HB      GLU   4   0.985  -3.036   7.584
   32    HB3  GLU   4           2HB      GLU   4   1.017  -4.772   7.272
   33    HG2  GLU   4           1HG      GLU   4   1.655  -4.337   4.925
   34    HG3  GLU   4           2HG      GLU   4   1.646  -2.604   5.246
   35    H    ASN   5           H        ASN   5   0.029  -1.499   7.330
   36    HA   ASN   5           HA       ASN   5  -1.707   0.193   5.832
   37    HB2  ASN   5           1HB      ASN   5   0.724   0.815   7.522
   38    HB3  ASN   5           2HB      ASN   5  -0.368   2.031   6.861
   39   HD21  ASN   5          2HD2      ASN   5   0.202   0.208   9.621
   40   HD22  ASN   5          1HD2      ASN   5  -1.356   0.260  10.293
   41    H    LYS   6           H        LYS   6  -1.303   1.507   4.093
   42    HA   LYS   6           HA       LYS   6   0.589   0.665   2.184
   43    HB2  LYS   6           1HB      LYS   6  -1.182   3.084   2.456
   44    HB3  LYS   6           2HB      LYS   6  -0.020   2.988   1.135
   45    HG2  LYS   6           1HG      LYS   6  -2.293   2.113   0.527
   46    HG3  LYS   6           2HG      LYS   6  -1.016   0.912   0.346
   47    HD2  LYS   6           1HD      LYS   6  -1.630  -0.192   2.367
   48    HD3  LYS   6           2HD      LYS   6  -2.655   1.150   2.874
   49    HE2  LYS   6           1HE      LYS   6  -3.948  -0.804   1.969
   50    HE3  LYS   6           2HE      LYS   6  -4.231   0.696   1.087
   51    HZ1  LYS   6           3HZ      LYS   6  -2.325  -1.434   0.287
   52    HZ2  LYS   6           1HZ      LYS   6  -2.630  -0.002  -0.569
   53    HZ3  LYS   6           2HZ      LYS   6  -3.853  -1.171  -0.406
   54    HA   PRO   7           HA       PRO   7   4.050   3.197   3.466
   55    HB2  PRO   7           1HB      PRO   7   5.671   2.969   1.385
   56    HB3  PRO   7           2HB      PRO   7   5.094   1.479   2.160
   57    HG2  PRO   7           1HG      PRO   7   3.999   2.855  -0.268
   58    HG3  PRO   7           2HG      PRO   7   4.487   1.152  -0.083
   59    HD2  PRO   7           1HD      PRO   7   1.880   1.998   0.216
   60    HD3  PRO   7           2HD      PRO   7   2.550   0.585   1.071
   61    H    ARG   8           H        ARG   8   5.209   4.419   0.696
   62    HA   ARG   8           HA       ARG   8   3.832   6.962   1.027
   63    HB2  ARG   8           1HB      ARG   8   5.617   7.263  -1.120
   64    HB3  ARG   8           2HB      ARG   8   5.932   7.715   0.548
   65    HG2  ARG   8           1HG      ARG   8   7.747   6.324  -0.149
   66    HG3  ARG   8           2HG      ARG   8   6.765   5.341   0.929
   67    HD2  ARG   8           1HD      ARG   8   5.633   4.354  -1.061
   68    HD3  ARG   8           2HD      ARG   8   6.691   5.302  -2.103
   69    HE   ARG   8           HE       ARG   8   7.426   2.935  -0.573
   70   HH11  ARG   8          1HH2      ARG   8   8.432   5.767  -2.286
   71   HH12  ARG   8          2HH2      ARG   8  10.028   5.178  -2.608
   72   HH21  ARG   8          1HH1      ARG   8   9.523   2.149  -0.995
   73   HH22  ARG   8          2HH1      ARG   8  10.646   3.131  -1.875
   74    H    ARG   9           H        ARG   9   4.924   5.696  -2.051
   75    HA   ARG   9           HA       ARG   9   2.209   6.014  -3.162
   76    HB2  ARG   9           1HB      ARG   9   4.747   5.472  -4.705
   77    HB3  ARG   9           2HB      ARG   9   3.234   6.151  -5.301
   78    HG2  ARG   9           1HG      ARG   9   5.176   7.471  -3.386
   79    HG3  ARG   9           2HG      ARG   9   4.857   7.945  -5.051
   80    HD2  ARG   9           1HD      ARG   9   2.412   8.246  -4.325
   81    HD3  ARG   9           2HD      ARG   9   3.010   8.147  -2.669
   82    HE   ARG   9           HE       ARG   9   4.606  10.050  -3.678
   83   HH11  ARG   9          1HH2      ARG   9   1.194   9.524  -3.930
   84   HH12  ARG   9          2HH2      ARG   9   0.807  11.206  -4.065
   85   HH21  ARG   9          1HH1      ARG   9   4.103  12.255  -3.850
   86   HH22  ARG   9          2HH1      ARG   9   2.453  12.753  -4.017
   87    HA   PRO  10           HA       PRO  10   2.261   1.475  -2.492
   88    HB2  PRO  10           1HB      PRO  10  -0.343   1.699  -3.972
   89    HB3  PRO  10           2HB      PRO  10   0.025   0.841  -2.462
   90    HG2  PRO  10           1HG      PRO  10  -1.306   3.146  -2.446
   91    HG3  PRO  10           2HG      PRO  10  -0.125   2.755  -1.184
   92    HD2  PRO  10           1HD      PRO  10   0.151   4.636  -3.503
   93    HD3  PRO  10           2HD      PRO  10   0.811   4.759  -1.859
   94    H    TYR  11           H        TYR  11   1.156  -0.266  -4.327
   95    HA   TYR  11           HA       TYR  11   3.100  -0.387  -6.362
   96    HB2  TYR  11           1HB      TYR  11   0.433  -1.773  -6.042
   97    HB3  TYR  11           2HB      TYR  11   1.557  -2.136  -7.352
   98    HD1  TYR  11           HD1      TYR  11   1.023  -2.260  -3.698
   99    HD2  TYR  11           HD2      TYR  11   3.657  -3.278  -6.935
  100    HE1  TYR  11           HE1      TYR  11   2.313  -3.742  -2.184
  101    HE2  TYR  11           HE2      TYR  11   4.946  -4.759  -5.421
  102    HH   TYR  11           HH       TYR  11   5.352  -5.126  -3.119
  103    H    ILE  12           H        ILE  12  -0.184   0.892  -6.298
  104    HA   ILE  12           HA       ILE  12  -0.689   1.243  -8.994
  105    HB   ILE  12           HB       ILE  12  -2.263   1.764  -7.107
  106   HG12  ILE  12          1HG1      ILE  12  -3.263   3.781  -8.222
  107   HG13  ILE  12          2HG1      ILE  12  -1.799   3.930  -9.190
  108   HG21  ILE  12          1HG2      ILE  12  -0.476   3.111  -5.866
  109   HG22  ILE  12          2HG2      ILE  12  -2.089   3.821  -5.917
  110   HG23  ILE  12          3HG2      ILE  12  -0.827   4.422  -6.991
  111   HD11  ILE  12          3HD1      ILE  12  -2.290   2.062 -10.469
  112   HD12  ILE  12          1HD1      ILE  12  -3.924   2.608 -10.101
  113   HD13  ILE  12          2HD1      ILE  12  -3.213   1.282  -9.182
  114    H    LEU  13           H        LEU  13   0.098   2.512 -10.570
  115    HA   LEU  13           HA       LEU  13   1.953   4.714  -9.842
  116    HB2  LEU  13           1HB      LEU  13   3.057   4.035 -12.128
  117    HB3  LEU  13           2HB      LEU  13   3.447   3.126 -10.671
  118    HG   LEU  13           HG       LEU  13   1.794   1.414 -11.256
  119   HD11  LEU  13          1HD1      LEU  13   0.078   2.594 -12.385
  120   HD12  LEU  13          2HD1      LEU  13   0.810   1.599 -13.640
  121   HD13  LEU  13          3HD1      LEU  13   1.210   3.314 -13.531
  122   HD21  LEU  13          3HD2      LEU  13   4.108   1.256 -12.164
  123   HD22  LEU  13          1HD2      LEU  13   3.573   2.096 -13.619
  124   HD23  LEU  13          2HD2      LEU  13   2.923   0.504 -13.230
  Start of MODEL   15
    1    H1   GLU   1           1H       GLU   1  -2.498 -10.726   8.460
    2    H2   GLU   1           2H       GLU   1  -2.706 -10.521   6.786
    3    H3   GLU   1           3H       GLU   1  -3.998 -11.064   7.745
    4    HA   GLU   1           HA       GLU   1  -4.191  -8.976   8.838
    5    HB2  GLU   1           1HB      GLU   1  -1.740  -8.535   8.902
    6    HB3  GLU   1           2HB      GLU   1  -1.786  -8.151   7.182
    7    HG2  GLU   1           1HG      GLU   1  -3.365  -6.324   7.610
    8    HG3  GLU   1           2HG      GLU   1  -3.381  -6.721   9.327
    9    H    LEU   2           H        LEU   2  -6.111  -8.820   7.785
   10    HA   LEU   2           HA       LEU   2  -6.462  -8.728   4.986
   11    HB2  LEU   2           1HB      LEU   2  -8.231  -7.808   7.257
   12    HB3  LEU   2           2HB      LEU   2  -8.747  -7.832   5.574
   13    HG   LEU   2           HG       LEU   2  -7.685 -10.264   7.045
   14   HD11  LEU   2          1HD1      LEU   2 -10.565  -9.514   6.459
   15   HD12  LEU   2          2HD1      LEU   2  -9.798  -9.392   8.043
   16   HD13  LEU   2          3HD1      LEU   2 -10.007 -10.971   7.285
   17   HD21  LEU   2          3HD2      LEU   2  -8.811  -9.755   4.297
   18   HD22  LEU   2          1HD2      LEU   2  -9.128 -11.312   5.062
   19   HD23  LEU   2          2HD2      LEU   2  -7.472 -10.792   4.781
   20    H    TYR   3           H        TYR   3  -6.196  -6.160   7.416
   21    HA   TYR   3           HA       TYR   3  -6.756  -4.003   5.666
   22    HB2  TYR   3           1HB      TYR   3  -6.835  -3.797   8.121
   23    HB3  TYR   3           2HB      TYR   3  -5.087  -4.026   8.191
   24    HD1  TYR   3           HD2      TYR   3  -7.752  -1.828   6.785
   25    HD2  TYR   3           HD1      TYR   3  -3.603  -2.208   7.830
   26    HE1  TYR   3           HE2      TYR   3  -7.424   0.593   6.358
   27    HE2  TYR   3           HE1      TYR   3  -3.276   0.215   7.403
   28    HH   TYR   3           HH       TYR   3  -5.977   2.354   6.794
   29    H    GLU   4           H        GLU   4  -5.526  -2.933   4.235
   30    HA   GLU   4           HA       GLU   4  -2.898  -3.979   3.589
   31    HB2  GLU   4           1HB      GLU   4  -4.571  -3.315   1.847
   32    HB3  GLU   4           2HB      GLU   4  -4.381  -1.640   2.361
   33    HG2  GLU   4           1HG      GLU   4  -2.930  -1.971   0.470
   34    HG3  GLU   4           2HG      GLU   4  -1.903  -1.872   1.898
   35    H    ASN   5           H        ASN   5  -0.954  -2.850   3.696
   36    HA   ASN   5           HA       ASN   5  -0.954  -0.286   5.183
   37    HB2  ASN   5           1HB      ASN   5   0.964  -1.073   6.494
   38    HB3  ASN   5           2HB      ASN   5  -0.446  -2.097   6.763
   39   HD21  ASN   5          2HD2      ASN   5   1.759  -3.428   7.417
   40   HD22  ASN   5          1HD2      ASN   5   2.285  -4.483   6.195
   41    H    LYS   6           H        LYS   6  -0.645   0.620   3.041
   42    HA   LYS   6           HA       LYS   6   1.674  -0.040   1.504
   43    HB2  LYS   6           1HB      LYS   6   0.990   2.508   0.646
   44    HB3  LYS   6           2HB      LYS   6   0.298   1.015   0.013
   45    HG2  LYS   6           1HG      LYS   6  -1.478   2.568   0.617
   46    HG3  LYS   6           2HG      LYS   6  -1.535   1.170   1.681
   47    HD2  LYS   6           1HD      LYS   6  -0.670   2.379   3.518
   48    HD3  LYS   6           2HD      LYS   6   0.019   3.631   2.487
   49    HE2  LYS   6           1HE      LYS   6  -2.103   4.260   3.775
   50    HE3  LYS   6           2HE      LYS   6  -2.120   4.579   2.041
   51    HZ1  LYS   6           3HZ      LYS   6  -2.994   1.981   2.350
   52    HZ2  LYS   6           1HZ      LYS   6  -3.927   3.330   1.924
   53    HZ3  LYS   6           2HZ      LYS   6  -3.795   2.871   3.554
   54    HA   PRO   7           HA       PRO   7   4.520   2.662   3.602
   55    HB2  PRO   7           1HB      PRO   7   6.448   2.964   1.802
   56    HB3  PRO   7           2HB      PRO   7   5.994   1.318   2.294
   57    HG2  PRO   7           1HG      PRO   7   5.105   2.855  -0.123
   58    HG3  PRO   7           2HG      PRO   7   5.767   1.206  -0.035
   59    HD2  PRO   7           1HD      PRO   7   3.059   1.733  -0.104
   60    HD3  PRO   7           2HD      PRO   7   3.755   0.294   0.682
   61    H    ARG   8           H        ARG   8   5.737   4.267   0.937
   62    HA   ARG   8           HA       ARG   8   4.287   6.706   1.592
   63    HB2  ARG   8           1HB      ARG   8   6.747   6.794   1.299
   64    HB3  ARG   8           2HB      ARG   8   6.555   6.269  -0.371
   65    HG2  ARG   8           1HG      ARG   8   5.260   8.266  -0.895
   66    HG3  ARG   8           2HG      ARG   8   5.293   8.767   0.795
   67    HD2  ARG   8           1HD      ARG   8   6.993  10.000  -0.445
   68    HD3  ARG   8           2HD      ARG   8   7.775   8.895   0.680
   69    HE   ARG   8           HE       ARG   8   7.461   7.626  -1.838
   70   HH11  ARG   8          1HH2      ARG   8   9.222  10.133  -0.229
   71   HH12  ARG   8          2HH2      ARG   8  10.621   9.987  -1.241
   72   HH21  ARG   8          1HH1      ARG   8   9.292   7.427  -3.164
   73   HH22  ARG   8          2HH1      ARG   8  10.661   8.456  -2.901
   74    H    ARG   9           H        ARG   9   5.367   6.160  -1.651
   75    HA   ARG   9           HA       ARG   9   2.594   6.327  -2.603
   76    HB2  ARG   9           1HB      ARG   9   3.888   6.545  -4.871
   77    HB3  ARG   9           2HB      ARG   9   3.855   7.916  -3.766
   78    HG2  ARG   9           1HG      ARG   9   6.045   7.311  -2.881
   79    HG3  ARG   9           2HG      ARG   9   6.081   5.861  -3.880
   80    HD2  ARG   9           1HD      ARG   9   7.362   7.877  -4.787
   81    HD3  ARG   9           2HD      ARG   9   6.216   7.119  -5.891
   82    HE   ARG   9           HE       ARG   9   4.991   9.241  -4.413
   83   HH11  ARG   9          1HH2      ARG   9   7.118   8.499  -7.038
   84   HH12  ARG   9          2HH2      ARG   9   6.770   9.953  -7.913
   85   HH21  ARG   9          1HH1      ARG   9   4.529  11.150  -5.553
   86   HH22  ARG   9          2HH1      ARG   9   5.304  11.454  -7.072
   87    HA   PRO  10           HA       PRO  10   3.336   1.894  -3.135
   88    HB2  PRO  10           1HB      PRO  10   0.780   1.087  -3.642
   89    HB3  PRO  10           2HB      PRO  10   1.341   1.515  -2.014
   90    HG2  PRO  10           1HG      PRO  10  -0.260   3.130  -3.945
   91    HG3  PRO  10           2HG      PRO  10  -0.431   2.984  -2.186
   92    HD2  PRO  10           1HD      PRO  10   0.832   5.106  -3.443
   93    HD3  PRO  10           2HD      PRO  10   1.175   4.603  -1.771
   94    H    TYR  11           H        TYR  11   2.088   0.287  -4.964
   95    HA   TYR  11           HA       TYR  11   3.205   1.203  -7.450
   96    HB2  TYR  11           1HB      TYR  11   1.507  -1.237  -6.869
   97    HB3  TYR  11           2HB      TYR  11   2.454  -0.957  -8.330
   98    HD1  TYR  11           HD2      TYR  11   4.961  -0.779  -8.175
   99    HD2  TYR  11           HD1      TYR  11   2.531  -2.017  -4.857
  100    HE1  TYR  11           HE2      TYR  11   6.967  -1.713  -7.054
  101    HE2  TYR  11           HE1      TYR  11   4.535  -2.953  -3.736
  102    HH   TYR  11           HH       TYR  11   7.166  -2.392  -3.912
  103    H    ILE  12           H        ILE  12   1.895   3.143  -7.695
  104    HA   ILE  12           HA       ILE  12  -0.740   2.570  -8.932
  105    HB   ILE  12           HB       ILE  12  -1.459   4.819  -8.073
  106   HG12  ILE  12          1HG1      ILE  12   0.952   4.541  -6.256
  107   HG13  ILE  12          2HG1      ILE  12   0.925   5.603  -7.662
  108   HG21  ILE  12          1HG2      ILE  12  -0.724   2.580  -6.177
  109   HG22  ILE  12          2HG2      ILE  12  -2.290   2.910  -6.917
  110   HG23  ILE  12          3HG2      ILE  12  -1.670   3.975  -5.659
  111   HD11  ILE  12          3HD1      ILE  12  -1.020   6.797  -6.732
  112   HD12  ILE  12          1HD1      ILE  12   0.338   6.839  -5.607
  113   HD13  ILE  12          2HD1      ILE  12  -1.005   5.731  -5.327
  114    H    LEU  13           H        LEU  13   1.277   2.502 -10.610
  115    HA   LEU  13           HA       LEU  13   2.259   4.948 -11.616
  116    HB2  LEU  13           1HB      LEU  13   1.884   2.208 -12.808
  117    HB3  LEU  13           2HB      LEU  13   2.477   3.540 -13.795
  118    HG   LEU  13           HG       LEU  13   4.278   2.110 -12.732
  119   HD11  LEU  13          1HD1      LEU  13   4.562   4.879 -11.596
  120   HD12  LEU  13          2HD1      LEU  13   4.414   4.692 -13.343
  121   HD13  LEU  13          3HD1      LEU  13   5.728   3.899 -12.481
  122   HD21  LEU  13          3HD2      LEU  13   4.682   2.250 -10.375
  123   HD22  LEU  13          1HD2      LEU  13   2.975   1.857 -10.563
  124   HD23  LEU  13          2HD2      LEU  13   3.463   3.506 -10.173
  Start of MODEL   16
    1    H1   GLU   1           1H       GLU   1  -8.058  -7.336   7.287
    2    H2   GLU   1           2H       GLU   1  -8.897  -8.160   6.060
    3    H3   GLU   1           3H       GLU   1  -9.363  -6.587   6.502
    4    HA   GLU   1           HA       GLU   1  -7.982  -6.909   4.374
    5    HB2  GLU   1           1HB      GLU   1  -8.547  -4.739   5.498
    6    HB3  GLU   1           2HB      GLU   1  -7.095  -4.915   6.484
    7    HG2  GLU   1           1HG      GLU   1  -6.519  -3.496   4.630
    8    HG3  GLU   1           2HG      GLU   1  -5.767  -5.061   4.329
    9    H    LEU   2           H        LEU   2  -6.300  -8.089   3.728
   10    HA   LEU   2           HA       LEU   2  -4.458  -9.320   5.467
   11    HB2  LEU   2           1HB      LEU   2  -4.501  -8.873   2.487
   12    HB3  LEU   2           2HB      LEU   2  -3.161  -9.704   3.267
   13    HG   LEU   2           HG       LEU   2  -6.058 -10.529   3.625
   14   HD11  LEU   2          1HD1      LEU   2  -5.489 -12.354   1.994
   15   HD12  LEU   2          2HD1      LEU   2  -3.975 -11.515   1.654
   16   HD13  LEU   2          3HD1      LEU   2  -5.516 -10.747   1.269
   17   HD21  LEU   2          3HD2      LEU   2  -3.385 -11.649   4.460
   18   HD22  LEU   2          1HD2      LEU   2  -4.694 -12.772   4.094
   19   HD23  LEU   2          2HD2      LEU   2  -4.897 -11.571   5.362
   20    H    TYR   3           H        TYR   3  -4.203  -6.398   3.466
   21    HA   TYR   3           HA       TYR   3  -1.452  -5.920   4.172
   22    HB2  TYR   3           1HB      TYR   3  -3.524  -4.061   2.981
   23    HB3  TYR   3           2HB      TYR   3  -1.789  -3.759   3.049
   24    HD1  TYR   3           HD2      TYR   3  -4.456  -5.752   1.489
   25    HD2  TYR   3           HD1      TYR   3  -0.227  -5.015   1.638
   26    HE1  TYR   3           HE2      TYR   3  -4.163  -7.026  -0.615
   27    HE2  TYR   3           HE1      TYR   3   0.067  -6.288  -0.472
   28    HH   TYR   3           HH       TYR   3  -1.514  -8.312  -1.629
   29    H    GLU   4           H        GLU   4  -0.698  -4.947   5.958
   30    HA   GLU   4           HA       GLU   4  -2.473  -4.136   8.048
   31    HB2  GLU   4           1HB      GLU   4   0.525  -3.878   7.719
   32    HB3  GLU   4           2HB      GLU   4  -0.339  -3.402   9.178
   33    HG2  GLU   4           1HG      GLU   4   0.328  -5.596   9.678
   34    HG3  GLU   4           2HG      GLU   4  -1.320  -5.828   9.107
   35    H    ASN   5           H        ASN   5  -0.082  -2.323   6.112
   36    HA   ASN   5           HA       ASN   5  -1.833  -0.027   5.956
   37    HB2  ASN   5           1HB      ASN   5   0.701   0.097   7.603
   38    HB3  ASN   5           2HB      ASN   5  -0.196   1.511   7.051
   39   HD21  ASN   5          2HD2      ASN   5   0.233  -0.194   9.784
   40   HD22  ASN   5          1HD2      ASN   5  -1.319  -0.094  10.465
   41    H    LYS   6           H        LYS   6  -1.156   1.468   4.388
   42    HA   LYS   6           HA       LYS   6   0.696   0.425   2.443
   43    HB2  LYS   6           1HB      LYS   6   0.167   2.888   1.466
   44    HB3  LYS   6           2HB      LYS   6  -0.978   1.550   1.309
   45    HG2  LYS   6           1HG      LYS   6  -2.340   2.324   3.062
   46    HG3  LYS   6           2HG      LYS   6  -1.052   3.308   3.759
   47    HD2  LYS   6           1HD      LYS   6  -2.719   4.729   2.630
   48    HD3  LYS   6           2HD      LYS   6  -1.160   4.826   1.812
   49    HE2  LYS   6           1HE      LYS   6  -1.892   3.317   0.079
   50    HE3  LYS   6           2HE      LYS   6  -3.379   2.952   0.953
   51    HZ1  LYS   6           3HZ      LYS   6  -4.282   4.974   0.450
   52    HZ2  LYS   6           1HZ      LYS   6  -3.359   4.713  -0.948
   53    HZ3  LYS   6           2HZ      LYS   6  -2.777   5.741   0.272
   54    HA   PRO   7           HA       PRO   7   4.111   2.893   3.967
   55    HB2  PRO   7           1HB      PRO   7   5.893   2.597   2.016
   56    HB3  PRO   7           2HB      PRO   7   5.280   1.149   2.840
   57    HG2  PRO   7           1HG      PRO   7   4.393   2.330   0.232
   58    HG3  PRO   7           2HG      PRO   7   4.825   0.645   0.602
   59    HD2  PRO   7           1HD      PRO   7   2.217   1.570   0.592
   60    HD3  PRO   7           2HD      PRO   7   2.773   0.196   1.586
   61    H    ARG   8           H        ARG   8   5.251   3.799   0.949
   62    HA   ARG   8           HA       ARG   8   4.229   6.510   1.246
   63    HB2  ARG   8           1HB      ARG   8   6.257   5.259  -0.622
   64    HB3  ARG   8           2HB      ARG   8   5.739   6.941  -0.753
   65    HG2  ARG   8           1HG      ARG   8   6.504   7.383   1.530
   66    HG3  ARG   8           2HG      ARG   8   6.964   5.690   1.725
   67    HD2  ARG   8           1HD      ARG   8   8.587   5.911  -0.111
   68    HD3  ARG   8           2HD      ARG   8   8.121   7.595  -0.330
   69    HE   ARG   8           HE       ARG   8   8.872   7.351   2.331
   70   HH11  ARG   8          1HH2      ARG   8  10.256   6.861  -0.801
   71   HH12  ARG   8          2HH2      ARG   8  11.869   7.244  -0.303
   72   HH21  ARG   8          1HH1      ARG   8  10.986   7.856   2.997
   73   HH22  ARG   8          2HH1      ARG   8  12.283   7.809   1.850
   74    H    ARG   9           H        ARG   9   4.873   5.618  -1.927
   75    HA   ARG   9           HA       ARG   9   2.026   5.732  -2.637
   76    HB2  ARG   9           1HB      ARG   9   4.562   5.954  -4.273
   77    HB3  ARG   9           2HB      ARG   9   2.941   5.992  -4.963
   78    HG2  ARG   9           1HG      ARG   9   2.484   8.111  -4.143
   79    HG3  ARG   9           2HG      ARG   9   3.468   7.886  -2.698
   80    HD2  ARG   9           1HD      ARG   9   5.477   8.342  -3.858
   81    HD3  ARG   9           2HD      ARG   9   4.725   8.114  -5.435
   82    HE   ARG   9           HE       ARG   9   4.708  10.526  -3.853
   83   HH11  ARG   9          1HH2      ARG   9   3.021   8.630  -6.210
   84   HH12  ARG   9          2HH2      ARG   9   2.199   9.983  -6.909
   85   HH21  ARG   9          1HH1      ARG   9   3.643  12.302  -4.771
   86   HH22  ARG   9          2HH1      ARG   9   2.560  12.066  -6.102
   87    HA   PRO  10           HA       PRO  10   2.737   1.259  -2.913
   88    HB2  PRO  10           1HB      PRO  10   0.158   0.437  -3.336
   89    HB3  PRO  10           2HB      PRO  10   0.769   0.915  -1.741
   90    HG2  PRO  10           1HG      PRO  10  -0.860   2.489  -3.688
   91    HG3  PRO  10           2HG      PRO  10  -1.006   2.385  -1.923
   92    HD2  PRO  10           1HD      PRO  10   0.224   4.478  -3.202
   93    HD3  PRO  10           2HD      PRO  10   0.666   3.959  -1.560
   94    H    TYR  11           H        TYR  11   3.753   2.285  -5.016
   95    HA   TYR  11           HA       TYR  11   3.888   2.446  -7.336
   96    HB2  TYR  11           1HB      TYR  11   4.820   0.261  -6.779
   97    HB3  TYR  11           2HB      TYR  11   3.214  -0.465  -6.863
   98    HD1  TYR  11           HD1      TYR  11   5.780   1.359  -8.869
   99    HD2  TYR  11           HD2      TYR  11   2.282  -1.136  -8.943
  100    HE1  TYR  11           HE1      TYR  11   6.039   1.064 -11.318
  101    HE2  TYR  11           HE2      TYR  11   2.544  -1.433 -11.390
  102    HH   TYR  11           HH       TYR  11   4.273  -1.287 -13.085
  103    H    ILE  12           H        ILE  12   2.070   3.784  -7.817
  104    HA   ILE  12           HA       ILE  12  -0.269   2.333  -8.944
  105    HB   ILE  12           HB       ILE  12  -0.102   5.172  -7.889
  106   HG12  ILE  12          1HG1      ILE  12  -1.640   2.800  -6.792
  107   HG13  ILE  12          2HG1      ILE  12  -0.052   3.276  -6.190
  108   HG21  ILE  12          1HG2      ILE  12  -2.335   3.525  -9.106
  109   HG22  ILE  12          2HG2      ILE  12  -1.704   5.070  -9.679
  110   HG23  ILE  12          3HG2      ILE  12  -2.625   4.996  -8.175
  111   HD11  ILE  12          3HD1      ILE  12  -2.440   5.139  -6.298
  112   HD12  ILE  12          1HD1      ILE  12  -0.883   5.453  -5.532
  113   HD13  ILE  12          2HD1      ILE  12  -1.965   4.231  -4.862
  114    H    LEU  13           H        LEU  13  -0.246   2.291 -11.103
  115    HA   LEU  13           HA       LEU  13   0.055   4.616 -12.698
  116    HB2  LEU  13           1HB      LEU  13   2.481   4.029 -11.953
  117    HB3  LEU  13           2HB      LEU  13   2.346   2.687 -13.080
  118    HG   LEU  13           HG       LEU  13   1.865   5.594 -13.804
  119   HD11  LEU  13          1HD1      LEU  13   4.061   5.367 -14.996
  120   HD12  LEU  13          2HD1      LEU  13   4.273   3.800 -14.218
  121   HD13  LEU  13          3HD1      LEU  13   4.206   5.267 -13.242
  122   HD21  LEU  13          3HD2      LEU  13   1.819   2.991 -15.331
  123   HD22  LEU  13          1HD2      LEU  13   2.279   4.480 -16.160
  124   HD23  LEU  13          2HD2      LEU  13   0.692   4.345 -15.408
  Start of MODEL   17
    1    H1   GLU   1           1H       GLU   1  -4.854  -5.909   2.377
    2    H2   GLU   1           2H       GLU   1  -5.042  -6.667   0.868
    3    H3   GLU   1           3H       GLU   1  -3.487  -6.393   1.497
    4    HA   GLU   1           HA       GLU   1  -5.526  -8.298   2.481
    5    HB2  GLU   1           1HB      GLU   1  -4.051  -8.966   0.568
    6    HB3  GLU   1           2HB      GLU   1  -2.651  -8.678   1.600
    7    HG2  GLU   1           1HG      GLU   1  -3.129 -11.031   1.703
    8    HG3  GLU   1           2HG      GLU   1  -3.642 -10.340   3.240
    9    H    LEU   2           H        LEU   2  -2.657  -6.418   3.164
   10    HA   LEU   2           HA       LEU   2  -2.136  -7.653   5.716
   11    HB2  LEU   2           1HB      LEU   2  -1.114  -5.066   4.519
   12    HB3  LEU   2           2HB      LEU   2  -0.464  -5.862   5.953
   13    HG   LEU   2           HG       LEU   2  -0.596  -7.109   3.189
   14   HD11  LEU   2          1HD1      LEU   2   1.752  -5.947   4.728
   15   HD12  LEU   2          2HD1      LEU   2   1.006  -5.232   3.298
   16   HD13  LEU   2          3HD1      LEU   2   1.856  -6.773   3.172
   17   HD21  LEU   2          3HD2      LEU   2   0.331  -8.065   5.894
   18   HD22  LEU   2          1HD2      LEU   2   1.179  -8.633   4.456
   19   HD23  LEU   2          2HD2      LEU   2  -0.544  -8.940   4.638
   20    H    TYR   3           H        TYR   3  -2.499  -6.778   7.757
   21    HA   TYR   3           HA       TYR   3  -4.944  -5.410   8.127
   22    HB2  TYR   3           1HB      TYR   3  -2.657  -5.763  10.083
   23    HB3  TYR   3           2HB      TYR   3  -4.322  -5.341  10.493
   24    HD1  TYR   3           HD1      TYR   3  -6.181  -6.977   9.964
   25    HD2  TYR   3           HD2      TYR   3  -2.025  -8.017   9.670
   26    HE1  TYR   3           HE1      TYR   3  -6.781  -9.386   9.979
   27    HE2  TYR   3           HE2      TYR   3  -2.624 -10.423   9.686
   28    HH   TYR   3           HH       TYR   3  -4.899 -11.750   8.964
   29    H    GLU   4           H        GLU   4  -1.573  -4.335   8.232
   30    HA   GLU   4           HA       GLU   4  -2.095  -1.684   9.083
   31    HB2  GLU   4           1HB      GLU   4   0.217  -2.858   7.520
   32    HB3  GLU   4           2HB      GLU   4   0.181  -1.203   8.121
   33    HG2  GLU   4           1HG      GLU   4   1.317  -2.321   9.837
   34    HG3  GLU   4           2HG      GLU   4  -0.336  -2.315  10.441
   35    H    ASN   5           H        ASN   5  -2.237   0.239   7.916
   36    HA   ASN   5           HA       ASN   5  -3.757   0.164   5.544
   37    HB2  ASN   5           1HB      ASN   5  -2.142   2.404   6.781
   38    HB3  ASN   5           2HB      ASN   5  -3.263   2.617   5.438
   39   HD21  ASN   5          2HD2      ASN   5  -5.050   0.431   6.735
   40   HD22  ASN   5          1HD2      ASN   5  -5.863   1.270   7.964
   41    H    LYS   6           H        LYS   6  -2.939   1.621   3.589
   42    HA   LYS   6           HA       LYS   6  -1.078   0.124   2.170
   43    HB2  LYS   6           1HB      LYS   6  -1.554   3.067   1.689
   44    HB3  LYS   6           2HB      LYS   6  -1.127   1.830   0.506
   45    HG2  LYS   6           1HG      LYS   6  -3.309   0.680   1.029
   46    HG3  LYS   6           2HG      LYS   6  -3.741   2.071   2.024
   47    HD2  LYS   6           1HD      LYS   6  -3.284   3.508  -0.042
   48    HD3  LYS   6           2HD      LYS   6  -3.251   2.001  -0.959
   49    HE2  LYS   6           1HE      LYS   6  -5.560   2.992   0.738
   50    HE3  LYS   6           2HE      LYS   6  -5.503   2.983  -1.025
   51    HZ1  LYS   6           3HZ      LYS   6  -6.693   1.063  -0.205
   52    HZ2  LYS   6           1HZ      LYS   6  -5.367   0.601   0.745
   53    HZ3  LYS   6           2HZ      LYS   6  -5.246   0.569  -0.949
   54    HA   PRO   7           HA       PRO   7   2.730   1.908   3.733
   55    HB2  PRO   7           1HB      PRO   7   4.522   0.811   2.117
   56    HB3  PRO   7           2HB      PRO   7   3.444  -0.265   3.032
   57    HG2  PRO   7           1HG      PRO   7   3.197   0.650   0.190
   58    HG3  PRO   7           2HG      PRO   7   3.078  -1.000   0.845
   59    HD2  PRO   7           1HD      PRO   7   0.874   0.622   0.341
   60    HD3  PRO   7           2HD      PRO   7   0.887  -0.706   1.532
   61    H    ARG   8           H        ARG   8   4.405   1.976   0.856
   62    HA   ARG   8           HA       ARG   8   3.973   4.842   0.529
   63    HB2  ARG   8           1HB      ARG   8   5.845   4.695  -1.097
   64    HB3  ARG   8           2HB      ARG   8   6.295   4.050   0.480
   65    HG2  ARG   8           1HG      ARG   8   5.951   1.768  -0.299
   66    HG3  ARG   8           2HG      ARG   8   5.348   2.353  -1.851
   67    HD2  ARG   8           1HD      ARG   8   7.671   1.715  -2.126
   68    HD3  ARG   8           2HD      ARG   8   7.553   3.469  -2.230
   69    HE   ARG   8           HE       ARG   8   8.086   2.681   0.450
   70   HH11  ARG   8          1HH2      ARG   8   9.496   2.949  -2.696
   71   HH12  ARG   8          2HH2      ARG   8  11.113   3.155  -2.108
   72   HH21  ARG   8          1HH1      ARG   8  10.206   2.948   1.233
   73   HH22  ARG   8          2HH1      ARG   8  11.514   3.148   0.117
   74    H    ARG   9           H        ARG   9   4.510   4.858  -2.315
   75    HA   ARG   9           HA       ARG   9   1.847   4.471  -3.243
   76    HB2  ARG   9           1HB      ARG   9   3.077   4.758  -5.553
   77    HB3  ARG   9           2HB      ARG   9   2.981   6.126  -4.446
   78    HG2  ARG   9           1HG      ARG   9   5.216   5.789  -3.673
   79    HG3  ARG   9           2HG      ARG   9   5.318   4.205  -4.438
   80    HD2  ARG   9           1HD      ARG   9   6.532   5.763  -5.820
   81    HD3  ARG   9           2HD      ARG   9   5.046   5.345  -6.666
   82    HE   ARG   9           HE       ARG   9   4.325   7.544  -6.393
   83   HH11  ARG   9          1HH2      ARG   9   7.057   6.845  -4.385
   84   HH12  ARG   9          2HH2      ARG   9   7.311   8.495  -3.921
   85   HH21  ARG   9          1HH1      ARG   9   4.654   9.709  -5.789
   86   HH22  ARG   9          2HH1      ARG   9   5.950  10.115  -4.713
   87    HA   PRO  10           HA       PRO  10   2.726   0.075  -3.731
   88    HB2  PRO  10           1HB      PRO  10   0.224  -0.784  -4.464
   89    HB3  PRO  10           2HB      PRO  10   0.674  -0.404  -2.790
   90    HG2  PRO  10           1HG      PRO  10  -0.872   1.224  -4.750
   91    HG3  PRO  10           2HG      PRO  10  -1.090   1.057  -2.999
   92    HD2  PRO  10           1HD      PRO  10   0.162   3.218  -4.207
   93    HD3  PRO  10           2HD      PRO  10   0.445   2.720  -2.525
   94    H    TYR  11           H        TYR  11   0.149   0.561  -6.101
   95    HA   TYR  11           HA       TYR  11   2.026  -0.222  -8.256
   96    HB2  TYR  11           1HB      TYR  11  -0.994  -0.420  -8.142
   97    HB3  TYR  11           2HB      TYR  11   0.034  -0.984  -9.461
   98    HD1  TYR  11           HD2      TYR  11   1.890  -2.693  -8.880
   99    HD2  TYR  11           HD1      TYR  11  -1.436  -1.830  -6.301
  100    HE1  TYR  11           HE2      TYR  11   2.264  -4.832  -7.679
  101    HE2  TYR  11           HE1      TYR  11  -1.060  -3.967  -5.101
  102    HH   TYR  11           HH       TYR  11   0.033  -5.940  -5.162
  103    H    ILE  12           H        ILE  12   0.956   2.543  -7.022
  104    HA   ILE  12           HA       ILE  12  -0.051   3.819  -9.434
  105    HB   ILE  12           HB       ILE  12   0.702   4.925  -6.717
  106   HG12  ILE  12          1HG1      ILE  12  -2.024   4.589  -7.998
  107   HG13  ILE  12          2HG1      ILE  12  -1.310   3.374  -6.937
  108   HG21  ILE  12          1HG2      ILE  12   0.965   6.710  -8.289
  109   HG22  ILE  12          2HG2      ILE  12  -0.635   6.925  -7.578
  110   HG23  ILE  12          3HG2      ILE  12  -0.473   6.221  -9.187
  111   HD11  ILE  12          3HD1      ILE  12  -1.184   4.967  -5.108
  112   HD12  ILE  12          1HD1      ILE  12  -2.832   4.965  -5.735
  113   HD13  ILE  12          2HD1      ILE  12  -1.729   6.274  -6.159
  114    H    LEU  13           H        LEU  13   1.187   4.642 -10.974
  115    HA   LEU  13           HA       LEU  13   4.074   4.921 -10.543
  116    HB2  LEU  13           1HB      LEU  13   4.162   5.190 -12.996
  117    HB3  LEU  13           2HB      LEU  13   3.342   3.707 -12.517
  118    HG   LEU  13           HG       LEU  13   1.210   5.469 -12.624
  119   HD11  LEU  13          1HD1      LEU  13   2.915   6.167 -15.023
  120   HD12  LEU  13          2HD1      LEU  13   2.851   7.188 -13.588
  121   HD13  LEU  13          3HD1      LEU  13   1.386   6.893 -14.525
  122   HD21  LEU  13          3HD2      LEU  13   1.295   3.223 -13.642
  123   HD22  LEU  13          1HD2      LEU  13   2.333   3.840 -14.928
  124   HD23  LEU  13          2HD2      LEU  13   0.670   4.406 -14.789
  Start of MODEL   18
    1    H1   GLU   1           1H       GLU   1  -6.531 -12.283   8.897
    2    H2   GLU   1           2H       GLU   1  -7.375 -10.822   8.706
    3    H3   GLU   1           3H       GLU   1  -7.166 -11.489  10.254
    4    HA   GLU   1           HA       GLU   1  -5.147 -10.622  10.510
    5    HB2  GLU   1           1HB      GLU   1  -3.446 -10.702   8.721
    6    HB3  GLU   1           2HB      GLU   1  -4.223 -12.272   8.927
    7    HG2  GLU   1           1HG      GLU   1  -5.745 -11.745   7.037
    8    HG3  GLU   1           2HG      GLU   1  -4.905 -10.212   6.807
    9    H    LEU   2           H        LEU   2  -3.892  -8.628   9.814
   10    HA   LEU   2           HA       LEU   2  -5.757  -6.518   9.253
   11    HB2  LEU   2           1HB      LEU   2  -2.736  -6.407   9.427
   12    HB3  LEU   2           2HB      LEU   2  -3.840  -5.039   9.536
   13    HG   LEU   2           HG       LEU   2  -3.772  -7.381  11.463
   14   HD11  LEU   2          1HD1      LEU   2  -1.796  -5.799  11.531
   15   HD12  LEU   2          2HD1      LEU   2  -2.731  -5.872  13.025
   16   HD13  LEU   2          3HD1      LEU   2  -2.930  -4.507  11.926
   17   HD21  LEU   2          3HD2      LEU   2  -5.189  -5.613  12.801
   18   HD22  LEU   2          1HD2      LEU   2  -5.980  -6.574  11.555
   19   HD23  LEU   2          2HD2      LEU   2  -5.495  -4.913  11.211
   20    H    TYR   3           H        TYR   3  -5.902  -5.211   7.446
   21    HA   TYR   3           HA       TYR   3  -5.078  -6.429   4.951
   22    HB2  TYR   3           1HB      TYR   3  -6.587  -3.875   5.559
   23    HB3  TYR   3           2HB      TYR   3  -6.288  -4.493   3.934
   24    HD1  TYR   3           HD2      TYR   3  -8.051  -5.096   7.124
   25    HD2  TYR   3           HD1      TYR   3  -7.433  -6.461   3.099
   26    HE1  TYR   3           HE2      TYR   3 -10.011  -6.603   7.336
   27    HE2  TYR   3           HE1      TYR   3  -9.391  -7.969   3.309
   28    HH   TYR   3           HH       TYR   3 -11.197  -8.469   4.569
   29    H    GLU   4           H        GLU   4  -3.498  -5.759   3.587
   30    HA   GLU   4           HA       GLU   4  -1.404  -4.118   4.643
   31    HB2  GLU   4           1HB      GLU   4  -0.994  -6.046   3.136
   32    HB3  GLU   4           2HB      GLU   4  -1.777  -5.163   1.825
   33    HG2  GLU   4           1HG      GLU   4  -0.096  -3.375   2.007
   34    HG3  GLU   4           2HG      GLU   4   0.677  -4.225   3.343
   35    H    ASN   5           H        ASN   5  -1.197  -1.996   4.536
   36    HA   ASN   5           HA       ASN   5  -2.927  -0.438   2.718
   37    HB2  ASN   5           1HB      ASN   5  -1.376   0.304   5.207
   38    HB3  ASN   5           2HB      ASN   5  -2.200   1.481   4.186
   39   HD21  ASN   5          2HD2      ASN   5  -2.985   1.079   6.909
   40   HD22  ASN   5          1HD2      ASN   5  -4.533   0.383   6.921
   41    H    LYS   6           H        LYS   6  -2.020   1.218   1.402
   42    HA   LYS   6           HA       LYS   6   0.238   0.630  -0.027
   43    HB2  LYS   6           1HB      LYS   6  -0.492   3.502   0.550
   44    HB3  LYS   6           2HB      LYS   6   0.168   2.817  -0.933
   45    HG2  LYS   6           1HG      LYS   6  -2.616   2.393   0.188
   46    HG3  LYS   6           2HG      LYS   6  -2.183   3.234  -1.300
   47    HD2  LYS   6           1HD      LYS   6  -1.136   1.025  -2.068
   48    HD3  LYS   6           2HD      LYS   6  -1.980   0.275  -0.712
   49    HE2  LYS   6           1HE      LYS   6  -4.121   1.249  -1.587
   50    HE3  LYS   6           2HE      LYS   6  -3.237   1.811  -3.003
   51    HZ1  LYS   6           3HZ      LYS   6  -4.210  -0.797  -2.405
   52    HZ2  LYS   6           1HZ      LYS   6  -2.547  -0.828  -2.734
   53    HZ3  LYS   6           2HZ      LYS   6  -3.625  -0.176  -3.874
   54    HA   PRO   7           HA       PRO   7   3.520   1.837   2.769
   55    HB2  PRO   7           1HB      PRO   7   5.648   1.742   1.171
   56    HB3  PRO   7           2HB      PRO   7   4.674   0.274   1.394
   57    HG2  PRO   7           1HG      PRO   7   4.579   2.257  -0.851
   58    HG3  PRO   7           2HG      PRO   7   4.672   0.485  -0.934
   59    HD2  PRO   7           1HD      PRO   7   2.297   1.885  -1.133
   60    HD3  PRO   7           2HD      PRO   7   2.406   0.215  -0.518
   61    H    ARG   8           H        ARG   8   5.402   3.276   0.386
   62    HA   ARG   8           HA       ARG   8   4.803   5.959   1.351
   63    HB2  ARG   8           1HB      ARG   8   6.916   4.871  -0.525
   64    HB3  ARG   8           2HB      ARG   8   6.721   6.590  -0.178
   65    HG2  ARG   8           1HG      ARG   8   7.101   6.173   2.208
   66    HG3  ARG   8           2HG      ARG   8   7.239   4.442   1.898
   67    HD2  ARG   8           1HD      ARG   8   9.020   6.510   0.593
   68    HD3  ARG   8           2HD      ARG   8   9.454   5.662   2.076
   69    HE   ARG   8           HE       ARG   8   8.736   3.746   0.144
   70   HH11  ARG   8          1HH2      ARG   8  11.153   6.141   0.782
   71   HH12  ARG   8          2HH2      ARG   8  12.402   5.310  -0.085
   72   HH21  ARG   8          1HH1      ARG   8  10.369   2.651  -0.990
   73   HH22  ARG   8          2HH1      ARG   8  11.958   3.333  -1.086
   74    H    ARG   9           H        ARG   9   5.803   5.319  -1.888
   75    HA   ARG   9           HA       ARG   9   3.438   6.670  -2.927
   76    HB2  ARG   9           1HB      ARG   9   4.640   6.961  -4.950
   77    HB3  ARG   9           2HB      ARG   9   5.786   7.273  -3.656
   78    HG2  ARG   9           1HG      ARG   9   5.569   4.700  -5.257
   79    HG3  ARG   9           2HG      ARG   9   6.820   5.918  -5.411
   80    HD2  ARG   9           1HD      ARG   9   6.322   4.114  -3.036
   81    HD3  ARG   9           2HD      ARG   9   7.752   4.197  -4.049
   82    HE   ARG   9           HE       ARG   9   7.018   6.058  -1.918
   83   HH11  ARG   9          1HH2      ARG   9   9.007   5.319  -4.658
   84   HH12  ARG   9          2HH2      ARG   9  10.262   6.427  -4.218
   85   HH21  ARG   9          1HH1      ARG   9   8.662   7.517  -1.342
   86   HH22  ARG   9          2HH1      ARG   9  10.066   7.674  -2.346
   87    HA   PRO  10           HA       PRO  10   1.751   2.517  -3.434
   88    HB2  PRO  10           1HB      PRO  10  -0.127   3.781  -5.393
   89    HB3  PRO  10           2HB      PRO  10  -0.488   2.791  -3.966
   90    HG2  PRO  10           1HG      PRO  10  -0.872   5.456  -4.010
   91    HG3  PRO  10           2HG      PRO  10  -0.411   4.583  -2.539
   92    HD2  PRO  10           1HD      PRO  10   1.261   6.351  -4.279
   93    HD3  PRO  10           2HD      PRO  10   1.370   6.037  -2.531
   94    H    TYR  11           H        TYR  11   1.969   0.880  -4.980
   95    HA   TYR  11           HA       TYR  11   3.925   0.933  -6.851
   96    HB2  TYR  11           1HB      TYR  11   2.671  -1.100  -6.128
   97    HB3  TYR  11           2HB      TYR  11   1.354  -0.625  -7.200
   98    HD1  TYR  11           HD1      TYR  11   5.048  -1.247  -7.203
   99    HD2  TYR  11           HD2      TYR  11   1.390  -1.314  -9.454
  100    HE1  TYR  11           HE1      TYR  11   6.238  -2.295  -9.108
  101    HE2  TYR  11           HE2      TYR  11   2.582  -2.357 -11.360
  102    HH   TYR  11           HH       TYR  11   5.756  -2.326 -11.782
  103    H    ILE  12           H        ILE  12   0.610   2.032  -7.301
  104    HA   ILE  12           HA       ILE  12   0.813   2.427 -10.134
  105    HB   ILE  12           HB       ILE  12  -1.068   3.800  -8.204
  106   HG12  ILE  12          1HG1      ILE  12  -1.206   1.406  -7.809
  107   HG13  ILE  12          2HG1      ILE  12  -2.620   1.906  -8.734
  108   HG21  ILE  12          1HG2      ILE  12  -1.346   3.078 -11.136
  109   HG22  ILE  12          2HG2      ILE  12  -0.974   4.689 -10.522
  110   HG23  ILE  12          3HG2      ILE  12  -2.532   3.943 -10.160
  111   HD11  ILE  12          3HD1      ILE  12  -0.205   0.372  -9.670
  112   HD12  ILE  12          1HD1      ILE  12  -1.198   1.259 -10.825
  113   HD13  ILE  12          2HD1      ILE  12  -1.908  -0.032  -9.860
  114    H    LEU  13           H        LEU  13   1.738   4.062 -11.203
  115    HA   LEU  13           HA       LEU  13   2.863   6.308  -9.683
  116    HB2  LEU  13           1HB      LEU  13   4.327   5.075 -11.237
  117    HB3  LEU  13           2HB      LEU  13   3.248   5.472 -12.572
  118    HG   LEU  13           HG       LEU  13   3.676   7.881 -12.205
  119   HD11  LEU  13          1HD1      LEU  13   4.186   8.200  -9.949
  120   HD12  LEU  13          2HD1      LEU  13   5.792   8.290 -10.667
  121   HD13  LEU  13          3HD1      LEU  13   5.259   6.802  -9.882
  122   HD21  LEU  13          3HD2      LEU  13   5.105   6.507 -13.734
  123   HD22  LEU  13          1HD2      LEU  13   6.243   6.276 -12.407
  124   HD23  LEU  13          2HD2      LEU  13   5.960   7.893 -13.057
  Start of MODEL   19
    1    H1   GLU   1           1H       GLU   1  -7.401  -8.140   4.702
    2    H2   GLU   1           2H       GLU   1  -8.362  -9.264   3.865
    3    H3   GLU   1           3H       GLU   1  -7.779  -7.881   3.069
    4    HA   GLU   1           HA       GLU   1  -5.980  -9.928   4.221
    5    HB2  GLU   1           1HB      GLU   1  -7.502 -10.930   2.514
    6    HB3  GLU   1           2HB      GLU   1  -6.964  -9.711   1.360
    7    HG2  GLU   1           1HG      GLU   1  -4.660 -10.518   1.533
    8    HG3  GLU   1           2HG      GLU   1  -5.140 -11.689   2.760
    9    H    LEU   2           H        LEU   2  -6.640  -6.926   2.760
   10    HA   LEU   2           HA       LEU   2  -4.062  -6.488   1.554
   11    HB2  LEU   2           1HB      LEU   2  -6.244  -4.536   2.331
   12    HB3  LEU   2           2HB      LEU   2  -4.863  -4.172   1.298
   13    HG   LEU   2           HG       LEU   2  -6.875  -6.357   0.694
   14   HD11  LEU   2          1HD1      LEU   2  -7.680  -4.686  -1.059
   15   HD12  LEU   2          2HD1      LEU   2  -6.760  -3.461  -0.186
   16   HD13  LEU   2          3HD1      LEU   2  -8.095  -4.295   0.610
   17   HD21  LEU   2          3HD2      LEU   2  -4.928  -6.830  -0.551
   18   HD22  LEU   2          1HD2      LEU   2  -4.540  -5.126  -0.782
   19   HD23  LEU   2          2HD2      LEU   2  -5.869  -5.860  -1.678
   20    H    TYR   3           H        TYR   3  -2.425  -5.077   2.320
   21    HA   TYR   3           HA       TYR   3  -1.925  -5.268   5.120
   22    HB2  TYR   3           1HB      TYR   3  -0.552  -3.661   2.954
   23    HB3  TYR   3           2HB      TYR   3   0.055  -3.841   4.600
   24    HD1  TYR   3           HD2      TYR   3  -0.756  -5.661   1.468
   25    HD2  TYR   3           HD1      TYR   3   1.095  -5.876   5.338
   26    HE1  TYR   3           HE2      TYR   3   0.275  -7.831   0.854
   27    HE2  TYR   3           HE1      TYR   3   2.126  -8.048   4.725
   28    HH   TYR   3           HH       TYR   3   2.109  -9.238   1.486
   29    H    GLU   4           H        GLU   4  -2.572  -3.980   6.704
   30    HA   GLU   4           HA       GLU   4  -4.204  -1.690   6.224
   31    HB2  GLU   4           1HB      GLU   4  -2.922  -2.762   8.748
   32    HB3  GLU   4           2HB      GLU   4  -4.065  -1.419   8.714
   33    HG2  GLU   4           1HG      GLU   4  -4.655  -4.186   7.624
   34    HG3  GLU   4           2HG      GLU   4  -5.141  -3.626   9.222
   35    H    ASN   5           H        ASN   5  -0.839  -2.145   7.220
   36    HA   ASN   5           HA       ASN   5  -0.412   0.734   7.464
   37    HB2  ASN   5           1HB      ASN   5   1.453  -1.626   7.786
   38    HB3  ASN   5           2HB      ASN   5   1.907   0.056   8.058
   39   HD21  ASN   5          2HD2      ASN   5  -0.766   0.749   9.227
   40   HD22  ASN   5          1HD2      ASN   5  -0.781   0.048  10.772
   41    H    LYS   6           H        LYS   6  -0.417   1.728   5.517
   42    HA   LYS   6           HA       LYS   6   0.847   0.565   3.189
   43    HB2  LYS   6           1HB      LYS   6  -0.589   3.139   3.796
   44    HB3  LYS   6           2HB      LYS   6   0.350   3.003   2.311
   45    HG2  LYS   6           1HG      LYS   6  -0.984   1.189   1.518
   46    HG3  LYS   6           2HG      LYS   6  -1.724   0.943   3.100
   47    HD2  LYS   6           1HD      LYS   6  -3.292   2.109   1.616
   48    HD3  LYS   6           2HD      LYS   6  -2.793   3.178   2.927
   49    HE2  LYS   6           1HE      LYS   6  -1.345   4.415   1.520
   50    HE3  LYS   6           2HE      LYS   6  -1.347   3.166   0.275
   51    HZ1  LYS   6           3HZ      LYS   6  -3.508   5.050   0.990
   52    HZ2  LYS   6           1HZ      LYS   6  -3.827   3.628   0.122
   53    HZ3  LYS   6           2HZ      LYS   6  -2.779   4.799  -0.523
   54    HA   PRO   7           HA       PRO   7   4.732   2.649   3.948
   55    HB2  PRO   7           1HB      PRO   7   5.961   2.374   1.619
   56    HB3  PRO   7           2HB      PRO   7   5.351   0.910   2.416
   57    HG2  PRO   7           1HG      PRO   7   4.051   2.533   0.257
   58    HG3  PRO   7           2HG      PRO   7   4.355   0.777   0.297
   59    HD2  PRO   7           1HD      PRO   7   1.949   1.901   1.050
   60    HD3  PRO   7           2HD      PRO   7   2.561   0.369   1.719
   61    H    ARG   8           H        ARG   8   5.616   3.936   1.127
   62    HA   ARG   8           HA       ARG   8   4.525   6.561   1.759
   63    HB2  ARG   8           1HB      ARG   8   6.662   5.546  -0.114
   64    HB3  ARG   8           2HB      ARG   8   5.999   7.162  -0.330
   65    HG2  ARG   8           1HG      ARG   8   6.972   6.300   2.389
   66    HG3  ARG   8           2HG      ARG   8   8.130   6.834   1.173
   67    HD2  ARG   8           1HD      ARG   8   6.830   8.948   0.914
   68    HD3  ARG   8           2HD      ARG   8   5.763   8.431   2.212
   69    HE   ARG   8           HE       ARG   8   8.534   9.326   2.485
   70   HH11  ARG   8          1HH2      ARG   8   5.741   7.839   3.903
   71   HH12  ARG   8          2HH2      ARG   8   6.231   8.164   5.532
   72   HH21  ARG   8          1HH1      ARG   8   9.174   9.750   4.619
   73   HH22  ARG   8          2HH1      ARG   8   8.170   9.244   5.938
   74    H    ARG   9           H        ARG   9   5.131   6.153  -1.511
   75    HA   ARG   9           HA       ARG   9   2.259   6.156  -2.121
   76    HB2  ARG   9           1HB      ARG   9   4.570   6.640  -4.011
   77    HB3  ARG   9           2HB      ARG   9   2.876   7.068  -4.252
   78    HG2  ARG   9           1HG      ARG   9   4.766   8.253  -2.196
   79    HG3  ARG   9           2HG      ARG   9   4.116   9.070  -3.617
   80    HD2  ARG   9           1HD      ARG   9   2.670   8.216  -1.114
   81    HD3  ARG   9           2HD      ARG   9   2.721   9.809  -1.866
   82    HE   ARG   9           HE       ARG   9   1.001   7.582  -2.628
   83   HH11  ARG   9          1HH2      ARG   9   2.413  10.634  -3.449
   84   HH12  ARG   9          2HH2      ARG   9   1.219  11.020  -4.643
   85   HH21  ARG   9          1HH1      ARG   9  -0.569   8.084  -4.194
   86   HH22  ARG   9          2HH1      ARG   9  -0.468   9.580  -5.063
   87    HA   PRO  10           HA       PRO  10   3.115   1.853  -3.077
   88    HB2  PRO  10           1HB      PRO  10   0.657   1.074  -3.987
   89    HB3  PRO  10           2HB      PRO  10   0.996   1.356  -2.267
   90    HG2  PRO  10           1HG      PRO  10  -0.319   3.166  -4.251
   91    HG3  PRO  10           2HG      PRO  10  -0.779   2.813  -2.575
   92    HD2  PRO  10           1HD      PRO  10   0.594   5.071  -3.279
   93    HD3  PRO  10           2HD      PRO  10   0.790   4.291  -1.691
   94    H    TYR  11           H        TYR  11   3.308   0.465  -4.964
   95    HA   TYR  11           HA       TYR  11   3.825   1.967  -7.386
   96    HB2  TYR  11           1HB      TYR  11   4.135  -0.979  -6.766
   97    HB3  TYR  11           2HB      TYR  11   4.703  -0.181  -8.232
   98    HD1  TYR  11           HD2      TYR  11   6.370   1.738  -8.009
   99    HD2  TYR  11           HD1      TYR  11   5.428  -0.925  -4.774
  100    HE1  TYR  11           HE2      TYR  11   8.452   2.418  -6.844
  101    HE2  TYR  11           HE1      TYR  11   7.507  -0.243  -3.608
  102    HH   TYR  11           HH       TYR  11  10.013   1.296  -5.069
  103    H    ILE  12           H        ILE  12   1.023   1.007  -6.197
  104    HA   ILE  12           HA       ILE  12  -0.077  -0.473  -8.419
  105    HB   ILE  12           HB       ILE  12  -1.406   0.951  -6.099
  106   HG12  ILE  12          1HG1      ILE  12  -1.015  -2.013  -6.598
  107   HG13  ILE  12          2HG1      ILE  12   0.094  -1.049  -5.623
  108   HG21  ILE  12          1HG2      ILE  12  -2.488  -0.815  -8.305
  109   HG22  ILE  12          2HG2      ILE  12  -3.024   0.804  -7.853
  110   HG23  ILE  12          3HG2      ILE  12  -3.348  -0.562  -6.785
  111   HD11  ILE  12          3HD1      ILE  12  -1.848  -0.363  -4.192
  112   HD12  ILE  12          1HD1      ILE  12  -1.519  -2.096  -4.139
  113   HD13  ILE  12          2HD1      ILE  12  -2.859  -1.482  -5.105
  114    H    LEU  13           H        LEU  13  -0.819   0.354 -10.269
  115    HA   LEU  13           HA       LEU  13  -1.383   3.269 -10.420
  116    HB2  LEU  13           1HB      LEU  13  -0.228   1.424 -12.527
  117    HB3  LEU  13           2HB      LEU  13  -0.644   3.117 -12.781
  118    HG   LEU  13           HG       LEU  13   1.335   2.143 -10.700
  119   HD11  LEU  13          1HD1      LEU  13   3.083   2.893 -12.217
  120   HD12  LEU  13          2HD1      LEU  13   1.882   3.442 -13.386
  121   HD13  LEU  13          3HD1      LEU  13   2.069   1.719 -13.055
  122   HD21  LEU  13          3HD2      LEU  13   1.999   4.688 -10.999
  123   HD22  LEU  13          1HD2      LEU  13   0.647   4.256  -9.958
  124   HD23  LEU  13          2HD2      LEU  13   0.347   4.852 -11.591
  Start of MODEL   20
    1    H1   GLU   1           1H       GLU   1  -4.897  -8.746   5.963
    2    H2   GLU   1           2H       GLU   1  -4.084 -10.143   6.484
    3    H3   GLU   1           3H       GLU   1  -5.729 -10.221   6.065
    4    HA   GLU   1           HA       GLU   1  -3.505 -10.616   4.421
    5    HB2  GLU   1           1HB      GLU   1  -5.671 -11.844   4.397
    6    HB3  GLU   1           2HB      GLU   1  -6.454 -10.399   3.758
    7    HG2  GLU   1           1HG      GLU   1  -5.011 -10.459   1.778
    8    HG3  GLU   1           2HG      GLU   1  -4.162 -11.866   2.420
    9    H    LEU   2           H        LEU   2  -6.039  -8.126   4.375
   10    HA   LEU   2           HA       LEU   2  -4.945  -6.779   2.080
   11    HB2  LEU   2           1HB      LEU   2  -6.981  -5.865   4.126
   12    HB3  LEU   2           2HB      LEU   2  -6.650  -5.071   2.589
   13    HG   LEU   2           HG       LEU   2  -7.530  -7.966   2.814
   14   HD11  LEU   2          1HD1      LEU   2  -9.776  -7.219   2.275
   15   HD12  LEU   2          2HD1      LEU   2  -9.232  -5.548   2.128
   16   HD13  LEU   2          3HD1      LEU   2  -9.235  -6.340   3.703
   17   HD21  LEU   2          3HD2      LEU   2  -7.140  -6.012   0.536
   18   HD22  LEU   2          1HD2      LEU   2  -8.245  -7.375   0.370
   19   HD23  LEU   2          2HD2      LEU   2  -6.539  -7.662   0.687
   20    H    TYR   3           H        TYR   3  -3.872  -4.780   2.034
   21    HA   TYR   3           HA       TYR   3  -1.930  -4.373   4.034
   22    HB2  TYR   3           1HB      TYR   3  -2.908  -2.614   1.783
   23    HB3  TYR   3           2HB      TYR   3  -1.577  -2.155   2.844
   24    HD1  TYR   3           HD2      TYR   3   0.525  -3.435   2.861
   25    HD2  TYR   3           HD1      TYR   3  -2.674  -4.412   0.166
   26    HE1  TYR   3           HE2      TYR   3   2.081  -4.827   1.520
   27    HE2  TYR   3           HE1      TYR   3  -1.117  -5.803  -1.176
   28    HH   TYR   3           HH       TYR   3   1.772  -5.640  -1.388
   29    H    GLU   4           H        GLU   4  -2.238  -3.661   6.013
   30    HA   GLU   4           HA       GLU   4  -4.571  -2.287   6.887
   31    HB2  GLU   4           1HB      GLU   4  -1.881  -2.748   8.192
   32    HB3  GLU   4           2HB      GLU   4  -3.262  -2.027   9.019
   33    HG2  GLU   4           1HG      GLU   4  -3.310  -4.748   7.684
   34    HG3  GLU   4           2HG      GLU   4  -3.039  -4.498   9.408
   35    H    ASN   5           H        ASN   5  -1.291  -1.267   6.059
   36    HA   ASN   5           HA       ASN   5  -2.225   1.510   5.828
   37    HB2  ASN   5           1HB      ASN   5  -1.317   1.319   8.115
   38    HB3  ASN   5           2HB      ASN   5   0.200   0.708   7.455
   39   HD21  ASN   5          2HD2      ASN   5  -1.982   3.568   7.159
   40   HD22  ASN   5          1HD2      ASN   5  -0.724   4.676   6.905
   41    H    LYS   6           H        LYS   6  -1.332   2.539   4.121
   42    HA   LYS   6           HA       LYS   6   0.291   1.057   2.293
   43    HB2  LYS   6           1HB      LYS   6  -0.622   3.935   2.358
   44    HB3  LYS   6           2HB      LYS   6   0.350   3.271   1.045
   45    HG2  LYS   6           1HG      LYS   6  -1.357   1.722   0.428
   46    HG3  LYS   6           2HG      LYS   6  -2.243   1.986   1.930
   47    HD2  LYS   6           1HD      LYS   6  -2.881   4.201   1.268
   48    HD3  LYS   6           2HD      LYS   6  -1.771   4.178  -0.103
   49    HE2  LYS   6           1HE      LYS   6  -4.081   3.774  -0.852
   50    HE3  LYS   6           2HE      LYS   6  -3.080   2.348  -1.128
   51    HZ1  LYS   6           3HZ      LYS   6  -4.190   1.164   0.404
   52    HZ2  LYS   6           1HZ      LYS   6  -5.427   2.291   0.131
   53    HZ3  LYS   6           2HZ      LYS   6  -4.384   2.482   1.458
   54    HA   PRO   7           HA       PRO   7   4.192   2.642   3.809
   55    HB2  PRO   7           1HB      PRO   7   5.862   1.906   1.881
   56    HB3  PRO   7           2HB      PRO   7   4.897   0.655   2.697
   57    HG2  PRO   7           1HG      PRO   7   4.359   2.018   0.081
   58    HG3  PRO   7           2HG      PRO   7   4.359   0.279   0.452
   59    HD2  PRO   7           1HD      PRO   7   2.059   1.816   0.422
   60    HD3  PRO   7           2HD      PRO   7   2.248   0.350   1.415
   61    H    ARG   8           H        ARG   8   5.565   3.234   0.817
   62    HA   ARG   8           HA       ARG   8   5.205   6.111   1.087
   63    HB2  ARG   8           1HB      ARG   8   6.943   4.392  -0.695
   64    HB3  ARG   8           2HB      ARG   8   6.815   6.136  -0.908
   65    HG2  ARG   8           1HG      ARG   8   7.483   5.005   1.811
   66    HG3  ARG   8           2HG      ARG   8   8.746   5.152   0.592
   67    HD2  ARG   8           1HD      ARG   8   8.201   7.562   0.343
   68    HD3  ARG   8           2HD      ARG   8   6.997   7.416   1.615
   69    HE   ARG   8           HE       ARG   8   9.904   7.372   1.952
   70   HH11  ARG   8          1HH2      ARG   8   6.749   6.887   3.299
   71   HH12  ARG   8          2HH2      ARG   8   7.274   7.070   4.939
   72   HH21  ARG   8          1HH1      ARG   8  10.591   7.613   4.104
   73   HH22  ARG   8          2HH1      ARG   8   9.444   7.480   5.395
   74    H    ARG   9           H        ARG   9   5.688   5.138  -2.084
   75    HA   ARG   9           HA       ARG   9   2.928   5.860  -2.823
   76    HB2  ARG   9           1HB      ARG   9   3.914   5.984  -5.134
   77    HB3  ARG   9           2HB      ARG   9   4.580   7.143  -3.988
   78    HG2  ARG   9           1HG      ARG   9   6.177   4.752  -3.785
   79    HG3  ARG   9           2HG      ARG   9   5.987   5.102  -5.500
   80    HD2  ARG   9           1HD      ARG   9   7.984   6.205  -4.457
   81    HD3  ARG   9           2HD      ARG   9   6.863   7.339  -5.205
   82    HE   ARG   9           HE       ARG   9   6.263   6.969  -2.434
   83   HH11  ARG   9          1HH2      ARG   9   8.436   8.491  -4.659
   84   HH12  ARG   9          2HH2      ARG   9   8.825   9.801  -3.595
   85   HH21  ARG   9          1HH1      ARG   9   6.765   8.685  -1.037
   86   HH22  ARG   9          2HH1      ARG   9   7.880   9.911  -1.544
   87    HA   PRO  10           HA       PRO  10   2.611   1.293  -3.054
   88    HB2  PRO  10           1HB      PRO  10  -0.062   1.969  -4.230
   89    HB3  PRO  10           2HB      PRO  10   0.339   0.837  -2.924
   90    HG2  PRO  10           1HG      PRO  10  -0.794   3.215  -2.433
   91    HG3  PRO  10           2HG      PRO  10   0.387   2.494  -1.325
   92    HD2  PRO  10           1HD      PRO  10   0.747   4.766  -3.240
   93    HD3  PRO  10           2HD      PRO  10   1.516   4.474  -1.666
   94    H    TYR  11           H        TYR  11   3.018  -0.096  -4.746
   95    HA   TYR  11           HA       TYR  11   3.846   0.933  -7.229
   96    HB2  TYR  11           1HB      TYR  11   3.097  -1.916  -6.523
   97    HB3  TYR  11           2HB      TYR  11   4.053  -1.413  -7.918
   98    HD1  TYR  11           HD2      TYR  11   6.315  -0.449  -7.617
   99    HD2  TYR  11           HD1      TYR  11   4.033  -1.937  -4.296
  100    HE1  TYR  11           HE2      TYR  11   8.363  -0.471  -6.218
  101    HE2  TYR  11           HE1      TYR  11   6.079  -1.958  -2.897
  102    HH   TYR  11           HH       TYR  11   8.472  -0.463  -3.115
  103    H    ILE  12           H        ILE  12   0.747   0.532  -6.089
  104    HA   ILE  12           HA       ILE  12  -0.635  -0.468  -8.345
  105    HB   ILE  12           HB       ILE  12  -1.507   1.387  -6.118
  106   HG12  ILE  12          1HG1      ILE  12  -2.144  -1.534  -6.619
  107   HG13  ILE  12          2HG1      ILE  12  -0.810  -0.999  -5.597
  108   HG21  ILE  12          1HG2      ILE  12  -3.063   0.095  -8.371
  109   HG22  ILE  12          2HG2      ILE  12  -3.028   1.798  -7.916
  110   HG23  ILE  12          3HG2      ILE  12  -3.832   0.625  -6.875
  111   HD11  ILE  12          3HD1      ILE  12  -2.977  -1.503  -4.366
  112   HD12  ILE  12          1HD1      ILE  12  -3.665  -0.092  -5.169
  113   HD13  ILE  12          2HD1      ILE  12  -2.298   0.098  -4.071
  114    H    LEU  13           H        LEU  13   0.250   2.820  -7.349
  115    HA   LEU  13           HA       LEU  13   0.233   4.823  -8.484
  116    HB2  LEU  13           1HB      LEU  13   0.669   3.032 -10.888
  117    HB3  LEU  13           2HB      LEU  13   1.082   4.742 -10.759
  118    HG   LEU  13           HG       LEU  13   2.249   2.543  -9.025
  119   HD11  LEU  13          1HD1      LEU  13   3.435   4.089 -11.353
  120   HD12  LEU  13          2HD1      LEU  13   3.009   2.378 -11.359
  121   HD13  LEU  13          3HD1      LEU  13   4.318   2.956 -10.328
  122   HD21  LEU  13          3HD2      LEU  13   3.935   4.514  -8.612
  123   HD22  LEU  13          1HD2      LEU  13   2.403   4.511  -7.743
  124   HD23  LEU  13          2HD2      LEU  13   2.609   5.539  -9.161
  Start of MODEL   21
    1    H1   GLU   1           1H       GLU   1  -6.538 -12.192   7.243
    2    H2   GLU   1           2H       GLU   1  -8.029 -11.415   7.481
    3    H3   GLU   1           3H       GLU   1  -6.607 -10.743   8.122
    4    HA   GLU   1           HA       GLU   1  -5.874 -10.791   5.607
    5    HB2  GLU   1           1HB      GLU   1  -8.090 -11.885   5.032
    6    HB3  GLU   1           2HB      GLU   1  -8.870 -10.362   5.462
    7    HG2  GLU   1           1HG      GLU   1  -7.501  -9.181   3.781
    8    HG3  GLU   1           2HG      GLU   1  -6.717 -10.700   3.357
    9    H    LEU   2           H        LEU   2  -5.054  -9.234   7.360
   10    HA   LEU   2           HA       LEU   2  -6.511  -6.819   7.863
   11    HB2  LEU   2           1HB      LEU   2  -3.531  -7.320   8.050
   12    HB3  LEU   2           2HB      LEU   2  -4.426  -6.017   8.830
   13    HG   LEU   2           HG       LEU   2  -4.866  -8.973   9.352
   14   HD11  LEU   2          1HD1      LEU   2  -3.647  -8.696  11.378
   15   HD12  LEU   2          2HD1      LEU   2  -3.628  -6.939  11.216
   16   HD13  LEU   2          3HD1      LEU   2  -2.654  -7.935  10.135
   17   HD21  LEU   2          3HD2      LEU   2  -6.097  -6.432  10.431
   18   HD22  LEU   2          1HD2      LEU   2  -6.055  -7.895  11.417
   19   HD23  LEU   2          2HD2      LEU   2  -6.905  -7.899   9.874
   20    H    TYR   3           H        TYR   3  -6.081  -4.728   7.013
   21    HA   TYR   3           HA       TYR   3  -5.624  -4.657   4.204
   22    HB2  TYR   3           1HB      TYR   3  -5.869  -2.519   6.323
   23    HB3  TYR   3           2HB      TYR   3  -5.532  -2.118   4.639
   24    HD1  TYR   3           HD1      TYR   3  -7.943  -3.922   6.849
   25    HD2  TYR   3           HD2      TYR   3  -7.272  -2.066   3.036
   26    HE1  TYR   3           HE1      TYR   3 -10.356  -4.133   6.325
   27    HE2  TYR   3           HE2      TYR   3  -9.687  -2.270   2.511
   28    HH   TYR   3           HH       TYR   3 -11.694  -2.807   3.300
   29    H    GLU   4           H        GLU   4  -3.830  -4.185   3.042
   30    HA   GLU   4           HA       GLU   4  -1.276  -4.521   4.241
   31    HB2  GLU   4           1HB      GLU   4  -2.069  -3.540   1.486
   32    HB3  GLU   4           2HB      GLU   4  -0.412  -3.888   1.974
   33    HG2  GLU   4           1HG      GLU   4  -1.060  -5.908   0.980
   34    HG3  GLU   4           2HG      GLU   4  -1.373  -6.226   2.682
   35    H    ASN   5           H        ASN   5   0.349  -3.050   4.677
   36    HA   ASN   5           HA       ASN   5  -0.550  -0.307   5.154
   37    HB2  ASN   5           1HB      ASN   5   0.744  -1.629   6.866
   38    HB3  ASN   5           2HB      ASN   5   2.142  -1.526   5.797
   39   HD21  ASN   5          2HD2      ASN   5   3.243  -0.192   7.482
   40   HD22  ASN   5          1HD2      ASN   5   2.832   1.446   7.651
   41    H    LYS   6           H        LYS   6  -0.509   0.927   3.364
   42    HA   LYS   6           HA       LYS   6   1.393   0.615   1.261
   43    HB2  LYS   6           1HB      LYS   6  -0.506   2.873   1.914
   44    HB3  LYS   6           2HB      LYS   6   0.424   2.755   0.419
   45    HG2  LYS   6           1HG      LYS   6  -0.692   0.700  -0.196
   46    HG3  LYS   6           2HG      LYS   6  -1.484   0.599   1.377
   47    HD2  LYS   6           1HD      LYS   6  -2.564   2.849   0.828
   48    HD3  LYS   6           2HD      LYS   6  -1.988   2.617  -0.821
   49    HE2  LYS   6           1HE      LYS   6  -4.217   1.761  -0.779
   50    HE3  LYS   6           2HE      LYS   6  -3.162   0.347  -0.765
   51    HZ1  LYS   6           3HZ      LYS   6  -5.074   1.123   1.139
   52    HZ2  LYS   6           1HZ      LYS   6  -3.548   1.159   1.877
   53    HZ3  LYS   6           2HZ      LYS   6  -4.098  -0.267   1.131
   54    HA   PRO   7           HA       PRO   7   4.445   3.425   2.999
   55    HB2  PRO   7           1HB      PRO   7   6.117   3.689   0.955
   56    HB3  PRO   7           2HB      PRO   7   5.779   2.052   1.554
   57    HG2  PRO   7           1HG      PRO   7   4.516   3.489  -0.755
   58    HG3  PRO   7           2HG      PRO   7   5.267   1.874  -0.728
   59    HD2  PRO   7           1HD      PRO   7   2.554   2.252  -0.437
   60    HD3  PRO   7           2HD      PRO   7   3.431   0.889   0.304
   61    H    ARG   8           H        ARG   8   5.523   5.204   0.583
   62    HA   ARG   8           HA       ARG   8   3.641   7.373   1.040
   63    HB2  ARG   8           1HB      ARG   8   6.092   7.823   1.043
   64    HB3  ARG   8           2HB      ARG   8   6.169   7.309  -0.639
   65    HG2  ARG   8           1HG      ARG   8   4.543   9.104  -1.230
   66    HG3  ARG   8           2HG      ARG   8   4.570   9.646   0.448
   67    HD2  ARG   8           1HD      ARG   8   7.022   9.461  -1.321
   68    HD3  ARG   8           2HD      ARG   8   6.116  10.943  -1.035
   69    HE   ARG   8           HE       ARG   8   6.790   9.863   1.466
   70   HH11  ARG   8          1HH2      ARG   8   8.282  11.180  -1.362
   71   HH12  ARG   8          2HH2      ARG   8   9.655  11.813  -0.518
   72   HH21  ARG   8          1HH1      ARG   8   8.590  10.696   2.589
   73   HH22  ARG   8          2HH1      ARG   8   9.832  11.530   1.717
   74    H    ARG   9           H        ARG   9   5.264   6.510  -1.957
   75    HA   ARG   9           HA       ARG   9   2.695   6.647  -3.382
   76    HB2  ARG   9           1HB      ARG   9   4.396   6.462  -5.395
   77    HB3  ARG   9           2HB      ARG   9   4.201   7.998  -4.548
   78    HG2  ARG   9           1HG      ARG   9   6.172   7.636  -3.233
   79    HG3  ARG   9           2HG      ARG   9   6.292   5.957  -3.757
   80    HD2  ARG   9           1HD      ARG   9   6.554   6.879  -6.137
   81    HD3  ARG   9           2HD      ARG   9   6.793   8.452  -5.382
   82    HE   ARG   9           HE       ARG   9   8.893   7.740  -4.673
   83   HH11  ARG   9          1HH2      ARG   9   6.955   5.093  -5.776
   84   HH12  ARG   9          2HH2      ARG   9   8.245   3.940  -5.709
   85   HH21  ARG   9          1HH1      ARG   9  10.593   6.225  -4.582
   86   HH22  ARG   9          2HH1      ARG   9  10.295   4.576  -5.025
   87    HA   PRO  10           HA       PRO  10   3.255   2.172  -3.098
   88    HB2  PRO  10           1HB      PRO  10   0.828   1.355  -4.026
   89    HB3  PRO  10           2HB      PRO  10   1.048   2.032  -2.398
   90    HG2  PRO  10           1HG      PRO  10   0.027   3.361  -4.870
   91    HG3  PRO  10           2HG      PRO  10  -0.562   3.484  -3.202
   92    HD2  PRO  10           1HD      PRO  10   1.063   5.376  -4.373
   93    HD3  PRO  10           2HD      PRO  10   1.024   5.079  -2.619
   94    H    TYR  11           H        TYR  11   3.172   0.299  -4.644
   95    HA   TYR  11           HA       TYR  11   4.574   0.785  -6.980
   96    HB2  TYR  11           1HB      TYR  11   4.445  -1.439  -5.985
   97    HB3  TYR  11           2HB      TYR  11   2.723  -1.531  -6.355
   98    HD1  TYR  11           HD2      TYR  11   6.099  -1.204  -7.903
   99    HD2  TYR  11           HD1      TYR  11   1.970  -2.226  -8.510
  100    HE1  TYR  11           HE2      TYR  11   6.645  -2.058 -10.163
  101    HE2  TYR  11           HE1      TYR  11   2.520  -3.079 -10.775
  102    HH   TYR  11           HH       TYR  11   5.559  -3.811 -11.775
  103    H    ILE  12           H        ILE  12   1.089   0.578  -6.468
  104    HA   ILE  12           HA       ILE  12   0.445   0.826  -9.272
  105    HB   ILE  12           HB       ILE  12  -1.261   1.127  -6.784
  106   HG12  ILE  12          1HG1      ILE  12  -1.157  -1.142  -8.790
  107   HG13  ILE  12          2HG1      ILE  12  -0.201  -1.144  -7.309
  108   HG21  ILE  12          1HG2      ILE  12  -1.911   1.087  -9.741
  109   HG22  ILE  12          2HG2      ILE  12  -2.365   2.309  -8.554
  110   HG23  ILE  12          3HG2      ILE  12  -3.115   0.712  -8.510
  111   HD11  ILE  12          3HD1      ILE  12  -2.344  -2.355  -7.015
  112   HD12  ILE  12          1HD1      ILE  12  -3.221  -0.886  -7.441
  113   HD13  ILE  12          2HD1      ILE  12  -2.252  -0.939  -5.968
  114    H    LEU  13           H        LEU  13   0.324   2.660 -10.408
  115    HA   LEU  13           HA       LEU  13   0.789   5.202  -9.084
  116    HB2  LEU  13           1HB      LEU  13   1.289   6.064 -11.204
  117    HB3  LEU  13           2HB      LEU  13   1.830   4.392 -11.307
  118    HG   LEU  13           HG       LEU  13  -0.780   5.509 -12.396
  119   HD11  LEU  13          1HD1      LEU  13   0.242   4.715 -14.558
  120   HD12  LEU  13          2HD1      LEU  13   1.740   4.425 -13.676
  121   HD13  LEU  13          3HD1      LEU  13   1.097   6.062 -13.807
  122   HD21  LEU  13          3HD2      LEU  13  -0.998   3.159 -13.332
  123   HD22  LEU  13          1HD2      LEU  13  -1.202   3.268 -11.583
  124   HD23  LEU  13          2HD2      LEU  13   0.318   2.683 -12.262
  Start of MODEL   22
    1    H1   GLU   1           1H       GLU   1  -4.750  -2.581  11.736
    2    H2   GLU   1           2H       GLU   1  -4.433  -3.145  10.164
    3    H3   GLU   1           3H       GLU   1  -3.444  -3.626  11.458
    4    HA   GLU   1           HA       GLU   1  -5.117  -4.954  12.406
    5    HB2  GLU   1           1HB      GLU   1  -6.952  -3.320  12.012
    6    HB3  GLU   1           2HB      GLU   1  -6.963  -3.774  10.307
    7    HG2  GLU   1           1HG      GLU   1  -7.526  -6.084  10.899
    8    HG3  GLU   1           2HG      GLU   1  -7.453  -5.683  12.612
    9    H    LEU   2           H        LEU   2  -6.006  -4.616   8.983
   10    HA   LEU   2           HA       LEU   2  -5.434  -7.389   8.471
   11    HB2  LEU   2           1HB      LEU   2  -6.186  -5.109   6.630
   12    HB3  LEU   2           2HB      LEU   2  -6.043  -6.789   6.120
   13    HG   LEU   2           HG       LEU   2  -7.890  -5.824   8.326
   14   HD11  LEU   2          1HD1      LEU   2  -9.678  -6.322   6.589
   15   HD12  LEU   2          2HD1      LEU   2  -8.384  -6.392   5.395
   16   HD13  LEU   2          3HD1      LEU   2  -8.695  -4.892   6.269
   17   HD21  LEU   2          3HD2      LEU   2  -7.610  -8.098   8.766
   18   HD22  LEU   2          1HD2      LEU   2  -7.290  -8.501   7.080
   19   HD23  LEU   2          2HD2      LEU   2  -8.938  -8.173   7.615
   20    H    TYR   3           H        TYR   3  -3.798  -8.269   7.240
   21    HA   TYR   3           HA       TYR   3  -1.259  -7.062   7.391
   22    HB2  TYR   3           1HB      TYR   3  -2.269  -9.376   5.729
   23    HB3  TYR   3           2HB      TYR   3  -0.570  -8.914   5.832
   24    HD1  TYR   3           HD2      TYR   3  -3.450 -10.298   7.662
   25    HD2  TYR   3           HD1      TYR   3   0.701  -9.220   7.896
   26    HE1  TYR   3           HE2      TYR   3  -3.243 -11.565   9.783
   27    HE2  TYR   3           HE1      TYR   3   0.911 -10.487  10.019
   28    HH   TYR   3           HH       TYR   3  -1.428 -11.287  11.919
   29    H    GLU   4           H        GLU   4  -3.547  -7.372   4.692
   30    HA   GLU   4           HA       GLU   4  -1.864  -6.190   2.737
   31    HB2  GLU   4           1HB      GLU   4  -4.872  -6.461   2.900
   32    HB3  GLU   4           2HB      GLU   4  -4.018  -5.851   1.483
   33    HG2  GLU   4           1HG      GLU   4  -2.771  -7.946   1.294
   34    HG3  GLU   4           2HG      GLU   4  -3.537  -8.559   2.757
   35    H    ASN   5           H        ASN   5  -1.195  -4.164   2.615
   36    HA   ASN   5           HA       ASN   5  -2.981  -1.940   3.131
   37    HB2  ASN   5           1HB      ASN   5  -0.527  -2.379   4.851
   38    HB3  ASN   5           2HB      ASN   5  -1.463  -0.884   4.796
   39   HD21  ASN   5          2HD2      ASN   5  -4.068  -1.625   4.920
   40   HD22  ASN   5          1HD2      ASN   5  -4.383  -2.583   6.286
   41    H    LYS   6           H        LYS   6  -2.092   0.086   2.407
   42    HA   LYS   6           HA       LYS   6  -0.453  -0.174   0.101
   43    HB2  LYS   6           1HB      LYS   6  -1.800   2.042   1.561
   44    HB3  LYS   6           2HB      LYS   6  -0.406   2.525   0.598
   45    HG2  LYS   6           1HG      LYS   6  -2.363   2.714  -0.807
   46    HG3  LYS   6           2HG      LYS   6  -1.444   1.323  -1.369
   47    HD2  LYS   6           1HD      LYS   6  -3.587   0.409  -1.294
   48    HD3  LYS   6           2HD      LYS   6  -3.014  -0.003   0.319
   49    HE2  LYS   6           1HE      LYS   6  -5.120   0.942   0.748
   50    HE3  LYS   6           2HE      LYS   6  -4.038   2.309   1.005
   51    HZ1  LYS   6           3HZ      LYS   6  -4.753   2.089  -1.730
   52    HZ2  LYS   6           1HZ      LYS   6  -4.972   3.392  -0.668
   53    HZ3  LYS   6           2HZ      LYS   6  -6.146   2.168  -0.761
   54    HA   PRO   7           HA       PRO   7   3.497   0.563   2.064
   55    HB2  PRO   7           1HB      PRO   7   5.028   1.127  -0.016
   56    HB3  PRO   7           2HB      PRO   7   4.075  -0.370  -0.078
   57    HG2  PRO   7           1HG      PRO   7   3.410   2.311  -1.245
   58    HG3  PRO   7           2HG      PRO   7   3.443   0.726  -2.057
   59    HD2  PRO   7           1HD      PRO   7   1.135   1.831  -1.020
   60    HD3  PRO   7           2HD      PRO   7   1.404   0.074  -1.154
   61    H    ARG   8           H        ARG   8   5.175   2.691   0.551
   62    HA   ARG   8           HA       ARG   8   4.243   4.973   2.094
   63    HB2  ARG   8           1HB      ARG   8   6.688   4.452   1.946
   64    HB3  ARG   8           2HB      ARG   8   6.614   4.763   0.213
   65    HG2  ARG   8           1HG      ARG   8   5.835   7.065   0.659
   66    HG3  ARG   8           2HG      ARG   8   5.924   6.756   2.391
   67    HD2  ARG   8           1HD      ARG   8   8.363   6.232   2.108
   68    HD3  ARG   8           2HD      ARG   8   8.227   6.736   0.426
   69    HE   ARG   8           HE       ARG   8   7.222   8.811   2.027
   70   HH11  ARG   8          1HH2      ARG   8  10.177   7.130   1.380
   71   HH12  ARG   8          2HH2      ARG   8  11.189   8.489   1.735
   72   HH21  ARG   8          1HH1      ARG   8   8.543  10.601   2.484
   73   HH22  ARG   8          2HH1      ARG   8  10.264  10.454   2.364
   74    H    ARG   9           H        ARG   9   5.422   4.703  -1.219
   75    HA   ARG   9           HA       ARG   9   3.310   6.532  -2.161
   76    HB2  ARG   9           1HB      ARG   9   5.797   5.514  -3.562
   77    HB3  ARG   9           2HB      ARG   9   4.680   6.730  -4.182
   78    HG2  ARG   9           1HG      ARG   9   5.216   8.211  -2.299
   79    HG3  ARG   9           2HG      ARG   9   6.289   6.984  -1.625
   80    HD2  ARG   9           1HD      ARG   9   7.602   7.075  -3.781
   81    HD3  ARG   9           2HD      ARG   9   6.622   8.464  -4.245
   82    HE   ARG   9           HE       ARG   9   8.762   8.439  -2.307
   83   HH11  ARG   9          1HH2      ARG   9   5.802   9.923  -3.315
   84   HH12  ARG   9          2HH2      ARG   9   6.150  11.446  -2.569
   85   HH21  ARG   9          1HH1      ARG   9   9.225  10.435  -1.325
   86   HH22  ARG   9          2HH1      ARG   9   8.091  11.738  -1.447
   87    HA   PRO  10           HA       PRO  10   1.532   2.467  -3.300
   88    HB2  PRO  10           1HB      PRO  10  -0.611   4.169  -4.514
   89    HB3  PRO  10           2HB      PRO  10  -0.758   2.805  -3.388
   90    HG2  PRO  10           1HG      PRO  10  -1.119   5.340  -2.594
   91    HG3  PRO  10           2HG      PRO  10  -0.382   4.122  -1.537
   92    HD2  PRO  10           1HD      PRO  10   0.936   6.355  -3.041
   93    HD3  PRO  10           2HD      PRO  10   1.340   5.656  -1.460
   94    H    TYR  11           H        TYR  11   1.443   1.324  -5.255
   95    HA   TYR  11           HA       TYR  11   3.085   1.986  -7.336
   96    HB2  TYR  11           1HB      TYR  11   0.540   0.359  -7.512
   97    HB3  TYR  11           2HB      TYR  11   1.851   0.333  -8.690
   98    HD1  TYR  11           HD2      TYR  11   4.120  -0.493  -8.022
   99    HD2  TYR  11           HD1      TYR  11   0.712  -0.809  -5.427
  100    HE1  TYR  11           HE2      TYR  11   5.321  -2.173  -6.647
  101    HE2  TYR  11           HE1      TYR  11   1.912  -2.488  -4.052
  102    HH   TYR  11           HH       TYR  11   5.099  -3.708  -5.013
  103    H    ILE  12           H        ILE  12   3.076   3.801  -8.483
  104    HA   ILE  12           HA       ILE  12   0.507   4.912  -9.444
  105    HB   ILE  12           HB       ILE  12   1.992   6.410  -8.107
  106   HG12  ILE  12          1HG1      ILE  12   2.005   8.286  -9.768
  107   HG13  ILE  12          2HG1      ILE  12   1.630   7.126 -11.038
  108   HG21  ILE  12          1HG2      ILE  12   4.149   7.013  -8.821
  109   HG22  ILE  12          2HG2      ILE  12   3.886   6.413 -10.456
  110   HG23  ILE  12          3HG2      ILE  12   4.108   5.278  -9.123
  111   HD11  ILE  12          3HD1      ILE  12  -0.298   8.484  -9.812
  112   HD12  ILE  12          1HD1      ILE  12  -0.146   7.196  -8.617
  113   HD13  ILE  12          2HD1      ILE  12  -0.543   6.807 -10.292
  114    H    LEU  13           H        LEU  13  -0.014   4.509 -11.478
  115    HA   LEU  13           HA       LEU  13   2.071   4.393 -13.554
  116    HB2  LEU  13           1HB      LEU  13   0.036   2.221 -13.003
  117    HB3  LEU  13           2HB      LEU  13   0.929   2.354 -14.514
  118    HG   LEU  13           HG       LEU  13   2.226   2.101 -11.782
  119   HD11  LEU  13          1HD1      LEU  13   1.632   0.025 -13.904
  120   HD12  LEU  13          2HD1      LEU  13   1.011   0.066 -12.254
  121   HD13  LEU  13          3HD1      LEU  13   2.724  -0.239 -12.545
  122   HD21  LEU  13          3HD2      LEU  13   4.145   1.310 -13.438
  123   HD22  LEU  13          1HD2      LEU  13   3.882   3.028 -13.156
  124   HD23  LEU  13          2HD2      LEU  13   3.250   2.268 -14.615
  Start of MODEL   23
    1    H1   GLU   1           1H       GLU   1  -8.433  -7.600   7.409
    2    H2   GLU   1           2H       GLU   1  -9.404  -6.705   8.479
    3    H3   GLU   1           3H       GLU   1  -8.456  -7.990   9.060
    4    HA   GLU   1           HA       GLU   1  -7.404  -5.483   7.872
    5    HB2  GLU   1           1HB      GLU   1  -6.720  -4.935  10.163
    6    HB3  GLU   1           2HB      GLU   1  -8.466  -5.172  10.095
    7    HG2  GLU   1           1HG      GLU   1  -8.147  -7.516  10.879
    8    HG3  GLU   1           2HG      GLU   1  -6.420  -7.206  11.036
    9    H    LEU   2           H        LEU   2  -6.991  -8.590   7.668
   10    HA   LEU   2           HA       LEU   2  -4.441  -9.176   8.734
   11    HB2  LEU   2           1HB      LEU   2  -5.699 -10.344   6.243
   12    HB3  LEU   2           2HB      LEU   2  -4.445 -11.079   7.240
   13    HG   LEU   2           HG       LEU   2  -7.252 -10.411   8.178
   14   HD11  LEU   2          1HD1      LEU   2  -7.451 -12.930   8.264
   15   HD12  LEU   2          2HD1      LEU   2  -5.929 -13.018   7.378
   16   HD13  LEU   2          3HD1      LEU   2  -7.340 -12.265   6.634
   17   HD21  LEU   2          3HD2      LEU   2  -4.808 -11.577   9.517
   18   HD22  LEU   2          1HD2      LEU   2  -6.422 -12.020  10.078
   19   HD23  LEU   2          2HD2      LEU   2  -5.911 -10.335  10.113
   20    H    TYR   3           H        TYR   3  -5.459  -7.831   5.620
   21    HA   TYR   3           HA       TYR   3  -2.860  -7.843   4.450
   22    HB2  TYR   3           1HB      TYR   3  -5.359  -6.273   3.798
   23    HB3  TYR   3           2HB      TYR   3  -3.893  -6.240   2.817
   24    HD1  TYR   3           HD1      TYR   3  -6.685  -8.350   4.017
   25    HD2  TYR   3           HD2      TYR   3  -3.225  -8.143   1.478
   26    HE1  TYR   3           HE1      TYR   3  -7.378 -10.454   2.898
   27    HE2  TYR   3           HE2      TYR   3  -3.919 -10.246   0.360
   28    HH   TYR   3           HH       TYR   3  -6.272 -12.302   1.617
   29    H    GLU   4           H        GLU   4  -1.292  -6.326   4.396
   30    HA   GLU   4           HA       GLU   4  -1.285  -4.314   6.458
   31    HB2  GLU   4           1HB      GLU   4   0.997  -3.870   5.711
   32    HB3  GLU   4           2HB      GLU   4   0.739  -5.607   5.866
   33    HG2  GLU   4           1HG      GLU   4   0.253  -5.701   3.409
   34    HG3  GLU   4           2HG      GLU   4   0.685  -3.996   3.298
   35    H    ASN   5           H        ASN   5  -0.855  -2.046   6.077
   36    HA   ASN   5           HA       ASN   5  -2.508  -0.998   3.932
   37    HB2  ASN   5           1HB      ASN   5  -2.158   1.164   5.016
   38    HB3  ASN   5           2HB      ASN   5  -2.627  -0.050   6.206
   39   HD21  ASN   5          2HD2      ASN   5  -1.485   1.644   7.686
   40   HD22  ASN   5          1HD2      ASN   5   0.188   1.455   7.902
   41    H    LYS   6           H        LYS   6  -1.731   0.891   2.661
   42    HA   LYS   6           HA       LYS   6   0.563   0.198   1.151
   43    HB2  LYS   6           1HB      LYS   6  -1.319   2.536   1.234
   44    HB3  LYS   6           2HB      LYS   6   0.163   2.681   0.291
   45    HG2  LYS   6           1HG      LYS   6  -1.683   1.863  -1.118
   46    HG3  LYS   6           2HG      LYS   6  -0.446   0.617  -0.949
   47    HD2  LYS   6           1HD      LYS   6  -1.745  -0.561   0.700
   48    HD3  LYS   6           2HD      LYS   6  -2.902   0.766   0.816
   49    HE2  LYS   6           1HE      LYS   6  -2.398  -0.762  -1.748
   50    HE3  LYS   6           2HE      LYS   6  -3.666  -1.196  -0.601
   51    HZ1  LYS   6           3HZ      LYS   6  -4.003   1.471  -0.930
   52    HZ2  LYS   6           1HZ      LYS   6  -4.906   0.264  -1.708
   53    HZ3  LYS   6           2HZ      LYS   6  -3.567   0.961  -2.491
   54    HA   PRO   7           HA       PRO   7   3.594   2.540   3.460
   55    HB2  PRO   7           1HB      PRO   7   5.630   2.606   1.765
   56    HB3  PRO   7           2HB      PRO   7   4.958   1.024   2.212
   57    HG2  PRO   7           1HG      PRO   7   4.378   2.670  -0.224
   58    HG3  PRO   7           2HG      PRO   7   4.848   0.957  -0.125
   59    HD2  PRO   7           1HD      PRO   7   2.221   1.782  -0.316
   60    HD3  PRO   7           2HD      PRO   7   2.716   0.268   0.482
   61    H    ARG   8           H        ARG   8   5.149   4.013   0.923
   62    HA   ARG   8           HA       ARG   8   3.861   6.578   1.440
   63    HB2  ARG   8           1HB      ARG   8   5.739   7.283  -0.308
   64    HB3  ARG   8           2HB      ARG   8   6.156   6.957   1.371
   65    HG2  ARG   8           1HG      ARG   8   6.785   4.651   0.785
   66    HG3  ARG   8           2HG      ARG   8   6.341   4.948  -0.895
   67    HD2  ARG   8           1HD      ARG   8   8.756   5.203  -0.633
   68    HD3  ARG   8           2HD      ARG   8   8.031   6.770  -0.988
   69    HE   ARG   8           HE       ARG   8   8.179   6.394   1.821
   70   HH11  ARG   8          1HH2      ARG   8  10.124   6.969  -0.984
   71   HH12  ARG   8          2HH2      ARG   8  11.360   7.819  -0.121
   72   HH21  ARG   8          1HH1      ARG   8   9.799   7.508   2.958
   73   HH22  ARG   8          2HH1      ARG   8  11.178   8.124   2.111
   74    H    ARG   9           H        ARG   9   5.202   6.037  -1.663
   75    HA   ARG   9           HA       ARG   9   2.560   6.325  -2.924
   76    HB2  ARG   9           1HB      ARG   9   5.336   6.492  -4.119
   77    HB3  ARG   9           2HB      ARG   9   3.823   6.882  -4.937
   78    HG2  ARG   9           1HG      ARG   9   3.466   8.809  -3.627
   79    HG3  ARG   9           2HG      ARG   9   4.589   8.284  -2.374
   80    HD2  ARG   9           1HD      ARG   9   5.589   8.788  -5.169
   81    HD3  ARG   9           2HD      ARG   9   5.345  10.137  -4.065
   82    HE   ARG   9           HE       ARG   9   7.447   8.176  -3.936
   83   HH11  ARG   9          1HH2      ARG   9   5.417  10.320  -2.132
   84   HH12  ARG   9          2HH2      ARG   9   6.541  10.514  -0.829
   85   HH21  ARG   9          1HH1      ARG   9   8.928   8.426  -2.229
   86   HH22  ARG   9          2HH1      ARG   9   8.527   9.438  -0.883
   87    HA   PRO  10           HA       PRO  10   3.088   1.778  -3.345
   88    HB2  PRO  10           1HB      PRO  10   0.582   2.083  -4.967
   89    HB3  PRO  10           2HB      PRO  10   0.944   0.947  -3.651
   90    HG2  PRO  10           1HG      PRO  10  -0.649   3.046  -3.263
   91    HG3  PRO  10           2HG      PRO  10   0.476   2.497  -2.009
   92    HD2  PRO  10           1HD      PRO  10   0.701   4.871  -3.832
   93    HD3  PRO  10           2HD      PRO  10   1.205   4.688  -2.139
   94    H    TYR  11           H        TYR  11   1.790   0.787  -5.860
   95    HA   TYR  11           HA       TYR  11   4.020   1.350  -7.668
   96    HB2  TYR  11           1HB      TYR  11   1.754  -0.654  -7.799
   97    HB3  TYR  11           2HB      TYR  11   3.026  -0.504  -9.012
   98    HD1  TYR  11           HD2      TYR  11   5.435  -0.833  -8.329
   99    HD2  TYR  11           HD1      TYR  11   2.149  -1.775  -5.729
  100    HE1  TYR  11           HE2      TYR  11   6.944  -2.210  -6.925
  101    HE2  TYR  11           HE1      TYR  11   3.658  -3.156  -4.324
  102    HH   TYR  11           HH       TYR  11   6.831  -2.947  -4.286
  103    H    ILE  12           H        ILE  12   1.559   3.143  -7.061
  104    HA   ILE  12           HA       ILE  12  -0.133   3.410  -9.210
  105    HB   ILE  12           HB       ILE  12  -0.169   5.851  -8.679
  106   HG12  ILE  12          1HG1      ILE  12   1.973   5.104  -6.663
  107   HG13  ILE  12          2HG1      ILE  12   2.284   5.997  -8.152
  108   HG21  ILE  12          1HG2      ILE  12  -0.122   4.185  -6.155
  109   HG22  ILE  12          2HG2      ILE  12  -1.405   4.042  -7.356
  110   HG23  ILE  12          3HG2      ILE  12  -1.145   5.574  -6.523
  111   HD11  ILE  12          3HD1      ILE  12   2.030   7.675  -6.493
  112   HD12  ILE  12          1HD1      ILE  12   0.647   6.860  -5.764
  113   HD13  ILE  12          2HD1      ILE  12   0.481   7.647  -7.333
  114    H    LEU  13           H        LEU  13  -0.084   4.414 -11.197
  115    HA   LEU  13           HA       LEU  13   2.393   5.634 -12.155
  116    HB2  LEU  13           1HB      LEU  13   2.713   3.234 -12.617
  117    HB3  LEU  13           2HB      LEU  13   1.177   3.190 -13.477
  118    HG   LEU  13           HG       LEU  13   2.066   4.868 -15.096
  119   HD11  LEU  13          1HD1      LEU  13   4.469   4.654 -13.290
  120   HD12  LEU  13          2HD1      LEU  13   3.724   6.094 -13.984
  121   HD13  LEU  13          3HD1      LEU  13   4.687   5.028 -15.000
  122   HD21  LEU  13          3HD2      LEU  13   2.229   2.464 -15.584
  123   HD22  LEU  13          1HD2      LEU  13   3.768   2.384 -14.724
  124   HD23  LEU  13          2HD2      LEU  13   3.638   3.315 -16.217
  Start of MODEL   24
    1    H1   GLU   1           1H       GLU   1  -6.034 -12.145   8.599
    2    H2   GLU   1           2H       GLU   1  -6.822 -10.686   8.967
    3    H3   GLU   1           3H       GLU   1  -5.168 -10.868   9.305
    4    HA   GLU   1           HA       GLU   1  -4.996 -11.314   6.754
    5    HB2  GLU   1           1HB      GLU   1  -7.505 -11.217   6.532
    6    HB3  GLU   1           2HB      GLU   1  -7.429  -9.514   6.975
    7    HG2  GLU   1           1HG      GLU   1  -6.005  -9.038   5.047
    8    HG3  GLU   1           2HG      GLU   1  -5.983 -10.746   4.614
    9    H    LEU   2           H        LEU   2  -3.952  -9.633   5.659
   10    HA   LEU   2           HA       LEU   2  -2.728  -7.703   7.410
   11    HB2  LEU   2           1HB      LEU   2  -2.424  -8.349   4.476
   12    HB3  LEU   2           2HB      LEU   2  -1.517  -7.071   5.267
   13    HG   LEU   2           HG       LEU   2  -0.418  -9.413   5.046
   14   HD11  LEU   2          1HD1      LEU   2   0.433  -7.524   6.454
   15   HD12  LEU   2          2HD1      LEU   2   0.808  -9.120   7.101
   16   HD13  LEU   2          3HD1      LEU   2  -0.497  -8.172   7.806
   17   HD21  LEU   2          3HD2      LEU   2  -2.392 -10.676   5.915
   18   HD22  LEU   2          1HD2      LEU   2  -2.099  -9.961   7.506
   19   HD23  LEU   2          2HD2      LEU   2  -0.897 -11.020   6.778
   20    H    TYR   3           H        TYR   3  -2.950  -5.505   7.395
   21    HA   TYR   3           HA       TYR   3  -5.420  -4.423   6.392
   22    HB2  TYR   3           1HB      TYR   3  -3.040  -3.173   7.774
   23    HB3  TYR   3           2HB      TYR   3  -4.498  -2.280   7.337
   24    HD1  TYR   3           HD1      TYR   3  -3.102  -4.944   9.475
   25    HD2  TYR   3           HD2      TYR   3  -6.604  -2.660   8.502
   26    HE1  TYR   3           HE1      TYR   3  -4.209  -5.768  11.533
   27    HE2  TYR   3           HE2      TYR   3  -7.714  -3.483  10.563
   28    HH   TYR   3           HH       TYR   3  -6.572  -6.101  12.334
   29    H    GLU   4           H        GLU   4  -5.753  -3.116   4.653
   30    HA   GLU   4           HA       GLU   4  -3.806  -3.136   2.552
   31    HB2  GLU   4           1HB      GLU   4  -5.488  -1.812   1.309
   32    HB3  GLU   4           2HB      GLU   4  -6.193  -3.246   2.053
   33    HG2  GLU   4           1HG      GLU   4  -7.015  -1.892   3.931
   34    HG3  GLU   4           2HG      GLU   4  -6.287  -0.450   3.227
   35    H    ASN   5           H        ASN   5  -2.748  -1.891   4.843
   36    HA   ASN   5           HA       ASN   5  -2.816   0.987   4.440
   37    HB2  ASN   5           1HB      ASN   5  -2.614  -0.018   6.702
   38    HB3  ASN   5           2HB      ASN   5  -1.046  -0.679   6.246
   39   HD21  ASN   5          2HD2      ASN   5  -0.097   0.705   7.995
   40   HD22  ASN   5          1HD2      ASN   5   0.149   2.360   7.709
   41    H    LYS   6           H        LYS   6  -1.826   1.707   2.657
   42    HA   LYS   6           HA       LYS   6   0.283   0.439   1.312
   43    HB2  LYS   6           1HB      LYS   6   0.111   3.416   1.084
   44    HB3  LYS   6           2HB      LYS   6   0.151   2.190  -0.184
   45    HG2  LYS   6           1HG      LYS   6  -2.212   1.536   0.601
   46    HG3  LYS   6           2HG      LYS   6  -2.205   3.053   1.497
   47    HD2  LYS   6           1HD      LYS   6  -1.559   4.173  -0.729
   48    HD3  LYS   6           2HD      LYS   6  -2.020   2.650  -1.492
   49    HE2  LYS   6           1HE      LYS   6  -4.025   3.862  -1.579
   50    HE3  LYS   6           2HE      LYS   6  -4.231   2.929  -0.096
   51    HZ1  LYS   6           3HZ      LYS   6  -3.084   5.663  -0.141
   52    HZ2  LYS   6           1HZ      LYS   6  -3.600   4.774   1.208
   53    HZ3  LYS   6           2HZ      LYS   6  -4.740   5.353   0.088
   54    HA   PRO   7           HA       PRO   7   3.742   1.901   3.733
   55    HB2  PRO   7           1HB      PRO   7   5.790   1.384   2.122
   56    HB3  PRO   7           2HB      PRO   7   4.708   0.051   2.575
   57    HG2  PRO   7           1HG      PRO   7   4.697   1.699   0.073
   58    HG3  PRO   7           2HG      PRO   7   4.644  -0.070   0.242
   59    HD2  PRO   7           1HD      PRO   7   2.382   1.494  -0.097
   60    HD3  PRO   7           2HD      PRO   7   2.380  -0.087   0.728
   61    H    ARG   8           H        ARG   8   5.703   2.821   1.191
   62    HA   ARG   8           HA       ARG   8   5.245   5.649   1.709
   63    HB2  ARG   8           1HB      ARG   8   7.572   4.767   1.635
   64    HB3  ARG   8           2HB      ARG   8   7.322   4.312  -0.048
   65    HG2  ARG   8           1HG      ARG   8   6.954   6.637  -0.671
   66    HG3  ARG   8           2HG      ARG   8   7.043   7.139   1.016
   67    HD2  ARG   8           1HD      ARG   8   9.187   7.586   0.000
   68    HD3  ARG   8           2HD      ARG   8   9.379   6.220   1.094
   69    HE   ARG   8           HE       ARG   8   8.784   5.271  -1.511
   70   HH11  ARG   8          1HH2      ARG   8  11.259   6.793   0.366
   71   HH12  ARG   8          2HH2      ARG   8  12.564   6.136  -0.563
   72   HH21  ARG   8          1HH1      ARG   8  10.484   4.411  -2.741
   73   HH22  ARG   8          2HH1      ARG   8  12.123   4.801  -2.341
   74    H    ARG   9           H        ARG   9   6.334   4.665  -1.403
   75    HA   ARG   9           HA       ARG   9   3.923   5.799  -2.635
   76    HB2  ARG   9           1HB      ARG   9   6.207   6.628  -3.319
   77    HB3  ARG   9           2HB      ARG   9   6.529   5.018  -3.959
   78    HG2  ARG   9           1HG      ARG   9   5.738   6.155  -5.852
   79    HG3  ARG   9           2HG      ARG   9   4.286   5.348  -5.270
   80    HD2  ARG   9           1HD      ARG   9   3.329   7.421  -5.336
   81    HD3  ARG   9           2HD      ARG   9   4.244   7.762  -3.872
   82    HE   ARG   9           HE       ARG   9   5.649   9.117  -5.133
   83   HH11  ARG   9          1HH2      ARG   9   3.752   7.048  -7.159
   84   HH12  ARG   9          2HH2      ARG   9   4.220   7.834  -8.631
   85   HH21  ARG   9          1HH1      ARG   9   6.271  10.144  -7.071
   86   HH22  ARG   9          2HH1      ARG   9   5.665   9.559  -8.582
   87    HA   PRO  10           HA       PRO  10   3.132   1.361  -3.194
   88    HB2  PRO  10           1HB      PRO  10   0.516   1.500  -3.987
   89    HB3  PRO  10           2HB      PRO  10   1.024   1.644  -2.290
   90    HG2  PRO  10           1HG      PRO  10   0.255   3.781  -4.221
   91    HG3  PRO  10           2HG      PRO  10  -0.100   3.644  -2.489
   92    HD2  PRO  10           1HD      PRO  10   1.906   5.240  -3.534
   93    HD3  PRO  10           2HD      PRO  10   1.923   4.597  -1.875
   94    H    TYR  11           H        TYR  11   3.187   3.893  -5.411
   95    HA   TYR  11           HA       TYR  11   3.431   4.047  -7.683
   96    HB2  TYR  11           1HB      TYR  11   4.266   1.154  -7.351
   97    HB3  TYR  11           2HB      TYR  11   4.522   2.127  -8.801
   98    HD1  TYR  11           HD2      TYR  11   5.958   4.175  -8.694
   99    HD2  TYR  11           HD1      TYR  11   5.690   1.391  -5.434
  100    HE1  TYR  11           HE2      TYR  11   8.042   5.111  -7.729
  101    HE2  TYR  11           HE1      TYR  11   7.779   2.320  -4.473
  102    HH   TYR  11           HH       TYR  11   9.808   4.489  -6.217
  103    H    ILE  12           H        ILE  12   0.890   3.971  -7.177
  104    HA   ILE  12           HA       ILE  12  -0.591   1.767  -8.180
  105    HB   ILE  12           HB       ILE  12  -1.484   3.596  -6.687
  106   HG12  ILE  12          1HG1      ILE  12  -3.044   3.215  -9.258
  107   HG13  ILE  12          2HG1      ILE  12  -2.908   1.978  -8.010
  108   HG21  ILE  12          1HG2      ILE  12  -0.464   5.455  -8.091
  109   HG22  ILE  12          2HG2      ILE  12  -2.156   5.693  -7.653
  110   HG23  ILE  12          3HG2      ILE  12  -1.734   5.149  -9.276
  111   HD11  ILE  12          3HD1      ILE  12  -4.972   3.238  -7.671
  112   HD12  ILE  12          1HD1      ILE  12  -4.073   4.756  -7.664
  113   HD13  ILE  12          2HD1      ILE  12  -3.850   3.593  -6.357
  114    H    LEU  13           H        LEU  13   0.570   4.767  -9.663
  115    HA   LEU  13           HA       LEU  13  -0.709   4.676 -12.102
  116    HB2  LEU  13           1HB      LEU  13   0.747   6.525 -11.407
  117    HB3  LEU  13           2HB      LEU  13   2.160   5.483 -11.555
  118    HG   LEU  13           HG       LEU  13   1.734   5.217 -13.966
  119   HD11  LEU  13          1HD1      LEU  13  -0.565   5.360 -14.330
  120   HD12  LEU  13          2HD1      LEU  13  -0.052   6.953 -14.878
  121   HD13  LEU  13          3HD1      LEU  13  -0.755   6.758 -13.273
  122   HD21  LEU  13          3HD2      LEU  13   1.809   8.057 -12.917
  123   HD22  LEU  13          1HD2      LEU  13   2.043   7.659 -14.618
  124   HD23  LEU  13          2HD2      LEU  13   3.173   7.052 -13.407
  Start of MODEL   25
    1    H1   GLU   1           1H       GLU   1  -8.338 -11.093   7.940
    2    H2   GLU   1           2H       GLU   1  -8.773 -11.077   6.299
    3    H3   GLU   1           3H       GLU   1  -8.745  -9.629   7.188
    4    HA   GLU   1           HA       GLU   1  -6.265 -11.152   7.088
    5    HB2  GLU   1           1HB      GLU   1  -5.698 -10.220   4.873
    6    HB3  GLU   1           2HB      GLU   1  -7.085 -11.304   4.766
    7    HG2  GLU   1           1HG      GLU   1  -8.608  -9.353   4.848
    8    HG3  GLU   1           2HG      GLU   1  -7.216  -8.276   4.916
    9    H    LEU   2           H        LEU   2  -4.518  -9.755   7.449
   10    HA   LEU   2           HA       LEU   2  -5.155  -7.358   8.892
   11    HB2  LEU   2           1HB      LEU   2  -2.457  -8.381   7.977
   12    HB3  LEU   2           2HB      LEU   2  -2.744  -7.160   9.218
   13    HG   LEU   2           HG       LEU   2  -3.653 -10.053   9.334
   14   HD11  LEU   2          1HD1      LEU   2  -1.224  -9.782   9.625
   15   HD12  LEU   2          2HD1      LEU   2  -1.984 -10.232  11.150
   16   HD13  LEU   2          3HD1      LEU   2  -1.502  -8.558  10.864
   17   HD21  LEU   2          3HD2      LEU   2  -5.254  -8.907  10.611
   18   HD22  LEU   2          1HD2      LEU   2  -4.113  -7.659  11.114
   19   HD23  LEU   2          2HD2      LEU   2  -4.032  -9.272  11.824
   20    H    TYR   3           H        TYR   3  -4.703  -5.228   8.354
   21    HA   TYR   3           HA       TYR   3  -5.035  -4.508   5.636
   22    HB2  TYR   3           1HB      TYR   3  -5.621  -3.155   7.742
   23    HB3  TYR   3           2HB      TYR   3  -3.920  -2.692   7.775
   24    HD1  TYR   3           HD2      TYR   3  -6.865  -2.835   5.461
   25    HD2  TYR   3           HD1      TYR   3  -3.204  -0.847   6.504
   26    HE1  TYR   3           HE2      TYR   3  -7.316  -1.105   3.744
   27    HE2  TYR   3           HE1      TYR   3  -3.657   0.885   4.783
   28    HH   TYR   3           HH       TYR   3  -6.036   1.765   3.645
   29    H    GLU   4           H        GLU   4  -3.597  -4.070   4.060
   30    HA   GLU   4           HA       GLU   4  -0.927  -4.966   4.265
   31    HB2  GLU   4           1HB      GLU   4  -2.287  -4.868   2.160
   32    HB3  GLU   4           2HB      GLU   4  -2.068  -3.119   2.160
   33    HG2  GLU   4           1HG      GLU   4  -0.364  -4.033   0.735
   34    HG3  GLU   4           2HG      GLU   4   0.436  -3.533   2.220
   35    H    ASN   5           H        ASN   5  -2.369  -1.778   4.620
   36    HA   ASN   5           HA       ASN   5  -1.495   0.224   5.334
   37    HB2  ASN   5           1HB      ASN   5  -0.546  -1.253   7.146
   38    HB3  ASN   5           2HB      ASN   5   0.934  -1.355   6.194
   39   HD21  ASN   5          2HD2      ASN   5   0.966  -0.151   8.774
   40   HD22  ASN   5          1HD2      ASN   5   1.251   1.512   8.588
   41    H    LYS   6           H        LYS   6  -1.392   0.760   3.052
   42    HA   LYS   6           HA       LYS   6   0.683   0.379   1.306
   43    HB2  LYS   6           1HB      LYS   6  -0.844   2.954   1.701
   44    HB3  LYS   6           2HB      LYS   6   0.048   2.502   0.254
   45    HG2  LYS   6           1HG      LYS   6  -2.286   0.931   1.401
   46    HG3  LYS   6           2HG      LYS   6  -2.411   2.068   0.059
   47    HD2  LYS   6           1HD      LYS   6  -0.488   0.594  -0.997
   48    HD3  LYS   6           2HD      LYS   6  -1.058  -0.622   0.145
   49    HE2  LYS   6           1HE      LYS   6  -3.418  -0.111  -0.790
   50    HE3  LYS   6           2HE      LYS   6  -2.567   0.666  -2.125
   51    HZ1  LYS   6           3HZ      LYS   6  -1.784  -1.293  -2.891
   52    HZ2  LYS   6           1HZ      LYS   6  -3.157  -1.907  -2.108
   53    HZ3  LYS   6           2HZ      LYS   6  -1.642  -1.982  -1.345
   54    HA   PRO   7           HA       PRO   7   3.930   2.867   3.136
   55    HB2  PRO   7           1HB      PRO   7   5.788   2.776   1.251
   56    HB3  PRO   7           2HB      PRO   7   5.186   1.244   1.921
   57    HG2  PRO   7           1HG      PRO   7   4.382   2.617  -0.618
   58    HG3  PRO   7           2HG      PRO   7   4.830   0.916  -0.363
   59    HD2  PRO   7           1HD      PRO   7   2.201   1.830  -0.401
   60    HD3  PRO   7           2HD      PRO   7   2.736   0.353   0.441
   61    H    ARG   8           H        ARG   8   5.167   4.052   0.269
   62    HA   ARG   8           HA       ARG   8   4.018   6.685   0.730
   63    HB2  ARG   8           1HB      ARG   8   6.460   6.432   0.330
   64    HB3  ARG   8           2HB      ARG   8   6.113   5.815  -1.281
   65    HG2  ARG   8           1HG      ARG   8   4.962   7.936  -1.836
   66    HG3  ARG   8           2HG      ARG   8   5.336   8.551  -0.229
   67    HD2  ARG   8           1HD      ARG   8   6.993   9.399  -1.788
   68    HD3  ARG   8           2HD      ARG   8   7.763   8.229  -0.721
   69    HE   ARG   8           HE       ARG   8   6.843   6.893  -3.035
   70   HH11  ARG   8          1HH2      ARG   8   9.179   9.220  -1.989
   71   HH12  ARG   8          2HH2      ARG   8  10.332   8.822  -3.217
   72   HH21  ARG   8          1HH1      ARG   8   8.354   6.359  -4.649
   73   HH22  ARG   8          2HH1      ARG   8   9.867   7.201  -4.721
   74    H    ARG   9           H        ARG   9   4.860   5.839  -2.500
   75    HA   ARG   9           HA       ARG   9   2.065   6.172  -3.349
   76    HB2  ARG   9           1HB      ARG   9   4.737   6.407  -4.716
   77    HB3  ARG   9           2HB      ARG   9   3.276   6.159  -5.673
   78    HG2  ARG   9           1HG      ARG   9   2.282   8.176  -4.847
   79    HG3  ARG   9           2HG      ARG   9   3.517   8.355  -3.604
   80    HD2  ARG   9           1HD      ARG   9   4.247   8.323  -6.530
   81    HD3  ARG   9           2HD      ARG   9   3.727   9.806  -5.737
   82    HE   ARG   9           HE       ARG   9   5.799   8.533  -4.243
   83   HH11  ARG   9          1HH2      ARG   9   5.125  10.366  -7.094
   84   HH12  ARG   9          2HH2      ARG   9   6.691  11.102  -7.166
   85   HH21  ARG   9          1HH1      ARG   9   7.861   9.494  -4.321
   86   HH22  ARG   9          2HH1      ARG   9   8.238  10.616  -5.587
   87    HA   PRO  10           HA       PRO  10   2.168   1.612  -3.336
   88    HB2  PRO  10           1HB      PRO  10  -0.378   1.949  -4.879
   89    HB3  PRO  10           2HB      PRO  10  -0.053   0.964  -3.442
   90    HG2  PRO  10           1HG      PRO  10  -1.423   3.286  -3.335
   91    HG3  PRO  10           2HG      PRO  10  -0.415   2.705  -2.004
   92    HD2  PRO  10           1HD      PRO  10   0.103   4.934  -3.910
   93    HD3  PRO  10           2HD      PRO  10   0.708   4.692  -2.256
   94    H    TYR  11           H        TYR  11   1.207   0.068  -5.362
   95    HA   TYR  11           HA       TYR  11   3.183   0.044  -7.297
   96    HB2  TYR  11           1HB      TYR  11   1.639  -1.839  -6.848
   97    HB3  TYR  11           2HB      TYR  11   0.335  -0.935  -7.619
   98    HD1  TYR  11           HD1      TYR  11   3.694  -2.439  -8.207
   99    HD2  TYR  11           HD2      TYR  11   0.121  -0.853  -9.987
  100    HE1  TYR  11           HE1      TYR  11   4.447  -3.237 -10.430
  101    HE2  TYR  11           HE2      TYR  11   0.874  -1.653 -12.209
  102    HH   TYR  11           HH       TYR  11   3.941  -2.470 -12.921
  103    H    ILE  12           H        ILE  12   0.564   2.218  -7.019
  104    HA   ILE  12           HA       ILE  12   0.221   2.812  -9.792
  105    HB   ILE  12           HB       ILE  12  -0.929   4.854  -8.985
  106   HG12  ILE  12          1HG1      ILE  12  -0.204   3.850  -6.216
  107   HG13  ILE  12          2HG1      ILE  12   0.583   5.217  -7.001
  108   HG21  ILE  12          1HG2      ILE  12  -2.702   3.645  -7.707
  109   HG22  ILE  12          2HG2      ILE  12  -1.605   2.272  -7.550
  110   HG23  ILE  12          3HG2      ILE  12  -2.174   2.768  -9.142
  111   HD11  ILE  12          3HD1      ILE  12  -1.617   6.345  -7.208
  112   HD12  ILE  12          1HD1      ILE  12  -1.196   6.021  -5.527
  113   HD13  ILE  12          2HD1      ILE  12  -2.370   4.997  -6.354
  114    H    LEU  13           H        LEU  13   1.217   4.268 -11.079
  115    HA   LEU  13           HA       LEU  13   3.350   5.970  -9.935
  116    HB2  LEU  13           1HB      LEU  13   3.604   4.168 -12.359
  117    HB3  LEU  13           2HB      LEU  13   4.808   5.343 -11.839
  118    HG   LEU  13           HG       LEU  13   3.826   3.057 -10.102
  119   HD11  LEU  13          1HD1      LEU  13   5.043   2.333 -12.199
  120   HD12  LEU  13          2HD1      LEU  13   5.845   1.875 -10.697
  121   HD13  LEU  13          3HD1      LEU  13   6.436   3.251 -11.629
  122   HD21  LEU  13          3HD2      LEU  13   5.977   5.167  -9.841
  123   HD22  LEU  13          1HD2      LEU  13   6.123   3.632  -8.987
  124   HD23  LEU  13          2HD2      LEU  13   4.757   4.691  -8.663
  Start of MODEL   26
    1    H1   GLU   1           1H       GLU   1  -8.452 -11.965   7.383
    2    H2   GLU   1           2H       GLU   1  -7.891 -11.574   8.937
    3    H3   GLU   1           3H       GLU   1  -7.493 -13.071   8.240
    4    HA   GLU   1           HA       GLU   1  -5.560 -11.846   7.963
    5    HB2  GLU   1           1HB      GLU   1  -6.383 -12.898   5.860
    6    HB3  GLU   1           2HB      GLU   1  -7.196 -11.386   5.449
    7    HG2  GLU   1           1HG      GLU   1  -5.044 -10.204   5.458
    8    HG3  GLU   1           2HG      GLU   1  -4.216 -11.690   5.918
    9    H    LEU   2           H        LEU   2  -4.787  -9.965   8.680
   10    HA   LEU   2           HA       LEU   2  -6.425  -7.596   8.780
   11    HB2  LEU   2           1HB      LEU   2  -3.501  -8.013   9.453
   12    HB3  LEU   2           2HB      LEU   2  -4.436  -6.567   9.830
   13    HG   LEU   2           HG       LEU   2  -5.110  -9.357  10.813
   14   HD11  LEU   2          1HD1      LEU   2  -3.905  -7.027  12.334
   15   HD12  LEU   2          2HD1      LEU   2  -2.984  -8.412  11.747
   16   HD13  LEU   2          3HD1      LEU   2  -4.237  -8.640  12.965
   17   HD21  LEU   2          3HD2      LEU   2  -6.472  -7.803  12.473
   18   HD22  LEU   2          1HD2      LEU   2  -7.140  -8.192  10.891
   19   HD23  LEU   2          2HD2      LEU   2  -6.359  -6.634  11.157
   20    H    TYR   3           H        TYR   3  -6.219  -5.721   7.609
   21    HA   TYR   3           HA       TYR   3  -4.999  -5.973   4.995
   22    HB2  TYR   3           1HB      TYR   3  -6.506  -3.704   6.317
   23    HB3  TYR   3           2HB      TYR   3  -5.955  -3.697   4.641
   24    HD1  TYR   3           HD2      TYR   3  -6.806  -5.459   3.046
   25    HD2  TYR   3           HD1      TYR   3  -8.467  -4.895   6.966
   26    HE1  TYR   3           HE2      TYR   3  -8.828  -6.727   2.372
   27    HE2  TYR   3           HE1      TYR   3 -10.490  -6.162   6.292
   28    HH   TYR   3           HH       TYR   3 -10.692  -7.758   3.142
   29    H    GLU   4           H        GLU   4  -3.175  -5.001   4.265
   30    HA   GLU   4           HA       GLU   4  -1.421  -3.751   6.259
   31    HB2  GLU   4           1HB      GLU   4  -0.919  -4.672   3.416
   32    HB3  GLU   4           2HB      GLU   4   0.306  -3.982   4.482
   33    HG2  GLU   4           1HG      GLU   4  -1.315  -6.464   5.117
   34    HG3  GLU   4           2HG      GLU   4   0.324  -6.482   4.471
   35    H    ASN   5           H        ASN   5  -0.862  -1.647   6.256
   36    HA   ASN   5           HA       ASN   5  -2.359   0.177   4.603
   37    HB2  ASN   5           1HB      ASN   5  -0.212   0.579   6.691
   38    HB3  ASN   5           2HB      ASN   5  -0.990   1.908   5.835
   39   HD21  ASN   5          2HD2      ASN   5  -1.259   1.595   8.674
   40   HD22  ASN   5          1HD2      ASN   5  -2.878   1.211   9.012
   41    H    LYS   6           H        LYS   6  -1.620   1.483   2.965
   42    HA   LYS   6           HA       LYS   6   0.310   0.563   1.219
   43    HB2  LYS   6           1HB      LYS   6   0.065   3.524   1.223
   44    HB3  LYS   6           2HB      LYS   6  -0.292   2.368  -0.063
   45    HG2  LYS   6           1HG      LYS   6  -2.383   1.737   1.261
   46    HG3  LYS   6           2HG      LYS   6  -2.068   3.162   2.249
   47    HD2  LYS   6           1HD      LYS   6  -2.367   3.201  -0.770
   48    HD3  LYS   6           2HD      LYS   6  -3.652   3.613   0.363
   49    HE2  LYS   6           1HE      LYS   6  -1.983   5.321   1.350
   50    HE3  LYS   6           2HE      LYS   6  -1.055   5.071  -0.128
   51    HZ1  LYS   6           3HZ      LYS   6  -3.567   6.442   0.263
   52    HZ2  LYS   6           1HZ      LYS   6  -3.531   5.418  -1.087
   53    HZ3  LYS   6           2HZ      LYS   6  -2.382   6.660  -0.935
   54    HA   PRO   7           HA       PRO   7   4.094   2.117   3.028
   55    HB2  PRO   7           1HB      PRO   7   5.764   2.092   0.985
   56    HB3  PRO   7           2HB      PRO   7   4.840   0.612   1.310
   57    HG2  PRO   7           1HG      PRO   7   4.262   2.778  -0.675
   58    HG3  PRO   7           2HG      PRO   7   4.317   1.018  -0.935
   59    HD2  PRO   7           1HD      PRO   7   1.979   2.437  -0.416
   60    HD3  PRO   7           2HD      PRO   7   2.184   0.701  -0.078
   61    H    ARG   8           H        ARG   8   5.756   3.763   0.882
   62    HA   ARG   8           HA       ARG   8   4.755   6.350   1.751
   63    HB2  ARG   8           1HB      ARG   8   7.169   6.054   1.794
   64    HB3  ARG   8           2HB      ARG   8   7.176   5.552   0.107
   65    HG2  ARG   8           1HG      ARG   8   7.909   7.897   0.343
   66    HG3  ARG   8           2HG      ARG   8   6.410   7.806  -0.572
   67    HD2  ARG   8           1HD      ARG   8   5.116   8.565   1.268
   68    HD3  ARG   8           2HD      ARG   8   6.421   8.261   2.414
   69    HE   ARG   8           HE       ARG   8   7.531  10.113   0.805
   70   HH11  ARG   8          1HH2      ARG   8   4.430   9.883   2.322
   71   HH12  ARG   8          2HH2      ARG   8   4.214  11.595   2.457
   72   HH21  ARG   8          1HH1      ARG   8   7.257  12.363   0.979
   73   HH22  ARG   8          2HH1      ARG   8   5.816  12.999   1.698
   74    H    ARG   9           H        ARG   9   6.092   5.669  -1.407
   75    HA   ARG   9           HA       ARG   9   3.710   6.842  -2.661
   76    HB2  ARG   9           1HB      ARG   9   5.164   6.855  -4.733
   77    HB3  ARG   9           2HB      ARG   9   5.707   7.899  -3.424
   78    HG2  ARG   9           1HG      ARG   9   7.209   5.922  -2.705
   79    HG3  ARG   9           2HG      ARG   9   6.853   5.236  -4.287
   80    HD2  ARG   9           1HD      ARG   9   7.577   7.549  -5.215
   81    HD3  ARG   9           2HD      ARG   9   8.309   7.788  -3.631
   82    HE   ARG   9           HE       ARG   9   9.325   6.138  -5.725
   83   HH11  ARG   9          1HH2      ARG   9   8.922   6.368  -2.294
   84   HH12  ARG   9          2HH2      ARG   9  10.291   5.373  -1.928
   85   HH21  ARG   9          1HH1      ARG   9  11.123   4.834  -5.251
   86   HH22  ARG   9          2HH1      ARG   9  11.538   4.505  -3.603
   87    HA   PRO  10           HA       PRO  10   2.969   2.421  -3.390
   88    HB2  PRO  10           1HB      PRO  10   0.350   2.552  -4.159
   89    HB3  PRO  10           2HB      PRO  10   0.859   2.662  -2.462
   90    HG2  PRO  10           1HG      PRO  10   0.108   4.846  -4.354
   91    HG3  PRO  10           2HG      PRO  10  -0.309   4.648  -2.641
   92    HD2  PRO  10           1HD      PRO  10   1.697   6.307  -3.515
   93    HD3  PRO  10           2HD      PRO  10   1.710   5.537  -1.910
   94    H    TYR  11           H        TYR  11   2.689   1.090  -5.271
   95    HA   TYR  11           HA       TYR  11   3.755   2.122  -7.649
   96    HB2  TYR  11           1HB      TYR  11   2.117  -0.387  -7.211
   97    HB3  TYR  11           2HB      TYR  11   3.068  -0.037  -8.655
   98    HD1  TYR  11           HD2      TYR  11   3.217  -0.805  -5.049
   99    HD2  TYR  11           HD1      TYR  11   5.497  -0.119  -8.623
  100    HE1  TYR  11           HE2      TYR  11   5.244  -1.685  -3.924
  101    HE2  TYR  11           HE1      TYR  11   7.525  -1.000  -7.499
  102    HH   TYR  11           HH       TYR  11   8.404  -1.424  -5.364
  103    H    ILE  12           H        ILE  12   2.835   3.551  -8.960
  104    HA   ILE  12           HA       ILE  12   0.084   3.107  -9.889
  105    HB   ILE  12           HB       ILE  12  -0.051   4.703  -7.971
  106   HG12  ILE  12          1HG1      ILE  12  -0.569   6.067 -10.627
  107   HG13  ILE  12          2HG1      ILE  12  -1.579   4.760 -10.007
  108   HG21  ILE  12          1HG2      ILE  12   1.472   6.611  -9.754
  109   HG22  ILE  12          2HG2      ILE  12   2.268   5.671  -8.494
  110   HG23  ILE  12          3HG2      ILE  12   1.011   6.833  -8.066
  111   HD11  ILE  12          3HD1      ILE  12  -1.074   7.445  -8.695
  112   HD12  ILE  12          1HD1      ILE  12  -1.926   6.113  -7.914
  113   HD13  ILE  12          2HD1      ILE  12  -2.597   6.862  -9.364
  114    H    LEU  13           H        LEU  13  -0.174   3.598 -12.012
  115    HA   LEU  13           HA       LEU  13   1.596   5.437 -13.369
  116    HB2  LEU  13           1HB      LEU  13   2.658   3.906 -14.845
  117    HB3  LEU  13           2HB      LEU  13   2.892   3.260 -13.223
  118    HG   LEU  13           HG       LEU  13   0.865   2.334 -15.282
  119   HD11  LEU  13          1HD1      LEU  13   3.259   1.569 -15.477
  120   HD12  LEU  13          2HD1      LEU  13   2.104   0.262 -15.219
  121   HD13  LEU  13          3HD1      LEU  13   3.096   0.840 -13.880
  122   HD21  LEU  13          3HD2      LEU  13   0.411   0.568 -13.443
  123   HD22  LEU  13          1HD2      LEU  13  -0.296   2.166 -13.214
  124   HD23  LEU  13          2HD2      LEU  13   1.166   1.714 -12.336
  Start of MODEL   27
    1    H1   GLU   1           1H       GLU   1  -8.231  -9.980   8.513
    2    H2   GLU   1           2H       GLU   1  -9.713  -9.209   8.205
    3    H3   GLU   1           3H       GLU   1  -8.291  -8.291   8.370
    4    HA   GLU   1           HA       GLU   1  -8.701 -10.299   6.231
    5    HB2  GLU   1           1HB      GLU   1  -9.137  -8.361   4.754
    6    HB3  GLU   1           2HB      GLU   1 -10.356  -8.484   6.022
    7    HG2  GLU   1           1HG      GLU   1  -9.090  -6.814   7.364
    8    HG3  GLU   1           2HG      GLU   1  -7.944  -6.646   6.034
    9    H    LEU   2           H        LEU   2  -7.381  -8.428   4.414
   10    HA   LEU   2           HA       LEU   2  -4.667  -9.147   4.969
   11    HB2  LEU   2           1HB      LEU   2  -5.766  -7.255   2.877
   12    HB3  LEU   2           2HB      LEU   2  -4.155  -7.966   2.891
   13    HG   LEU   2           HG       LEU   2  -6.749  -9.535   2.742
   14   HD11  LEU   2          1HD1      LEU   2  -6.095  -9.962   0.409
   15   HD12  LEU   2          2HD1      LEU   2  -4.660  -8.959   0.617
   16   HD13  LEU   2          3HD1      LEU   2  -6.262  -8.227   0.692
   17   HD21  LEU   2          3HD2      LEU   2  -4.971 -11.333   2.000
   18   HD22  LEU   2          1HD2      LEU   2  -5.202 -11.013   3.717
   19   HD23  LEU   2          2HD2      LEU   2  -3.831 -10.302   2.866
   20    H    TYR   3           H        TYR   3  -2.929  -7.834   5.485
   21    HA   TYR   3           HA       TYR   3  -3.552  -5.533   7.117
   22    HB2  TYR   3           1HB      TYR   3  -0.940  -6.844   6.336
   23    HB3  TYR   3           2HB      TYR   3  -1.058  -5.461   7.425
   24    HD1  TYR   3           HD2      TYR   3  -2.045  -9.015   6.953
   25    HD2  TYR   3           HD1      TYR   3  -1.780  -5.713   9.689
   26    HE1  TYR   3           HE2      TYR   3  -2.548 -10.540   8.844
   27    HE2  TYR   3           HE1      TYR   3  -2.281  -7.238  11.579
   28    HH   TYR   3           HH       TYR   3  -1.988 -10.441  11.480
   29    H    GLU   4           H        GLU   4  -3.211  -3.410   6.652
   30    HA   GLU   4           HA       GLU   4  -2.829  -2.695   3.861
   31    HB2  GLU   4           1HB      GLU   4  -3.352  -1.038   6.343
   32    HB3  GLU   4           2HB      GLU   4  -3.236  -0.373   4.718
   33    HG2  GLU   4           1HG      GLU   4  -5.548  -0.682   4.976
   34    HG3  GLU   4           2HG      GLU   4  -5.067  -2.138   4.112
   35    H    ASN   5           H        ASN   5  -1.590  -0.613   6.344
   36    HA   ASN   5           HA       ASN   5   0.480   0.324   6.670
   37    HB2  ASN   5           1HB      ASN   5   0.903  -2.002   7.483
   38    HB3  ASN   5           2HB      ASN   5   1.505  -2.407   5.875
   39   HD21  ASN   5          2HD2      ASN   5   3.298  -2.629   8.014
   40   HD22  ASN   5          1HD2      ASN   5   4.441  -1.378   7.933
   41    H    LYS   6           H        LYS   6  -0.635   0.811   4.128
   42    HA   LYS   6           HA       LYS   6   1.020   0.285   1.940
   43    HB2  LYS   6           1HB      LYS   6  -0.949   2.426   2.648
   44    HB3  LYS   6           2HB      LYS   6   0.113   2.749   1.279
   45    HG2  LYS   6           1HG      LYS   6  -1.987   1.675   0.541
   46    HG3  LYS   6           2HG      LYS   6  -0.601   0.628   0.227
   47    HD2  LYS   6           1HD      LYS   6  -1.111  -0.789   2.055
   48    HD3  LYS   6           2HD      LYS   6  -2.202   0.393   2.774
   49    HE2  LYS   6           1HE      LYS   6  -3.420  -1.475   1.656
   50    HE3  LYS   6           2HE      LYS   6  -3.793   0.098   0.952
   51    HZ1  LYS   6           3HZ      LYS   6  -3.190  -1.891  -0.572
   52    HZ2  LYS   6           1HZ      LYS   6  -1.591  -1.501  -0.160
   53    HZ3  LYS   6           2HZ      LYS   6  -2.577  -0.345  -0.922
   54    HA   PRO   7           HA       PRO   7   4.467   2.988   2.855
   55    HB2  PRO   7           1HB      PRO   7   5.719   3.077   0.530
   56    HB3  PRO   7           2HB      PRO   7   5.343   1.476   1.199
   57    HG2  PRO   7           1HG      PRO   7   3.815   3.054  -0.841
   58    HG3  PRO   7           2HG      PRO   7   4.378   1.366  -0.935
   59    HD2  PRO   7           1HD      PRO   7   1.829   2.081  -0.118
   60    HD3  PRO   7           2HD      PRO   7   2.645   0.583   0.399
   61    H    ARG   8           H        ARG   8   5.316   4.708   0.413
   62    HA   ARG   8           HA       ARG   8   3.620   6.975   1.061
   63    HB2  ARG   8           1HB      ARG   8   6.069   7.291   0.826
   64    HB3  ARG   8           2HB      ARG   8   5.968   6.768  -0.853
   65    HG2  ARG   8           1HG      ARG   8   4.441   8.653  -1.342
   66    HG3  ARG   8           2HG      ARG   8   4.564   9.179   0.338
   67    HD2  ARG   8           1HD      ARG   8   6.954   8.872  -1.494
   68    HD3  ARG   8           2HD      ARG   8   6.110  10.399  -1.246
   69    HE   ARG   8           HE       ARG   8   6.774   9.377   1.279
   70   HH11  ARG   8          1HH2      ARG   8   8.311  10.504  -1.612
   71   HH12  ARG   8          2HH2      ARG   8   9.711  11.113  -0.793
   72   HH21  ARG   8          1HH1      ARG   8   8.607  10.168   2.355
   73   HH22  ARG   8          2HH1      ARG   8   9.884  10.913   1.452
   74    H    ARG   9           H        ARG   9   4.837   6.480  -2.159
   75    HA   ARG   9           HA       ARG   9   2.087   6.464  -3.211
   76    HB2  ARG   9           1HB      ARG   9   3.810   8.155  -4.024
   77    HB3  ARG   9           2HB      ARG   9   4.662   6.797  -4.757
   78    HG2  ARG   9           1HG      ARG   9   2.761   6.260  -6.148
   79    HG3  ARG   9           2HG      ARG   9   1.750   7.434  -5.304
   80    HD2  ARG   9           1HD      ARG   9   2.702   8.191  -7.548
   81    HD3  ARG   9           2HD      ARG   9   2.972   9.276  -6.188
   82    HE   ARG   9           HE       ARG   9   5.145   7.450  -6.473
   83   HH11  ARG   9          1HH2      ARG   9   3.670  10.276  -7.816
   84   HH12  ARG   9          2HH2      ARG   9   5.147  10.909  -8.464
   85   HH21  ARG   9          1HH1      ARG   9   7.088   8.274  -7.316
   86   HH22  ARG   9          2HH1      ARG   9   7.082   9.775  -8.178
   87    HA   PRO  10           HA       PRO  10   3.088   2.006  -3.484
   88    HB2  PRO  10           1HB      PRO  10   0.462   1.908  -4.921
   89    HB3  PRO  10           2HB      PRO  10   1.040   0.926  -3.561
   90    HG2  PRO  10           1HG      PRO  10  -0.774   2.871  -3.230
   91    HG3  PRO  10           2HG      PRO  10   0.440   2.498  -1.995
   92    HD2  PRO  10           1HD      PRO  10   0.341   4.806  -3.901
   93    HD3  PRO  10           2HD      PRO  10   0.980   4.726  -2.245
   94    H    TYR  11           H        TYR  11   3.944   0.771  -5.142
   95    HA   TYR  11           HA       TYR  11   5.019   1.845  -7.388
   96    HB2  TYR  11           1HB      TYR  11   5.512  -0.435  -6.611
   97    HB3  TYR  11           2HB      TYR  11   3.926  -0.971  -7.166
   98    HD1  TYR  11           HD1      TYR  11   7.137   0.541  -8.312
   99    HD2  TYR  11           HD2      TYR  11   3.556  -1.547  -9.439
  100    HE1  TYR  11           HE1      TYR  11   8.054   0.200 -10.589
  101    HE2  TYR  11           HE2      TYR  11   4.473  -1.887 -11.718
  102    HH   TYR  11           HH       TYR  11   6.256  -1.674 -13.028
  103    H    ILE  12           H        ILE  12   1.705   0.821  -6.965
  104    HA   ILE  12           HA       ILE  12   1.020   0.954  -9.759
  105    HB   ILE  12           HB       ILE  12  -0.700   0.888  -7.269
  106   HG12  ILE  12          1HG1      ILE  12  -0.089  -1.287  -9.294
  107   HG13  ILE  12          2HG1      ILE  12   0.794  -1.103  -7.779
  108   HG21  ILE  12          1HG2      ILE  12  -1.351   0.810 -10.221
  109   HG22  ILE  12          2HG2      ILE  12  -2.078   1.810  -8.965
  110   HG23  ILE  12          3HG2      ILE  12  -2.426   0.085  -9.027
  111   HD11  ILE  12          3HD1      ILE  12  -2.155  -1.695  -8.135
  112   HD12  ILE  12          1HD1      ILE  12  -1.450  -1.222  -6.588
  113   HD13  ILE  12          2HD1      ILE  12  -0.937  -2.716  -7.370
  114    H    LEU  13           H        LEU  13   0.462   2.688 -10.906
  115    HA   LEU  13           HA       LEU  13   0.180   5.281  -9.531
  116    HB2  LEU  13           1HB      LEU  13   1.889   5.200 -11.258
  117    HB3  LEU  13           2HB      LEU  13   0.729   4.574 -12.427
  118    HG   LEU  13           HG       LEU  13  -0.549   6.661 -12.330
  119   HD11  LEU  13          1HD1      LEU  13   0.644   8.596 -11.030
  120   HD12  LEU  13          2HD1      LEU  13   1.402   7.294 -10.116
  121   HD13  LEU  13          3HD1      LEU  13  -0.354   7.462 -10.122
  122   HD21  LEU  13          3HD2      LEU  13   2.421   7.204 -12.622
  123   HD22  LEU  13          1HD2      LEU  13   1.115   8.146 -13.343
  124   HD23  LEU  13          2HD2      LEU  13   1.402   6.487 -13.869
  Start of MODEL   28
    1    H1   GLU   1           1H       GLU   1  -7.803 -12.176   9.165
    2    H2   GLU   1           2H       GLU   1  -6.232 -11.532   9.053
    3    H3   GLU   1           3H       GLU   1  -7.110 -11.893   7.644
    4    HA   GLU   1           HA       GLU   1  -8.356 -10.034   7.740
    5    HB2  GLU   1           1HB      GLU   1  -8.964  -8.957   9.909
    6    HB3  GLU   1           2HB      GLU   1  -9.456 -10.648   9.829
    7    HG2  GLU   1           1HG      GLU   1  -7.431 -11.298  11.080
    8    HG3  GLU   1           2HG      GLU   1  -6.936  -9.609  11.159
    9    H    LEU   2           H        LEU   2  -5.599 -10.233   7.274
   10    HA   LEU   2           HA       LEU   2  -4.179  -8.175   8.712
   11    HB2  LEU   2           1HB      LEU   2  -3.524  -9.617   6.130
   12    HB3  LEU   2           2HB      LEU   2  -2.419  -8.569   7.013
   13    HG   LEU   2           HG       LEU   2  -3.705 -11.049   8.198
   14   HD11  LEU   2          1HD1      LEU   2  -2.234 -11.708   6.372
   15   HD12  LEU   2          2HD1      LEU   2  -1.426 -12.055   7.902
   16   HD13  LEU   2          3HD1      LEU   2  -0.966 -10.636   6.961
   17   HD21  LEU   2          3HD2      LEU   2  -1.623 -10.704   9.759
   18   HD22  LEU   2          1HD2      LEU   2  -3.042  -9.692  10.008
   19   HD23  LEU   2          2HD2      LEU   2  -1.642  -9.052   9.146
   20    H    TYR   3           H        TYR   3  -4.298  -6.067   8.360
   21    HA   TYR   3           HA       TYR   3  -5.777  -5.011   6.107
   22    HB2  TYR   3           1HB      TYR   3  -6.013  -3.977   8.308
   23    HB3  TYR   3           2HB      TYR   3  -4.286  -3.623   8.345
   24    HD1  TYR   3           HD1      TYR   3  -7.408  -2.989   6.401
   25    HD2  TYR   3           HD2      TYR   3  -3.436  -1.653   7.337
   26    HE1  TYR   3           HE1      TYR   3  -7.819  -0.894   5.144
   27    HE2  TYR   3           HE2      TYR   3  -3.844   0.446   6.077
   28    HH   TYR   3           HH       TYR   3  -6.741   0.889   4.145
   29    H    GLU   4           H        GLU   4  -4.964  -4.019   4.314
   30    HA   GLU   4           HA       GLU   4  -2.204  -4.465   3.675
   31    HB2  GLU   4           1HB      GLU   4  -4.413  -3.000   2.224
   32    HB3  GLU   4           2HB      GLU   4  -2.785  -3.194   1.573
   33    HG2  GLU   4           1HG      GLU   4  -3.008  -5.639   1.710
   34    HG3  GLU   4           2HG      GLU   4  -4.618  -5.462   2.408
   35    H    ASN   5           H        ASN   5  -0.558  -3.232   4.235
   36    HA   ASN   5           HA       ASN   5  -1.026  -0.441   5.078
   37    HB2  ASN   5           1HB      ASN   5   0.211  -2.036   6.583
   38    HB3  ASN   5           2HB      ASN   5   1.482  -2.104   5.364
   39   HD21  ASN   5          2HD2      ASN   5   2.991  -1.059   6.906
   40   HD22  ASN   5          1HD2      ASN   5   2.878   0.607   7.208
   41    H    LYS   6           H        LYS   6  -0.957   0.897   3.360
   42    HA   LYS   6           HA       LYS   6   0.621   0.483   1.036
   43    HB2  LYS   6           1HB      LYS   6  -0.824   2.868   2.182
   44    HB3  LYS   6           2HB      LYS   6   0.133   3.009   0.708
   45    HG2  LYS   6           1HG      LYS   6  -1.218   1.323  -0.397
   46    HG3  LYS   6           2HG      LYS   6  -2.084   0.973   1.101
   47    HD2  LYS   6           1HD      LYS   6  -2.859   3.375   1.116
   48    HD3  LYS   6           2HD      LYS   6  -2.146   3.553  -0.487
   49    HE2  LYS   6           1HE      LYS   6  -4.218   1.447   0.189
   50    HE3  LYS   6           2HE      LYS   6  -4.615   3.026  -0.493
   51    HZ1  LYS   6           3HZ      LYS   6  -4.173   0.965  -2.023
   52    HZ2  LYS   6           1HZ      LYS   6  -2.553   1.420  -1.813
   53    HZ3  LYS   6           2HZ      LYS   6  -3.662   2.518  -2.483
   54    HA   PRO   7           HA       PRO   7   4.396   2.277   2.620
   55    HB2  PRO   7           1HB      PRO   7   5.839   2.524   0.416
   56    HB3  PRO   7           2HB      PRO   7   5.164   0.923   0.789
   57    HG2  PRO   7           1HG      PRO   7   4.046   3.036  -1.021
   58    HG3  PRO   7           2HG      PRO   7   4.380   1.326  -1.392
   59    HD2  PRO   7           1HD      PRO   7   1.892   2.216  -0.613
   60    HD3  PRO   7           2HD      PRO   7   2.489   0.574  -0.253
   61    H    ARG   8           H        ARG   8   5.670   4.194   0.474
   62    HA   ARG   8           HA       ARG   8   4.362   6.589   1.476
   63    HB2  ARG   8           1HB      ARG   8   6.851   6.506   1.274
   64    HB3  ARG   8           2HB      ARG   8   6.677   6.340  -0.474
   65    HG2  ARG   8           1HG      ARG   8   5.438   8.498  -0.529
   66    HG3  ARG   8           2HG      ARG   8   5.705   8.670   1.204
   67    HD2  ARG   8           1HD      ARG   8   7.929   8.379  -0.830
   68    HD3  ARG   8           2HD      ARG   8   7.357   9.926  -0.217
   69    HE   ARG   8           HE       ARG   8   8.003   8.275   1.977
   70   HH11  ARG   8          1HH2      ARG   8   9.466   9.934  -0.686
   71   HH12  ARG   8          2HH2      ARG   8  10.977  10.180   0.122
   72   HH21  ARG   8          1HH1      ARG   8   9.984   8.602   3.042
   73   HH22  ARG   8          2HH1      ARG   8  11.264   9.443   2.237
   74    H    ARG   9           H        ARG   9   5.525   6.012  -1.794
   75    HA   ARG   9           HA       ARG   9   2.931   6.911  -2.875
   76    HB2  ARG   9           1HB      ARG   9   5.741   6.830  -3.970
   77    HB3  ARG   9           2HB      ARG   9   4.353   6.934  -5.056
   78    HG2  ARG   9           1HG      ARG   9   3.608   8.986  -4.020
   79    HG3  ARG   9           2HG      ARG   9   4.824   8.845  -2.753
   80    HD2  ARG   9           1HD      ARG   9   6.616   9.122  -4.372
   81    HD3  ARG   9           2HD      ARG   9   5.459   9.131  -5.702
   82    HE   ARG   9           HE       ARG   9   4.721  11.172  -3.932
   83   HH11  ARG   9          1HH2      ARG   9   7.345  10.286  -6.009
   84   HH12  ARG   9          2HH2      ARG   9   7.810  11.922  -6.342
   85   HH21  ARG   9          1HH1      ARG   9   5.328  13.313  -4.360
   86   HH22  ARG   9          2HH1      ARG   9   6.663  13.636  -5.417
   87    HA   PRO  10           HA       PRO  10   2.462   2.378  -3.284
   88    HB2  PRO  10           1HB      PRO  10   0.056   3.246  -4.860
   89    HB3  PRO  10           2HB      PRO  10   0.179   2.029  -3.574
   90    HG2  PRO  10           1HG      PRO  10  -0.896   4.440  -3.129
   91    HG3  PRO  10           2HG      PRO  10   0.056   3.600  -1.891
   92    HD2  PRO  10           1HD      PRO  10   0.817   5.943  -3.586
   93    HD3  PRO  10           2HD      PRO  10   1.335   5.522  -1.940
   94    H    TYR  11           H        TYR  11   2.197   0.907  -5.240
   95    HA   TYR  11           HA       TYR  11   3.979   1.726  -7.308
   96    HB2  TYR  11           1HB      TYR  11   2.159  -0.686  -7.133
   97    HB3  TYR  11           2HB      TYR  11   3.434  -0.456  -8.330
   98    HD1  TYR  11           HD2      TYR  11   2.740  -0.999  -4.738
   99    HD2  TYR  11           HD1      TYR  11   5.762  -0.624  -7.760
  100    HE1  TYR  11           HE2      TYR  11   4.443  -1.845  -3.142
  101    HE2  TYR  11           HE1      TYR  11   7.465  -1.475  -6.173
  102    HH   TYR  11           HH       TYR  11   6.603  -2.916  -3.175
  103    H    ILE  12           H        ILE  12   1.768   3.517  -7.170
  104    HA   ILE  12           HA       ILE  12  -0.003   2.914  -9.392
  105    HB   ILE  12           HB       ILE  12  -0.746   4.223  -7.394
  106   HG12  ILE  12          1HG1      ILE  12  -0.809   5.813  -9.979
  107   HG13  ILE  12          2HG1      ILE  12  -1.843   4.422  -9.651
  108   HG21  ILE  12          1HG2      ILE  12   1.519   5.459  -7.280
  109   HG22  ILE  12          2HG2      ILE  12   0.066   6.407  -6.972
  110   HG23  ILE  12          3HG2      ILE  12   0.866   6.510  -8.537
  111   HD11  ILE  12          3HD1      ILE  12  -3.123   6.370  -9.089
  112   HD12  ILE  12          1HD1      ILE  12  -1.780   7.064  -8.181
  113   HD13  ILE  12          2HD1      ILE  12  -2.625   5.646  -7.559
  114    H    LEU  13           H        LEU  13   0.388   3.379 -11.448
  115    HA   LEU  13           HA       LEU  13   2.478   5.377 -12.131
  116    HB2  LEU  13           1HB      LEU  13   1.911   2.745 -13.521
  117    HB3  LEU  13           2HB      LEU  13   3.133   3.925 -13.994
  118    HG   LEU  13           HG       LEU  13   3.044   2.518 -11.310
  119   HD11  LEU  13          1HD1      LEU  13   4.691   1.990 -13.800
  120   HD12  LEU  13          2HD1      LEU  13   3.533   0.898 -13.040
  121   HD13  LEU  13          3HD1      LEU  13   5.044   1.290 -12.220
  122   HD21  LEU  13          3HD2      LEU  13   4.260   4.497 -10.947
  123   HD22  LEU  13          1HD2      LEU  13   4.906   4.524 -12.587
  124   HD23  LEU  13          2HD2      LEU  13   5.532   3.373 -11.406
  Start of MODEL   29
    1    H1   GLU   1           1H       GLU   1  -5.266 -11.434   7.082
    2    H2   GLU   1           2H       GLU   1  -6.534 -10.680   6.238
    3    H3   GLU   1           3H       GLU   1  -6.709 -12.277   6.792
    4    HA   GLU   1           HA       GLU   1  -7.920 -10.986   8.309
    5    HB2  GLU   1           1HB      GLU   1  -6.369 -12.659   9.321
    6    HB3  GLU   1           2HB      GLU   1  -5.146 -11.395   9.467
    7    HG2  GLU   1           1HG      GLU   1  -6.592 -10.099  10.936
    8    HG3  GLU   1           2HG      GLU   1  -7.901 -11.259  10.719
    9    H    LEU   2           H        LEU   2  -4.598  -9.749   8.662
   10    HA   LEU   2           HA       LEU   2  -5.486  -7.121   9.403
   11    HB2  LEU   2           1HB      LEU   2  -2.761  -8.195   8.634
   12    HB3  LEU   2           2HB      LEU   2  -3.048  -6.595   9.313
   13    HG   LEU   2           HG       LEU   2  -4.185  -8.923  10.832
   14   HD11  LEU   2          1HD1      LEU   2  -2.043  -9.379  11.943
   15   HD12  LEU   2          2HD1      LEU   2  -1.229  -8.244  10.867
   16   HD13  LEU   2          3HD1      LEU   2  -1.931  -9.725  10.218
   17   HD21  LEU   2          3HD2      LEU   2  -3.485  -7.528  12.753
   18   HD22  LEU   2          1HD2      LEU   2  -4.472  -6.601  11.621
   19   HD23  LEU   2          2HD2      LEU   2  -2.721  -6.389  11.643
   20    H    TYR   3           H        TYR   3  -5.522  -5.259   8.170
   21    HA   TYR   3           HA       TYR   3  -5.682  -5.601   5.306
   22    HB2  TYR   3           1HB      TYR   3  -7.219  -4.088   6.521
   23    HB3  TYR   3           2HB      TYR   3  -5.848  -3.077   6.977
   24    HD1  TYR   3           HD2      TYR   3  -7.703  -4.446   4.043
   25    HD2  TYR   3           HD1      TYR   3  -4.980  -1.451   5.482
   26    HE1  TYR   3           HE2      TYR   3  -7.863  -3.257   1.871
   27    HE2  TYR   3           HE1      TYR   3  -5.148  -0.259   3.314
   28    HH   TYR   3           HH       TYR   3  -6.482  -0.079   1.416
   29    H    GLU   4           H        GLU   4  -4.171  -5.088   3.814
   30    HA   GLU   4           HA       GLU   4  -1.477  -4.682   4.625
   31    HB2  GLU   4           1HB      GLU   4  -2.788  -4.491   1.900
   32    HB3  GLU   4           2HB      GLU   4  -1.049  -4.408   2.170
   33    HG2  GLU   4           1HG      GLU   4  -1.379  -6.678   1.680
   34    HG3  GLU   4           2HG      GLU   4  -1.367  -6.668   3.439
   35    H    ASN   5           H        ASN   5  -0.454  -2.875   5.116
   36    HA   ASN   5           HA       ASN   5  -1.768  -0.300   4.763
   37    HB2  ASN   5           1HB      ASN   5   0.847  -1.093   6.065
   38    HB3  ASN   5           2HB      ASN   5   0.209   0.549   6.032
   39   HD21  ASN   5          2HD2      ASN   5  -2.610  -0.229   6.370
   40   HD22  ASN   5          1HD2      ASN   5  -2.772  -0.800   7.961
   41    H    LYS   6           H        LYS   6  -1.065   1.364   3.471
   42    HA   LYS   6           HA       LYS   6   0.385   0.699   1.116
   43    HB2  LYS   6           1HB      LYS   6  -0.623   3.284   2.295
   44    HB3  LYS   6           2HB      LYS   6   0.335   3.275   0.812
   45    HG2  LYS   6           1HG      LYS   6  -1.292   2.025  -0.369
   46    HG3  LYS   6           2HG      LYS   6  -2.099   1.503   1.110
   47    HD2  LYS   6           1HD      LYS   6  -2.921   3.748   1.524
   48    HD3  LYS   6           2HD      LYS   6  -1.980   4.383   0.174
   49    HE2  LYS   6           1HE      LYS   6  -3.282   2.843  -1.348
   50    HE3  LYS   6           2HE      LYS   6  -4.319   2.462   0.028
   51    HZ1  LYS   6           3HZ      LYS   6  -5.004   4.351  -1.548
   52    HZ2  LYS   6           1HZ      LYS   6  -3.823   5.264  -0.741
   53    HZ3  LYS   6           2HZ      LYS   6  -5.128   4.606   0.127
   54    HA   PRO   7           HA       PRO   7   4.427   1.808   2.681
   55    HB2  PRO   7           1HB      PRO   7   5.873   1.844   0.458
   56    HB3  PRO   7           2HB      PRO   7   4.976   0.365   0.858
   57    HG2  PRO   7           1HG      PRO   7   4.175   2.582  -0.995
   58    HG3  PRO   7           2HG      PRO   7   4.216   0.831  -1.309
   59    HD2  PRO   7           1HD      PRO   7   1.922   2.156  -0.534
   60    HD3  PRO   7           2HD      PRO   7   2.235   0.441  -0.159
   61    H    ARG   8           H        ARG   8   5.604   3.470   0.084
   62    HA   ARG   8           HA       ARG   8   5.150   6.059   1.341
   63    HB2  ARG   8           1HB      ARG   8   6.646   6.674  -0.831
   64    HB3  ARG   8           2HB      ARG   8   7.364   6.067   0.659
   65    HG2  ARG   8           1HG      ARG   8   7.363   3.791  -0.209
   66    HG3  ARG   8           2HG      ARG   8   6.509   4.312  -1.661
   67    HD2  ARG   8           1HD      ARG   8   9.237   5.331  -0.828
   68    HD3  ARG   8           2HD      ARG   8   8.970   4.059  -2.018
   69    HE   ARG   8           HE       ARG   8   7.435   6.266  -2.796
   70   HH11  ARG   8          1HH2      ARG   8  10.763   5.426  -2.308
   71   HH12  ARG   8          2HH2      ARG   8  11.343   6.461  -3.570
   72   HH21  ARG   8          1HH1      ARG   8   8.195   7.622  -4.437
   73   HH22  ARG   8          2HH1      ARG   8   9.894   7.718  -4.762
   74    H    ARG   9           H        ARG   9   5.462   5.697  -2.089
   75    HA   ARG   9           HA       ARG   9   2.824   6.936  -2.499
   76    HB2  ARG   9           1HB      ARG   9   5.187   6.531  -4.347
   77    HB3  ARG   9           2HB      ARG   9   3.661   7.277  -4.824
   78    HG2  ARG   9           1HG      ARG   9   3.972   9.052  -3.171
   79    HG3  ARG   9           2HG      ARG   9   5.441   8.274  -2.580
   80    HD2  ARG   9           1HD      ARG   9   6.535   8.613  -4.733
   81    HD3  ARG   9           2HD      ARG   9   5.048   9.267  -5.415
   82    HE   ARG   9           HE       ARG   9   5.704  10.807  -3.163
   83   HH11  ARG   9          1HH2      ARG   9   6.920  10.019  -6.304
   84   HH12  ARG   9          2HH2      ARG   9   7.725  11.536  -6.529
   85   HH21  ARG   9          1HH1      ARG   9   6.761  12.801  -3.444
   86   HH22  ARG   9          2HH1      ARG   9   7.638  13.110  -4.906
   87    HA   PRO  10           HA       PRO  10   1.704   2.582  -3.294
   88    HB2  PRO  10           1HB      PRO  10  -0.817   3.841  -4.315
   89    HB3  PRO  10           2HB      PRO  10  -0.610   2.506  -3.165
   90    HG2  PRO  10           1HG      PRO  10  -1.312   4.965  -2.364
   91    HG3  PRO  10           2HG      PRO  10  -0.270   3.919  -1.381
   92    HD2  PRO  10           1HD      PRO  10   0.472   6.319  -3.009
   93    HD3  PRO  10           2HD      PRO  10   1.193   5.701  -1.505
   94    H    TYR  11           H        TYR  11   1.774   1.336  -5.136
   95    HA   TYR  11           HA       TYR  11   3.040   1.950  -7.393
   96    HB2  TYR  11           1HB      TYR  11   0.571   0.204  -7.282
   97    HB3  TYR  11           2HB      TYR  11   1.771   0.188  -8.574
   98    HD1  TYR  11           HD1      TYR  11   4.115  -0.520  -8.107
   99    HD2  TYR  11           HD2      TYR  11   1.009  -0.832  -5.156
  100    HE1  TYR  11           HE1      TYR  11   5.523  -2.080  -6.788
  101    HE2  TYR  11           HE2      TYR  11   2.419  -2.386  -3.836
  102    HH   TYR  11           HH       TYR  11   5.758  -2.928  -4.586
  103    H    ILE  12           H        ILE  12   2.659   4.114  -8.015
  104    HA   ILE  12           HA       ILE  12   0.057   4.888  -9.056
  105    HB   ILE  12           HB       ILE  12   1.535   6.499  -7.857
  106   HG12  ILE  12          1HG1      ILE  12   1.106   7.257 -10.762
  107   HG13  ILE  12          2HG1      ILE  12  -0.197   7.183  -9.575
  108   HG21  ILE  12          1HG2      ILE  12   3.563   7.279  -8.854
  109   HG22  ILE  12          2HG2      ILE  12   3.226   6.435 -10.366
  110   HG23  ILE  12          3HG2      ILE  12   3.647   5.519  -8.919
  111   HD11  ILE  12          3HD1      ILE  12   2.277   8.926  -9.389
  112   HD12  ILE  12          1HD1      ILE  12   1.004   8.835  -8.170
  113   HD13  ILE  12          2HD1      ILE  12   0.649   9.484  -9.772
  114    H    LEU  13           H        LEU  13   2.890   3.386 -10.219
  115    HA   LEU  13           HA       LEU  13   3.290   4.186 -12.781
  116    HB2  LEU  13           1HB      LEU  13   3.220   1.422 -11.589
  117    HB3  LEU  13           2HB      LEU  13   3.558   1.641 -13.302
  118    HG   LEU  13           HG       LEU  13   5.615   1.535 -11.853
  119   HD11  LEU  13          1HD1      LEU  13   5.577   4.305 -13.006
  120   HD12  LEU  13          2HD1      LEU  13   5.284   2.949 -14.093
  121   HD13  LEU  13          3HD1      LEU  13   6.781   3.030 -13.171
  122   HD21  LEU  13          3HD2      LEU  13   4.724   4.262 -10.879
  123   HD22  LEU  13          1HD2      LEU  13   6.155   3.365 -10.383
  124   HD23  LEU  13          2HD2      LEU  13   4.556   2.782  -9.934
  Start of MODEL   30
    1    H1   GLU   1           1H       GLU   1  -7.325  -2.517   2.365
    2    H2   GLU   1           2H       GLU   1  -6.683  -3.335   3.710
    3    H3   GLU   1           3H       GLU   1  -8.365  -3.221   3.503
    4    HA   GLU   1           HA       GLU   1  -8.423  -5.045   2.275
    5    HB2  GLU   1           1HB      GLU   1  -7.731  -3.505   0.403
    6    HB3  GLU   1           2HB      GLU   1  -6.058  -3.953   0.727
    7    HG2  GLU   1           1HG      GLU   1  -6.845  -5.358  -1.064
    8    HG3  GLU   1           2HG      GLU   1  -6.723  -6.364   0.379
    9    H    LEU   2           H        LEU   2  -4.921  -4.487   2.039
   10    HA   LEU   2           HA       LEU   2  -4.331  -7.137   3.006
   11    HB2  LEU   2           1HB      LEU   2  -2.545  -4.758   2.428
   12    HB3  LEU   2           2HB      LEU   2  -1.961  -6.374   2.816
   13    HG   LEU   2           HG       LEU   2  -3.809  -5.771   0.485
   14   HD11  LEU   2          1HD1      LEU   2  -0.790  -6.030   0.594
   15   HD12  LEU   2          2HD1      LEU   2  -1.719  -4.621   0.079
   16   HD13  LEU   2          3HD1      LEU   2  -1.728  -6.089  -0.899
   17   HD21  LEU   2          3HD2      LEU   2  -2.717  -8.034  -0.257
   18   HD22  LEU   2          1HD2      LEU   2  -3.997  -8.079   0.947
   19   HD23  LEU   2          2HD2      LEU   2  -2.312  -8.215   1.449
   20    H    TYR   3           H        TYR   3  -3.437  -7.721   4.977
   21    HA   TYR   3           HA       TYR   3  -4.259  -6.293   7.249
   22    HB2  TYR   3           1HB      TYR   3  -3.826  -8.687   7.343
   23    HB3  TYR   3           2HB      TYR   3  -2.121  -8.420   6.972
   24    HD1  TYR   3           HD1      TYR   3  -4.763  -7.993   9.523
   25    HD2  TYR   3           HD2      TYR   3  -0.582  -7.567   8.640
   26    HE1  TYR   3           HE1      TYR   3  -4.287  -7.658  11.934
   27    HE2  TYR   3           HE2      TYR   3  -0.106  -7.229  11.049
   28    HH   TYR   3           HH       TYR   3  -1.386  -7.978  13.300
   29    H    GLU   4           H        GLU   4  -1.044  -6.558   5.741
   30    HA   GLU   4           HA       GLU   4   0.261  -4.862   7.617
   31    HB2  GLU   4           1HB      GLU   4   0.993  -5.658   4.789
   32    HB3  GLU   4           2HB      GLU   4   2.054  -4.753   5.870
   33    HG2  GLU   4           1HG      GLU   4   2.000  -6.582   7.501
   34    HG3  GLU   4           2HG      GLU   4   0.879  -7.479   6.479
   35    H    ASN   5           H        ASN   5   0.641  -2.682   7.596
   36    HA   ASN   5           HA       ASN   5  -1.157  -1.070   6.007
   37    HB2  ASN   5           1HB      ASN   5   0.970  -0.324   8.025
   38    HB3  ASN   5           2HB      ASN   5  -0.132   0.823   7.263
   39   HD21  ASN   5          2HD2      ASN   5   0.241  -1.073  10.011
   40   HD22  ASN   5          1HD2      ASN   5  -1.388  -1.177  10.480
   41    H    LYS   6           H        LYS   6  -0.696   0.159   4.267
   42    HA   LYS   6           HA       LYS   6   1.850  -0.238   2.943
   43    HB2  LYS   6           1HB      LYS   6  -0.077   1.768   1.846
   44    HB3  LYS   6           2HB      LYS   6   0.776   0.458   1.029
   45    HG2  LYS   6           1HG      LYS   6  -0.782  -1.134   2.346
   46    HG3  LYS   6           2HG      LYS   6  -1.761   0.302   2.656
   47    HD2  LYS   6           1HD      LYS   6  -1.844   0.720   0.189
   48    HD3  LYS   6           2HD      LYS   6  -0.996  -0.806  -0.061
   49    HE2  LYS   6           1HE      LYS   6  -2.806  -2.066   0.893
   50    HE3  LYS   6           2HE      LYS   6  -3.595  -0.598   1.475
   51    HZ1  LYS   6           3HZ      LYS   6  -3.607  -1.772  -1.162
   52    HZ2  LYS   6           1HZ      LYS   6  -3.349  -0.095  -1.147
   53    HZ3  LYS   6           2HZ      LYS   6  -4.740  -0.746  -0.421
   54    HA   PRO   7           HA       PRO   7   3.480   3.694   4.289
   55    HB2  PRO   7           1HB      PRO   7   5.426   4.150   2.542
   56    HB3  PRO   7           2HB      PRO   7   5.435   2.619   3.443
   57    HG2  PRO   7           1HG      PRO   7   4.428   3.143   0.668
   58    HG3  PRO   7           2HG      PRO   7   5.533   1.868   1.229
   59    HD2  PRO   7           1HD      PRO   7   2.812   1.489   0.919
   60    HD3  PRO   7           2HD      PRO   7   3.806   0.560   2.068
   61    H    ARG   8           H        ARG   8   4.452   4.887   1.320
   62    HA   ARG   8           HA       ARG   8   2.250   6.796   1.229
   63    HB2  ARG   8           1HB      ARG   8   4.701   7.451   0.977
   64    HB3  ARG   8           2HB      ARG   8   4.658   6.671  -0.602
   65    HG2  ARG   8           1HG      ARG   8   2.849   8.162  -1.318
   66    HG3  ARG   8           2HG      ARG   8   2.802   8.902   0.283
   67    HD2  ARG   8           1HD      ARG   8   5.251   8.895  -1.498
   68    HD3  ARG   8           2HD      ARG   8   4.102  10.228  -1.415
   69    HE   ARG   8           HE       ARG   8   4.928   9.633   1.203
   70   HH11  ARG   8          1HH2      ARG   8   6.194  10.814  -1.794
   71   HH12  ARG   8          2HH2      ARG   8   7.418  11.787  -1.050
   72   HH21  ARG   8          1HH1      ARG   8   6.528  10.906   2.184
   73   HH22  ARG   8          2HH1      ARG   8   7.609  11.840   1.201
   74    H    ARG   9           H        ARG   9   3.469   6.387  -1.839
   75    HA   ARG   9           HA       ARG   9   1.098   4.858  -2.673
   76    HB2  ARG   9           1HB      ARG   9   3.055   6.627  -4.145
   77    HB3  ARG   9           2HB      ARG   9   1.912   5.583  -4.987
   78    HG2  ARG   9           1HG      ARG   9   0.048   6.671  -3.746
   79    HG3  ARG   9           2HG      ARG   9   1.215   7.769  -3.008
   80    HD2  ARG   9           1HD      ARG   9   1.924   8.428  -5.347
   81    HD3  ARG   9           2HD      ARG   9   0.550   7.507  -5.947
   82    HE   ARG   9           HE       ARG   9  -0.417   9.278  -4.009
   83   HH11  ARG   9          1HH2      ARG   9   1.145   9.325  -7.094
   84   HH12  ARG   9          2HH2      ARG   9   0.425  10.819  -7.594
   85   HH21  ARG   9          1HH1      ARG   9  -1.360  11.244  -4.650
   86   HH22  ARG   9          2HH1      ARG   9  -0.984  11.912  -6.205
   87    HA   PRO  10           HA       PRO  10   4.367   1.675  -2.813
   88    HB2  PRO  10           1HB      PRO  10   2.757  -0.544  -2.974
   89    HB3  PRO  10           2HB      PRO  10   3.111   0.297  -1.454
   90    HG2  PRO  10           1HG      PRO  10   0.684   0.443  -3.176
   91    HG3  PRO  10           2HG      PRO  10   0.815   0.453  -1.410
   92    HD2  PRO  10           1HD      PRO  10   0.420   2.721  -2.927
   93    HD3  PRO  10           2HD      PRO  10   1.185   2.734  -1.322
   94    H    TYR  11           H        TYR  11   1.490   0.888  -4.806
   95    HA   TYR  11           HA       TYR  11   3.081   1.124  -7.257
   96    HB2  TYR  11           1HB      TYR  11   1.619  -1.427  -6.523
   97    HB3  TYR  11           2HB      TYR  11   2.445  -1.105  -8.045
   98    HD1  TYR  11           HD1      TYR  11   4.957  -0.657  -8.009
   99    HD2  TYR  11           HD2      TYR  11   2.807  -2.185  -4.620
  100    HE1  TYR  11           HE1      TYR  11   7.086  -1.439  -7.004
  101    HE2  TYR  11           HE2      TYR  11   4.935  -2.962  -3.617
  102    HH   TYR  11           HH       TYR  11   7.851  -3.102  -5.383
  103    H    ILE  12           H        ILE  12   1.470   2.983  -7.146
  104    HA   ILE  12           HA       ILE  12  -1.304   2.451  -7.510
  105    HB   ILE  12           HB       ILE  12  -0.396   4.626  -6.697
  106   HG12  ILE  12          1HG1      ILE  12  -1.975   4.964  -9.257
  107   HG13  ILE  12          2HG1      ILE  12  -2.685   4.312  -7.781
  108   HG21  ILE  12          1HG2      ILE  12   0.344   5.066  -9.606
  109   HG22  ILE  12          2HG2      ILE  12   1.511   4.709  -8.332
  110   HG23  ILE  12          3HG2      ILE  12   0.567   6.197  -8.272
  111   HD11  ILE  12          3HD1      ILE  12  -1.240   6.970  -7.869
  112   HD12  ILE  12          1HD1      ILE  12  -2.257   6.338  -6.575
  113   HD13  ILE  12          2HD1      ILE  12  -2.980   6.818  -8.111
  114    H    LEU  13           H        LEU  13   1.425   2.653  -9.685
  115    HA   LEU  13           HA       LEU  13   1.624   2.324 -11.949
  116    HB2  LEU  13           1HB      LEU  13  -0.737   0.653 -11.165
  117    HB3  LEU  13           2HB      LEU  13  -0.458   0.900 -12.886
  118    HG   LEU  13           HG       LEU  13   1.863   0.074 -12.620
  119   HD11  LEU  13          1HD1      LEU  13   2.180   0.739 -10.257
  120   HD12  LEU  13          2HD1      LEU  13   2.522  -0.975 -10.484
  121   HD13  LEU  13          3HD1      LEU  13   0.996  -0.472  -9.766
  122   HD21  LEU  13          3HD2      LEU  13  -0.009  -1.492 -13.157
  123   HD22  LEU  13          1HD2      LEU  13  -0.197  -1.809 -11.433
  124   HD23  LEU  13          2HD2      LEU  13   1.289  -2.275 -12.257
  Start of MODEL   31
    1    H1   GLU   1           1H       GLU   1  -6.897  -9.035   8.550
    2    H2   GLU   1           2H       GLU   1  -8.152  -7.937   8.877
    3    H3   GLU   1           3H       GLU   1  -6.576  -7.618   9.427
    4    HA   GLU   1           HA       GLU   1  -6.464  -8.008   6.658
    5    HB2  GLU   1           1HB      GLU   1  -7.919  -6.158   5.927
    6    HB3  GLU   1           2HB      GLU   1  -8.869  -7.436   6.682
    7    HG2  GLU   1           1HG      GLU   1  -8.838  -6.160   8.818
    8    HG3  GLU   1           2HG      GLU   1  -7.959  -4.861   8.009
    9    H    LEU   2           H        LEU   2  -5.055  -7.297   9.182
   10    HA   LEU   2           HA       LEU   2  -4.348  -4.557   9.171
   11    HB2  LEU   2           1HB      LEU   2  -2.901  -7.015  10.174
   12    HB3  LEU   2           2HB      LEU   2  -2.324  -5.374  10.447
   13    HG   LEU   2           HG       LEU   2  -5.093  -6.325  11.242
   14   HD11  LEU   2          1HD1      LEU   2  -2.585  -6.110  12.940
   15   HD12  LEU   2          2HD1      LEU   2  -3.338  -7.617  12.416
   16   HD13  LEU   2          3HD1      LEU   2  -4.191  -6.543  13.524
   17   HD21  LEU   2          3HD2      LEU   2  -3.473  -3.811  11.680
   18   HD22  LEU   2          1HD2      LEU   2  -4.661  -4.297  12.888
   19   HD23  LEU   2          2HD2      LEU   2  -5.171  -3.977  11.234
   20    H    TYR   3           H        TYR   3  -2.988  -7.398   7.581
   21    HA   TYR   3           HA       TYR   3  -0.654  -6.237   6.547
   22    HB2  TYR   3           1HB      TYR   3  -2.358  -8.462   5.402
   23    HB3  TYR   3           2HB      TYR   3  -0.716  -8.070   4.889
   24    HD1  TYR   3           HD2      TYR   3  -2.790  -9.328   7.676
   25    HD2  TYR   3           HD1      TYR   3   1.202  -8.609   6.266
   26    HE1  TYR   3           HE2      TYR   3  -1.890 -10.705   9.533
   27    HE2  TYR   3           HE1      TYR   3   2.104  -9.978   8.128
   28    HH   TYR   3           HH       TYR   3   0.253 -12.063   9.937
   29    H    GLU   4           H        GLU   4  -3.953  -6.356   5.241
   30    HA   GLU   4           HA       GLU   4  -3.328  -5.258   2.706
   31    HB2  GLU   4           1HB      GLU   4  -5.458  -6.419   3.213
   32    HB3  GLU   4           2HB      GLU   4  -5.927  -5.066   4.244
   33    HG2  GLU   4           1HG      GLU   4  -5.860  -3.536   2.354
   34    HG3  GLU   4           2HG      GLU   4  -5.235  -4.806   1.305
   35    H    ASN   5           H        ASN   5  -1.873  -3.551   3.140
   36    HA   ASN   5           HA       ASN   5  -3.185  -0.997   3.558
   37    HB2  ASN   5           1HB      ASN   5  -2.593  -1.803   5.869
   38    HB3  ASN   5           2HB      ASN   5  -0.898  -1.764   5.380
   39   HD21  ASN   5          2HD2      ASN   5  -3.795   0.333   5.675
   40   HD22  ASN   5          1HD2      ASN   5  -2.922   1.772   5.895
   41    H    LYS   6           H        LYS   6  -2.299   0.458   2.220
   42    HA   LYS   6           HA       LYS   6  -0.113  -0.212   0.536
   43    HB2  LYS   6           1HB      LYS   6  -1.171   2.574   1.032
   44    HB3  LYS   6           2HB      LYS   6  -0.409   1.951  -0.429
   45    HG2  LYS   6           1HG      LYS   6  -2.314   0.320  -0.652
   46    HG3  LYS   6           2HG      LYS   6  -3.112   1.153   0.682
   47    HD2  LYS   6           1HD      LYS   6  -3.012   3.273  -0.627
   48    HD3  LYS   6           2HD      LYS   6  -2.307   2.376  -1.974
   49    HE2  LYS   6           1HE      LYS   6  -4.943   1.593  -0.720
   50    HE3  LYS   6           2HE      LYS   6  -4.842   2.724  -2.068
   51    HZ1  LYS   6           3HZ      LYS   6  -3.524   0.970  -3.245
   52    HZ2  LYS   6           1HZ      LYS   6  -5.161   0.601  -3.000
   53    HZ3  LYS   6           2HZ      LYS   6  -3.974  -0.110  -2.012
   54    HA   PRO   7           HA       PRO   7   3.121   1.456   3.143
   55    HB2  PRO   7           1HB      PRO   7   5.189   1.507   1.470
   56    HB3  PRO   7           2HB      PRO   7   4.376  -0.041   1.781
   57    HG2  PRO   7           1HG      PRO   7   3.988   1.844  -0.519
   58    HG3  PRO   7           2HG      PRO   7   4.277   0.090  -0.551
   59    HD2  PRO   7           1HD      PRO   7   1.757   1.191  -0.706
   60    HD3  PRO   7           2HD      PRO   7   2.081  -0.422  -0.020
   61    H    ARG   8           H        ARG   8   4.805   2.989   0.689
   62    HA   ARG   8           HA       ARG   8   3.887   5.618   1.547
   63    HB2  ARG   8           1HB      ARG   8   6.135   4.733  -0.283
   64    HB3  ARG   8           2HB      ARG   8   5.751   6.423   0.050
   65    HG2  ARG   8           1HG      ARG   8   6.132   6.052   2.453
   66    HG3  ARG   8           2HG      ARG   8   6.471   4.349   2.141
   67    HD2  ARG   8           1HD      ARG   8   8.366   4.997   0.693
   68    HD3  ARG   8           2HD      ARG   8   8.055   6.692   1.050
   69    HE   ARG   8           HE       ARG   8   9.195   4.701   2.876
   70   HH11  ARG   8          1HH2      ARG   8   7.914   7.886   2.369
   71   HH12  ARG   8          2HH2      ARG   8   8.665   8.554   3.777
   72   HH21  ARG   8          1HH1      ARG   8  10.138   5.567   4.740
   73   HH22  ARG   8          2HH1      ARG   8   9.914   7.240   5.126
   74    H    ARG   9           H        ARG   9   5.007   5.678  -1.597
   75    HA   ARG   9           HA       ARG   9   2.290   6.088  -2.664
   76    HB2  ARG   9           1HB      ARG   9   5.048   6.939  -3.536
   77    HB3  ARG   9           2HB      ARG   9   3.708   6.940  -4.682
   78    HG2  ARG   9           1HG      ARG   9   4.017   9.152  -3.566
   79    HG3  ARG   9           2HG      ARG   9   2.431   8.452  -3.243
   80    HD2  ARG   9           1HD      ARG   9   3.059   7.790  -1.052
   81    HD3  ARG   9           2HD      ARG   9   4.771   8.047  -1.377
   82    HE   ARG   9           HE       ARG   9   2.850  10.047  -0.593
   83   HH11  ARG   9          1HH2      ARG   9   5.774   9.394  -2.320
   84   HH12  ARG   9          2HH2      ARG   9   6.399  11.001  -2.155
   85   HH21  ARG   9          1HH1      ARG   9   3.642  12.167  -0.399
   86   HH22  ARG   9          2HH1      ARG   9   5.178  12.579  -1.084
   87    HA   PRO  10           HA       PRO  10   3.039   1.816  -4.120
   88    HB2  PRO  10           1HB      PRO  10   0.474   2.300  -5.595
   89    HB3  PRO  10           2HB      PRO  10   0.937   0.942  -4.549
   90    HG2  PRO  10           1HG      PRO  10  -0.768   2.842  -3.733
   91    HG3  PRO  10           2HG      PRO  10   0.370   2.060  -2.623
   92    HD2  PRO  10           1HD      PRO  10   0.481   4.811  -3.797
   93    HD3  PRO  10           2HD      PRO  10   1.062   4.220  -2.226
   94    H    TYR  11           H        TYR  11   3.872   1.007  -6.041
   95    HA   TYR  11           HA       TYR  11   4.959   2.774  -7.904
   96    HB2  TYR  11           1HB      TYR  11   5.891   0.564  -7.573
   97    HB3  TYR  11           2HB      TYR  11   4.411  -0.192  -8.168
   98    HD1  TYR  11           HD1      TYR  11   7.202   2.079  -9.132
   99    HD2  TYR  11           HD2      TYR  11   4.064  -0.512 -10.501
  100    HE1  TYR  11           HE1      TYR  11   8.066   2.262 -11.449
  101    HE2  TYR  11           HE2      TYR  11   4.928  -0.332 -12.822
  102    HH   TYR  11           HH       TYR  11   6.320   1.449 -14.120
  103    H    ILE  12           H        ILE  12   1.751   2.085  -7.565
  104    HA   ILE  12           HA       ILE  12   0.850   1.729 -10.221
  105    HB   ILE  12           HB       ILE  12  -0.473   2.997  -7.811
  106   HG12  ILE  12          1HG1      ILE  12  -0.917   0.305  -9.140
  107   HG13  ILE  12          2HG1      ILE  12   0.128   0.539  -7.738
  108   HG21  ILE  12          1HG2      ILE  12  -1.552   2.340 -10.564
  109   HG22  ILE  12          2HG2      ILE  12  -1.607   3.890  -9.730
  110   HG23  ILE  12          3HG2      ILE  12  -2.600   2.552  -9.162
  111   HD11  ILE  12          3HD1      ILE  12  -2.165  -0.189  -7.088
  112   HD12  ILE  12          1HD1      ILE  12  -2.810   1.271  -7.838
  113   HD13  ILE  12          2HD1      ILE  12  -1.754   1.395  -6.433
  114    H    LEU  13           H        LEU  13   1.446   4.632  -8.272
  115    HA   LEU  13           HA       LEU  13   1.735   6.829  -8.831
  116    HB2  LEU  13           1HB      LEU  13   3.473   5.868 -10.339
  117    HB3  LEU  13           2HB      LEU  13   2.265   5.763 -11.616
  118    HG   LEU  13           HG       LEU  13   1.915   8.220 -11.461
  119   HD11  LEU  13          1HD1      LEU  13   2.506   8.979  -9.362
  120   HD12  LEU  13          2HD1      LEU  13   4.002   9.355 -10.213
  121   HD13  LEU  13          3HD1      LEU  13   3.891   7.896  -9.228
  122   HD21  LEU  13          3HD2      LEU  13   3.475   7.312 -13.111
  123   HD22  LEU  13          1HD2      LEU  13   4.772   7.300 -11.917
  124   HD23  LEU  13          2HD2      LEU  13   4.103   8.833 -12.479
  Start of MODEL   32
    1    H1   GLU   1           1H       GLU   1  -5.407  -7.665  10.097
    2    H2   GLU   1           2H       GLU   1  -4.310  -6.368  10.078
    3    H3   GLU   1           3H       GLU   1  -4.230  -7.535  11.311
    4    HA   GLU   1           HA       GLU   1  -2.564  -7.651   9.366
    5    HB2  GLU   1           1HB      GLU   1  -2.851  -9.338  11.174
    6    HB3  GLU   1           2HB      GLU   1  -4.139 -10.088  10.231
    7    HG2  GLU   1           1HG      GLU   1  -2.563 -10.518   8.392
    8    HG3  GLU   1           2HG      GLU   1  -1.272  -9.741   9.308
    9    H    LEU   2           H        LEU   2  -5.915  -8.528   8.921
   10    HA   LEU   2           HA       LEU   2  -5.716  -9.693   6.357
   11    HB2  LEU   2           1HB      LEU   2  -7.991  -8.246   7.726
   12    HB3  LEU   2           2HB      LEU   2  -8.158  -9.174   6.237
   13    HG   LEU   2           HG       LEU   2  -7.024 -10.314   8.807
   14   HD11  LEU   2          1HD1      LEU   2  -9.844 -10.524   7.693
   15   HD12  LEU   2          2HD1      LEU   2  -9.372  -9.622   9.134
   16   HD13  LEU   2          3HD1      LEU   2  -9.237 -11.381   9.109
   17   HD21  LEU   2          3HD2      LEU   2  -6.326 -11.776   7.126
   18   HD22  LEU   2          1HD2      LEU   2  -7.709 -11.430   6.090
   19   HD23  LEU   2          2HD2      LEU   2  -7.899 -12.469   7.500
   20    H    TYR   3           H        TYR   3  -6.228  -6.351   7.422
   21    HA   TYR   3           HA       TYR   3  -6.559  -5.335   4.752
   22    HB2  TYR   3           1HB      TYR   3  -6.002  -3.947   7.384
   23    HB3  TYR   3           2HB      TYR   3  -6.347  -3.111   5.870
   24    HD1  TYR   3           HD2      TYR   3  -8.565  -3.372   4.767
   25    HD2  TYR   3           HD1      TYR   3  -7.737  -5.055   8.631
   26    HE1  TYR   3           HE2      TYR   3 -10.995  -3.665   5.160
   27    HE2  TYR   3           HE1      TYR   3 -10.168  -5.350   9.022
   28    HH   TYR   3           HH       TYR   3 -12.310  -4.286   8.176
   29    H    GLU   4           H        GLU   4  -5.066  -4.414   3.420
   30    HA   GLU   4           HA       GLU   4  -2.263  -4.962   3.997
   31    HB2  GLU   4           1HB      GLU   4  -3.685  -3.878   1.558
   32    HB3  GLU   4           2HB      GLU   4  -1.942  -4.133   1.649
   33    HG2  GLU   4           1HG      GLU   4  -2.277  -6.512   2.095
   34    HG3  GLU   4           2HG      GLU   4  -4.025  -6.284   2.118
   35    H    ASN   5           H        ASN   5  -0.760  -3.506   4.550
   36    HA   ASN   5           HA       ASN   5  -1.602  -0.732   5.018
   37    HB2  ASN   5           1HB      ASN   5  -0.452  -2.012   6.817
   38    HB3  ASN   5           2HB      ASN   5   0.971  -2.128   5.783
   39   HD21  ASN   5          2HD2      ASN   5   2.362  -0.767   7.046
   40   HD22  ASN   5          1HD2      ASN   5   2.054   0.887   7.284
   41    H    LYS   6           H        LYS   6  -1.388   0.561   3.290
   42    HA   LYS   6           HA       LYS   6   0.321   0.154   1.111
   43    HB2  LYS   6           1HB      LYS   6  -0.891   2.713   2.181
   44    HB3  LYS   6           2HB      LYS   6  -0.052   2.602   0.640
   45    HG2  LYS   6           1HG      LYS   6  -2.155   2.165  -0.195
   46    HG3  LYS   6           2HG      LYS   6  -1.836   0.527   0.365
   47    HD2  LYS   6           1HD      LYS   6  -3.922   0.978   1.332
   48    HD3  LYS   6           2HD      LYS   6  -2.819   1.386   2.643
   49    HE2  LYS   6           1HE      LYS   6  -4.236   3.254   2.585
   50    HE3  LYS   6           2HE      LYS   6  -2.877   3.795   1.601
   51    HZ1  LYS   6           3HZ      LYS   6  -4.821   4.293   0.397
   52    HZ2  LYS   6           1HZ      LYS   6  -5.496   2.764   0.679
   53    HZ3  LYS   6           2HZ      LYS   6  -4.158   2.922  -0.356
   54    HA   PRO   7           HA       PRO   7   4.111   1.806   2.847
   55    HB2  PRO   7           1HB      PRO   7   5.670   1.875   0.709
   56    HB3  PRO   7           2HB      PRO   7   4.901   0.328   1.124
   57    HG2  PRO   7           1HG      PRO   7   3.987   2.388  -0.854
   58    HG3  PRO   7           2HG      PRO   7   4.242   0.644  -1.107
   59    HD2  PRO   7           1HD      PRO   7   1.777   1.720  -0.506
   60    HD3  PRO   7           2HD      PRO   7   2.253   0.065  -0.049
   61    H    ARG   8           H        ARG   8   5.504   3.529   0.561
   62    HA   ARG   8           HA       ARG   8   4.352   6.053   1.437
   63    HB2  ARG   8           1HB      ARG   8   6.826   5.805   1.260
   64    HB3  ARG   8           2HB      ARG   8   6.651   5.532  -0.473
   65    HG2  ARG   8           1HG      ARG   8   5.601   7.756  -0.717
   66    HG3  ARG   8           2HG      ARG   8   5.794   8.033   1.014
   67    HD2  ARG   8           1HD      ARG   8   8.263   7.710   0.731
   68    HD3  ARG   8           2HD      ARG   8   8.011   7.611  -1.008
   69    HE   ARG   8           HE       ARG   8   7.851  10.011   0.640
   70   HH11  ARG   8          1HH2      ARG   8   7.142   8.442  -2.363
   71   HH12  ARG   8          2HH2      ARG   8   7.001   9.919  -3.260
   72   HH21  ARG   8          1HH1      ARG   8   7.669  11.948  -0.529
   73   HH22  ARG   8          2HH1      ARG   8   7.301  11.903  -2.221
   74    H    ARG   9           H        ARG   9   5.482   5.189  -1.773
   75    HA   ARG   9           HA       ARG   9   3.004   6.253  -2.934
   76    HB2  ARG   9           1HB      ARG   9   4.660   5.651  -5.079
   77    HB3  ARG   9           2HB      ARG   9   4.536   7.230  -4.316
   78    HG2  ARG   9           1HG      ARG   9   6.867   6.665  -4.436
   79    HG3  ARG   9           2HG      ARG   9   6.397   6.532  -2.747
   80    HD2  ARG   9           1HD      ARG   9   6.238   4.114  -2.927
   81    HD3  ARG   9           2HD      ARG   9   6.483   4.189  -4.670
   82    HE   ARG   9           HE       ARG   9   8.693   5.412  -3.470
   83   HH11  ARG   9          1HH2      ARG   9   7.136   2.322  -3.605
   84   HH12  ARG   9          2HH2      ARG   9   8.596   1.424  -3.352
   85   HH21  ARG   9          1HH1      ARG   9  10.607   4.239  -3.138
   86   HH22  ARG   9          2HH1      ARG   9  10.559   2.509  -3.086
   87    HA   PRO  10           HA       PRO  10   2.223   1.801  -3.222
   88    HB2  PRO  10           1HB      PRO  10  -0.447   1.871  -3.789
   89    HB3  PRO  10           2HB      PRO  10   0.191   2.169  -2.161
   90    HG2  PRO  10           1HG      PRO  10  -0.722   4.128  -4.217
   91    HG3  PRO  10           2HG      PRO  10  -0.983   4.133  -2.464
   92    HD2  PRO  10           1HD      PRO  10   0.948   5.651  -3.728
   93    HD3  PRO  10           2HD      PRO  10   1.069   5.123  -2.034
   94    H    TYR  11           H        TYR  11   3.564   2.843  -5.332
   95    HA   TYR  11           HA       TYR  11   3.869   2.803  -7.622
   96    HB2  TYR  11           1HB      TYR  11   2.199   0.299  -7.288
   97    HB3  TYR  11           2HB      TYR  11   3.265   0.661  -8.646
   98    HD1  TYR  11           HD1      TYR  11   5.702   0.650  -8.382
   99    HD2  TYR  11           HD2      TYR  11   3.096  -0.287  -5.099
  100    HE1  TYR  11           HE1      TYR  11   7.626  -0.280  -7.120
  101    HE2  TYR  11           HE2      TYR  11   5.019  -1.216  -3.838
  102    HH   TYR  11           HH       TYR  11   8.319  -1.084  -5.161
  103    H    ILE  12           H        ILE  12   2.355   4.737  -7.651
  104    HA   ILE  12           HA       ILE  12  -0.350   4.422  -8.473
  105    HB   ILE  12           HB       ILE  12   0.615   6.500  -7.452
  106   HG12  ILE  12          1HG1      ILE  12  -0.614   6.982 -10.181
  107   HG13  ILE  12          2HG1      ILE  12  -1.540   6.411  -8.792
  108   HG21  ILE  12          1HG2      ILE  12   1.973   7.972  -8.738
  109   HG22  ILE  12          2HG2      ILE  12   1.679   7.069 -10.224
  110   HG23  ILE  12          3HG2      ILE  12   2.693   6.376  -8.958
  111   HD11  ILE  12          3HD1      ILE  12   0.066   8.983  -8.889
  112   HD12  ILE  12          1HD1      ILE  12  -0.884   8.411  -7.516
  113   HD13  ILE  12          2HD1      ILE  12  -1.689   8.869  -9.017
  114    H    LEU  13           H        LEU  13   2.689   4.905 -10.222
  115    HA   LEU  13           HA       LEU  13   1.753   5.311 -12.796
  116    HB2  LEU  13           1HB      LEU  13   4.126   3.600 -12.016
  117    HB3  LEU  13           2HB      LEU  13   3.874   4.399 -13.567
  118    HG   LEU  13           HG       LEU  13   4.135   5.827 -10.902
  119   HD11  LEU  13          1HD1      LEU  13   6.091   5.577 -13.210
  120   HD12  LEU  13          2HD1      LEU  13   6.248   4.774 -11.647
  121   HD13  LEU  13          3HD1      LEU  13   6.337   6.532 -11.748
  122   HD21  LEU  13          3HD2      LEU  13   3.663   6.733 -13.745
  123   HD22  LEU  13          1HD2      LEU  13   4.511   7.788 -12.613
  124   HD23  LEU  13          2HD2      LEU  13   2.866   7.267 -12.264
  Start of MODEL   33
    1    H1   GLU   1           1H       GLU   1  -7.058  -7.244  -0.167
    2    H2   GLU   1           2H       GLU   1  -6.069  -8.228   0.803
    3    H3   GLU   1           3H       GLU   1  -5.390  -6.949  -0.085
    4    HA   GLU   1           HA       GLU   1  -6.399  -5.318   1.267
    5    HB2  GLU   1           1HB      GLU   1  -8.567  -6.620   1.431
    6    HB3  GLU   1           2HB      GLU   1  -7.809  -7.584   2.700
    7    HG2  GLU   1           1HG      GLU   1  -9.026  -5.842   3.808
    8    HG3  GLU   1           2HG      GLU   1  -7.321  -5.408   3.914
    9    H    LEU   2           H        LEU   2  -4.313  -5.006   2.006
   10    HA   LEU   2           HA       LEU   2  -3.011  -6.929   3.727
   11    HB2  LEU   2           1HB      LEU   2  -2.241  -4.086   3.008
   12    HB3  LEU   2           2HB      LEU   2  -1.211  -5.249   3.840
   13    HG   LEU   2           HG       LEU   2  -2.394  -5.687   1.081
   14   HD11  LEU   2          1HD1      LEU   2  -0.830  -3.933   0.804
   15   HD12  LEU   2          2HD1      LEU   2   0.088  -5.388   0.423
   16   HD13  LEU   2          3HD1      LEU   2   0.280  -4.612   1.996
   17   HD21  LEU   2          3HD2      LEU   2  -0.573  -7.275   2.889
   18   HD22  LEU   2          1HD2      LEU   2  -0.391  -7.415   1.140
   19   HD23  LEU   2          2HD2      LEU   2  -1.922  -7.831   1.899
   20    H    TYR   3           H        TYR   3  -3.115  -7.035   5.870
   21    HA   TYR   3           HA       TYR   3  -4.919  -5.487   7.383
   22    HB2  TYR   3           1HB      TYR   3  -4.259  -7.735   8.058
   23    HB3  TYR   3           2HB      TYR   3  -2.590  -7.207   8.272
   24    HD1  TYR   3           HD2      TYR   3  -6.020  -7.032   9.607
   25    HD2  TYR   3           HD1      TYR   3  -1.932  -5.835  10.179
   26    HE1  TYR   3           HE2      TYR   3  -6.544  -6.351  11.932
   27    HE2  TYR   3           HE1      TYR   3  -2.459  -5.155  12.506
   28    HH   TYR   3           HH       TYR   3  -5.068  -6.122  14.153
   29    H    GLU   4           H        GLU   4  -1.369  -5.399   7.171
   30    HA   GLU   4           HA       GLU   4  -1.057  -3.226   8.992
   31    HB2  GLU   4           1HB      GLU   4   0.784  -4.315   6.849
   32    HB3  GLU   4           2HB      GLU   4   1.256  -3.126   8.064
   33    HG2  GLU   4           1HG      GLU   4   0.133  -5.861   8.728
   34    HG3  GLU   4           2HG      GLU   4   1.856  -5.499   8.661
   35    H    ASN   5           H        ASN   5  -0.566  -1.046   8.551
   36    HA   ASN   5           HA       ASN   5  -2.017   0.136   6.418
   37    HB2  ASN   5           1HB      ASN   5  -1.492   1.247   8.610
   38    HB3  ASN   5           2HB      ASN   5   0.177   1.415   8.063
   39   HD21  ASN   5          2HD2      ASN   5   0.149   3.736   7.866
   40   HD22  ASN   5          1HD2      ASN   5  -0.810   4.534   6.716
   41    H    LYS   6           H        LYS   6  -1.409   0.708   4.396
   42    HA   LYS   6           HA       LYS   6   0.737  -0.442   3.117
   43    HB2  LYS   6           1HB      LYS   6   0.028   2.230   2.016
   44    HB3  LYS   6           2HB      LYS   6  -0.029   0.643   1.247
   45    HG2  LYS   6           1HG      LYS   6  -2.094   0.139   2.608
   46    HG3  LYS   6           2HG      LYS   6  -2.082   1.824   3.134
   47    HD2  LYS   6           1HD      LYS   6  -2.254   2.583   0.815
   48    HD3  LYS   6           2HD      LYS   6  -2.166   0.917   0.241
   49    HE2  LYS   6           1HE      LYS   6  -4.499   1.682   0.281
   50    HE3  LYS   6           2HE      LYS   6  -4.255   0.393   1.460
   51    HZ1  LYS   6           3HZ      LYS   6  -3.742   3.012   2.517
   52    HZ2  LYS   6           1HZ      LYS   6  -4.698   1.758   3.143
   53    HZ3  LYS   6           2HZ      LYS   6  -5.342   2.818   1.981
   54    HA   PRO   7           HA       PRO   7   4.100   2.364   4.059
   55    HB2  PRO   7           1HB      PRO   7   5.771   1.948   2.050
   56    HB3  PRO   7           2HB      PRO   7   5.148   0.538   2.940
   57    HG2  PRO   7           1HG      PRO   7   4.321   1.591   0.269
   58    HG3  PRO   7           2HG      PRO   7   4.490  -0.089   0.812
   59    HD2  PRO   7           1HD      PRO   7   2.077   1.453   0.763
   60    HD3  PRO   7           2HD      PRO   7   2.296  -0.149   1.506
   61    H    ARG   8           H        ARG   8   5.033   3.060   0.909
   62    HA   ARG   8           HA       ARG   8   4.197   5.829   1.127
   63    HB2  ARG   8           1HB      ARG   8   5.645   6.194  -0.815
   64    HB3  ARG   8           2HB      ARG   8   6.510   5.261   0.405
   65    HG2  ARG   8           1HG      ARG   8   5.937   3.169  -0.801
   66    HG3  ARG   8           2HG      ARG   8   5.131   4.123  -2.046
   67    HD2  ARG   8           1HD      ARG   8   7.376   3.600  -2.801
   68    HD3  ARG   8           2HD      ARG   8   7.273   5.326  -2.462
   69    HE   ARG   8           HE       ARG   8   8.169   3.959  -0.147
   70   HH11  ARG   8          1HH2      ARG   8   9.144   4.876  -3.339
   71   HH12  ARG   8          2HH2      ARG   8  10.828   4.962  -2.948
   72   HH21  ARG   8          1HH1      ARG   8  10.374   4.077   0.373
   73   HH22  ARG   8          2HH1      ARG   8  11.525   4.512  -0.846
   74    H    ARG   9           H        ARG   9   3.940   6.350  -1.677
   75    HA   ARG   9           HA       ARG   9   1.198   5.787  -2.033
   76    HB2  ARG   9           1HB      ARG   9   3.122   6.383  -4.280
   77    HB3  ARG   9           2HB      ARG   9   1.408   6.780  -4.186
   78    HG2  ARG   9           1HG      ARG   9   3.547   7.944  -2.373
   79    HG3  ARG   9           2HG      ARG   9   2.865   8.759  -3.778
   80    HD2  ARG   9           1HD      ARG   9   0.580   8.444  -2.698
   81    HD3  ARG   9           2HD      ARG   9   1.434   7.949  -1.239
   82    HE   ARG   9           HE       ARG   9   2.494  10.412  -2.108
   83   HH11  ARG   9          1HH2      ARG   9  -0.406   9.019  -0.836
   84   HH12  ARG   9          2HH2      ARG   9  -0.895  10.454  -0.000
   85   HH21  ARG   9          1HH1      ARG   9   1.855  12.304  -1.023
   86   HH22  ARG   9          2HH1      ARG   9   0.384  12.315  -0.110
   87    HA   PRO  10           HA       PRO  10   1.942   1.412  -2.981
   88    HB2  PRO  10           1HB      PRO  10  -0.819   1.574  -4.136
   89    HB3  PRO  10           2HB      PRO  10  -0.146   0.405  -2.983
   90    HG2  PRO  10           1HG      PRO  10  -1.812   2.368  -2.220
   91    HG3  PRO  10           2HG      PRO  10  -0.510   1.773  -1.177
   92    HD2  PRO  10           1HD      PRO  10  -0.683   4.344  -2.682
   93    HD3  PRO  10           2HD      PRO  10   0.187   3.963  -1.180
   94    H    TYR  11           H        TYR  11   2.193   0.121  -4.905
   95    HA   TYR  11           HA       TYR  11   3.198   1.484  -7.131
   96    HB2  TYR  11           1HB      TYR  11   2.192  -1.367  -6.979
   97    HB3  TYR  11           2HB      TYR  11   3.244  -0.712  -8.234
   98    HD1  TYR  11           HD1      TYR  11   5.498   0.262  -7.555
   99    HD2  TYR  11           HD2      TYR  11   3.086  -2.111  -4.912
  100    HE1  TYR  11           HE1      TYR  11   7.482  -0.161  -6.127
  101    HE2  TYR  11           HE2      TYR  11   5.068  -2.534  -3.483
  102    HH   TYR  11           HH       TYR  11   7.467  -1.005  -3.171
  103    H    ILE  12           H        ILE  12   1.373   3.005  -7.460
  104    HA   ILE  12           HA       ILE  12  -1.111   2.108  -8.535
  105    HB   ILE  12           HB       ILE  12  -0.644   4.353  -7.450
  106   HG12  ILE  12          1HG1      ILE  12  -2.001   5.605  -9.360
  107   HG13  ILE  12          2HG1      ILE  12  -2.083   3.999 -10.080
  108   HG21  ILE  12          1HG2      ILE  12   0.393   6.086  -8.721
  109   HG22  ILE  12          2HG2      ILE  12   0.405   5.104 -10.187
  110   HG23  ILE  12          3HG2      ILE  12   1.468   4.693  -8.839
  111   HD11  ILE  12          3HD1      ILE  12  -2.842   3.320  -7.601
  112   HD12  ILE  12          1HD1      ILE  12  -3.998   3.950  -8.775
  113   HD13  ILE  12          2HD1      ILE  12  -3.315   5.017  -7.549
  114    H    LEU  13           H        LEU  13   1.918   3.247  -9.968
  115    HA   LEU  13           HA       LEU  13   2.575   3.435 -12.185
  116    HB2  LEU  13           1HB      LEU  13   1.623   0.611 -11.757
  117    HB3  LEU  13           2HB      LEU  13   2.245   1.102 -13.334
  118    HG   LEU  13           HG       LEU  13   4.355   1.807 -12.327
  119   HD11  LEU  13          1HD1      LEU  13   3.655   2.616 -10.183
  120   HD12  LEU  13          2HD1      LEU  13   4.707   1.236  -9.866
  121   HD13  LEU  13          3HD1      LEU  13   2.958   1.055  -9.750
  122   HD21  LEU  13          3HD2      LEU  13   5.198  -0.376 -11.686
  123   HD22  LEU  13          1HD2      LEU  13   3.981  -0.609 -12.942
  124   HD23  LEU  13          2HD2      LEU  13   3.578  -0.922 -11.255
  Start of MODEL   34
    1    H1   GLU   1           1H       GLU   1  -7.196  -8.742   9.929
    2    H2   GLU   1           2H       GLU   1  -6.783  -7.819  11.295
    3    H3   GLU   1           3H       GLU   1  -6.001  -9.298  10.996
    4    HA   GLU   1           HA       GLU   1  -5.335  -6.708  10.071
    5    HB2  GLU   1           1HB      GLU   1  -3.800  -8.399  11.066
    6    HB3  GLU   1           2HB      GLU   1  -4.038  -9.419   9.647
    7    HG2  GLU   1           1HG      GLU   1  -3.127  -7.655   8.202
    8    HG3  GLU   1           2HG      GLU   1  -2.929  -6.596   9.598
    9    H    LEU   2           H        LEU   2  -6.121  -5.852   8.246
   10    HA   LEU   2           HA       LEU   2  -7.054  -7.487   6.056
   11    HB2  LEU   2           1HB      LEU   2  -7.153  -5.042   4.987
   12    HB3  LEU   2           2HB      LEU   2  -8.343  -5.565   6.175
   13    HG   LEU   2           HG       LEU   2  -5.813  -4.311   7.208
   14   HD11  LEU   2          1HD1      LEU   2  -6.419  -2.764   5.431
   15   HD12  LEU   2          2HD1      LEU   2  -6.860  -2.052   6.984
   16   HD13  LEU   2          3HD1      LEU   2  -8.102  -2.767   5.956
   17   HD21  LEU   2          3HD2      LEU   2  -7.837  -5.276   8.569
   18   HD22  LEU   2          1HD2      LEU   2  -8.651  -3.784   8.101
   19   HD23  LEU   2          2HD2      LEU   2  -7.163  -3.718   9.044
   20    H    TYR   3           H        TYR   3  -6.297  -6.307   3.785
   21    HA   TYR   3           HA       TYR   3  -3.858  -7.416   3.121
   22    HB2  TYR   3           1HB      TYR   3  -5.204  -4.996   1.897
   23    HB3  TYR   3           2HB      TYR   3  -3.882  -5.897   1.153
   24    HD1  TYR   3           HD1      TYR   3  -4.199  -8.353   0.627
   25    HD2  TYR   3           HD2      TYR   3  -7.447  -5.795   1.791
   26    HE1  TYR   3           HE1      TYR   3  -5.820 -10.000  -0.276
   27    HE2  TYR   3           HE2      TYR   3  -9.067  -7.442   0.889
   28    HH   TYR   3           HH       TYR   3  -9.271  -9.651   0.236
   29    H    GLU   4           H        GLU   4  -1.886  -6.189   2.339
   30    HA   GLU   4           HA       GLU   4  -0.684  -4.852   4.526
   31    HB2  GLU   4           1HB      GLU   4   0.144  -5.090   1.626
   32    HB3  GLU   4           2HB      GLU   4   1.158  -4.380   2.882
   33    HG2  GLU   4           1HG      GLU   4   1.123  -6.475   4.142
   34    HG3  GLU   4           2HG      GLU   4   0.031  -7.193   2.958
   35    H    ASN   5           H        ASN   5  -0.325  -2.721   4.948
   36    HA   ASN   5           HA       ASN   5  -2.035  -0.799   3.618
   37    HB2  ASN   5           1HB      ASN   5  -0.059  -0.559   5.897
   38    HB3  ASN   5           2HB      ASN   5  -1.036   0.782   5.301
   39   HD21  ASN   5          2HD2      ASN   5  -1.138  -0.682   7.970
   40   HD22  ASN   5          1HD2      ASN   5  -2.752  -1.188   8.116
   41    H    LYS   6           H        LYS   6  -1.410   0.869   2.298
   42    HA   LYS   6           HA       LYS   6   0.825   0.575   0.667
   43    HB2  LYS   6           1HB      LYS   6  -0.749   3.082   1.287
   44    HB3  LYS   6           2HB      LYS   6   0.391   2.920  -0.048
   45    HG2  LYS   6           1HG      LYS   6  -0.960   1.328  -1.166
   46    HG3  LYS   6           2HG      LYS   6  -1.900   0.976   0.285
   47    HD2  LYS   6           1HD      LYS   6  -2.957   3.155   0.204
   48    HD3  LYS   6           2HD      LYS   6  -1.913   3.658  -1.127
   49    HE2  LYS   6           1HE      LYS   6  -4.059   3.013  -2.054
   50    HE3  LYS   6           2HE      LYS   6  -2.875   1.783  -2.500
   51    HZ1  LYS   6           3HZ      LYS   6  -4.544   0.479  -1.702
   52    HZ2  LYS   6           1HZ      LYS   6  -5.083   1.634  -0.583
   53    HZ3  LYS   6           2HZ      LYS   6  -3.682   0.730  -0.260
   54    HA   PRO   7           HA       PRO   7   3.942   2.514   3.252
   55    HB2  PRO   7           1HB      PRO   7   5.978   2.721   1.539
   56    HB3  PRO   7           2HB      PRO   7   5.333   1.113   1.933
   57    HG2  PRO   7           1HG      PRO   7   4.737   2.833  -0.449
   58    HG3  PRO   7           2HG      PRO   7   5.184   1.114  -0.400
   59    HD2  PRO   7           1HD      PRO   7   2.572   1.976  -0.574
   60    HD3  PRO   7           2HD      PRO   7   3.045   0.438   0.192
   61    H    ARG   8           H        ARG   8   5.372   4.092   0.629
   62    HA   ARG   8           HA       ARG   8   4.363   6.690   1.484
   63    HB2  ARG   8           1HB      ARG   8   6.514   5.849  -0.472
   64    HB3  ARG   8           2HB      ARG   8   6.021   7.529  -0.254
   65    HG2  ARG   8           1HG      ARG   8   6.613   7.422   2.121
   66    HG3  ARG   8           2HG      ARG   8   7.046   5.719   1.955
   67    HD2  ARG   8           1HD      ARG   8   8.812   6.311   0.350
   68    HD3  ARG   8           2HD      ARG   8   8.361   8.007   0.466
   69    HE   ARG   8           HE       ARG   8   9.279   8.085   2.654
   70   HH11  ARG   8          1HH2      ARG   8   9.509   4.936   1.199
   71   HH12  ARG   8          2HH2      ARG   8  10.727   4.379   2.294
   72   HH21  ARG   8          1HH1      ARG   8  10.869   7.342   4.081
   73   HH22  ARG   8          2HH1      ARG   8  11.494   5.735   3.921
   74    H    ARG   9           H        ARG   9   5.225   6.028  -1.786
   75    HA   ARG   9           HA       ARG   9   2.512   6.710  -2.674
   76    HB2  ARG   9           1HB      ARG   9   3.459   7.130  -4.839
   77    HB3  ARG   9           2HB      ARG   9   4.533   7.884  -3.669
   78    HG2  ARG   9           1HG      ARG   9   4.989   5.174  -4.977
   79    HG3  ARG   9           2HG      ARG   9   5.804   6.671  -5.402
   80    HD2  ARG   9           1HD      ARG   9   6.448   6.736  -2.854
   81    HD3  ARG   9           2HD      ARG   9   6.107   5.006  -2.924
   82    HE   ARG   9           HE       ARG   9   8.081   4.744  -4.096
   83   HH11  ARG   9          1HH2      ARG   9   6.984   8.020  -4.276
   84   HH12  ARG   9          2HH2      ARG   9   8.389   8.590  -5.113
   85   HH21  ARG   9          1HH1      ARG   9   9.927   5.483  -5.192
   86   HH22  ARG   9          2HH1      ARG   9  10.057   7.155  -5.630
   87    HA   PRO  10           HA       PRO  10   1.929   2.361  -3.159
   88    HB2  PRO  10           1HB      PRO  10  -0.219   2.282  -4.865
   89    HB3  PRO  10           2HB      PRO  10  -0.358   2.770  -3.163
   90    HG2  PRO  10           1HG      PRO  10  -0.160   4.487  -5.604
   91    HG3  PRO  10           2HG      PRO  10  -1.235   4.649  -4.203
   92    HD2  PRO  10           1HD      PRO  10   1.037   6.135  -4.463
   93    HD3  PRO  10           2HD      PRO  10   0.420   5.622  -2.876
   94    H    TYR  11           H        TYR  11   2.191   0.626  -4.680
   95    HA   TYR  11           HA       TYR  11   4.139   1.060  -6.655
   96    HB2  TYR  11           1HB      TYR  11   2.261  -1.278  -6.242
   97    HB3  TYR  11           2HB      TYR  11   3.640  -1.291  -7.341
   98    HD1  TYR  11           HD1      TYR  11   2.579  -1.226  -3.817
   99    HD2  TYR  11           HD2      TYR  11   5.936  -1.256  -6.496
  100    HE1  TYR  11           HE1      TYR  11   4.085  -1.775  -1.926
  101    HE2  TYR  11           HE2      TYR  11   7.440  -1.806  -4.605
  102    HH   TYR  11           HH       TYR  11   6.572  -3.057  -1.868
  103    H    ILE  12           H        ILE  12   0.660   1.144  -6.792
  104    HA   ILE  12           HA       ILE  12   0.299   0.761  -9.565
  105    HB   ILE  12           HB       ILE  12  -1.315   2.333  -7.542
  106   HG12  ILE  12          1HG1      ILE  12  -1.849  -0.359  -8.831
  107   HG13  ILE  12          2HG1      ILE  12  -1.040  -0.178  -7.274
  108   HG21  ILE  12          1HG2      ILE  12  -1.863   1.628 -10.435
  109   HG22  ILE  12          2HG2      ILE  12  -1.910   3.224  -9.685
  110   HG23  ILE  12          3HG2      ILE  12  -3.150   2.032  -9.301
  111   HD11  ILE  12          3HD1      ILE  12  -3.854   0.690  -7.988
  112   HD12  ILE  12          1HD1      ILE  12  -3.045   1.154  -6.492
  113   HD13  ILE  12          2HD1      ILE  12  -3.378  -0.545  -6.822
  114    H    LEU  13           H        LEU  13   0.857   3.688  -7.630
  115    HA   LEU  13           HA       LEU  13   1.652   5.758  -8.213
  116    HB2  LEU  13           1HB      LEU  13   3.206   4.147  -9.617
  117    HB3  LEU  13           2HB      LEU  13   2.303   4.788 -10.984
  118    HG   LEU  13           HG       LEU  13   4.271   6.154 -10.701
  119   HD11  LEU  13          1HD1      LEU  13   3.281   8.313 -10.541
  120   HD12  LEU  13          2HD1      LEU  13   2.018   7.736  -9.453
  121   HD13  LEU  13          3HD1      LEU  13   2.011   7.251 -11.150
  122   HD21  LEU  13          3HD2      LEU  13   4.297   5.495  -8.088
  123   HD22  LEU  13          1HD2      LEU  13   3.522   7.073  -7.942
  124   HD23  LEU  13          2HD2      LEU  13   5.108   6.934  -8.694
  Start of MODEL   35
    1    H1   GLU   1           1H       GLU   1  -2.677 -11.412   7.611
    2    H2   GLU   1           2H       GLU   1  -3.697 -12.038   8.816
    3    H3   GLU   1           3H       GLU   1  -2.308 -11.160   9.246
    4    HA   GLU   1           HA       GLU   1  -4.911 -10.215   8.357
    5    HB2  GLU   1           1HB      GLU   1  -4.049  -9.953  10.678
    6    HB3  GLU   1           2HB      GLU   1  -2.708  -8.994  10.049
    7    HG2  GLU   1           1HG      GLU   1  -4.297  -7.349   9.136
    8    HG3  GLU   1           2HG      GLU   1  -5.647  -8.312   9.736
    9    H    LEU   2           H        LEU   2  -5.182  -8.987   6.608
   10    HA   LEU   2           HA       LEU   2  -2.946  -8.156   4.998
   11    HB2  LEU   2           1HB      LEU   2  -5.897  -7.515   4.746
   12    HB3  LEU   2           2HB      LEU   2  -4.672  -7.211   3.515
   13    HG   LEU   2           HG       LEU   2  -5.362  -9.944   4.637
   14   HD11  LEU   2          1HD1      LEU   2  -7.216  -9.185   3.314
   15   HD12  LEU   2          2HD1      LEU   2  -6.281 -10.277   2.289
   16   HD13  LEU   2          3HD1      LEU   2  -6.143  -8.531   2.075
   17   HD21  LEU   2          3HD2      LEU   2  -3.354  -8.936   2.623
   18   HD22  LEU   2          1HD2      LEU   2  -4.053 -10.542   2.413
   19   HD23  LEU   2          2HD2      LEU   2  -3.156 -10.161   3.877
   20    H    TYR   3           H        TYR   3  -2.251  -6.061   4.563
   21    HA   TYR   3           HA       TYR   3  -2.432  -4.219   6.747
   22    HB2  TYR   3           1HB      TYR   3  -1.256  -3.926   3.973
   23    HB3  TYR   3           2HB      TYR   3  -1.070  -2.743   5.270
   24    HD1  TYR   3           HD1      TYR   3  -0.271  -6.195   4.190
   25    HD2  TYR   3           HD2      TYR   3   0.400  -3.145   7.139
   26    HE1  TYR   3           HE1      TYR   3   1.628  -7.500   5.108
   27    HE2  TYR   3           HE2      TYR   3   2.298  -4.450   8.057
   28    HH   TYR   3           HH       TYR   3   3.580  -6.245   7.816
   29    H    GLU   4           H        GLU   4  -4.101  -2.922   7.122
   30    HA   GLU   4           HA       GLU   4  -6.155  -2.401   5.226
   31    HB2  GLU   4           1HB      GLU   4  -6.513  -2.404   7.681
   32    HB3  GLU   4           2HB      GLU   4  -5.541  -0.938   7.804
   33    HG2  GLU   4           1HG      GLU   4  -7.118   0.261   6.358
   34    HG3  GLU   4           2HG      GLU   4  -8.073  -1.207   6.156
   35    H    ASN   5           H        ASN   5  -3.386  -0.533   6.395
   36    HA   ASN   5           HA       ASN   5  -4.041   1.695   4.592
   37    HB2  ASN   5           1HB      ASN   5  -2.235   2.872   5.737
   38    HB3  ASN   5           2HB      ASN   5  -3.357   2.190   6.916
   39   HD21  ASN   5          2HD2      ASN   5  -1.273   2.450   8.325
   40   HD22  ASN   5          1HD2      ASN   5  -0.202   1.134   8.335
   41    H    LYS   6           H        LYS   6  -2.204   2.641   3.341
   42    HA   LYS   6           HA       LYS   6  -1.076   0.647   1.634
   43    HB2  LYS   6           1HB      LYS   6   0.266   3.070   1.066
   44    HB3  LYS   6           2HB      LYS   6  -1.186   2.466   0.262
   45    HG2  LYS   6           1HG      LYS   6  -2.606   3.628   1.886
   46    HG3  LYS   6           2HG      LYS   6  -1.179   4.182   2.764
   47    HD2  LYS   6           1HD      LYS   6  -0.419   5.374   0.712
   48    HD3  LYS   6           2HD      LYS   6  -1.908   4.883  -0.095
   49    HE2  LYS   6           1HE      LYS   6  -2.343   7.076   0.720
   50    HE3  LYS   6           2HE      LYS   6  -3.148   5.995   1.857
   51    HZ1  LYS   6           3HZ      LYS   6  -1.154   7.876   2.388
   52    HZ2  LYS   6           1HZ      LYS   6  -0.490   6.341   2.674
   53    HZ3  LYS   6           2HZ      LYS   6  -1.910   6.814   3.478
   54    HA   PRO   7           HA       PRO   7   2.882   0.324   3.641
   55    HB2  PRO   7           1HB      PRO   7   4.472  -0.547   1.697
   56    HB3  PRO   7           2HB      PRO   7   3.004  -1.470   2.085
   57    HG2  PRO   7           1HG      PRO   7   3.441   0.522  -0.112
   58    HG3  PRO   7           2HG      PRO   7   2.721  -1.099  -0.204
   59    HD2  PRO   7           1HD      PRO   7   1.231   1.233   0.023
   60    HD3  PRO   7           2HD      PRO   7   0.660  -0.365   0.565
   61    H    ARG   8           H        ARG   8   4.808   1.001   0.964
   62    HA   ARG   8           HA       ARG   8   5.567   3.598   2.038
   63    HB2  ARG   8           1HB      ARG   8   6.747   1.727  -0.009
   64    HB3  ARG   8           2HB      ARG   8   7.276   3.407   0.053
   65    HG2  ARG   8           1HG      ARG   8   7.218   1.813   2.604
   66    HG3  ARG   8           2HG      ARG   8   8.541   1.563   1.467
   67    HD2  ARG   8           1HD      ARG   8   7.740   4.325   2.389
   68    HD3  ARG   8           2HD      ARG   8   8.909   3.348   3.273
   69    HE   ARG   8           HE       ARG   8   9.673   3.416   0.565
   70   HH11  ARG   8          1HH2      ARG   8   9.321   5.489   3.312
   71   HH12  ARG   8          2HH2      ARG   8  10.577   6.578   2.826
   72   HH21  ARG   8          1HH1      ARG   8  11.323   4.840  -0.080
   73   HH22  ARG   8          2HH1      ARG   8  11.710   6.210   0.905
   74    H    ARG   9           H        ARG   9   6.092   3.362  -1.245
   75    HA   ARG   9           HA       ARG   9   3.986   5.319  -1.859
   76    HB2  ARG   9           1HB      ARG   9   6.611   4.538  -3.111
   77    HB3  ARG   9           2HB      ARG   9   5.423   5.493  -4.001
   78    HG2  ARG   9           1HG      ARG   9   5.697   7.361  -2.646
   79    HG3  ARG   9           2HG      ARG   9   6.115   6.405  -1.224
   80    HD2  ARG   9           1HD      ARG   9   8.034   7.724  -2.204
   81    HD3  ARG   9           2HD      ARG   9   8.333   5.995  -2.046
   82    HE   ARG   9           HE       ARG   9   7.275   6.555  -4.621
   83   HH11  ARG   9          1HH2      ARG   9  10.102   6.946  -2.663
   84   HH12  ARG   9          2HH2      ARG   9  11.198   6.944  -4.003
   85   HH21  ARG   9          1HH1      ARG   9   8.708   6.551  -6.383
   86   HH22  ARG   9          2HH1      ARG   9  10.410   6.721  -6.110
   87    HA   PRO  10           HA       PRO  10   2.138   1.475  -3.562
   88    HB2  PRO  10           1HB      PRO  10  -0.051   3.347  -4.375
   89    HB3  PRO  10           2HB      PRO  10  -0.151   1.818  -3.480
   90    HG2  PRO  10           1HG      PRO  10  -0.467   4.178  -2.262
   91    HG3  PRO  10           2HG      PRO  10   0.335   2.814  -1.462
   92    HD2  PRO  10           1HD      PRO  10   1.560   5.268  -2.679
   93    HD3  PRO  10           2HD      PRO  10   2.039   4.357  -1.230
   94    H    TYR  11           H        TYR  11   2.024   0.679  -5.687
   95    HA   TYR  11           HA       TYR  11   3.501   1.944  -7.680
   96    HB2  TYR  11           1HB      TYR  11   2.656   0.250  -9.194
   97    HB3  TYR  11           2HB      TYR  11   2.939  -0.492  -7.619
   98    HD1  TYR  11           HD1      TYR  11   1.065  -1.118  -6.160
   99    HD2  TYR  11           HD2      TYR  11   0.398   0.606 -10.037
  100    HE1  TYR  11           HE1      TYR  11  -1.312  -1.820  -6.064
  101    HE2  TYR  11           HE2      TYR  11  -1.978  -0.095  -9.941
  102    HH   TYR  11           HH       TYR  11  -3.157  -2.341  -8.095
  103    H    ILE  12           H        ILE  12   3.084   3.600  -8.985
  104    HA   ILE  12           HA       ILE  12   0.282   4.235  -9.701
  105    HB   ILE  12           HB       ILE  12   1.040   5.712  -7.834
  106   HG12  ILE  12          1HG1      ILE  12   0.828   7.219 -10.456
  107   HG13  ILE  12          2HG1      ILE  12  -0.552   6.430  -9.690
  108   HG21  ILE  12          1HG2      ILE  12   2.864   7.222  -8.127
  109   HG22  ILE  12          2HG2      ILE  12   3.000   6.841  -9.844
  110   HG23  ILE  12          3HG2      ILE  12   3.473   5.646  -8.636
  111   HD11  ILE  12          3HD1      ILE  12  -0.206   7.778  -7.657
  112   HD12  ILE  12          1HD1      ILE  12  -0.430   8.819  -9.064
  113   HD13  ILE  12          2HD1      ILE  12   1.187   8.559  -8.407
  114    H    LEU  13           H        LEU  13  -0.001   4.676 -11.801
  115    HA   LEU  13           HA       LEU  13   2.131   5.739 -13.445
  116    HB2  LEU  13           1HB      LEU  13   2.678   3.324 -13.397
  117    HB3  LEU  13           2HB      LEU  13   1.061   2.955 -13.988
  118    HG   LEU  13           HG       LEU  13   1.524   4.267 -16.045
  119   HD11  LEU  13          1HD1      LEU  13   4.114   4.709 -16.363
  120   HD12  LEU  13          2HD1      LEU  13   4.115   4.781 -14.600
  121   HD13  LEU  13          3HD1      LEU  13   3.114   5.897 -15.531
  122   HD21  LEU  13          3HD2      LEU  13   2.011   1.810 -15.880
  123   HD22  LEU  13          1HD2      LEU  13   3.682   2.211 -15.482
  124   HD23  LEU  13          2HD2      LEU  13   3.022   2.644 -17.060
  Start of MODEL   36
    1    H1   GLU   1           1H       GLU   1  -5.559 -10.322  10.268
    2    H2   GLU   1           2H       GLU   1  -4.414 -11.531   9.933
    3    H3   GLU   1           3H       GLU   1  -6.066 -11.821   9.660
    4    HA   GLU   1           HA       GLU   1  -4.848 -11.391   7.593
    5    HB2  GLU   1           1HB      GLU   1  -6.375  -9.380   6.923
    6    HB3  GLU   1           2HB      GLU   1  -7.137 -10.890   7.418
    7    HG2  GLU   1           1HG      GLU   1  -6.537  -8.703   9.415
    8    HG3  GLU   1           2HG      GLU   1  -8.030  -8.709   8.477
    9    H    LEU   2           H        LEU   2  -3.944  -9.655   6.233
   10    HA   LEU   2           HA       LEU   2  -1.883  -8.227   7.624
   11    HB2  LEU   2           1HB      LEU   2  -2.740  -8.071   4.722
   12    HB3  LEU   2           2HB      LEU   2  -1.243  -7.422   5.390
   13    HG   LEU   2           HG       LEU   2  -2.047 -10.346   5.440
   14   HD11  LEU   2          1HD1      LEU   2   0.037  -8.902   3.772
   15   HD12  LEU   2          2HD1      LEU   2  -1.511  -9.497   3.171
   16   HD13  LEU   2          3HD1      LEU   2  -0.293 -10.634   3.747
   17   HD21  LEU   2          3HD2      LEU   2   0.551 -10.440   5.975
   18   HD22  LEU   2          1HD2      LEU   2  -0.604 -10.127   7.267
   19   HD23  LEU   2          2HD2      LEU   2   0.288  -8.791   6.540
   20    H    TYR   3           H        TYR   3  -1.521  -5.914   7.474
   21    HA   TYR   3           HA       TYR   3  -3.823  -4.421   8.232
   22    HB2  TYR   3           1HB      TYR   3  -1.017  -3.536   7.524
   23    HB3  TYR   3           2HB      TYR   3  -2.253  -2.482   8.214
   24    HD1  TYR   3           HD2      TYR   3  -0.115  -5.438   8.831
   25    HD2  TYR   3           HD1      TYR   3  -2.910  -2.656  10.532
   26    HE1  TYR   3           HE2      TYR   3   0.455  -6.254  11.101
   27    HE2  TYR   3           HE1      TYR   3  -2.341  -3.474  12.803
   28    HH   TYR   3           HH       TYR   3   0.250  -5.835  13.308
   29    H    GLU   4           H        GLU   4  -5.056  -2.995   7.115
   30    HA   GLU   4           HA       GLU   4  -5.023  -3.174   4.232
   31    HB2  GLU   4           1HB      GLU   4  -6.782  -1.663   6.174
   32    HB3  GLU   4           2HB      GLU   4  -7.018  -1.653   4.425
   33    HG2  GLU   4           1HG      GLU   4  -7.281  -4.084   4.415
   34    HG3  GLU   4           2HG      GLU   4  -6.963  -4.147   6.147
   35    H    ASN   5           H        ASN   5  -3.339  -1.304   6.402
   36    HA   ASN   5           HA       ASN   5  -3.480   1.275   5.229
   37    HB2  ASN   5           1HB      ASN   5  -1.283  -0.062   6.825
   38    HB3  ASN   5           2HB      ASN   5  -1.294   1.644   6.386
   39   HD21  ASN   5          2HD2      ASN   5  -4.443   1.373   6.742
   40   HD22  ASN   5          1HD2      ASN   5  -4.623   1.561   8.419
   41    H    LYS   6           H        LYS   6  -2.499   2.132   3.484
   42    HA   LYS   6           HA       LYS   6  -1.510   0.620   1.408
   43    HB2  LYS   6           1HB      LYS   6  -0.176   3.249   1.515
   44    HB3  LYS   6           2HB      LYS   6  -1.345   2.634   0.343
   45    HG2  LYS   6           1HG      LYS   6  -3.160   3.073   2.041
   46    HG3  LYS   6           2HG      LYS   6  -1.950   3.884   3.034
   47    HD2  LYS   6           1HD      LYS   6  -1.437   5.327   0.987
   48    HD3  LYS   6           2HD      LYS   6  -2.907   4.664   0.273
   49    HE2  LYS   6           1HE      LYS   6  -4.079   5.400   2.455
   50    HE3  LYS   6           2HE      LYS   6  -2.637   6.373   2.745
   51    HZ1  LYS   6           3HZ      LYS   6  -4.010   7.808   1.598
   52    HZ2  LYS   6           1HZ      LYS   6  -4.618   6.598   0.578
   53    HZ3  LYS   6           2HZ      LYS   6  -3.039   7.182   0.352
   54    HA   PRO   7           HA       PRO   7   2.714  -0.166   2.596
   55    HB2  PRO   7           1HB      PRO   7   3.902  -0.641   0.284
   56    HB3  PRO   7           2HB      PRO   7   2.413  -1.534   0.654
   57    HG2  PRO   7           1HG      PRO   7   2.747   0.931  -1.018
   58    HG3  PRO   7           2HG      PRO   7   1.884  -0.575  -1.413
   59    HD2  PRO   7           1HD      PRO   7   0.648   1.692  -0.367
   60    HD3  PRO   7           2HD      PRO   7   0.004   0.039  -0.199
   61    H    ARG   8           H        ARG   8   4.511   0.916   0.083
   62    HA   ARG   8           HA       ARG   8   5.310   3.337   1.488
   63    HB2  ARG   8           1HB      ARG   8   6.990   1.705   0.550
   64    HB3  ARG   8           2HB      ARG   8   6.452   2.163  -1.063
   65    HG2  ARG   8           1HG      ARG   8   7.035   4.540  -0.537
   66    HG3  ARG   8           2HG      ARG   8   7.662   4.005   1.021
   67    HD2  ARG   8           1HD      ARG   8   8.645   2.969  -1.649
   68    HD3  ARG   8           2HD      ARG   8   9.434   4.251  -0.734
   69    HE   ARG   8           HE       ARG   8   9.208   2.171   1.049
   70   HH11  ARG   8          1HH2      ARG   8  10.542   2.630  -2.113
   71   HH12  ARG   8          2HH2      ARG   8  11.784   1.441  -1.909
   72   HH21  ARG   8          1HH1      ARG   8  10.839   0.622   1.324
   73   HH22  ARG   8          2HH1      ARG   8  11.954   0.305   0.036
   74    H    ARG   9           H        ARG   9   5.792   3.567  -1.837
   75    HA   ARG   9           HA       ARG   9   3.671   5.589  -2.092
   76    HB2  ARG   9           1HB      ARG   9   6.141   4.960  -3.718
   77    HB3  ARG   9           2HB      ARG   9   4.921   6.122  -4.235
   78    HG2  ARG   9           1HG      ARG   9   6.005   6.436  -1.452
   79    HG3  ARG   9           2HG      ARG   9   7.077   6.860  -2.785
   80    HD2  ARG   9           1HD      ARG   9   5.818   8.830  -2.060
   81    HD3  ARG   9           2HD      ARG   9   5.349   8.374  -3.695
   82    HE   ARG   9           HE       ARG   9   3.686   7.297  -1.549
   83   HH11  ARG   9          1HH2      ARG   9   4.238   9.775  -3.903
   84   HH12  ARG   9          2HH2      ARG   9   2.582  10.276  -3.964
   85   HH21  ARG   9          1HH1      ARG   9   1.510   7.941  -1.637
   86   HH22  ARG   9          2HH1      ARG   9   1.039   9.241  -2.682
   87    HA   PRO  10           HA       PRO  10   1.582   2.052  -4.107
   88    HB2  PRO  10           1HB      PRO  10  -0.411   4.163  -4.845
   89    HB3  PRO  10           2HB      PRO  10  -0.675   2.583  -4.084
   90    HG2  PRO  10           1HG      PRO  10  -0.820   4.865  -2.691
   91    HG3  PRO  10           2HG      PRO  10  -0.196   3.366  -1.977
   92    HD2  PRO  10           1HD      PRO  10   1.311   5.793  -2.882
   93    HD3  PRO  10           2HD      PRO  10   1.667   4.661  -1.557
   94    H    TYR  11           H        TYR  11   1.553   1.361  -6.238
   95    HA   TYR  11           HA       TYR  11   3.144   2.561  -8.147
   96    HB2  TYR  11           1HB      TYR  11   2.111   1.057  -9.769
   97    HB3  TYR  11           2HB      TYR  11   2.369   0.211  -8.244
   98    HD1  TYR  11           HD1      TYR  11   0.457  -0.162  -6.678
   99    HD2  TYR  11           HD2      TYR  11  -0.100   1.476 -10.610
  100    HE1  TYR  11           HE1      TYR  11  -1.965  -0.678  -6.549
  101    HE2  TYR  11           HE2      TYR  11  -2.525   0.962 -10.479
  102    HH   TYR  11           HH       TYR  11  -3.897  -1.012  -8.892
  103    H    ILE  12           H        ILE  12   2.952   4.399  -9.226
  104    HA   ILE  12           HA       ILE  12   0.266   5.326 -10.061
  105    HB   ILE  12           HB       ILE  12   1.312   6.541  -8.024
  106   HG12  ILE  12          1HG1      ILE  12   0.597   8.781  -8.924
  107   HG13  ILE  12          2HG1      ILE  12   0.468   8.054 -10.518
  108   HG21  ILE  12          1HG2      ILE  12   3.040   8.116  -8.418
  109   HG22  ILE  12          2HG2      ILE  12   2.915   7.937 -10.168
  110   HG23  ILE  12          3HG2      ILE  12   3.594   6.632  -9.196
  111   HD11  ILE  12          3HD1      ILE  12  -0.989   6.675  -8.302
  112   HD12  ILE  12          1HD1      ILE  12  -1.450   6.903  -9.989
  113   HD13  ILE  12          2HD1      ILE  12  -1.626   8.225  -8.841
  114    H    LEU  13           H        LEU  13   3.027   4.099 -11.117
  115    HA   LEU  13           HA       LEU  13   4.261   5.689 -12.951
  116    HB2  LEU  13           1HB      LEU  13   3.335   2.859 -13.507
  117    HB3  LEU  13           2HB      LEU  13   4.676   3.697 -14.285
  118    HG   LEU  13           HG       LEU  13   4.499   3.071 -11.321
  119   HD11  LEU  13          1HD1      LEU  13   4.816   1.079 -12.815
  120   HD12  LEU  13          2HD1      LEU  13   6.191   1.383 -11.755
  121   HD13  LEU  13          3HD1      LEU  13   6.270   1.845 -13.455
  122   HD21  LEU  13          3HD2      LEU  13   6.511   4.513 -13.048
  123   HD22  LEU  13          1HD2      LEU  13   7.047   3.660 -11.600
  124   HD23  LEU  13          2HD2      LEU  13   5.878   4.970 -11.467
  Start of MODEL   37
    1    H1   GLU   1           1H       GLU   1  -2.332 -11.375   6.254
    2    H2   GLU   1           2H       GLU   1  -3.955 -10.874   6.200
    3    H3   GLU   1           3H       GLU   1  -3.461 -12.045   7.327
    4    HA   GLU   1           HA       GLU   1  -3.770  -9.893   8.387
    5    HB2  GLU   1           1HB      GLU   1  -1.458  -9.754   9.379
    6    HB3  GLU   1           2HB      GLU   1  -2.135 -11.384   9.367
    7    HG2  GLU   1           1HG      GLU   1  -0.893 -11.880   7.289
    8    HG3  GLU   1           2HG      GLU   1  -0.199 -10.260   7.319
    9    H    LEU   2           H        LEU   2  -4.055  -8.947   5.886
   10    HA   LEU   2           HA       LEU   2  -1.892  -7.257   5.039
   11    HB2  LEU   2           1HB      LEU   2  -4.826  -7.325   4.305
   12    HB3  LEU   2           2HB      LEU   2  -3.647  -6.264   3.540
   13    HG   LEU   2           HG       LEU   2  -3.372  -9.283   3.642
   14   HD11  LEU   2          1HD1      LEU   2  -5.324  -8.854   2.339
   15   HD12  LEU   2          2HD1      LEU   2  -4.017  -9.082   1.175
   16   HD13  LEU   2          3HD1      LEU   2  -4.583  -7.455   1.561
   17   HD21  LEU   2          3HD2      LEU   2  -1.825  -7.034   2.355
   18   HD22  LEU   2          1HD2      LEU   2  -1.871  -8.609   1.561
   19   HD23  LEU   2          2HD2      LEU   2  -1.224  -8.465   3.191
   20    H    TYR   3           H        TYR   3  -1.647  -5.060   5.292
   21    HA   TYR   3           HA       TYR   3  -2.822  -3.915   7.673
   22    HB2  TYR   3           1HB      TYR   3  -0.887  -2.807   5.626
   23    HB3  TYR   3           2HB      TYR   3  -1.380  -1.956   7.090
   24    HD1  TYR   3           HD1      TYR   3   0.377  -4.952   5.787
   25    HD2  TYR   3           HD2      TYR   3  -0.539  -2.581   9.250
   26    HE1  TYR   3           HE1      TYR   3   2.086  -6.193   7.088
   27    HE2  TYR   3           HE2      TYR   3   1.167  -3.824  10.553
   28    HH   TYR   3           HH       TYR   3   3.475  -5.239   9.676
   29    H    GLU   4           H        GLU   4  -4.298  -2.269   7.800
   30    HA   GLU   4           HA       GLU   4  -6.133  -1.943   5.663
   31    HB2  GLU   4           1HB      GLU   4  -7.220  -0.293   7.097
   32    HB3  GLU   4           2HB      GLU   4  -6.759  -1.709   8.039
   33    HG2  GLU   4           1HG      GLU   4  -5.906  -0.099   9.457
   34    HG3  GLU   4           2HG      GLU   4  -4.511  -0.243   8.393
   35    H    ASN   5           H        ASN   5  -3.428   0.004   6.837
   36    HA   ASN   5           HA       ASN   5  -3.954   2.100   4.856
   37    HB2  ASN   5           1HB      ASN   5  -2.130   3.287   5.908
   38    HB3  ASN   5           2HB      ASN   5  -3.189   2.660   7.170
   39   HD21  ASN   5          2HD2      ASN   5  -0.408   3.281   7.647
   40   HD22  ASN   5          1HD2      ASN   5   0.396   1.826   7.992
   41    H    LYS   6           H        LYS   6  -2.813   2.388   3.005
   42    HA   LYS   6           HA       LYS   6  -1.528   0.286   1.750
   43    HB2  LYS   6           1HB      LYS   6  -1.512   3.260   1.326
   44    HB3  LYS   6           2HB      LYS   6  -0.416   2.262   0.369
   45    HG2  LYS   6           1HG      LYS   6  -2.549   2.592  -0.821
   46    HG3  LYS   6           2HG      LYS   6  -2.344   0.896  -0.385
   47    HD2  LYS   6           1HD      LYS   6  -3.837   1.123   1.498
   48    HD3  LYS   6           2HD      LYS   6  -3.909   2.873   1.293
   49    HE2  LYS   6           1HE      LYS   6  -5.915   1.689   0.368
   50    HE3  LYS   6           2HE      LYS   6  -5.040   2.625  -0.846
   51    HZ1  LYS   6           3HZ      LYS   6  -4.892  -0.303  -0.394
   52    HZ2  LYS   6           1HZ      LYS   6  -3.849   0.545  -1.428
   53    HZ3  LYS   6           2HZ      LYS   6  -5.516   0.497  -1.756
   54    HA   PRO   7           HA       PRO   7   2.567   0.477   3.523
   55    HB2  PRO   7           1HB      PRO   7   3.988  -0.965   1.786
   56    HB3  PRO   7           2HB      PRO   7   2.610  -1.716   2.621
   57    HG2  PRO   7           1HG      PRO   7   2.734  -0.576  -0.148
   58    HG3  PRO   7           2HG      PRO   7   2.046  -2.119   0.397
   59    HD2  PRO   7           1HD      PRO   7   0.542   0.180  -0.014
   60    HD3  PRO   7           2HD      PRO   7   0.069  -1.137   1.089
   61    H    ARG   8           H        ARG   8   4.113   0.261   0.509
   62    HA   ARG   8           HA       ARG   8   5.036   3.011   0.658
   63    HB2  ARG   8           1HB      ARG   8   6.541   0.995   0.143
   64    HB3  ARG   8           2HB      ARG   8   5.737   0.932  -1.425
   65    HG2  ARG   8           1HG      ARG   8   6.480   3.197  -1.944
   66    HG3  ARG   8           2HG      ARG   8   7.183   3.368  -0.335
   67    HD2  ARG   8           1HD      ARG   8   8.680   1.429  -0.852
   68    HD3  ARG   8           2HD      ARG   8   8.038   1.420  -2.493
   69    HE   ARG   8           HE       ARG   8   9.051   4.001  -1.722
   70   HH11  ARG   8          1HH2      ARG   8   9.874   0.837  -2.857
   71   HH12  ARG   8          2HH2      ARG   8  11.316   1.353  -3.666
   72   HH21  ARG   8          1HH1      ARG   8  10.938   4.685  -2.781
   73   HH22  ARG   8          2HH1      ARG   8  11.922   3.531  -3.620
   74    H    ARG   9           H        ARG   9   5.044   4.205  -1.580
   75    HA   ARG   9           HA       ARG   9   2.375   4.564  -2.377
   76    HB2  ARG   9           1HB      ARG   9   4.914   5.168  -3.915
   77    HB3  ARG   9           2HB      ARG   9   3.322   5.826  -4.284
   78    HG2  ARG   9           1HG      ARG   9   4.442   6.176  -1.506
   79    HG3  ARG   9           2HG      ARG   9   5.025   7.216  -2.802
   80    HD2  ARG   9           1HD      ARG   9   2.115   6.861  -2.027
   81    HD3  ARG   9           2HD      ARG   9   3.119   8.245  -1.612
   82    HE   ARG   9           HE       ARG   9   1.927   7.691  -4.192
   83   HH11  ARG   9          1HH2      ARG   9   4.445   9.284  -2.435
   84   HH12  ARG   9          2HH2      ARG   9   4.708  10.501  -3.639
   85   HH21  ARG   9          1HH1      ARG   9   2.271   9.275  -5.782
   86   HH22  ARG   9          2HH1      ARG   9   3.485  10.488  -5.541
   87    HA   PRO  10           HA       PRO  10   2.180   0.546  -4.497
   88    HB2  PRO  10           1HB      PRO  10  -0.270   1.791  -5.715
   89    HB3  PRO  10           2HB      PRO  10  -0.069   0.191  -4.972
   90    HG2  PRO  10           1HG      PRO  10  -1.298   2.163  -3.679
   91    HG3  PRO  10           2HG      PRO  10  -0.240   1.022  -2.826
   92    HD2  PRO  10           1HD      PRO  10   0.287   3.872  -3.593
   93    HD3  PRO  10           2HD      PRO  10   0.836   2.958  -2.173
   94    H    TYR  11           H        TYR  11   1.149   0.206  -7.042
   95    HA   TYR  11           HA       TYR  11   3.258   1.162  -8.700
   96    HB2  TYR  11           1HB      TYR  11   0.654  -0.212  -9.393
   97    HB3  TYR  11           2HB      TYR  11   1.968   0.080 -10.532
   98    HD1  TYR  11           HD1      TYR  11   0.983  -1.731  -7.455
   99    HD2  TYR  11           HD2      TYR  11   4.000  -1.216 -10.469
  100    HE1  TYR  11           HE1      TYR  11   2.120  -3.790  -6.668
  101    HE2  TYR  11           HE2      TYR  11   5.138  -3.274  -9.682
  102    HH   TYR  11           HH       TYR  11   3.773  -5.226  -7.027
  103    H    ILE  12           H        ILE  12   1.206   3.119  -7.428
  104    HA   ILE  12           HA       ILE  12  -0.085   4.352  -9.681
  105    HB   ILE  12           HB       ILE  12  -0.558   6.190  -8.047
  106   HG12  ILE  12          1HG1      ILE  12   0.849   4.359  -6.080
  107   HG13  ILE  12          2HG1      ILE  12   1.574   5.826  -6.740
  108   HG21  ILE  12          1HG2      ILE  12  -2.144   4.379  -8.243
  109   HG22  ILE  12          2HG2      ILE  12  -1.945   4.729  -6.528
  110   HG23  ILE  12          3HG2      ILE  12  -1.146   3.330  -7.240
  111   HD11  ILE  12          3HD1      ILE  12  -0.341   7.141  -5.844
  112   HD12  ILE  12          1HD1      ILE  12   0.562   6.320  -4.571
  113   HD13  ILE  12          2HD1      ILE  12  -0.982   5.668  -5.117
  114    H    LEU  13           H        LEU  13   2.522   4.046 -10.396
  115    HA   LEU  13           HA       LEU  13   4.430   5.908  -9.881
  116    HB2  LEU  13           1HB      LEU  13   4.264   4.018 -11.718
  117    HB3  LEU  13           2HB      LEU  13   3.771   5.344 -12.761
  118    HG   LEU  13           HG       LEU  13   6.153   5.106 -12.987
  119   HD11  LEU  13          1HD1      LEU  13   5.156   7.433 -12.730
  120   HD12  LEU  13          2HD1      LEU  13   6.889   7.305 -12.440
  121   HD13  LEU  13          3HD1      LEU  13   5.776   7.418 -11.078
  122   HD21  LEU  13          3HD2      LEU  13   6.257   3.996 -10.552
  123   HD22  LEU  13          1HD2      LEU  13   6.706   5.635 -10.082
  124   HD23  LEU  13          2HD2      LEU  13   7.668   4.763 -11.271
  Start of MODEL   38
    1    H1   GLU   1           1H       GLU   1  -2.964  -8.098   8.786
    2    H2   GLU   1           2H       GLU   1  -1.945  -8.884   9.895
    3    H3   GLU   1           3H       GLU   1  -3.092  -9.773   9.009
    4    HA   GLU   1           HA       GLU   1  -0.484  -8.769   8.202
    5    HB2  GLU   1           1HB      GLU   1  -0.989 -11.175   8.593
    6    HB3  GLU   1           2HB      GLU   1  -2.196 -11.107   7.308
    7    HG2  GLU   1           1HG      GLU   1  -0.470 -10.499   5.681
    8    HG3  GLU   1           2HG      GLU   1   0.750 -10.476   6.953
    9    H    LEU   2           H        LEU   2  -3.778  -8.462   7.313
   10    HA   LEU   2           HA       LEU   2  -3.378  -8.031   4.499
   11    HB2  LEU   2           1HB      LEU   2  -5.700  -7.209   6.258
   12    HB3  LEU   2           2HB      LEU   2  -5.710  -7.343   4.500
   13    HG   LEU   2           HG       LEU   2  -5.166  -9.639   6.407
   14   HD11  LEU   2          1HD1      LEU   2  -7.504  -8.853   6.527
   15   HD12  LEU   2          2HD1      LEU   2  -7.412 -10.426   5.737
   16   HD13  LEU   2          3HD1      LEU   2  -7.637  -8.967   4.772
   17   HD21  LEU   2          3HD2      LEU   2  -5.713 -10.901   4.162
   18   HD22  LEU   2          1HD2      LEU   2  -4.103 -10.226   4.394
   19   HD23  LEU   2          2HD2      LEU   2  -5.283  -9.370   3.401
   20    H    TYR   3           H        TYR   3  -3.177  -6.120   3.396
   21    HA   TYR   3           HA       TYR   3  -2.165  -3.859   4.895
   22    HB2  TYR   3           1HB      TYR   3  -2.615  -4.258   1.928
   23    HB3  TYR   3           2HB      TYR   3  -1.808  -2.866   2.650
   24    HD1  TYR   3           HD1      TYR   3  -1.570  -6.471   1.935
   25    HD2  TYR   3           HD2      TYR   3   0.398  -3.073   3.681
   26    HE1  TYR   3           HE1      TYR   3   0.563  -7.736   1.996
   27    HE2  TYR   3           HE2      TYR   3   2.529  -4.339   3.741
   28    HH   TYR   3           HH       TYR   3   2.896  -7.323   3.725
   29    H    GLU   4           H        GLU   4  -3.939  -3.059   6.055
   30    HA   GLU   4           HA       GLU   4  -6.461  -2.468   4.881
   31    HB2  GLU   4           1HB      GLU   4  -5.107  -1.418   7.376
   32    HB3  GLU   4           2HB      GLU   4  -6.772  -1.041   6.927
   33    HG2  GLU   4           1HG      GLU   4  -7.347  -3.422   6.951
   34    HG3  GLU   4           2HG      GLU   4  -5.675  -3.840   7.323
   35    H    ASN   5           H        ASN   5  -3.521  -0.582   5.425
   36    HA   ASN   5           HA       ASN   5  -4.647   1.610   3.763
   37    HB2  ASN   5           1HB      ASN   5  -2.634   1.722   6.021
   38    HB3  ASN   5           2HB      ASN   5  -3.032   3.082   4.974
   39   HD21  ASN   5          2HD2      ASN   5  -5.951   1.974   4.921
   40   HD22  ASN   5          1HD2      ASN   5  -6.596   2.524   6.390
   41    H    LYS   6           H        LYS   6  -2.417   3.002   3.183
   42    HA   LYS   6           HA       LYS   6  -1.180   1.382   1.177
   43    HB2  LYS   6           1HB      LYS   6  -0.066   4.056   2.003
   44    HB3  LYS   6           2HB      LYS   6  -0.193   3.353   0.394
   45    HG2  LYS   6           1HG      LYS   6  -2.501   4.374   2.078
   46    HG3  LYS   6           2HG      LYS   6  -1.838   5.145   0.639
   47    HD2  LYS   6           1HD      LYS   6  -2.425   3.085  -0.668
   48    HD3  LYS   6           2HD      LYS   6  -3.228   2.453   0.769
   49    HE2  LYS   6           1HE      LYS   6  -4.809   3.594  -0.794
   50    HE3  LYS   6           2HE      LYS   6  -4.762   4.345   0.801
   51    HZ1  LYS   6           3HZ      LYS   6  -3.649   6.160   0.019
   52    HZ2  LYS   6           1HZ      LYS   6  -4.563   5.776  -1.357
   53    HZ3  LYS   6           2HZ      LYS   6  -2.929   5.319  -1.270
   54    HA   PRO   7           HA       PRO   7   2.364   0.251   3.664
   55    HB2  PRO   7           1HB      PRO   7   4.001  -0.764   1.840
   56    HB3  PRO   7           2HB      PRO   7   2.367  -1.448   1.977
   57    HG2  PRO   7           1HG      PRO   7   3.361   0.630   0.058
   58    HG3  PRO   7           2HG      PRO   7   2.479  -0.875  -0.294
   59    HD2  PRO   7           1HD      PRO   7   1.223   1.565  -0.037
   60    HD3  PRO   7           2HD      PRO   7   0.430   0.017   0.351
   61    H    ARG   8           H        ARG   8   4.845   0.663   1.571
   62    HA   ARG   8           HA       ARG   8   5.571   3.252   2.686
   63    HB2  ARG   8           1HB      ARG   8   7.264   1.434   2.583
   64    HB3  ARG   8           2HB      ARG   8   7.134   1.433   0.828
   65    HG2  ARG   8           1HG      ARG   8   7.840   3.808   0.783
   66    HG3  ARG   8           2HG      ARG   8   8.000   3.781   2.541
   67    HD2  ARG   8           1HD      ARG   8   9.502   1.925   0.678
   68    HD3  ARG   8           2HD      ARG   8  10.168   3.422   1.320
   69    HE   ARG   8           HE       ARG   8   9.235   1.911   3.489
   70   HH11  ARG   8          1HH2      ARG   8  11.607   1.761   0.972
   71   HH12  ARG   8          2HH2      ARG   8  12.733   0.827   1.902
   72   HH21  ARG   8          1HH1      ARG   8  10.707   0.689   4.711
   73   HH22  ARG   8          2HH1      ARG   8  12.224   0.221   4.017
   74    H    ARG   9           H        ARG   9   6.380   2.206  -0.549
   75    HA   ARG   9           HA       ARG   9   5.166   4.645  -1.643
   76    HB2  ARG   9           1HB      ARG   9   7.268   2.717  -2.606
   77    HB3  ARG   9           2HB      ARG   9   6.448   3.777  -3.749
   78    HG2  ARG   9           1HG      ARG   9   7.616   4.968  -1.238
   79    HG3  ARG   9           2HG      ARG   9   8.694   4.562  -2.570
   80    HD2  ARG   9           1HD      ARG   9   7.352   5.952  -4.097
   81    HD3  ARG   9           2HD      ARG   9   6.254   6.352  -2.781
   82    HE   ARG   9           HE       ARG   9   8.890   7.460  -3.225
   83   HH11  ARG   9          1HH2      ARG   9   6.376   6.755  -0.955
   84   HH12  ARG   9          2HH2      ARG   9   6.849   7.992   0.163
   85   HH21  ARG   9          1HH1      ARG   9   9.516   9.084  -1.765
   86   HH22  ARG   9          2HH1      ARG   9   8.626   9.309  -0.296
   87    HA   PRO  10           HA       PRO  10   2.048   1.551  -2.791
   88    HB2  PRO  10           1HB      PRO  10   0.022   3.227  -3.509
   89    HB3  PRO  10           2HB      PRO  10   0.443   2.910  -1.813
   90    HG2  PRO  10           1HG      PRO  10   1.151   5.248  -3.530
   91    HG3  PRO  10           2HG      PRO  10   0.646   5.211  -1.830
   92    HD2  PRO  10           1HD      PRO  10   3.275   5.445  -2.631
   93    HD3  PRO  10           2HD      PRO  10   2.788   4.744  -1.068
   94    H    TYR  11           H        TYR  11   0.874   0.974  -4.814
   95    HA   TYR  11           HA       TYR  11   2.527   1.276  -7.097
   96    HB2  TYR  11           1HB      TYR  11  -0.347   0.337  -6.920
   97    HB3  TYR  11           2HB      TYR  11   0.733   0.092  -8.292
   98    HD1  TYR  11           HD1      TYR  11   2.832  -1.281  -7.992
   99    HD2  TYR  11           HD2      TYR  11  -0.238  -1.065  -4.996
  100    HE1  TYR  11           HE1      TYR  11   3.740  -3.322  -6.913
  101    HE2  TYR  11           HE2      TYR  11   0.670  -3.104  -3.917
  102    HH   TYR  11           HH       TYR  11   2.044  -4.926  -4.300
  103    H    ILE  12           H        ILE  12   2.501   2.687  -8.730
  104    HA   ILE  12           HA       ILE  12   0.209   4.514  -9.066
  105    HB   ILE  12           HB       ILE  12   1.939   5.648  -7.660
  106   HG12  ILE  12          1HG1      ILE  12   2.163   7.665  -9.112
  107   HG13  ILE  12          2HG1      ILE  12   1.621   6.714 -10.491
  108   HG21  ILE  12          1HG2      ILE  12   3.838   4.353  -8.800
  109   HG22  ILE  12          2HG2      ILE  12   4.129   6.064  -8.496
  110   HG23  ILE  12          3HG2      ILE  12   3.698   5.517 -10.116
  111   HD11  ILE  12          3HD1      ILE  12  -0.094   8.172  -9.074
  112   HD12  ILE  12          1HD1      ILE  12  -0.106   6.746  -8.036
  113   HD13  ILE  12          2HD1      ILE  12  -0.567   6.608  -9.734
  114    H    LEU  13           H        LEU  13  -0.332   4.776 -11.152
  115    HA   LEU  13           HA       LEU  13   1.644   4.499 -13.262
  116    HB2  LEU  13           1HB      LEU  13   0.095   2.773 -14.433
  117    HB3  LEU  13           2HB      LEU  13   1.210   2.204 -13.201
  118    HG   LEU  13           HG       LEU  13  -1.160   1.292 -13.061
  119   HD11  LEU  13          1HD1      LEU  13  -0.730   2.714 -10.472
  120   HD12  LEU  13          2HD1      LEU  13   0.600   1.715 -11.055
  121   HD13  LEU  13          3HD1      LEU  13  -0.988   1.006 -10.805
  122   HD21  LEU  13          3HD2      LEU  13  -1.829   4.042 -11.982
  123   HD22  LEU  13          1HD2      LEU  13  -2.924   2.685 -12.219
  124   HD23  LEU  13          2HD2      LEU  13  -2.237   3.509 -13.615
  Start of MODEL   39
    1    H1   GLU   1           1H       GLU   1  -4.341  -9.706   9.673
    2    H2   GLU   1           2H       GLU   1  -5.674  -9.711   8.621
    3    H3   GLU   1           3H       GLU   1  -4.560  -8.430   8.579
    4    HA   GLU   1           HA       GLU   1  -2.904 -10.434   8.128
    5    HB2  GLU   1           1HB      GLU   1  -5.029 -11.928   8.196
    6    HB3  GLU   1           2HB      GLU   1  -5.382 -11.252   6.606
    7    HG2  GLU   1           1HG      GLU   1  -2.783 -12.631   7.351
    8    HG3  GLU   1           2HG      GLU   1  -4.113 -13.402   6.489
    9    H    LEU   2           H        LEU   2  -5.569  -8.703   6.575
   10    HA   LEU   2           HA       LEU   2  -4.133  -8.240   4.123
   11    HB2  LEU   2           1HB      LEU   2  -6.625  -6.911   5.215
   12    HB3  LEU   2           2HB      LEU   2  -6.061  -6.846   3.545
   13    HG   LEU   2           HG       LEU   2  -6.776  -9.403   5.014
   14   HD11  LEU   2          1HD1      LEU   2  -8.346  -7.727   3.027
   15   HD12  LEU   2          2HD1      LEU   2  -8.775  -8.051   4.706
   16   HD13  LEU   2          3HD1      LEU   2  -8.799  -9.359   3.524
   17   HD21  LEU   2          3HD2      LEU   2  -6.898 -10.140   2.483
   18   HD22  LEU   2          1HD2      LEU   2  -5.329 -10.045   3.278
   19   HD23  LEU   2          2HD2      LEU   2  -5.858  -8.742   2.212
   20    H    TYR   3           H        TYR   3  -2.856  -6.550   3.597
   21    HA   TYR   3           HA       TYR   3  -2.091  -4.686   5.677
   22    HB2  TYR   3           1HB      TYR   3  -1.205  -4.941   2.794
   23    HB3  TYR   3           2HB      TYR   3  -0.487  -3.851   3.981
   24    HD1  TYR   3           HD2      TYR   3   0.580  -4.802   6.056
   25    HD2  TYR   3           HD1      TYR   3  -0.652  -7.265   2.759
   26    HE1  TYR   3           HE2      TYR   3   2.006  -6.646   6.901
   27    HE2  TYR   3           HE1      TYR   3   0.775  -9.109   3.604
   28    HH   TYR   3           HH       TYR   3   2.395  -8.893   6.723
   29    H    GLU   4           H        GLU   4  -4.195  -3.656   5.900
   30    HA   GLU   4           HA       GLU   4  -5.406  -2.185   3.793
   31    HB2  GLU   4           1HB      GLU   4  -5.592  -1.934   6.801
   32    HB3  GLU   4           2HB      GLU   4  -6.580  -0.994   5.681
   33    HG2  GLU   4           1HG      GLU   4  -7.485  -3.053   4.710
   34    HG3  GLU   4           2HG      GLU   4  -6.458  -4.021   5.765
   35    H    ASN   5           H        ASN   5  -3.008  -1.366   6.254
   36    HA   ASN   5           HA       ASN   5  -2.933   1.429   5.682
   37    HB2  ASN   5           1HB      ASN   5  -0.918   1.462   7.023
   38    HB3  ASN   5           2HB      ASN   5  -2.099   0.411   7.801
   39   HD21  ASN   5          2HD2      ASN   5   1.070   0.483   7.489
   40   HD22  ASN   5          1HD2      ASN   5   1.426  -1.151   7.194
   41    H    LYS   6           H        LYS   6  -1.709   2.573   4.262
   42    HA   LYS   6           HA       LYS   6  -0.567   1.170   2.027
   43    HB2  LYS   6           1HB      LYS   6  -0.764   4.085   2.781
   44    HB3  LYS   6           2HB      LYS   6   0.087   3.553   1.334
   45    HG2  LYS   6           1HG      LYS   6  -1.871   2.720   0.328
   46    HG3  LYS   6           2HG      LYS   6  -2.740   2.625   1.858
   47    HD2  LYS   6           1HD      LYS   6  -1.812   5.319   0.873
   48    HD3  LYS   6           2HD      LYS   6  -3.249   4.596   0.157
   49    HE2  LYS   6           1HE      LYS   6  -2.828   5.094   3.121
   50    HE3  LYS   6           2HE      LYS   6  -3.850   6.051   2.052
   51    HZ1  LYS   6           3HZ      LYS   6  -5.326   4.573   2.998
   52    HZ2  LYS   6           1HZ      LYS   6  -4.228   3.281   2.980
   53    HZ3  LYS   6           2HZ      LYS   6  -4.948   3.804   1.532
   54    HA   PRO   7           HA       PRO   7   3.627   1.378   3.608
   55    HB2  PRO   7           1HB      PRO   7   5.022   0.640   1.484
   56    HB3  PRO   7           2HB      PRO   7   3.729  -0.441   2.043
   57    HG2  PRO   7           1HG      PRO   7   3.623   1.617  -0.135
   58    HG3  PRO   7           2HG      PRO   7   3.170  -0.103  -0.211
   59    HD2  PRO   7           1HD      PRO   7   1.338   1.903   0.263
   60    HD3  PRO   7           2HD      PRO   7   1.146   0.243   0.883
   61    H    ARG   8           H        ARG   8   5.426   2.214   1.050
   62    HA   ARG   8           HA       ARG   8   5.446   5.042   1.756
   63    HB2  ARG   8           1HB      ARG   8   7.599   3.822   1.460
   64    HB3  ARG   8           2HB      ARG   8   7.180   3.530  -0.225
   65    HG2  ARG   8           1HG      ARG   8   7.101   5.955  -0.642
   66    HG3  ARG   8           2HG      ARG   8   7.456   6.268   1.055
   67    HD2  ARG   8           1HD      ARG   8   9.276   4.704  -0.792
   68    HD3  ARG   8           2HD      ARG   8   9.467   6.420  -0.440
   69    HE   ARG   8           HE       ARG   8   9.334   5.031   2.004
   70   HH11  ARG   8          1HH2      ARG   8  11.348   5.341  -0.795
   71   HH12  ARG   8          2HH2      ARG   8  12.818   5.006   0.059
   72   HH21  ARG   8          1HH1      ARG   8  11.256   4.587   3.124
   73   HH22  ARG   8          2HH1      ARG   8  12.766   4.583   2.278
   74    H    ARG   9           H        ARG   9   6.192   4.202  -1.493
   75    HA   ARG   9           HA       ARG   9   3.818   5.662  -2.424
   76    HB2  ARG   9           1HB      ARG   9   5.016   5.686  -4.630
   77    HB3  ARG   9           2HB      ARG   9   5.857   6.542  -3.343
   78    HG2  ARG   9           1HG      ARG   9   7.116   4.288  -2.968
   79    HG3  ARG   9           2HG      ARG   9   6.510   3.859  -4.565
   80    HD2  ARG   9           1HD      ARG   9   8.781   4.879  -4.648
   81    HD3  ARG   9           2HD      ARG   9   7.586   5.808  -5.549
   82    HE   ARG   9           HE       ARG   9   7.580   6.952  -3.059
   83   HH11  ARG   9          1HH2      ARG   9  10.000   6.175  -5.409
   84   HH12  ARG   9          2HH2      ARG   9  11.018   7.517  -5.004
   85   HH21  ARG   9          1HH1      ARG   9   8.908   8.698  -2.515
   86   HH22  ARG   9          2HH1      ARG   9  10.401   8.948  -3.358
   87    HA   PRO  10           HA       PRO  10   2.501   1.424  -3.275
   88    HB2  PRO  10           1HB      PRO  10  -0.083   1.913  -4.021
   89    HB3  PRO  10           2HB      PRO  10   0.449   1.945  -2.327
   90    HG2  PRO  10           1HG      PRO  10  -0.025   4.219  -4.204
   91    HG3  PRO  10           2HG      PRO  10  -0.434   4.073  -2.484
   92    HD2  PRO  10           1HD      PRO  10   1.768   5.448  -3.407
   93    HD3  PRO  10           2HD      PRO  10   1.692   4.700  -1.794
   94    H    TYR  11           H        TYR  11   1.004   0.507  -5.251
   95    HA   TYR  11           HA       TYR  11   2.549   0.998  -7.612
   96    HB2  TYR  11           1HB      TYR  11   1.062  -0.684  -8.655
   97    HB3  TYR  11           2HB      TYR  11   1.723  -1.249  -7.123
   98    HD1  TYR  11           HD2      TYR  11   0.288  -1.061  -5.024
   99    HD2  TYR  11           HD1      TYR  11  -1.293  -0.515  -8.984
  100    HE1  TYR  11           HE2      TYR  11  -2.004  -1.416  -4.158
  101    HE2  TYR  11           HE1      TYR  11  -3.586  -0.876  -8.114
  102    HH   TYR  11           HH       TYR  11  -4.229  -2.213  -5.132
  103    H    ILE  12           H        ILE  12   1.914   3.387  -7.461
  104    HA   ILE  12           HA       ILE  12  -0.677   4.237  -8.224
  105    HB   ILE  12           HB       ILE  12   2.032   5.563  -8.476
  106   HG12  ILE  12          1HG1      ILE  12  -0.265   6.139  -6.590
  107   HG13  ILE  12          2HG1      ILE  12   1.041   5.024  -6.188
  108   HG21  ILE  12          1HG2      ILE  12   0.655   6.636 -10.109
  109   HG22  ILE  12          2HG2      ILE  12   0.586   7.666  -8.679
  110   HG23  ILE  12          3HG2      ILE  12  -0.758   6.587  -9.052
  111   HD11  ILE  12          3HD1      ILE  12   2.688   6.838  -6.565
  112   HD12  ILE  12          1HD1      ILE  12   1.536   7.254  -5.296
  113   HD13  ILE  12          2HD1      ILE  12   1.365   7.952  -6.906
  114    H    LEU  13           H        LEU  13   2.268   3.578 -10.102
  115    HA   LEU  13           HA       LEU  13   2.612   3.356 -12.371
  116    HB2  LEU  13           1HB      LEU  13  -0.213   2.271 -12.227
  117    HB3  LEU  13           2HB      LEU  13   0.928   2.005 -13.544
  118    HG   LEU  13           HG       LEU  13   1.387   1.167 -10.664
  119   HD11  LEU  13          1HD1      LEU  13  -0.379  -0.184 -11.591
  120   HD12  LEU  13          2HD1      LEU  13   1.097  -1.149 -11.661
  121   HD13  LEU  13          3HD1      LEU  13   0.486  -0.366 -13.117
  122   HD21  LEU  13          3HD2      LEU  13   3.538   1.380 -11.569
  123   HD22  LEU  13          1HD2      LEU  13   3.005   0.990 -13.205
  124   HD23  LEU  13          2HD2      LEU  13   3.161  -0.285 -11.997
  Start of MODEL   40
    1    H1   GLU   1           1H       GLU   1  -4.630  -9.794   9.422
    2    H2   GLU   1           2H       GLU   1  -3.449  -8.941  10.294
    3    H3   GLU   1           3H       GLU   1  -3.752 -10.575  10.646
    4    HA   GLU   1           HA       GLU   1  -1.700 -10.240   9.349
    5    HB2  GLU   1           1HB      GLU   1  -3.587 -11.650   7.490
    6    HB3  GLU   1           2HB      GLU   1  -2.036 -12.187   8.133
    7    HG2  GLU   1           1HG      GLU   1  -4.628 -12.011   9.687
    8    HG3  GLU   1           2HG      GLU   1  -3.898 -13.487   9.068
    9    H    LEU   2           H        LEU   2  -4.705  -9.211   7.871
   10    HA   LEU   2           HA       LEU   2  -3.527  -8.299   5.445
   11    HB2  LEU   2           1HB      LEU   2  -6.190  -7.638   6.717
   12    HB3  LEU   2           2HB      LEU   2  -5.736  -7.255   5.059
   13    HG   LEU   2           HG       LEU   2  -5.723 -10.068   6.191
   14   HD11  LEU   2          1HD1      LEU   2  -8.005  -9.125   6.223
   15   HD12  LEU   2          2HD1      LEU   2  -7.859 -10.373   4.986
   16   HD13  LEU   2          3HD1      LEU   2  -7.845  -8.670   4.528
   17   HD21  LEU   2          3HD2      LEU   2  -4.368 -10.105   4.270
   18   HD22  LEU   2          1HD2      LEU   2  -5.305  -8.855   3.455
   19   HD23  LEU   2          2HD2      LEU   2  -5.947 -10.489   3.596
   20    H    TYR   3           H        TYR   3  -3.195  -6.136   4.766
   21    HA   TYR   3           HA       TYR   3  -2.187  -4.393   6.822
   22    HB2  TYR   3           1HB      TYR   3  -2.547  -4.021   3.839
   23    HB3  TYR   3           2HB      TYR   3  -1.763  -2.846   4.896
   24    HD1  TYR   3           HD1      TYR   3  -1.569  -6.328   3.599
   25    HD2  TYR   3           HD2      TYR   3   0.474  -3.167   5.667
   26    HE1  TYR   3           HE1      TYR   3   0.562  -7.582   3.410
   27    HE2  TYR   3           HE2      TYR   3   2.604  -4.420   5.479
   28    HH   TYR   3           HH       TYR   3   3.471  -6.308   3.707
   29    H    GLU   4           H        GLU   4  -3.132  -2.629   7.713
   30    HA   GLU   4           HA       GLU   4  -5.969  -2.245   7.314
   31    HB2  GLU   4           1HB      GLU   4  -3.964  -0.762   9.036
   32    HB3  GLU   4           2HB      GLU   4  -5.708  -0.497   9.063
   33    HG2  GLU   4           1HG      GLU   4  -4.388  -3.174   9.594
   34    HG3  GLU   4           2HG      GLU   4  -4.910  -2.062  10.858
   35    H    ASN   5           H        ASN   5  -3.074  -0.916   6.049
   36    HA   ASN   5           HA       ASN   5  -4.588   0.936   4.389
   37    HB2  ASN   5           1HB      ASN   5  -3.994   2.182   6.520
   38    HB3  ASN   5           2HB      ASN   5  -2.304   2.000   6.054
   39   HD21  ASN   5          2HD2      ASN   5  -1.877   4.216   5.539
   40   HD22  ASN   5          1HD2      ASN   5  -2.661   5.031   4.275
   41    H    LYS   6           H        LYS   6  -3.081   2.038   2.798
   42    HA   LYS   6           HA       LYS   6  -1.701   0.225   1.270
   43    HB2  LYS   6           1HB      LYS   6  -1.333   3.201   1.565
   44    HB3  LYS   6           2HB      LYS   6  -0.456   2.270   0.355
   45    HG2  LYS   6           1HG      LYS   6  -2.530   1.524  -0.660
   46    HG3  LYS   6           2HG      LYS   6  -3.479   2.266   0.624
   47    HD2  LYS   6           1HD      LYS   6  -1.605   3.928  -1.070
   48    HD3  LYS   6           2HD      LYS   6  -3.223   3.542  -1.644
   49    HE2  LYS   6           1HE      LYS   6  -3.522   5.611  -0.572
   50    HE3  LYS   6           2HE      LYS   6  -4.022   4.467   0.667
   51    HZ1  LYS   6           3HZ      LYS   6  -2.284   4.986   1.953
   52    HZ2  LYS   6           1HZ      LYS   6  -2.184   6.393   1.013
   53    HZ3  LYS   6           2HZ      LYS   6  -1.197   5.059   0.648
   54    HA   PRO   7           HA       PRO   7   2.169  -0.188   3.481
   55    HB2  PRO   7           1HB      PRO   7   3.713  -1.384   1.665
   56    HB3  PRO   7           2HB      PRO   7   2.220  -2.186   2.201
   57    HG2  PRO   7           1HG      PRO   7   2.690  -0.561  -0.273
   58    HG3  PRO   7           2HG      PRO   7   1.904  -2.146  -0.110
   59    HD2  PRO   7           1HD      PRO   7   0.502   0.238  -0.232
   60    HD3  PRO   7           2HD      PRO   7  -0.104  -1.224   0.586
   61    H    ARG   8           H        ARG   8   4.062   0.037   0.678
   62    HA   ARG   8           HA       ARG   8   5.016   2.684   1.416
   63    HB2  ARG   8           1HB      ARG   8   6.627   0.849   0.878
   64    HB3  ARG   8           2HB      ARG   8   5.963   0.782  -0.751
   65    HG2  ARG   8           1HG      ARG   8   6.736   3.005  -1.243
   66    HG3  ARG   8           2HG      ARG   8   7.155   3.298   0.445
   67    HD2  ARG   8           1HD      ARG   8   8.422   1.152  -1.277
   68    HD3  ARG   8           2HD      ARG   8   9.127   2.745  -1.011
   69    HE   ARG   8           HE       ARG   8   8.632   1.739   1.513
   70   HH11  ARG   8          1HH2      ARG   8  10.410   0.781  -1.301
   71   HH12  ARG   8          2HH2      ARG   8  11.616  -0.086  -0.408
   72   HH21  ARG   8          1HH1      ARG   8  10.207   0.613   2.682
   73   HH22  ARG   8          2HH1      ARG   8  11.500  -0.182   1.847
   74    H    ARG   9           H        ARG   9   5.416   4.179  -0.633
   75    HA   ARG   9           HA       ARG   9   2.869   4.753  -1.687
   76    HB2  ARG   9           1HB      ARG   9   5.595   5.517  -2.775
   77    HB3  ARG   9           2HB      ARG   9   4.070   6.256  -3.258
   78    HG2  ARG   9           1HG      ARG   9   5.019   6.189  -0.381
   79    HG3  ARG   9           2HG      ARG   9   5.408   7.514  -1.473
   80    HD2  ARG   9           1HD      ARG   9   2.837   7.628  -1.892
   81    HD3  ARG   9           2HD      ARG   9   2.712   6.680  -0.413
   82    HE   ARG   9           HE       ARG   9   3.403   9.466  -0.607
   83   HH11  ARG   9          1HH2      ARG   9   3.816   6.528   1.172
   84   HH12  ARG   9          2HH2      ARG   9   4.140   7.318   2.678
   85   HH21  ARG   9          1HH1      ARG   9   3.833  10.514   1.369
   86   HH22  ARG   9          2HH1      ARG   9   4.154   9.575   2.789
   87    HA   PRO  10           HA       PRO  10   3.152   1.255  -4.498
   88    HB2  PRO  10           1HB      PRO  10   0.667   1.384  -5.633
   89    HB3  PRO  10           2HB      PRO  10   0.946   0.779  -3.988
   90    HG2  PRO  10           1HG      PRO  10  -0.004   3.468  -4.873
   91    HG3  PRO  10           2HG      PRO  10  -0.568   2.461  -3.526
   92    HD2  PRO  10           1HD      PRO  10   1.155   4.573  -3.196
   93    HD3  PRO  10           2HD      PRO  10   1.138   3.163  -2.112
   94    H    TYR  11           H        TYR  11   3.201   0.869  -6.830
   95    HA   TYR  11           HA       TYR  11   4.405   2.941  -8.298
   96    HB2  TYR  11           1HB      TYR  11   4.621   0.453  -8.702
   97    HB3  TYR  11           2HB      TYR  11   3.029   0.513  -9.460
   98    HD1  TYR  11           HD1      TYR  11   6.465   1.965  -9.623
   99    HD2  TYR  11           HD2      TYR  11   2.778   1.237 -11.702
  100    HE1  TYR  11           HE1      TYR  11   7.507   2.725 -11.742
  101    HE2  TYR  11           HE2      TYR  11   3.818   2.001 -13.818
  102    HH   TYR  11           HH       TYR  11   7.163   2.406 -14.175
  103    H    ILE  12           H        ILE  12   3.594   4.591  -9.401
  104    HA   ILE  12           HA       ILE  12   0.851   4.462 -10.478
  105    HB   ILE  12           HB       ILE  12   0.725   5.579  -8.261
  106   HG12  ILE  12          1HG1      ILE  12   0.405   7.578 -10.515
  107   HG13  ILE  12          2HG1      ILE  12  -0.699   6.223 -10.278
  108   HG21  ILE  12          1HG2      ILE  12   3.112   6.482  -8.456
  109   HG22  ILE  12          2HG2      ILE  12   1.910   7.610  -7.825
  110   HG23  ILE  12          3HG2      ILE  12   2.446   7.736  -9.500
  111   HD11  ILE  12          3HD1      ILE  12  -0.069   8.282  -8.147
  112   HD12  ILE  12          1HD1      ILE  12  -1.298   7.019  -8.068
  113   HD13  ILE  12          2HD1      ILE  12  -1.479   8.357  -9.202
  114    H    LEU  13           H        LEU  13   0.632   5.426 -12.422
  115    HA   LEU  13           HA       LEU  13   2.476   7.454 -13.333
  116    HB2  LEU  13           1HB      LEU  13   3.452   6.262 -15.158
  117    HB3  LEU  13           2HB      LEU  13   3.710   5.299 -13.715
  118    HG   LEU  13           HG       LEU  13   3.042   3.742 -15.362
  119   HD11  LEU  13          1HD1      LEU  13   0.444   4.363 -13.951
  120   HD12  LEU  13          2HD1      LEU  13   1.827   3.619 -13.145
  121   HD13  LEU  13          3HD1      LEU  13   1.038   2.794 -14.488
  122   HD21  LEU  13          3HD2      LEU  13   1.621   4.104 -17.107
  123   HD22  LEU  13          1HD2      LEU  13   1.878   5.804 -16.736
  124   HD23  LEU  13          2HD2      LEU  13   0.444   4.975 -16.135