*HEADER    NEUROPEPTIDE                            27-DEC-11   2LNG              
*TITLE     NEUROTENSIN 40 STRUCTURES IN DMPC:CHAPS:GM1(Q= 0.25) BICELLE PH 5.5 & 
*TITLE    2 298K. 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), DMPC/CHAPS/GM1 BICELLE, RECOMBINANT TECHNOLOGY,      
*KEYWDS   2 NEUROPEPTIDE                                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    40                                                                    
*AUTHOR    C.MUKHOPADHYAY, U.KHATUN                                              
*REVDAT   1   14-NOV-12 2LNG    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#)  4 2.2 1
assign (residue 1 and name HA)    (residue 1 and  name HG#)  4 2.2 1    
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 HB#)  3 1.2 .5
assign (residue 2 and name HA)    (residue 2 and  name HG)   4 2.2 1
assign (residue 2 and name HA)    ( residue 2 and  name HB#) 4 2.2 1            
assisn (residue 2 and name HA)    (residue 2 and  name HD#)  4 2.2 1
assign (residue 2 and name HN)    (residue 2 and name HA)    4 2.2 1
assign (residue 3 and name HN)    (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 HB#)   (residue 3 and name HD#)   4 2.2 1
assign (residue 3 and name HA)    (residue 3 and name HD#)   4 2.2 0
assign (residue 3 and name HA)    (residue 3 and  name HB#)  3 1.2 .5
assign (residue 3 and name HN)    (residue 3 and name HA)    4 2.2 1
assign (residue 4 and name HN)    (residue 4 and name HB#)   4 2.2 1
assign (residue 4 and name HG#)   (residue 4 and name HN)    4 2.2 1
assign (residue 4 and name HA)    (residue 4 and name HB#)   4 2.2 1
assign (residue 4 and name HA)    (residue 4 and  name HN)   3 1.2 .5
assign (residue 5 and name HN)    (residue 5 and name HB#)   3 1.2 .5
assign (residue 5 and name HA)    (residue 5 and name HB#)   4 2.2 0
assign (residue 5 and name HA)    (residue 5 and  name HN)   3 1.2 .5
assign (residue 6 and name HN)    (residue 6 and name HA)    3 1.2 .5
assign (residue 6 and name HN)    (residue 6 and name HG#)   4 2.2 1
assign (residue 6 and name HN)    (residue 6 and name HB#)   4 2.2 1
assign (residue 6 and name HN)    (residue 6 and name HD#)   4 2.2 1
assign (residue 7 and name HD#)   (residue 7 and name HB#)   4 2.2 1
assign (residue 7 and name HD#)   (residue 7 and name HG#)   4 2.2 1             
assign (residue 8 and name HA)    (residue 8 and name HN)    4 2.2 2             
assign (residue 8 and name HD#)   (residue 8 and name HN)    4 2.2 1
assign (residue 8 and name HB#)   (residue 8 and name HN)    4 2.2 1    
assign (residue 8 and name HG#)   (residue 8 and name HN)    4 2.2 2            
assign (residue 9 and name HN)    (residue 9 and  name HA)   3 1.2 .5
assign (residue 9 and name HG#)   (residue 9 and  name HN)   4 2.2 1
assign (residue 9 and name HB#)   (residue 9 and name HN)    4 2.2 1
assign (residue 10 and name HD#)  (residue 10 and  name HB#) 3 1.5 .5
assign (residue 10 and name HD#)  (residue 10 and name HG#)  4 2.2 1
assign (residue 11 and name HD#)  (residue 11 and  name HE#) 4 2.2 1
assign (residue 11 and name HN)   (residue 11 and  name HB#) 4 2.2 1
assign (residue 11 and name HB#)  (residue 11 and name HD#)  4 2.2 1
assign (residue 11 and name HB#)  (residue 11 and name HA)   3 1.2 .5
assign (residue 11 and name HD#)  (residue 11 and name HA)   4 2.2 0
assign (residue 12 and name HA)   (residue 12 and name HB#)  4 2.2 1
assign (residue 12 and name HA)   (residue 12 and name HG#)  4 2.2 1
assign (residue 12 and name HN)   (residue 12 and name HG#)  4 2.2 1
assign (residue 12 and name HN)   (residue 12 and name HB#)  4 2.2 1
assign (residue 12 and name HN)   (residue 12 and name HA)   4 2.2 1  
assign (residue 13 and name HN)   (residue 13 and  name HA)  4 2.2 2

                                                                                
                                                                                


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


                                                            



                                                                                                                                                                                                                                                               

                                                                                



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  -92.84  9.0  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  -95.10   9.0  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  -94.80   9.0  2 

 !!    5
  assign (resid    4 and name c )   (resid    5 and name n )
         (resid    5 and name ca)   (resid    5 and name c )   1.0  -93.99  9.0  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  -94.47  9.0  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  -99.90  9.0  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 -109.583  9.0  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 -84.36  9.0  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  -83.52  9.0  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  -88.93  9.0  2



















   
  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1H       GLU   1  -1.462  -7.317   8.369
    2    H2   GLU   1           2H       GLU   1  -0.485  -8.246   9.403
    3    H3   GLU   1           3H       GLU   1  -0.453  -6.550   9.497
    4    HA   GLU   1           HA       GLU   1  -2.559  -8.415  10.382
    5    HB2  GLU   1           1HB      GLU   1  -0.773  -7.684  11.955
    6    HB3  GLU   1           2HB      GLU   1  -1.238  -6.007  11.670
    7    HG2  GLU   1           1HG      GLU   1  -3.507  -6.489  12.511
    8    HG3  GLU   1           2HG      GLU   1  -3.048  -8.167  12.791
    9    H    LEU   2           H        LEU   2  -1.934  -4.933   9.855
   10    HA   LEU   2           HA       LEU   2  -4.842  -4.486   9.518
   11    HB2  LEU   2           1HB      LEU   2  -2.614  -2.463   9.870
   12    HB3  LEU   2           2HB      LEU   2  -4.346  -2.138   9.892
   13    HG   LEU   2           HG       LEU   2  -2.876  -3.911  11.867
   14   HD11  LEU   2          1HD1      LEU   2  -4.142  -1.190  12.294
   15   HD12  LEU   2          2HD1      LEU   2  -2.415  -1.437  12.031
   16   HD13  LEU   2          3HD1      LEU   2  -3.196  -2.119  13.457
   17   HD21  LEU   2          3HD2      LEU   2  -5.170  -3.548  13.087
   18   HD22  LEU   2          1HD2      LEU   2  -5.078  -4.747  11.800
   19   HD23  LEU   2          2HD2      LEU   2  -5.776  -3.159  11.478
   20    H    TYR   3           H        TYR   3  -4.310  -1.967   8.103
   21    HA   TYR   3           HA       TYR   3  -4.137  -3.078   5.414
   22    HB2  TYR   3           1HB      TYR   3  -5.877  -1.429   5.881
   23    HB3  TYR   3           2HB      TYR   3  -4.663  -0.261   6.402
   24    HD1  TYR   3           HD1      TYR   3  -5.596  -2.403   3.471
   25    HD2  TYR   3           HD2      TYR   3  -3.723   1.218   4.830
   26    HE1  TYR   3           HE1      TYR   3  -5.298  -1.674   1.120
   27    HE2  TYR   3           HE2      TYR   3  -3.426   1.946   2.479
   28    HH   TYR   3           HH       TYR   3  -4.988   0.399  -0.136
   29    H    GLU   4           H        GLU   4  -1.808  -3.632   6.182
   30    HA   GLU   4           HA       GLU   4   0.099  -1.448   5.963
   31    HB2  GLU   4           1HB      GLU   4   1.769  -3.154   6.423
   32    HB3  GLU   4           2HB      GLU   4   0.426  -3.336   7.554
   33    HG2  GLU   4           1HG      GLU   4  -0.538  -5.090   6.052
   34    HG3  GLU   4           2HG      GLU   4   0.905  -4.975   5.045
   35    H    ASN   5           H        ASN   5  -1.713  -2.841   3.730
   36    HA   ASN   5           HA       ASN   5   0.374  -3.418   1.747
   37    HB2  ASN   5           1HB      ASN   5  -2.646  -3.569   1.574
   38    HB3  ASN   5           2HB      ASN   5  -1.525  -4.073   0.310
   39   HD21  ASN   5          2HD2      ASN   5  -3.420  -5.407   2.611
   40   HD22  ASN   5          1HD2      ASN   5  -2.477  -6.751   3.043
   41    H    LYS   6           H        LYS   6   0.098  -0.713   2.766
   42    HA   LYS   6           HA       LYS   6  -1.218   0.818   0.679
   43    HB2  LYS   6           1HB      LYS   6  -1.151   1.504   3.113
   44    HB3  LYS   6           2HB      LYS   6   0.555   1.880   2.878
   45    HG2  LYS   6           1HG      LYS   6  -0.033   3.434   1.056
   46    HG3  LYS   6           2HG      LYS   6  -1.741   3.068   1.295
   47    HD2  LYS   6           1HD      LYS   6  -1.754   4.054   3.465
   48    HD3  LYS   6           2HD      LYS   6   0.008   4.111   3.528
   49    HE2  LYS   6           1HE      LYS   6  -1.729   5.685   1.603
   50    HE3  LYS   6           2HE      LYS   6  -0.941   6.342   3.038
   51    HZ1  LYS   6           3HZ      LYS   6   1.154   5.281   1.915
   52    HZ2  LYS   6           1HZ      LYS   6   0.609   6.822   1.462
   53    HZ3  LYS   6           2HZ      LYS   6   0.234   5.472   0.500
   54    HA   PRO   7           HA       PRO   7   3.257   1.741  -0.497
   55    HB2  PRO   7           1HB      PRO   7   5.309   0.257   0.437
   56    HB3  PRO   7           2HB      PRO   7   4.570   1.538   1.422
   57    HG2  PRO   7           1HG      PRO   7   4.248  -1.415   1.612
   58    HG3  PRO   7           2HG      PRO   7   4.242  -0.195   2.896
   59    HD2  PRO   7           1HD      PRO   7   1.952  -1.372   1.689
   60    HD3  PRO   7           2HD      PRO   7   1.956   0.043   2.764
   61    H    ARG   8           H        ARG   8   1.562  -0.899  -0.900
   62    HA   ARG   8           HA       ARG   8   3.313  -2.165  -2.937
   63    HB2  ARG   8           1HB      ARG   8   0.758  -3.123  -1.613
   64    HB3  ARG   8           2HB      ARG   8   1.599  -3.977  -2.906
   65    HG2  ARG   8           1HG      ARG   8   3.588  -4.220  -1.512
   66    HG3  ARG   8           2HG      ARG   8   2.841  -3.263  -0.232
   67    HD2  ARG   8           1HD      ARG   8   2.619  -5.633   0.302
   68    HD3  ARG   8           2HD      ARG   8   1.030  -4.964  -0.062
   69    HE   ARG   8           HE       ARG   8   2.226  -6.052  -2.411
   70   HH11  ARG   8          1HH2      ARG   8   0.703  -6.881   0.583
   71   HH12  ARG   8          2HH2      ARG   8   0.074  -8.388   0.006
   72   HH21  ARG   8          1HH1      ARG   8   1.405  -8.028  -3.176
   73   HH22  ARG   8          2HH1      ARG   8   0.473  -9.038  -2.122
   74    H    ARG   9           H        ARG   9   0.506  -0.359  -2.227
   75    HA   ARG   9           HA       ARG   9  -0.173  -0.141  -5.103
   76    HB2  ARG   9           1HB      ARG   9  -1.828  -1.334  -3.393
   77    HB3  ARG   9           2HB      ARG   9  -2.257   0.322  -2.983
   78    HG2  ARG   9           1HG      ARG   9  -2.311  -0.878  -5.773
   79    HG3  ARG   9           2HG      ARG   9  -3.723  -0.575  -4.763
   80    HD2  ARG   9           1HD      ARG   9  -3.036   1.863  -4.707
   81    HD3  ARG   9           2HD      ARG   9  -1.824   1.475  -5.926
   82    HE   ARG   9           HE       ARG   9  -4.681   1.681  -6.343
   83   HH11  ARG   9          1HH2      ARG   9  -1.667   0.362  -7.412
   84   HH12  ARG   9          2HH2      ARG   9  -2.185   0.141  -9.051
   85   HH21  ARG   9          1HH1      ARG   9  -5.370   1.392  -8.491
   86   HH22  ARG   9          2HH1      ARG   9  -4.281   0.725  -9.661
   87    HA   PRO  10           HA       PRO  10   0.932   3.912  -3.086
   88    HB2  PRO  10           1HB      PRO  10   2.917   4.710  -4.754
   89    HB3  PRO  10           2HB      PRO  10   3.212   3.562  -3.430
   90    HG2  PRO  10           1HG      PRO  10   2.758   3.008  -6.336
   91    HG3  PRO  10           2HG      PRO  10   3.987   2.336  -5.246
   92    HD2  PRO  10           1HD      PRO  10   1.683   0.996  -5.865
   93    HD3  PRO  10           2HD      PRO  10   2.507   0.814  -4.297
   94    H    TYR  11           H        TYR  11   0.303   6.034  -3.847
   95    HA   TYR  11           HA       TYR  11  -1.740   6.177  -5.708
   96    HB2  TYR  11           1HB      TYR  11   0.208   8.293  -4.776
   97    HB3  TYR  11           2HB      TYR  11  -1.157   8.654  -5.834
   98    HD1  TYR  11           HD2      TYR  11  -0.156   7.534  -2.460
   99    HD2  TYR  11           HD1      TYR  11  -3.447   8.536  -5.032
  100    HE1  TYR  11           HE2      TYR  11  -1.669   7.603  -0.497
  101    HE2  TYR  11           HE1      TYR  11  -4.961   8.603  -3.069
  102    HH   TYR  11           HH       TYR  11  -5.154   8.017  -0.879
  103    H    ILE  12           H        ILE  12   1.732   6.687  -6.168
  104    HA   ILE  12           HA       ILE  12   1.336   6.805  -9.098
  105    HB   ILE  12           HB       ILE  12   2.656   8.635  -8.058
  106   HG12  ILE  12          1HG1      ILE  12   4.665   8.393  -9.535
  107   HG13  ILE  12          2HG1      ILE  12   4.220   6.712  -9.815
  108   HG21  ILE  12          1HG2      ILE  12   3.598   6.925  -6.270
  109   HG22  ILE  12          2HG2      ILE  12   4.580   8.290  -6.794
  110   HG23  ILE  12          3HG2      ILE  12   4.875   6.690  -7.466
  111   HD11  ILE  12          3HD1      ILE  12   2.143   8.819 -10.322
  112   HD12  ILE  12          1HD1      ILE  12   2.395   7.270 -11.129
  113   HD13  ILE  12          2HD1      ILE  12   3.451   8.634 -11.488
  114    H    LEU  13           H        LEU  13   1.269   4.782  -9.868
  115    HA   LEU  13           HA       LEU  13   2.372   2.531  -8.653
  116    HB2  LEU  13           1HB      LEU  13   2.192   1.502 -11.024
  117    HB3  LEU  13           2HB      LEU  13   0.723   2.010 -10.208
  118    HG   LEU  13           HG       LEU  13   0.955   2.675 -12.664
  119   HD11  LEU  13          1HD1      LEU  13  -0.242   4.062 -10.531
  120   HD12  LEU  13          2HD1      LEU  13  -0.570   4.271 -12.245
  121   HD13  LEU  13          3HD1      LEU  13   0.604   5.309 -11.446
  122   HD21  LEU  13          3HD2      LEU  13   2.875   4.749 -11.567
  123   HD22  LEU  13          1HD2      LEU  13   2.380   4.531 -13.243
  124   HD23  LEU  13          2HD2      LEU  13   3.379   3.312 -12.458
  Start of MODEL    2
    1    H1   GLU   1           1H       GLU   1  -0.703  -9.124  11.263
    2    H2   GLU   1           2H       GLU   1  -2.143  -9.585  10.489
    3    H3   GLU   1           3H       GLU   1  -2.145  -8.295  11.595
    4    HA   GLU   1           HA       GLU   1  -0.401  -7.283   9.972
    5    HB2  GLU   1           1HB      GLU   1  -1.994  -9.222   8.265
    6    HB3  GLU   1           2HB      GLU   1  -0.991  -7.919   7.625
    7    HG2  GLU   1           1HG      GLU   1   0.024 -10.144   9.417
    8    HG3  GLU   1           2HG      GLU   1   0.186 -10.124   7.663
    9    H    LEU   2           H        LEU   2  -1.187  -5.316   9.421
   10    HA   LEU   2           HA       LEU   2  -4.105  -4.891   9.646
   11    HB2  LEU   2           1HB      LEU   2  -1.824  -2.897   9.730
   12    HB3  LEU   2           2HB      LEU   2  -3.524  -2.543  10.031
   13    HG   LEU   2           HG       LEU   2  -1.847  -4.476  11.661
   14   HD11  LEU   2          1HD1      LEU   2  -1.083  -2.192  12.013
   15   HD12  LEU   2          2HD1      LEU   2  -2.023  -2.700  13.418
   16   HD13  LEU   2          3HD1      LEU   2  -2.743  -1.631  12.214
   17   HD21  LEU   2          3HD2      LEU   2  -3.899  -4.034  13.255
   18   HD22  LEU   2          1HD2      LEU   2  -4.071  -5.190  11.937
   19   HD23  LEU   2          2HD2      LEU   2  -4.721  -3.558  11.769
   20    H    TYR   3           H        TYR   3  -4.042  -2.351   8.318
   21    HA   TYR   3           HA       TYR   3  -4.205  -3.288   5.562
   22    HB2  TYR   3           1HB      TYR   3  -5.938  -1.789   6.634
   23    HB3  TYR   3           2HB      TYR   3  -4.731  -0.504   6.626
   24    HD1  TYR   3           HD2      TYR   3  -6.480  -2.943   4.402
   25    HD2  TYR   3           HD1      TYR   3  -4.357   0.780   4.673
   26    HE1  TYR   3           HE2      TYR   3  -7.018  -2.465   2.030
   27    HE2  TYR   3           HE1      TYR   3  -4.895   1.258   2.299
   28    HH   TYR   3           HH       TYR   3  -6.807  -1.042   0.350
   29    H    GLU   4           H        GLU   4  -1.680  -3.546   6.182
   30    HA   GLU   4           HA       GLU   4  -0.132  -1.148   5.638
   31    HB2  GLU   4           1HB      GLU   4   1.791  -2.547   6.027
   32    HB3  GLU   4           2HB      GLU   4   0.587  -2.938   7.257
   33    HG2  GLU   4           1HG      GLU   4  -0.171  -4.850   5.810
   34    HG3  GLU   4           2HG      GLU   4   1.183  -4.515   4.734
   35    H    ASN   5           H        ASN   5  -2.020  -2.419   3.623
   36    HA   ASN   5           HA       ASN   5  -0.156  -3.148   1.463
   37    HB2  ASN   5           1HB      ASN   5  -3.161  -3.300   1.735
   38    HB3  ASN   5           2HB      ASN   5  -2.310  -3.639   0.229
   39   HD21  ASN   5          2HD2      ASN   5  -3.816  -5.667   1.616
   40   HD22  ASN   5          1HD2      ASN   5  -2.722  -6.835   2.179
   41    H    LYS   6           H        LYS   6  -0.694  -0.349   2.623
   42    HA   LYS   6           HA       LYS   6  -1.893   1.055   0.381
   43    HB2  LYS   6           1HB      LYS   6  -2.132   1.749   2.824
   44    HB3  LYS   6           2HB      LYS   6  -0.462   2.296   2.731
   45    HG2  LYS   6           1HG      LYS   6  -1.551   4.262   2.148
   46    HG3  LYS   6           2HG      LYS   6  -1.325   3.557   0.550
   47    HD2  LYS   6           1HD      LYS   6  -3.612   2.590   0.672
   48    HD3  LYS   6           2HD      LYS   6  -3.832   3.347   2.251
   49    HE2  LYS   6           1HE      LYS   6  -3.365   4.757  -0.391
   50    HE3  LYS   6           2HE      LYS   6  -4.838   4.787   0.580
   51    HZ1  LYS   6           3HZ      LYS   6  -3.222   5.659   2.400
   52    HZ2  LYS   6           1HZ      LYS   6  -3.828   6.721   1.225
   53    HZ3  LYS   6           2HZ      LYS   6  -2.255   6.096   1.074
   54    HA   PRO   7           HA       PRO   7   2.593   2.296  -0.351
   55    HB2  PRO   7           1HB      PRO   7   4.637   1.055   0.898
   56    HB3  PRO   7           2HB      PRO   7   3.681   2.306   1.718
   57    HG2  PRO   7           1HG      PRO   7   3.612  -0.646   2.058
   58    HG3  PRO   7           2HG      PRO   7   3.308   0.634   3.245
   59    HD2  PRO   7           1HD      PRO   7   1.337  -0.845   1.793
   60    HD3  PRO   7           2HD      PRO   7   1.049   0.572   2.821
   61    H    ARG   8           H        ARG   8   1.219  -0.572  -0.643
   62    HA   ARG   8           HA       ARG   8   3.248  -1.917  -2.289
   63    HB2  ARG   8           1HB      ARG   8   1.509  -3.058  -0.655
   64    HB3  ARG   8           2HB      ARG   8   0.385  -2.823  -1.993
   65    HG2  ARG   8           1HG      ARG   8   1.206  -4.905  -2.590
   66    HG3  ARG   8           2HG      ARG   8   2.410  -3.905  -3.399
   67    HD2  ARG   8           1HD      ARG   8   3.554  -5.636  -2.136
   68    HD3  ARG   8           2HD      ARG   8   3.853  -4.082  -1.362
   69    HE   ARG   8           HE       ARG   8   2.609  -4.806   0.475
   70   HH11  ARG   8          1HH2      ARG   8   2.211  -6.906  -2.245
   71   HH12  ARG   8          2HH2      ARG   8   1.362  -8.126  -1.354
   72   HH21  ARG   8          1HH1      ARG   8   1.500  -6.402   1.651
   73   HH22  ARG   8          2HH1      ARG   8   0.961  -7.840   0.852
   74    H    ARG   9           H        ARG   9   0.350  -0.082  -2.331
   75    HA   ARG   9           HA       ARG   9   0.366   0.057  -5.292
   76    HB2  ARG   9           1HB      ARG   9  -2.015   0.377  -3.450
   77    HB3  ARG   9           2HB      ARG   9  -2.033   0.389  -5.215
   78    HG2  ARG   9           1HG      ARG   9  -1.008  -1.962  -5.084
   79    HG3  ARG   9           2HG      ARG   9  -1.444  -1.935  -3.374
   80    HD2  ARG   9           1HD      ARG   9  -3.265  -2.985  -4.533
   81    HD3  ARG   9           2HD      ARG   9  -3.807  -1.368  -4.088
   82    HE   ARG   9           HE       ARG   9  -2.711  -1.168  -6.644
   83   HH11  ARG   9          1HH2      ARG   9  -5.282  -2.826  -5.025
   84   HH12  ARG   9          2HH2      ARG   9  -6.308  -2.883  -6.418
   85   HH21  ARG   9          1HH1      ARG   9  -4.051  -1.241  -8.476
   86   HH22  ARG   9          2HH1      ARG   9  -5.611  -1.986  -8.373
   87    HA   PRO  10           HA       PRO  10   1.097   4.155  -3.165
   88    HB2  PRO  10           1HB      PRO  10   3.331   4.926  -4.547
   89    HB3  PRO  10           2HB      PRO  10   3.403   3.882  -3.109
   90    HG2  PRO  10           1HG      PRO  10   3.488   3.121  -6.001
   91    HG3  PRO  10           2HG      PRO  10   4.487   2.534  -4.655
   92    HD2  PRO  10           1HD      PRO  10   2.360   1.122  -5.607
   93    HD3  PRO  10           2HD      PRO  10   2.842   1.073  -3.894
   94    H    TYR  11           H        TYR  11   0.703   6.283  -4.061
   95    HA   TYR  11           HA       TYR  11  -1.118   6.549  -6.062
   96    HB2  TYR  11           1HB      TYR  11  -0.460   8.414  -4.611
   97    HB3  TYR  11           2HB      TYR  11   1.094   8.524  -5.438
   98    HD1  TYR  11           HD2      TYR  11  -2.587   8.784  -5.939
   99    HD2  TYR  11           HD1      TYR  11   1.309   9.691  -7.504
  100    HE1  TYR  11           HE2      TYR  11  -3.618  10.225  -7.674
  101    HE2  TYR  11           HE1      TYR  11   0.278  11.131  -9.239
  102    HH   TYR  11           HH       TYR  11  -1.696  12.281  -9.735
  103    H    ILE  12           H        ILE  12   2.401   6.468  -6.440
  104    HA   ILE  12           HA       ILE  12   2.471   6.993  -9.227
  105    HB   ILE  12           HB       ILE  12   4.397   5.510  -7.415
  106   HG12  ILE  12          1HG1      ILE  12   5.746   7.643  -7.881
  107   HG13  ILE  12          2HG1      ILE  12   4.267   8.320  -8.555
  108   HG21  ILE  12          1HG2      ILE  12   4.834   4.666  -9.596
  109   HG22  ILE  12          2HG2      ILE  12   6.007   5.963  -9.363
  110   HG23  ILE  12          3HG2      ILE  12   4.568   6.240 -10.342
  111   HD11  ILE  12          3HD1      ILE  12   4.262   7.116  -5.787
  112   HD12  ILE  12          1HD1      ILE  12   3.171   8.317  -6.478
  113   HD13  ILE  12          2HD1      ILE  12   4.818   8.767  -6.046
  114    H    LEU  13           H        LEU  13   2.292   4.033  -7.313
  115    HA   LEU  13           HA       LEU  13   1.684   1.900  -7.806
  116    HB2  LEU  13           1HB      LEU  13  -0.382   2.889  -8.601
  117    HB3  LEU  13           2HB      LEU  13   0.343   3.239 -10.166
  118    HG   LEU  13           HG       LEU  13   0.613   0.844 -10.613
  119   HD11  LEU  13          1HD1      LEU  13  -0.642  -0.704  -8.906
  120   HD12  LEU  13          2HD1      LEU  13  -0.357   0.610  -7.766
  121   HD13  LEU  13          3HD1      LEU  13   1.007  -0.196  -8.542
  122   HD21  LEU  13          3HD2      LEU  13  -1.717   0.298 -10.902
  123   HD22  LEU  13          1HD2      LEU  13  -1.565   2.046 -11.085
  124   HD23  LEU  13          2HD2      LEU  13  -2.187   1.367  -9.581
  Start of MODEL    3
    1    H1   GLU   1           1H       GLU   1   1.493  -5.851   8.029
    2    H2   GLU   1           2H       GLU   1   0.009  -5.029   7.911
    3    H3   GLU   1           3H       GLU   1   0.688  -5.765   6.537
    4    HA   GLU   1           HA       GLU   1  -0.007  -7.814   7.084
    5    HB2  GLU   1           1HB      GLU   1   0.367  -6.933   9.959
    6    HB3  GLU   1           2HB      GLU   1  -0.238  -8.523   9.493
    7    HG2  GLU   1           1HG      GLU   1   1.814  -8.975   8.245
    8    HG3  GLU   1           2HG      GLU   1   2.420  -7.361   8.612
    9    H    LEU   2           H        LEU   2  -1.298  -5.162   9.085
   10    HA   LEU   2           HA       LEU   2  -4.009  -6.264   8.873
   11    HB2  LEU   2           1HB      LEU   2  -2.961  -3.812  10.305
   12    HB3  LEU   2           2HB      LEU   2  -4.619  -4.400  10.375
   13    HG   LEU   2           HG       LEU   2  -2.183  -5.991  11.238
   14   HD11  LEU   2          1HD1      LEU   2  -2.602  -4.072  12.715
   15   HD12  LEU   2          2HD1      LEU   2  -3.027  -5.576  13.532
   16   HD13  LEU   2          3HD1      LEU   2  -4.293  -4.543  12.867
   17   HD21  LEU   2          3HD2      LEU   2  -4.208  -7.275  12.407
   18   HD22  LEU   2          1HD2      LEU   2  -3.779  -7.624  10.735
   19   HD23  LEU   2          2HD2      LEU   2  -5.140  -6.561  11.093
   20    H    TYR   3           H        TYR   3  -3.210  -2.839   8.807
   21    HA   TYR   3           HA       TYR   3  -4.781  -2.558   6.312
   22    HB2  TYR   3           1HB      TYR   3  -5.519  -1.276   8.357
   23    HB3  TYR   3           2HB      TYR   3  -3.991  -0.398   8.283
   24    HD1  TYR   3           HD1      TYR   3  -7.015  -1.259   6.259
   25    HD2  TYR   3           HD2      TYR   3  -3.738   1.460   6.835
   26    HE1  TYR   3           HE1      TYR   3  -7.964   0.253   4.537
   27    HE2  TYR   3           HE2      TYR   3  -4.690   2.969   5.112
   28    HH   TYR   3           HH       TYR   3  -6.228   2.741   3.119
   29    H    GLU   4           H        GLU   4  -1.897  -3.354   6.590
   30    HA   GLU   4           HA       GLU   4  -0.422  -1.072   5.554
   31    HB2  GLU   4           1HB      GLU   4   0.323  -3.944   6.127
   32    HB3  GLU   4           2HB      GLU   4   1.440  -2.800   5.392
   33    HG2  GLU   4           1HG      GLU   4   1.943  -2.623   7.683
   34    HG3  GLU   4           2HG      GLU   4   0.859  -1.265   7.419
   35    H    ASN   5           H        ASN   5  -2.548  -1.635   3.905
   36    HA   ASN   5           HA       ASN   5  -1.409  -3.039   1.564
   37    HB2  ASN   5           1HB      ASN   5  -4.213  -2.116   2.225
   38    HB3  ASN   5           2HB      ASN   5  -3.741  -2.754   0.652
   39   HD21  ASN   5          2HD2      ASN   5  -5.674  -4.084   2.327
   40   HD22  ASN   5          1HD2      ASN   5  -5.003  -5.561   2.827
   41    H    LYS   6           H        LYS   6  -1.220  -0.085   2.828
   42    HA   LYS   6           HA       LYS   6  -1.868   1.489   0.465
   43    HB2  LYS   6           1HB      LYS   6  -1.232   2.027   3.299
   44    HB3  LYS   6           2HB      LYS   6  -0.498   3.185   2.197
   45    HG2  LYS   6           1HG      LYS   6  -3.418   2.454   1.927
   46    HG3  LYS   6           2HG      LYS   6  -2.895   3.669   3.092
   47    HD2  LYS   6           1HD      LYS   6  -1.860   4.990   1.323
   48    HD3  LYS   6           2HD      LYS   6  -2.240   3.750   0.129
   49    HE2  LYS   6           1HE      LYS   6  -3.916   5.482  -0.050
   50    HE3  LYS   6           2HE      LYS   6  -4.677   4.069   0.680
   51    HZ1  LYS   6           3HZ      LYS   6  -3.520   6.280   2.279
   52    HZ2  LYS   6           1HZ      LYS   6  -4.537   5.031   2.811
   53    HZ3  LYS   6           2HZ      LYS   6  -5.148   6.245   1.793
   54    HA   PRO   7           HA       PRO   7   2.835   1.751   0.216
   55    HB2  PRO   7           1HB      PRO   7   4.437   0.187   1.728
   56    HB3  PRO   7           2HB      PRO   7   3.714   1.676   2.372
   57    HG2  PRO   7           1HG      PRO   7   2.925  -1.157   2.833
   58    HG3  PRO   7           2HG      PRO   7   2.874   0.224   3.943
   59    HD2  PRO   7           1HD      PRO   7   0.679  -0.799   2.492
   60    HD3  PRO   7           2HD      PRO   7   0.731   0.781   3.303
   61    H    ARG   8           H        ARG   8   0.876  -0.516  -0.432
   62    HA   ARG   8           HA       ARG   8   2.753  -2.352  -1.828
   63    HB2  ARG   8           1HB      ARG   8  -0.206  -2.712  -1.264
   64    HB3  ARG   8           2HB      ARG   8   0.871  -3.893  -1.999
   65    HG2  ARG   8           1HG      ARG   8   1.296  -2.796   0.792
   66    HG3  ARG   8           2HG      ARG   8   0.375  -4.261   0.467
   67    HD2  ARG   8           1HD      ARG   8   2.416  -5.154  -0.748
   68    HD3  ARG   8           2HD      ARG   8   3.302  -3.765  -0.125
   69    HE   ARG   8           HE       ARG   8   1.987  -5.099   2.006
   70   HH11  ARG   8          1HH2      ARG   8   4.607  -5.397  -0.235
   71   HH12  ARG   8          2HH2      ARG   8   5.580  -6.367   0.821
   72   HH21  ARG   8          1HH1      ARG   8   3.251  -6.372   3.390
   73   HH22  ARG   8          2HH1      ARG   8   4.805  -6.933   2.869
   74    H    ARG   9           H        ARG   9   0.305   0.009  -1.974
   75    HA   ARG   9           HA       ARG   9   0.293  -0.046  -4.940
   76    HB2  ARG   9           1HB      ARG   9  -1.925  -0.636  -3.820
   77    HB3  ARG   9           2HB      ARG   9  -1.936   1.014  -3.194
   78    HG2  ARG   9           1HG      ARG   9  -1.824   1.917  -5.461
   79    HG3  ARG   9           2HG      ARG   9  -1.720   0.288  -6.129
   80    HD2  ARG   9           1HD      ARG   9  -4.008   0.882  -6.347
   81    HD3  ARG   9           2HD      ARG   9  -3.947  -0.171  -4.935
   82    HE   ARG   9           HE       ARG   9  -4.595   1.640  -3.638
   83   HH11  ARG   9          1HH2      ARG   9  -3.385   2.685  -6.709
   84   HH12  ARG   9          2HH2      ARG   9  -3.820   4.344  -6.472
   85   HH21  ARG   9          1HH1      ARG   9  -5.151   3.829  -3.316
   86   HH22  ARG   9          2HH1      ARG   9  -4.800   4.991  -4.552
   87    HA   PRO  10           HA       PRO  10   2.359   3.747  -3.271
   88    HB2  PRO  10           1HB      PRO  10   3.415   3.762  -6.074
   89    HB3  PRO  10           2HB      PRO  10   4.283   3.980  -4.542
   90    HG2  PRO  10           1HG      PRO  10   4.437   1.704  -5.954
   91    HG3  PRO  10           2HG      PRO  10   4.483   1.714  -4.181
   92    HD2  PRO  10           1HD      PRO  10   2.246   0.919  -6.005
   93    HD3  PRO  10           2HD      PRO  10   2.668   0.292  -4.396
   94    H    TYR  11           H        TYR  11   2.355   6.041  -4.258
   95    HA   TYR  11           HA       TYR  11  -0.203   6.909  -4.797
   96    HB2  TYR  11           1HB      TYR  11   2.404   8.129  -5.739
   97    HB3  TYR  11           2HB      TYR  11   0.847   8.957  -5.749
   98    HD1  TYR  11           HD1      TYR  11   3.509   7.538  -3.627
   99    HD2  TYR  11           HD2      TYR  11  -0.195   9.707  -3.685
  100    HE1  TYR  11           HE1      TYR  11   3.846   8.175  -1.252
  101    HE2  TYR  11           HE2      TYR  11   0.137  10.343  -1.312
  102    HH   TYR  11           HH       TYR  11   2.766   8.995   0.601
  103    H    ILE  12           H        ILE  12   2.350   6.118  -7.154
  104    HA   ILE  12           HA       ILE  12   0.389   6.308  -9.350
  105    HB   ILE  12           HB       ILE  12   3.397   5.905  -9.441
  106   HG12  ILE  12          1HG1      ILE  12   1.795   8.399 -10.073
  107   HG13  ILE  12          2HG1      ILE  12   2.540   8.119  -8.498
  108   HG21  ILE  12          1HG2      ILE  12   3.150   6.441 -11.817
  109   HG22  ILE  12          2HG2      ILE  12   1.415   6.673 -11.609
  110   HG23  ILE  12          3HG2      ILE  12   2.119   5.069 -11.425
  111   HD11  ILE  12          3HD1      ILE  12   4.010   9.469  -9.966
  112   HD12  ILE  12          1HD1      ILE  12   4.018   8.158 -11.147
  113   HD13  ILE  12          2HD1      ILE  12   4.747   7.918  -9.561
  114    H    LEU  13           H        LEU  13   3.106   4.116  -8.586
  115    HA   LEU  13           HA       LEU  13   1.523   1.784  -8.368
  116    HB2  LEU  13           1HB      LEU  13   2.060   0.655 -10.451
  117    HB3  LEU  13           2HB      LEU  13   1.152   2.122 -10.768
  118    HG   LEU  13           HG       LEU  13   3.567   3.212 -10.999
  119   HD11  LEU  13          1HD1      LEU  13   4.109   0.259 -11.234
  120   HD12  LEU  13          2HD1      LEU  13   5.114   1.533 -10.554
  121   HD13  LEU  13          3HD1      LEU  13   4.972   1.367 -12.296
  122   HD21  LEU  13          3HD2      LEU  13   2.025   3.233 -12.839
  123   HD22  LEU  13          1HD2      LEU  13   2.170   1.491 -13.068
  124   HD23  LEU  13          2HD2      LEU  13   3.526   2.548 -13.461
  Start of MODEL    4
    1    H1   GLU   1           1H       GLU   1   0.704  -7.877   8.895
    2    H2   GLU   1           2H       GLU   1  -0.951  -8.239   9.023
    3    H3   GLU   1           3H       GLU   1  -0.307  -6.894   9.838
    4    HA   GLU   1           HA       GLU   1   0.081  -5.728   7.829
    5    HB2  GLU   1           1HB      GLU   1   0.826  -7.744   6.556
    6    HB3  GLU   1           2HB      GLU   1  -0.860  -8.252   6.433
    7    HG2  GLU   1           1HG      GLU   1  -1.411  -6.164   5.246
    8    HG3  GLU   1           2HG      GLU   1   0.268  -5.642   5.378
    9    H    LEU   2           H        LEU   2  -1.636  -4.720   9.055
   10    HA   LEU   2           HA       LEU   2  -4.375  -5.563   8.592
   11    HB2  LEU   2           1HB      LEU   2  -3.775  -4.661  10.773
   12    HB3  LEU   2           2HB      LEU   2  -3.208  -3.169  10.033
   13    HG   LEU   2           HG       LEU   2  -5.474  -2.642   9.271
   14   HD11  LEU   2          1HD1      LEU   2  -7.332  -4.197  10.270
   15   HD12  LEU   2          2HD1      LEU   2  -6.052  -5.408  10.325
   16   HD13  LEU   2          3HD1      LEU   2  -6.523  -4.687   8.785
   17   HD21  LEU   2          3HD2      LEU   2  -4.867  -1.904  11.513
   18   HD22  LEU   2          1HD2      LEU   2  -5.323  -3.471  12.184
   19   HD23  LEU   2          2HD2      LEU   2  -6.558  -2.406  11.514
   20    H    TYR   3           H        TYR   3  -3.260  -2.223   8.443
   21    HA   TYR   3           HA       TYR   3  -4.654  -1.906   5.851
   22    HB2  TYR   3           1HB      TYR   3  -5.398  -0.479   7.755
   23    HB3  TYR   3           2HB      TYR   3  -3.780   0.217   7.825
   24    HD1  TYR   3           HD2      TYR   3  -6.677  -0.331   5.534
   25    HD2  TYR   3           HD1      TYR   3  -3.168   1.996   6.385
   26    HE1  TYR   3           HE2      TYR   3  -7.283   1.245   3.719
   27    HE2  TYR   3           HE1      TYR   3  -3.773   3.572   4.568
   28    HH   TYR   3           HH       TYR   3  -6.863   3.422   2.961
   29    H    GLU   4           H        GLU   4  -1.757  -2.793   6.620
   30    HA   GLU   4           HA       GLU   4  -0.142  -0.750   5.329
   31    HB2  GLU   4           1HB      GLU   4   0.498  -3.490   6.435
   32    HB3  GLU   4           2HB      GLU   4   1.696  -2.435   5.683
   33    HG2  GLU   4           1HG      GLU   4   1.238  -0.690   7.335
   34    HG3  GLU   4           2HG      GLU   4  -0.027  -1.679   8.058
   35    H    ASN   5           H        ASN   5  -2.231  -1.838   3.707
   36    HA   ASN   5           HA       ASN   5  -0.808  -3.522   1.740
   37    HB2  ASN   5           1HB      ASN   5  -3.726  -2.777   2.050
   38    HB3  ASN   5           2HB      ASN   5  -3.085  -3.712   0.700
   39   HD21  ASN   5          2HD2      ASN   5  -1.072  -4.928   2.787
   40   HD22  ASN   5          1HD2      ASN   5  -2.001  -6.129   3.539
   41    H    LYS   6           H        LYS   6  -1.067  -0.347   2.394
   42    HA   LYS   6           HA       LYS   6  -1.659   0.600  -0.301
   43    HB2  LYS   6           1HB      LYS   6  -2.228   1.749   2.013
   44    HB3  LYS   6           2HB      LYS   6  -0.598   2.399   1.861
   45    HG2  LYS   6           1HG      LYS   6  -1.163   3.304  -0.368
   46    HG3  LYS   6           2HG      LYS   6  -2.798   2.662  -0.211
   47    HD2  LYS   6           1HD      LYS   6  -3.079   4.035   1.869
   48    HD3  LYS   6           2HD      LYS   6  -1.502   4.761   1.550
   49    HE2  LYS   6           1HE      LYS   6  -3.847   4.827  -0.372
   50    HE3  LYS   6           2HE      LYS   6  -3.381   6.156   0.690
   51    HZ1  LYS   6           3HZ      LYS   6  -2.426   5.696  -1.821
   52    HZ2  LYS   6           1HZ      LYS   6  -1.176   5.138  -0.820
   53    HZ3  LYS   6           2HZ      LYS   6  -1.739   6.734  -0.667
   54    HA   PRO   7           HA       PRO   7   3.077   1.674   0.232
   55    HB2  PRO   7           1HB      PRO   7   3.957  -0.809   1.637
   56    HB3  PRO   7           2HB      PRO   7   4.473   0.870   1.900
   57    HG2  PRO   7           1HG      PRO   7   2.876  -0.370   3.636
   58    HG3  PRO   7           2HG      PRO   7   2.663   1.351   3.257
   59    HD2  PRO   7           1HD      PRO   7   1.075  -1.005   2.264
   60    HD3  PRO   7           2HD      PRO   7   0.508   0.598   2.773
   61    H    ARG   8           H        ARG   8   1.491  -1.242  -0.444
   62    HA   ARG   8           HA       ARG   8   3.513  -2.228  -2.329
   63    HB2  ARG   8           1HB      ARG   8   0.746  -3.252  -1.629
   64    HB3  ARG   8           2HB      ARG   8   1.857  -4.032  -2.753
   65    HG2  ARG   8           1HG      ARG   8   3.521  -4.277  -0.935
   66    HG3  ARG   8           2HG      ARG   8   2.391  -3.520   0.190
   67    HD2  ARG   8           1HD      ARG   8   1.778  -6.034  -1.383
   68    HD3  ARG   8           2HD      ARG   8   2.374  -6.034   0.274
   69    HE   ARG   8           HE       ARG   8   0.099  -4.381   0.157
   70   HH11  ARG   8          1HH2      ARG   8   1.041  -7.692  -0.190
   71   HH12  ARG   8          2HH2      ARG   8  -0.489  -8.324   0.320
   72   HH21  ARG   8          1HH1      ARG   8  -1.910  -5.202   0.823
   73   HH22  ARG   8          2HH1      ARG   8  -2.160  -6.914   0.893
   74    H    ARG   9           H        ARG   9   0.710  -0.368  -2.028
   75    HA   ARG   9           HA       ARG   9   0.517   0.029  -4.961
   76    HB2  ARG   9           1HB      ARG   9  -1.487  -1.126  -3.887
   77    HB3  ARG   9           2HB      ARG   9  -1.750   0.366  -2.983
   78    HG2  ARG   9           1HG      ARG   9  -1.933   1.628  -5.082
   79    HG3  ARG   9           2HG      ARG   9  -1.628   0.158  -6.007
   80    HD2  ARG   9           1HD      ARG   9  -4.072   0.783  -5.786
   81    HD3  ARG   9           2HD      ARG   9  -3.671  -0.845  -5.248
   82    HE   ARG   9           HE       ARG   9  -3.611   1.151  -3.145
   83   HH11  ARG   9          1HH2      ARG   9  -5.489  -1.124  -4.954
   84   HH12  ARG   9          2HH2      ARG   9  -6.684  -1.329  -3.718
   85   HH21  ARG   9          1HH1      ARG   9  -5.175   0.889  -1.521
   86   HH22  ARG   9          2HH1      ARG   9  -6.508  -0.188  -1.775
   87    HA   PRO  10           HA       PRO  10   1.869   3.783  -2.645
   88    HB2  PRO  10           1HB      PRO  10   3.229   4.450  -5.214
   89    HB3  PRO  10           2HB      PRO  10   3.901   4.372  -3.572
   90    HG2  PRO  10           1HG      PRO  10   4.448   2.506  -5.430
   91    HG3  PRO  10           2HG      PRO  10   4.314   2.110  -3.705
   92    HD2  PRO  10           1HD      PRO  10   2.312   1.659  -5.903
   93    HD3  PRO  10           2HD      PRO  10   2.730   0.620  -4.525
   94    H    TYR  11           H        TYR  11   2.098   6.186  -4.025
   95    HA   TYR  11           HA       TYR  11  -0.580   6.952  -4.431
   96    HB2  TYR  11           1HB      TYR  11   2.027   8.253  -5.250
   97    HB3  TYR  11           2HB      TYR  11   0.453   9.018  -5.473
   98    HD1  TYR  11           HD1      TYR  11   2.901   7.801  -2.986
   99    HD2  TYR  11           HD2      TYR  11  -0.832   9.836  -3.589
  100    HE1  TYR  11           HE1      TYR  11   2.934   8.558  -0.626
  101    HE2  TYR  11           HE2      TYR  11  -0.802  10.594  -1.227
  102    HH   TYR  11           HH       TYR  11   1.890   9.717   0.946
  103    H    ILE  12           H        ILE  12   2.020   6.163  -6.718
  104    HA   ILE  12           HA       ILE  12   0.138   6.309  -8.972
  105    HB   ILE  12           HB       ILE  12   3.137   5.906  -8.880
  106   HG12  ILE  12          1HG1      ILE  12   1.515   8.250  -9.912
  107   HG13  ILE  12          2HG1      ILE  12   2.188   8.188  -8.283
  108   HG21  ILE  12          1HG2      ILE  12   2.881   6.360 -11.384
  109   HG22  ILE  12          2HG2      ILE  12   1.157   6.054 -11.165
  110   HG23  ILE  12          3HG2      ILE  12   2.329   4.779 -10.830
  111   HD11  ILE  12          3HD1      ILE  12   3.726   9.389  -9.760
  112   HD12  ILE  12          1HD1      ILE  12   3.756   8.020 -10.872
  113   HD13  ILE  12          2HD1      ILE  12   4.453   7.860  -9.260
  114    H    LEU  13           H        LEU  13   2.834   4.079  -8.343
  115    HA   LEU  13           HA       LEU  13   1.258   1.761  -7.973
  116    HB2  LEU  13           1HB      LEU  13   1.016   2.516 -10.542
  117    HB3  LEU  13           2HB      LEU  13   2.526   1.634 -10.681
  118    HG   LEU  13           HG       LEU  13   0.729   0.095 -11.144
  119   HD11  LEU  13          1HD1      LEU  13   2.684  -0.566  -9.570
  120   HD12  LEU  13          2HD1      LEU  13   1.290  -1.642  -9.665
  121   HD13  LEU  13          3HD1      LEU  13   1.467  -0.549  -8.294
  122   HD21  LEU  13          3HD2      LEU  13  -1.248  -0.081  -9.965
  123   HD22  LEU  13          1HD2      LEU  13  -0.894   1.607  -9.613
  124   HD23  LEU  13          2HD2      LEU  13  -0.517   0.360  -8.426
  Start of MODEL    5
    1    H1   GLU   1           1H       GLU   1  -1.462  -4.955  10.809
    2    H2   GLU   1           2H       GLU   1   0.205  -5.282  10.832
    3    H3   GLU   1           3H       GLU   1  -0.872  -6.276  11.694
    4    HA   GLU   1           HA       GLU   1  -0.199  -6.278   8.871
    5    HB2  GLU   1           1HB      GLU   1   0.254  -8.076  10.650
    6    HB3  GLU   1           2HB      GLU   1  -1.477  -8.401  10.613
    7    HG2  GLU   1           1HG      GLU   1  -1.337  -8.882   8.189
    8    HG3  GLU   1           2HG      GLU   1   0.392  -8.551   8.229
    9    H    LEU   2           H        LEU   2  -2.271  -4.450   9.471
   10    HA   LEU   2           HA       LEU   2  -4.759  -5.810   8.631
   11    HB2  LEU   2           1HB      LEU   2  -4.309  -3.002   9.679
   12    HB3  LEU   2           2HB      LEU   2  -5.872  -3.722   9.298
   13    HG   LEU   2           HG       LEU   2  -3.928  -4.821  11.349
   14   HD11  LEU   2          1HD1      LEU   2  -5.379  -3.851  13.032
   15   HD12  LEU   2          2HD1      LEU   2  -6.509  -3.295  11.797
   16   HD13  LEU   2          3HD1      LEU   2  -4.905  -2.574  11.913
   17   HD21  LEU   2          3HD2      LEU   2  -6.665  -5.630  10.374
   18   HD22  LEU   2          1HD2      LEU   2  -6.220  -5.943  12.052
   19   HD23  LEU   2          2HD2      LEU   2  -5.271  -6.644  10.744
   20    H    TYR   3           H        TYR   3  -4.063  -2.437   8.054
   21    HA   TYR   3           HA       TYR   3  -4.405  -2.863   5.155
   22    HB2  TYR   3           1HB      TYR   3  -5.912  -1.273   6.381
   23    HB3  TYR   3           2HB      TYR   3  -4.496  -0.278   6.725
   24    HD1  TYR   3           HD1      TYR   3  -6.367  -1.868   3.900
   25    HD2  TYR   3           HD2      TYR   3  -3.753   1.309   5.141
   26    HE1  TYR   3           HE1      TYR   3  -6.571  -0.823   1.660
   27    HE2  TYR   3           HE2      TYR   3  -3.959   2.354   2.901
   28    HH   TYR   3           HH       TYR   3  -6.325   1.596   0.733
   29    H    GLU   4           H        GLU   4  -1.972  -3.677   5.993
   30    HA   GLU   4           HA       GLU   4  -0.036  -1.523   5.815
   31    HB2  GLU   4           1HB      GLU   4   1.625  -3.330   6.037
   32    HB3  GLU   4           2HB      GLU   4   0.391  -3.434   7.295
   33    HG2  GLU   4           1HG      GLU   4  -0.810  -5.143   5.985
   34    HG3  GLU   4           2HG      GLU   4   0.414  -5.048   4.723
   35    H    ASN   5           H        ASN   5  -1.902  -2.952   3.559
   36    HA   ASN   5           HA       ASN   5   0.117  -3.436   1.524
   37    HB2  ASN   5           1HB      ASN   5  -1.797  -3.925   0.070
   38    HB3  ASN   5           2HB      ASN   5  -1.920  -4.805   1.590
   39   HD21  ASN   5          2HD2      ASN   5  -4.325  -4.681   0.581
   40   HD22  ASN   5          1HD2      ASN   5  -5.268  -3.404   1.185
   41    H    LYS   6           H        LYS   6  -0.027  -0.755   2.691
   42    HA   LYS   6           HA       LYS   6  -1.207   0.943   0.656
   43    HB2  LYS   6           1HB      LYS   6  -1.116   1.497   3.130
   44    HB3  LYS   6           2HB      LYS   6   0.606   1.802   2.907
   45    HG2  LYS   6           1HG      LYS   6  -0.012   3.407   1.053
   46    HG3  LYS   6           2HG      LYS   6  -1.697   3.213   1.538
   47    HD2  LYS   6           1HD      LYS   6  -0.990   3.890   3.879
   48    HD3  LYS   6           2HD      LYS   6   0.579   4.320   3.198
   49    HE2  LYS   6           1HE      LYS   6  -0.736   6.333   3.236
   50    HE3  LYS   6           2HE      LYS   6  -0.646   5.806   1.557
   51    HZ1  LYS   6           3HZ      LYS   6  -2.922   6.410   2.773
   52    HZ2  LYS   6           1HZ      LYS   6  -2.862   4.749   3.110
   53    HZ3  LYS   6           2HZ      LYS   6  -2.818   5.291   1.501
   54    HA   PRO   7           HA       PRO   7   3.338   1.647  -0.425
   55    HB2  PRO   7           1HB      PRO   7   5.263  -0.062   0.423
   56    HB3  PRO   7           2HB      PRO   7   4.640   1.236   1.461
   57    HG2  PRO   7           1HG      PRO   7   4.096  -1.681   1.557
   58    HG3  PRO   7           2HG      PRO   7   4.126  -0.496   2.872
   59    HD2  PRO   7           1HD      PRO   7   1.809  -1.499   1.536
   60    HD3  PRO   7           2HD      PRO   7   1.857  -0.160   2.705
   61    H    ARG   8           H        ARG   8   1.507  -0.934  -0.945
   62    HA   ARG   8           HA       ARG   8   3.176  -2.109  -3.100
   63    HB2  ARG   8           1HB      ARG   8   0.629  -3.079  -1.772
   64    HB3  ARG   8           2HB      ARG   8   1.415  -3.881  -3.131
   65    HG2  ARG   8           1HG      ARG   8   3.469  -4.156  -1.767
   66    HG3  ARG   8           2HG      ARG   8   2.658  -3.376  -0.410
   67    HD2  ARG   8           1HD      ARG   8   0.931  -5.157  -0.441
   68    HD3  ARG   8           2HD      ARG   8   1.800  -5.958  -1.747
   69    HE   ARG   8           HE       ARG   8   2.591  -5.837   1.064
   70   HH11  ARG   8          1HH2      ARG   8   3.438  -6.558  -2.220
   71   HH12  ARG   8          2HH2      ARG   8   4.768  -7.579  -1.790
   72   HH21  ARG   8          1HH1      ARG   8   4.324  -7.170   1.623
   73   HH22  ARG   8          2HH1      ARG   8   5.261  -7.942   0.387
   74    H    ARG   9           H        ARG   9   0.509  -0.197  -2.234
   75    HA   ARG   9           HA       ARG   9  -0.308   0.123  -5.066
   76    HB2  ARG   9           1HB      ARG   9  -2.006  -1.003  -3.517
   77    HB3  ARG   9           2HB      ARG   9  -2.113   0.546  -2.682
   78    HG2  ARG   9           1HG      ARG   9  -2.647   1.622  -4.895
   79    HG3  ARG   9           2HG      ARG   9  -2.725   0.010  -5.602
   80    HD2  ARG   9           1HD      ARG   9  -4.420  -0.525  -3.727
   81    HD3  ARG   9           2HD      ARG   9  -4.502   1.217  -3.482
   82    HE   ARG   9           HE       ARG   9  -5.648   1.416  -5.508
   83   HH11  ARG   9          1HH2      ARG   9  -4.317  -1.754  -5.098
   84   HH12  ARG   9          2HH2      ARG   9  -5.207  -2.446  -6.413
   85   HH21  ARG   9          1HH1      ARG   9  -6.811   0.513  -7.238
   86   HH22  ARG   9          2HH1      ARG   9  -6.611  -1.164  -7.626
   87    HA   PRO  10           HA       PRO  10   1.209   4.019  -2.820
   88    HB2  PRO  10           1HB      PRO  10   3.258   4.633  -4.569
   89    HB3  PRO  10           2HB      PRO  10   3.470   3.623  -3.123
   90    HG2  PRO  10           1HG      PRO  10   3.042   2.774  -5.962
   91    HG3  PRO  10           2HG      PRO  10   4.206   2.163  -4.769
   92    HD2  PRO  10           1HD      PRO  10   1.923   0.822  -5.271
   93    HD3  PRO  10           2HD      PRO  10   2.587   0.927  -3.620
   94    H    TYR  11           H        TYR  11   0.744   6.172  -3.549
   95    HA   TYR  11           HA       TYR  11  -1.297   6.660  -5.256
   96    HB2  TYR  11           1HB      TYR  11   1.130   8.439  -4.905
   97    HB3  TYR  11           2HB      TYR  11  -0.443   8.965  -5.506
   98    HD1  TYR  11           HD1      TYR  11   1.443   7.812  -2.563
   99    HD2  TYR  11           HD2      TYR  11  -2.381   9.123  -4.022
  100    HE1  TYR  11           HE1      TYR  11   0.653   8.107  -0.230
  101    HE2  TYR  11           HE2      TYR  11  -3.167   9.421  -1.690
  102    HH   TYR  11           HH       TYR  11  -2.236   9.778   0.530
  103    H    ILE  12           H        ILE  12   2.123   6.464  -6.155
  104    HA   ILE  12           HA       ILE  12   1.373   6.470  -9.028
  105    HB   ILE  12           HB       ILE  12   4.068   6.898  -7.701
  106   HG12  ILE  12          1HG1      ILE  12   2.386   8.864  -9.279
  107   HG13  ILE  12          2HG1      ILE  12   2.313   8.750  -7.521
  108   HG21  ILE  12          1HG2      ILE  12   4.713   7.563 -10.057
  109   HG22  ILE  12          2HG2      ILE  12   3.175   6.891 -10.596
  110   HG23  ILE  12          3HG2      ILE  12   4.380   5.846  -9.848
  111   HD11  ILE  12          3HD1      ILE  12   3.929  10.492  -8.480
  112   HD12  ILE  12          1HD1      ILE  12   4.922   9.130  -9.001
  113   HD13  ILE  12          2HD1      ILE  12   4.599   9.382  -7.285
  114    H    LEU  13           H        LEU  13   0.634   4.278  -8.913
  115    HA   LEU  13           HA       LEU  13   1.793   2.065  -7.887
  116    HB2  LEU  13           1HB      LEU  13   0.897   1.852 -10.741
  117    HB3  LEU  13           2HB      LEU  13   0.543   0.805  -9.367
  118    HG   LEU  13           HG       LEU  13  -0.692   3.003  -8.455
  119   HD11  LEU  13          1HD1      LEU  13  -1.494   4.485 -10.070
  120   HD12  LEU  13          2HD1      LEU  13  -1.239   3.353 -11.398
  121   HD13  LEU  13          3HD1      LEU  13   0.135   4.177 -10.665
  122   HD21  LEU  13          3HD2      LEU  13  -1.703   0.979 -10.462
  123   HD22  LEU  13          1HD2      LEU  13  -2.779   2.176  -9.738
  124   HD23  LEU  13          2HD2      LEU  13  -1.944   1.007  -8.716
  Start of MODEL    6
    1    H1   GLU   1           1H       GLU   1  -1.858  -8.096  11.493
    2    H2   GLU   1           2H       GLU   1  -0.746  -6.852  11.807
    3    H3   GLU   1           3H       GLU   1  -0.196  -8.389  11.339
    4    HA   GLU   1           HA       GLU   1  -0.232  -6.537   9.596
    5    HB2  GLU   1           1HB      GLU   1  -1.154  -8.294   7.896
    6    HB3  GLU   1           2HB      GLU   1   0.291  -8.690   8.825
    7    HG2  GLU   1           1HG      GLU   1  -1.050  -9.954  10.435
    8    HG3  GLU   1           2HG      GLU   1  -2.530  -9.501   9.591
    9    H    LEU   2           H        LEU   2  -1.571  -4.806   9.576
   10    HA   LEU   2           HA       LEU   2  -4.486  -5.224   9.328
   11    HB2  LEU   2           1HB      LEU   2  -2.959  -2.653   9.812
   12    HB3  LEU   2           2HB      LEU   2  -4.702  -2.889   9.931
   13    HG   LEU   2           HG       LEU   2  -2.622  -4.264  11.659
   14   HD11  LEU   2          1HD1      LEU   2  -2.872  -1.859  12.161
   15   HD12  LEU   2          2HD1      LEU   2  -3.545  -2.846  13.459
   16   HD13  LEU   2          3HD1      LEU   2  -4.618  -2.068  12.294
   17   HD21  LEU   2          3HD2      LEU   2  -5.627  -4.471  11.438
   18   HD22  LEU   2          1HD2      LEU   2  -4.832  -4.773  12.984
   19   HD23  LEU   2          2HD2      LEU   2  -4.436  -5.764  11.583
   20    H    TYR   3           H        TYR   3  -4.344  -2.324   8.214
   21    HA   TYR   3           HA       TYR   3  -4.414  -3.142   5.419
   22    HB2  TYR   3           1HB      TYR   3  -6.142  -1.630   6.382
   23    HB3  TYR   3           2HB      TYR   3  -4.894  -0.415   6.653
   24    HD1  TYR   3           HD2      TYR   3  -6.484  -2.499   3.988
   25    HD2  TYR   3           HD1      TYR   3  -4.246   1.051   4.905
   26    HE1  TYR   3           HE2      TYR   3  -6.736  -1.733   1.643
   27    HE2  TYR   3           HE1      TYR   3  -4.498   1.816   2.561
   28    HH   TYR   3           HH       TYR   3  -5.671  -0.247   0.072
   29    H    GLU   4           H        GLU   4  -1.887  -3.482   6.306
   30    HA   GLU   4           HA       GLU   4  -0.275  -1.128   5.724
   31    HB2  GLU   4           1HB      GLU   4   1.629  -2.604   6.216
   32    HB3  GLU   4           2HB      GLU   4   0.421  -2.679   7.500
   33    HG2  GLU   4           1HG      GLU   4  -0.514  -4.738   6.466
   34    HG3  GLU   4           2HG      GLU   4   0.757  -4.682   5.246
   35    H    ASN   5           H        ASN   5  -2.023  -2.370   3.651
   36    HA   ASN   5           HA       ASN   5  -0.031  -3.303   1.676
   37    HB2  ASN   5           1HB      ASN   5  -1.932  -4.071   0.381
   38    HB3  ASN   5           2HB      ASN   5  -2.074  -4.677   2.030
   39   HD21  ASN   5          2HD2      ASN   5  -4.455  -4.658   0.788
   40   HD22  ASN   5          1HD2      ASN   5  -5.408  -3.330   1.242
   41    H    LYS   6           H        LYS   6  -0.444  -0.471   2.598
   42    HA   LYS   6           HA       LYS   6  -1.619   0.872   0.314
   43    HB2  LYS   6           1HB      LYS   6  -1.826   1.754   2.642
   44    HB3  LYS   6           2HB      LYS   6  -0.090   2.064   2.635
   45    HG2  LYS   6           1HG      LYS   6  -0.274   3.675   0.895
   46    HG3  LYS   6           2HG      LYS   6  -1.915   3.172   0.496
   47    HD2  LYS   6           1HD      LYS   6  -2.014   5.252   1.760
   48    HD3  LYS   6           2HD      LYS   6  -2.660   3.945   2.751
   49    HE2  LYS   6           1HE      LYS   6   0.256   4.708   2.928
   50    HE3  LYS   6           2HE      LYS   6  -0.966   5.588   3.845
   51    HZ1  LYS   6           3HZ      LYS   6  -1.425   2.829   4.112
   52    HZ2  LYS   6           1HZ      LYS   6  -1.025   3.956   5.316
   53    HZ3  LYS   6           2HZ      LYS   6   0.206   3.145   4.471
   54    HA   PRO   7           HA       PRO   7   2.914   1.877  -0.551
   55    HB2  PRO   7           1HB      PRO   7   4.915   0.422   0.546
   56    HB3  PRO   7           2HB      PRO   7   4.133   1.750   1.429
   57    HG2  PRO   7           1HG      PRO   7   3.795  -1.188   1.746
   58    HG3  PRO   7           2HG      PRO   7   3.706   0.096   2.963
   59    HD2  PRO   7           1HD      PRO   7   1.500  -1.159   1.687
   60    HD3  PRO   7           2HD      PRO   7   1.432   0.315   2.678
   61    H    ARG   8           H        ARG   8   1.358  -0.939  -0.809
   62    HA   ARG   8           HA       ARG   8   3.193  -2.280  -2.673
   63    HB2  ARG   8           1HB      ARG   8   0.423  -2.956  -1.644
   64    HB3  ARG   8           2HB      ARG   8   1.267  -3.905  -2.865
   65    HG2  ARG   8           1HG      ARG   8   3.110  -4.326  -1.299
   66    HG3  ARG   8           2HG      ARG   8   2.319  -3.329  -0.077
   67    HD2  ARG   8           1HD      ARG   8   0.391  -4.864  -0.068
   68    HD3  ARG   8           2HD      ARG   8   1.174  -5.861  -1.291
   69    HE   ARG   8           HE       ARG   8   2.808  -5.491   1.051
   70   HH11  ARG   8          1HH2      ARG   8   0.222  -7.275  -0.397
   71   HH12  ARG   8          2HH2      ARG   8   0.425  -8.662   0.621
   72   HH21  ARG   8          1HH1      ARG   8   3.077  -7.304   2.393
   73   HH22  ARG   8          2HH1      ARG   8   2.041  -8.680   2.198
   74    H    ARG   9           H        ARG   9   0.370  -0.351  -2.401
   75    HA   ARG   9           HA       ARG   9   0.168  -0.068  -5.346
   76    HB2  ARG   9           1HB      ARG   9  -2.273   0.661  -4.677
   77    HB3  ARG   9           2HB      ARG   9  -1.883  -1.052  -4.827
   78    HG2  ARG   9           1HG      ARG   9  -1.626  -1.294  -2.456
   79    HG3  ARG   9           2HG      ARG   9  -1.699   0.450  -2.207
   80    HD2  ARG   9           1HD      ARG   9  -4.003  -1.008  -3.498
   81    HD3  ARG   9           2HD      ARG   9  -3.837  -0.969  -1.748
   82    HE   ARG   9           HE       ARG   9  -4.193   1.377  -1.782
   83   HH11  ARG   9          1HH2      ARG   9  -4.283  -0.065  -4.945
   84   HH12  ARG   9          2HH2      ARG   9  -5.025   1.310  -5.688
   85   HH21  ARG   9          1HH1      ARG   9  -5.156   3.169  -2.770
   86   HH22  ARG   9          2HH1      ARG   9  -5.514   3.135  -4.464
   87    HA   PRO  10           HA       PRO  10   1.240   3.875  -3.131
   88    HB2  PRO  10           1HB      PRO  10   3.287   4.689  -4.763
   89    HB3  PRO  10           2HB      PRO  10   3.521   3.561  -3.409
   90    HG2  PRO  10           1HG      PRO  10   3.232   2.977  -6.325
   91    HG3  PRO  10           2HG      PRO  10   4.347   2.268  -5.140
   92    HD2  PRO  10           1HD      PRO  10   2.048   1.017  -5.947
   93    HD3  PRO  10           2HD      PRO  10   2.750   0.782  -4.328
   94    H    TYR  11           H        TYR  11   0.989   6.132  -3.932
   95    HA   TYR  11           HA       TYR  11  -1.141   6.472  -5.687
   96    HB2  TYR  11           1HB      TYR  11   1.074   8.431  -5.026
   97    HB3  TYR  11           2HB      TYR  11  -0.452   8.854  -5.799
   98    HD1  TYR  11           HD2      TYR  11  -2.614   8.503  -4.569
   99    HD2  TYR  11           HD1      TYR  11   1.211   8.055  -2.666
  100    HE1  TYR  11           HE2      TYR  11  -3.699   8.672  -2.346
  101    HE2  TYR  11           HE1      TYR  11   0.125   8.224  -0.443
  102    HH   TYR  11           HH       TYR  11  -2.041   7.924   0.573
  103    H    ILE  12           H        ILE  12   2.346   6.694  -6.322
  104    HA   ILE  12           HA       ILE  12   2.079   7.348  -9.082
  105    HB   ILE  12           HB       ILE  12   4.385   6.154  -7.529
  106   HG12  ILE  12          1HG1      ILE  12   3.972   8.972  -8.561
  107   HG13  ILE  12          2HG1      ILE  12   3.539   8.476  -6.926
  108   HG21  ILE  12          1HG2      ILE  12   4.172   7.204 -10.362
  109   HG22  ILE  12          2HG2      ILE  12   4.728   5.613  -9.844
  110   HG23  ILE  12          3HG2      ILE  12   5.710   7.041  -9.514
  111   HD11  ILE  12          3HD1      ILE  12   5.769   9.444  -6.878
  112   HD12  ILE  12          1HD1      ILE  12   6.298   8.375  -8.177
  113   HD13  ILE  12          2HD1      ILE  12   5.901   7.708  -6.593
  114    H    LEU  13           H        LEU  13   1.893   4.417  -7.280
  115    HA   LEU  13           HA       LEU  13   1.566   2.231  -7.866
  116    HB2  LEU  13           1HB      LEU  13   0.633   3.534 -10.428
  117    HB3  LEU  13           2HB      LEU  13   0.478   1.816 -10.089
  118    HG   LEU  13           HG       LEU  13  -0.652   3.984  -8.298
  119   HD11  LEU  13          1HD1      LEU  13  -1.743   4.106 -10.475
  120   HD12  LEU  13          2HD1      LEU  13  -2.845   3.374  -9.310
  121   HD13  LEU  13          3HD1      LEU  13  -1.996   2.360 -10.477
  122   HD21  LEU  13          3HD2      LEU  13  -0.761   0.970  -8.344
  123   HD22  LEU  13          1HD2      LEU  13  -2.140   1.865  -7.708
  124   HD23  LEU  13          2HD2      LEU  13  -0.555   2.053  -6.973
  Start of MODEL    7
    1    H1   GLU   1           1H       GLU   1  -0.242  -5.862   6.635
    2    H2   GLU   1           2H       GLU   1   0.480  -6.939   7.733
    3    H3   GLU   1           3H       GLU   1  -0.621  -5.769   8.285
    4    HA   GLU   1           HA       GLU   1  -1.426  -7.821   6.322
    5    HB2  GLU   1           1HB      GLU   1  -0.468  -8.943   8.335
    6    HB3  GLU   1           2HB      GLU   1  -1.579  -8.024   9.348
    7    HG2  GLU   1           1HG      GLU   1  -2.564 -10.191   8.980
    8    HG3  GLU   1           2HG      GLU   1  -3.486  -9.033   8.027
    9    H    LEU   2           H        LEU   2  -2.064  -5.374   8.764
   10    HA   LEU   2           HA       LEU   2  -4.938  -5.449   8.353
   11    HB2  LEU   2           1HB      LEU   2  -3.977  -4.930  10.568
   12    HB3  LEU   2           2HB      LEU   2  -3.218  -3.490   9.900
   13    HG   LEU   2           HG       LEU   2  -5.481  -2.624   9.285
   14   HD11  LEU   2          1HD1      LEU   2  -6.295  -5.263  10.487
   15   HD12  LEU   2          2HD1      LEU   2  -6.912  -4.455   9.044
   16   HD13  LEU   2          3HD1      LEU   2  -7.376  -3.876  10.640
   17   HD21  LEU   2          3HD2      LEU   2  -5.215  -3.393  12.208
   18   HD22  LEU   2          1HD2      LEU   2  -6.123  -2.025  11.564
   19   HD23  LEU   2          2HD2      LEU   2  -4.363  -2.050  11.444
   20    H    TYR   3           H        TYR   3  -3.321  -2.372   8.552
   21    HA   TYR   3           HA       TYR   3  -4.390  -1.646   5.890
   22    HB2  TYR   3           1HB      TYR   3  -5.213  -0.315   7.798
   23    HB3  TYR   3           2HB      TYR   3  -3.554   0.124   8.205
   24    HD1  TYR   3           HD1      TYR   3  -6.040   0.241   5.410
   25    HD2  TYR   3           HD2      TYR   3  -2.537   1.992   7.177
   26    HE1  TYR   3           HE1      TYR   3  -6.138   2.096   3.769
   27    HE2  TYR   3           HE2      TYR   3  -2.637   3.846   5.535
   28    HH   TYR   3           HH       TYR   3  -4.885   4.870   4.055
   29    H    GLU   4           H        GLU   4  -1.749  -2.994   6.723
   30    HA   GLU   4           HA       GLU   4   0.258  -1.048   5.927
   31    HB2  GLU   4           1HB      GLU   4   0.399  -3.992   6.599
   32    HB3  GLU   4           2HB      GLU   4   1.801  -3.022   6.141
   33    HG2  GLU   4           1HG      GLU   4   1.412  -1.514   8.025
   34    HG3  GLU   4           2HG      GLU   4  -0.048  -2.399   8.461
   35    H    ASN   5           H        ASN   5  -1.952  -2.008   4.081
   36    HA   ASN   5           HA       ASN   5  -0.378  -3.268   1.927
   37    HB2  ASN   5           1HB      ASN   5  -3.336  -2.771   2.302
   38    HB3  ASN   5           2HB      ASN   5  -2.643  -3.386   0.802
   39   HD21  ASN   5          2HD2      ASN   5  -4.473  -4.948   2.375
   40   HD22  ASN   5          1HD2      ASN   5  -3.625  -6.281   2.999
   41    H    LYS   6           H        LYS   6  -0.491  -0.316   2.984
   42    HA   LYS   6           HA       LYS   6  -1.359   1.134   0.623
   43    HB2  LYS   6           1HB      LYS   6  -1.622   1.962   3.003
   44    HB3  LYS   6           2HB      LYS   6   0.119   2.242   3.006
   45    HG2  LYS   6           1HG      LYS   6  -0.075   3.752   1.102
   46    HG3  LYS   6           2HG      LYS   6  -1.800   3.410   0.970
   47    HD2  LYS   6           1HD      LYS   6  -1.449   5.538   2.145
   48    HD3  LYS   6           2HD      LYS   6  -2.148   4.344   3.238
   49    HE2  LYS   6           1HE      LYS   6   0.846   4.590   3.109
   50    HE3  LYS   6           2HE      LYS   6  -0.072   5.799   4.008
   51    HZ1  LYS   6           3HZ      LYS   6   0.705   3.417   4.988
   52    HZ2  LYS   6           1HZ      LYS   6  -0.889   3.083   4.516
   53    HZ3  LYS   6           2HZ      LYS   6  -0.575   4.349   5.604
   54    HA   PRO   7           HA       PRO   7   3.292   1.762   0.135
   55    HB2  PRO   7           1HB      PRO   7   5.077   0.235   1.458
   56    HB3  PRO   7           2HB      PRO   7   4.263   1.602   2.249
   57    HG2  PRO   7           1HG      PRO   7   3.752  -1.316   2.523
   58    HG3  PRO   7           2HG      PRO   7   3.600  -0.027   3.728
   59    HD2  PRO   7           1HD      PRO   7   1.481  -1.160   2.200
   60    HD3  PRO   7           2HD      PRO   7   1.380   0.300   3.205
   61    H    ARG   8           H        ARG   8   1.542  -0.824  -0.414
   62    HA   ARG   8           HA       ARG   8   3.525  -2.262  -2.088
   63    HB2  ARG   8           1HB      ARG   8   0.778  -3.047  -1.082
   64    HB3  ARG   8           2HB      ARG   8   1.658  -3.955  -2.309
   65    HG2  ARG   8           1HG      ARG   8   3.535  -4.274  -0.729
   66    HG3  ARG   8           2HG      ARG   8   2.643  -3.380   0.503
   67    HD2  ARG   8           1HD      ARG   8   0.845  -5.048   0.442
   68    HD3  ARG   8           2HD      ARG   8   1.684  -5.926  -0.833
   69    HE   ARG   8           HE       ARG   8   3.217  -6.724   0.758
   70   HH11  ARG   8          1HH2      ARG   8   1.055  -4.367   2.089
   71   HH12  ARG   8          2HH2      ARG   8   1.483  -4.705   3.732
   72   HH21  ARG   8          1HH1      ARG   8   3.779  -7.167   2.909
   73   HH22  ARG   8          2HH1      ARG   8   3.025  -6.288   4.196
   74    H    ARG   9           H        ARG   9   0.757  -0.276  -1.922
   75    HA   ARG   9           HA       ARG   9   0.554  -0.188  -4.882
   76    HB2  ARG   9           1HB      ARG   9  -1.659   0.183  -2.842
   77    HB3  ARG   9           2HB      ARG   9  -1.828   0.395  -4.585
   78    HG2  ARG   9           1HG      ARG   9  -1.123  -1.975  -4.907
   79    HG3  ARG   9           2HG      ARG   9  -1.079  -2.172  -3.155
   80    HD2  ARG   9           1HD      ARG   9  -3.548  -1.206  -4.602
   81    HD3  ARG   9           2HD      ARG   9  -3.229  -2.917  -4.333
   82    HE   ARG   9           HE       ARG   9  -2.958  -1.673  -1.859
   83   HH11  ARG   9          1HH2      ARG   9  -5.377  -2.114  -4.295
   84   HH12  ARG   9          2HH2      ARG   9  -6.702  -2.069  -3.181
   85   HH21  ARG   9          1HH1      ARG   9  -4.691  -1.615  -0.393
   86   HH22  ARG   9          2HH1      ARG   9  -6.314  -1.788  -0.973
   87    HA   PRO  10           HA       PRO  10   2.077   3.805  -3.065
   88    HB2  PRO  10           1HB      PRO  10   3.012   4.048  -5.910
   89    HB3  PRO  10           2HB      PRO  10   3.879   4.417  -4.404
   90    HG2  PRO  10           1HG      PRO  10   4.429   2.214  -5.781
   91    HG3  PRO  10           2HG      PRO  10   4.405   2.198  -4.008
   92    HD2  PRO  10           1HD      PRO  10   2.352   1.140  -5.930
   93    HD3  PRO  10           2HD      PRO  10   2.875   0.487  -4.364
   94    H    TYR  11           H        TYR  11   1.928   6.103  -4.413
   95    HA   TYR  11           HA       TYR  11  -0.818   6.650  -4.656
   96    HB2  TYR  11           1HB      TYR  11   1.563   8.184  -5.729
   97    HB3  TYR  11           2HB      TYR  11  -0.082   8.814  -5.636
   98    HD1  TYR  11           HD2      TYR  11   2.815   7.629  -3.653
   99    HD2  TYR  11           HD1      TYR  11  -1.053   9.495  -3.538
  100    HE1  TYR  11           HE2      TYR  11   3.193   8.267  -1.287
  101    HE2  TYR  11           HE1      TYR  11  -0.675  10.130  -1.170
  102    HH   TYR  11           HH       TYR  11   2.075  10.357   0.253
  103    H    ILE  12           H        ILE  12   1.676   6.181  -7.155
  104    HA   ILE  12           HA       ILE  12  -0.419   6.081  -9.232
  105    HB   ILE  12           HB       ILE  12   1.524   7.545  -9.644
  106   HG12  ILE  12          1HG1      ILE  12   1.625   5.109 -11.441
  107   HG13  ILE  12          2HG1      ILE  12   0.313   6.287 -11.488
  108   HG21  ILE  12          1HG2      ILE  12   3.741   6.742  -9.754
  109   HG22  ILE  12          2HG2      ILE  12   3.228   5.057  -9.818
  110   HG23  ILE  12          3HG2      ILE  12   3.089   5.966  -8.312
  111   HD11  ILE  12          3HD1      ILE  12   2.104   6.750 -13.178
  112   HD12  ILE  12          1HD1      ILE  12   3.244   6.977 -11.850
  113   HD13  ILE  12          2HD1      ILE  12   1.875   8.074 -12.034
  114    H    LEU  13           H        LEU  13   2.375   4.239  -8.039
  115    HA   LEU  13           HA       LEU  13   1.309   1.735  -7.950
  116    HB2  LEU  13           1HB      LEU  13   1.681   2.564 -10.743
  117    HB3  LEU  13           2HB      LEU  13   2.611   1.118 -10.384
  118    HG   LEU  13           HG       LEU  13  -0.301   1.324  -9.580
  119   HD11  LEU  13          1HD1      LEU  13  -0.383   1.715 -11.939
  120   HD12  LEU  13          2HD1      LEU  13  -0.716  -0.003 -11.718
  121   HD13  LEU  13          3HD1      LEU  13   0.880   0.524 -12.249
  122   HD21  LEU  13          3HD2      LEU  13   1.293  -0.475  -8.693
  123   HD22  LEU  13          1HD2      LEU  13   1.373  -1.081 -10.346
  124   HD23  LEU  13          2HD2      LEU  13  -0.167  -1.065  -9.486
  Start of MODEL    8
    1    H1   GLU   1           1H       GLU   1  -2.473  -7.262  11.485
    2    H2   GLU   1           2H       GLU   1  -1.037  -6.371  11.310
    3    H3   GLU   1           3H       GLU   1  -0.994  -8.069  11.291
    4    HA   GLU   1           HA       GLU   1  -0.908  -6.694   9.079
    5    HB2  GLU   1           1HB      GLU   1  -0.872  -9.172   9.334
    6    HB3  GLU   1           2HB      GLU   1  -2.633  -9.165   9.435
    7    HG2  GLU   1           1HG      GLU   1  -2.771  -8.179   7.185
    8    HG3  GLU   1           2HG      GLU   1  -1.014  -8.132   7.089
    9    H    LEU   2           H        LEU   2  -2.203  -4.731   9.614
   10    HA   LEU   2           HA       LEU   2  -5.094  -4.996   9.051
   11    HB2  LEU   2           1HB      LEU   2  -3.454  -2.691  10.134
   12    HB3  LEU   2           2HB      LEU   2  -5.187  -2.625   9.821
   13    HG   LEU   2           HG       LEU   2  -3.864  -4.622  11.685
   14   HD11  LEU   2          1HD1      LEU   2  -3.581  -2.423  12.630
   15   HD12  LEU   2          2HD1      LEU   2  -4.924  -3.189  13.478
   16   HD13  LEU   2          3HD1      LEU   2  -5.241  -1.979  12.235
   17   HD21  LEU   2          3HD2      LEU   2  -6.708  -4.037  10.864
   18   HD22  LEU   2          1HD2      LEU   2  -6.394  -4.609  12.502
   19   HD23  LEU   2          2HD2      LEU   2  -5.918  -5.592  11.124
   20    H    TYR   3           H        TYR   3  -3.520  -1.999   8.472
   21    HA   TYR   3           HA       TYR   3  -4.026  -2.272   5.568
   22    HB2  TYR   3           1HB      TYR   3  -5.145  -0.431   6.954
   23    HB3  TYR   3           2HB      TYR   3  -3.542   0.291   7.094
   24    HD1  TYR   3           HD1      TYR   3  -6.073  -0.899   4.626
   25    HD2  TYR   3           HD2      TYR   3  -2.622   1.566   5.311
   26    HE1  TYR   3           HE1      TYR   3  -6.337   0.097   2.370
   27    HE2  TYR   3           HE2      TYR   3  -2.887   2.561   3.056
   28    HH   TYR   3           HH       TYR   3  -4.836   2.901   1.415
   29    H    GLU   4           H        GLU   4  -1.800  -3.565   6.193
   30    HA   GLU   4           HA       GLU   4   0.521  -1.815   6.131
   31    HB2  GLU   4           1HB      GLU   4   1.817  -3.863   6.238
   32    HB3  GLU   4           2HB      GLU   4   0.512  -3.949   7.420
   33    HG2  GLU   4           1HG      GLU   4  -0.839  -5.259   5.787
   34    HG3  GLU   4           2HG      GLU   4   0.529  -5.244   4.675
   35    H    ASN   5           H        ASN   5  -1.627  -3.011   3.861
   36    HA   ASN   5           HA       ASN   5   0.291  -3.402   1.708
   37    HB2  ASN   5           1HB      ASN   5  -1.652  -3.852   0.332
   38    HB3  ASN   5           2HB      ASN   5  -1.820  -4.720   1.856
   39   HD21  ASN   5          2HD2      ASN   5  -4.158  -4.198   0.430
   40   HD22  ASN   5          1HD2      ASN   5  -5.055  -2.988   1.212
   41    H    LYS   6           H        LYS   6   0.688  -0.914   2.751
   42    HA   LYS   6           HA       LYS   6  -0.785   1.052   1.194
   43    HB2  LYS   6           1HB      LYS   6   0.014   1.403   3.590
   44    HB3  LYS   6           2HB      LYS   6   1.637   1.572   2.921
   45    HG2  LYS   6           1HG      LYS   6   0.704   3.345   1.367
   46    HG3  LYS   6           2HG      LYS   6  -0.787   3.278   2.307
   47    HD2  LYS   6           1HD      LYS   6   1.971   3.972   3.362
   48    HD3  LYS   6           2HD      LYS   6   0.621   5.087   3.152
   49    HE2  LYS   6           1HE      LYS   6  -0.672   3.444   4.723
   50    HE3  LYS   6           2HE      LYS   6   0.937   2.870   5.165
   51    HZ1  LYS   6           3HZ      LYS   6   1.401   5.402   5.422
   52    HZ2  LYS   6           1HZ      LYS   6   0.631   4.546   6.668
   53    HZ3  LYS   6           2HZ      LYS   6  -0.286   5.502   5.602
   54    HA   PRO   7           HA       PRO   7   3.379   1.316  -1.015
   55    HB2  PRO   7           1HB      PRO   7   5.266  -0.588  -0.715
   56    HB3  PRO   7           2HB      PRO   7   5.050   0.699   0.489
   57    HG2  PRO   7           1HG      PRO   7   4.236  -2.157   0.615
   58    HG3  PRO   7           2HG      PRO   7   4.753  -1.073   1.916
   59    HD2  PRO   7           1HD      PRO   7   2.066  -1.740   1.243
   60    HD3  PRO   7           2HD      PRO   7   2.581  -0.463   2.368
   61    H    ARG   8           H        ARG   8   1.222  -1.058  -1.018
   62    HA   ARG   8           HA       ARG   8   2.122  -2.503  -3.414
   63    HB2  ARG   8           1HB      ARG   8  -0.495  -2.704  -1.891
   64    HB3  ARG   8           2HB      ARG   8   0.089  -3.816  -3.127
   65    HG2  ARG   8           1HG      ARG   8   1.660  -3.299  -0.598
   66    HG3  ARG   8           2HG      ARG   8   0.400  -4.529  -0.666
   67    HD2  ARG   8           1HD      ARG   8   1.587  -5.552  -2.626
   68    HD3  ARG   8           2HD      ARG   8   2.893  -4.396  -2.388
   69    HE   ARG   8           HE       ARG   8   2.252  -5.902  -0.010
   70   HH11  ARG   8          1HH2      ARG   8   4.011  -5.806  -2.989
   71   HH12  ARG   8          2HH2      ARG   8   5.241  -6.904  -2.458
   72   HH21  ARG   8          1HH1      ARG   8   3.863  -7.344   0.693
   73   HH22  ARG   8          2HH1      ARG   8   5.157  -7.775  -0.374
   74    H    ARG   9           H        ARG   9   0.070  -0.024  -2.242
   75    HA   ARG   9           HA       ARG   9  -0.873   0.604  -4.987
   76    HB2  ARG   9           1HB      ARG   9  -2.804   1.743  -3.745
   77    HB3  ARG   9           2HB      ARG   9  -2.823  -0.021  -3.785
   78    HG2  ARG   9           1HG      ARG   9  -1.822  -0.106  -1.550
   79    HG3  ARG   9           2HG      ARG   9  -1.733   1.655  -1.506
   80    HD2  ARG   9           1HD      ARG   9  -3.737   0.588  -0.316
   81    HD3  ARG   9           2HD      ARG   9  -4.097   1.882  -1.455
   82    HE   ARG   9           HE       ARG   9  -4.171  -0.767  -2.624
   83   HH11  ARG   9          1HH2      ARG   9  -5.885   1.710  -0.921
   84   HH12  ARG   9          2HH2      ARG   9  -7.447   1.196  -1.465
   85   HH21  ARG   9          1HH1      ARG   9  -6.215  -1.447  -3.342
   86   HH22  ARG   9          2HH1      ARG   9  -7.634  -0.592  -2.837
   87    HA   PRO  10           HA       PRO  10   1.745   3.926  -2.862
   88    HB2  PRO  10           1HB      PRO  10   3.522   4.266  -4.984
   89    HB3  PRO  10           2HB      PRO  10   3.799   3.186  -3.601
   90    HG2  PRO  10           1HG      PRO  10   2.793   2.542  -6.336
   91    HG3  PRO  10           2HG      PRO  10   3.922   1.641  -5.308
   92    HD2  PRO  10           1HD      PRO  10   1.338   0.896  -5.569
   93    HD3  PRO  10           2HD      PRO  10   2.226   0.686  -4.045
   94    H    TYR  11           H        TYR  11  -0.718   3.921  -4.701
   95    HA   TYR  11           HA       TYR  11  -1.907   5.418  -5.989
   96    HB2  TYR  11           1HB      TYR  11  -1.367   6.833  -3.960
   97    HB3  TYR  11           2HB      TYR  11   0.017   7.463  -4.853
   98    HD1  TYR  11           HD2      TYR  11  -3.693   7.086  -4.978
   99    HD2  TYR  11           HD1      TYR  11  -0.255   9.194  -6.458
  100    HE1  TYR  11           HE2      TYR  11  -5.180   8.707  -6.121
  101    HE2  TYR  11           HE1      TYR  11  -1.743  10.815  -7.603
  102    HH   TYR  11           HH       TYR  11  -5.292  10.530  -7.370
  103    H    ILE  12           H        ILE  12  -0.390   4.063  -7.538
  104    HA   ILE  12           HA       ILE  12   0.718   3.979  -9.526
  105    HB   ILE  12           HB       ILE  12   0.042   6.932  -9.596
  106   HG12  ILE  12          1HG1      ILE  12  -1.243   4.601 -11.041
  107   HG13  ILE  12          2HG1      ILE  12  -1.851   5.233  -9.510
  108   HG21  ILE  12          1HG2      ILE  12   1.192   5.044 -11.659
  109   HG22  ILE  12          2HG2      ILE  12   1.851   6.589 -11.117
  110   HG23  ILE  12          3HG2      ILE  12   0.385   6.550 -12.098
  111   HD11  ILE  12          3HD1      ILE  12  -2.142   7.453 -10.525
  112   HD12  ILE  12          1HD1      ILE  12  -3.038   6.240 -11.436
  113   HD13  ILE  12          2HD1      ILE  12  -1.503   6.851 -12.054
  114    H    LEU  13           H        LEU  13   2.680   3.405  -8.680
  115    HA   LEU  13           HA       LEU  13   4.584   4.769  -7.350
  116    HB2  LEU  13           1HB      LEU  13   4.617   2.385  -8.370
  117    HB3  LEU  13           2HB      LEU  13   5.348   3.147  -9.778
  118    HG   LEU  13           HG       LEU  13   7.197   2.412  -8.532
  119   HD11  LEU  13          1HD1      LEU  13   7.396   4.826  -9.122
  120   HD12  LEU  13          2HD1      LEU  13   8.345   4.369  -7.714
  121   HD13  LEU  13          3HD1      LEU  13   6.831   5.235  -7.500
  122   HD21  LEU  13          3HD2      LEU  13   7.432   2.593  -6.122
  123   HD22  LEU  13          1HD2      LEU  13   5.900   1.813  -6.499
  124   HD23  LEU  13          2HD2      LEU  13   5.931   3.504  -6.003
  Start of MODEL    9
    1    H1   GLU   1           1H       GLU   1   1.675  -4.684   8.197
    2    H2   GLU   1           2H       GLU   1   1.433  -3.566   9.453
    3    H3   GLU   1           3H       GLU   1   0.212  -3.834   8.301
    4    HA   GLU   1           HA       GLU   1   0.756  -6.318   9.340
    5    HB2  GLU   1           1HB      GLU   1   0.576  -4.181  11.490
    6    HB3  GLU   1           2HB      GLU   1   0.404  -5.913  11.778
    7    HG2  GLU   1           1HG      GLU   1   2.846  -4.622  10.533
    8    HG3  GLU   1           2HG      GLU   1   2.719  -5.075  12.231
    9    H    LEU   2           H        LEU   2  -1.101  -3.323   9.748
   10    HA   LEU   2           HA       LEU   2  -3.616  -4.827   9.954
   11    HB2  LEU   2           1HB      LEU   2  -2.797  -1.956  10.341
   12    HB3  LEU   2           2HB      LEU   2  -4.493  -2.344  10.066
   13    HG   LEU   2           HG       LEU   2  -4.429  -3.925  11.974
   14   HD11  LEU   2          1HD1      LEU   2  -2.160  -4.639  12.022
   15   HD12  LEU   2          2HD1      LEU   2  -2.363  -3.683  13.491
   16   HD13  LEU   2          3HD1      LEU   2  -1.557  -2.983  12.086
   17   HD21  LEU   2          3HD2      LEU   2  -4.229  -2.217  13.754
   18   HD22  LEU   2          1HD2      LEU   2  -5.086  -1.574  12.354
   19   HD23  LEU   2          2HD2      LEU   2  -3.397  -1.145  12.628
   20    H    TYR   3           H        TYR   3  -3.599  -1.750   8.371
   21    HA   TYR   3           HA       TYR   3  -4.658  -2.988   5.936
   22    HB2  TYR   3           1HB      TYR   3  -5.436  -0.812   5.341
   23    HB3  TYR   3           2HB      TYR   3  -5.769  -1.001   7.059
   24    HD1  TYR   3           HD2      TYR   3  -4.044  -0.047   8.732
   25    HD2  TYR   3           HD1      TYR   3  -4.121   0.989   4.562
   26    HE1  TYR   3           HE2      TYR   3  -2.699   1.982   9.204
   27    HE2  TYR   3           HE1      TYR   3  -2.778   3.011   5.035
   28    HH   TYR   3           HH       TYR   3  -0.973   3.508   7.379
   29    H    GLU   4           H        GLU   4  -2.050  -3.642   6.214
   30    HA   GLU   4           HA       GLU   4  -0.339  -1.742   4.857
   31    HB2  GLU   4           1HB      GLU   4   1.374  -3.483   5.074
   32    HB3  GLU   4           2HB      GLU   4   0.543  -3.226   6.610
   33    HG2  GLU   4           1HG      GLU   4  -0.915  -5.170   6.130
   34    HG3  GLU   4           2HG      GLU   4  -0.043  -5.447   4.625
   35    H    ASN   5           H        ASN   5  -2.689  -2.591   3.399
   36    HA   ASN   5           HA       ASN   5  -1.561  -4.197   1.191
   37    HB2  ASN   5           1HB      ASN   5  -4.398  -3.351   1.822
   38    HB3  ASN   5           2HB      ASN   5  -3.919  -4.261   0.388
   39   HD21  ASN   5          2HD2      ASN   5  -5.151  -4.710   3.456
   40   HD22  ASN   5          1HD2      ASN   5  -4.588  -6.283   3.750
   41    H    LYS   6           H        LYS   6  -1.612  -1.069   2.092
   42    HA   LYS   6           HA       LYS   6  -2.349   0.069  -0.502
   43    HB2  LYS   6           1HB      LYS   6  -2.784   1.043   1.952
   44    HB3  LYS   6           2HB      LYS   6  -1.201   1.767   1.686
   45    HG2  LYS   6           1HG      LYS   6  -2.087   2.625  -0.535
   46    HG3  LYS   6           2HG      LYS   6  -3.687   2.102  -0.006
   47    HD2  LYS   6           1HD      LYS   6  -3.545   3.543   1.964
   48    HD3  LYS   6           2HD      LYS   6  -1.908   4.025   1.523
   49    HE2  LYS   6           1HE      LYS   6  -2.766   5.004  -0.580
   50    HE3  LYS   6           2HE      LYS   6  -4.406   4.543  -0.119
   51    HZ1  LYS   6           3HZ      LYS   6  -3.673   6.896   0.409
   52    HZ2  LYS   6           1HZ      LYS   6  -2.708   6.215   1.625
   53    HZ3  LYS   6           2HZ      LYS   6  -4.392   6.018   1.672
   54    HA   PRO   7           HA       PRO   7   2.359   1.065  -0.213
   55    HB2  PRO   7           1HB      PRO   7   3.497  -1.170   1.353
   56    HB3  PRO   7           2HB      PRO   7   3.742   0.574   1.561
   57    HG2  PRO   7           1HG      PRO   7   2.309  -0.920   3.306
   58    HG3  PRO   7           2HG      PRO   7   1.958   0.789   2.989
   59    HD2  PRO   7           1HD      PRO   7   0.542  -1.646   1.941
   60    HD3  PRO   7           2HD      PRO   7  -0.133  -0.096   2.488
   61    H    ARG   8           H        ARG   8   0.638  -1.614  -0.903
   62    HA   ARG   8           HA       ARG   8   2.680  -3.048  -2.443
   63    HB2  ARG   8           1HB      ARG   8  -0.308  -3.468  -2.144
   64    HB3  ARG   8           2HB      ARG   8   0.761  -4.511  -3.080
   65    HG2  ARG   8           1HG      ARG   8   2.050  -5.042  -1.056
   66    HG3  ARG   8           2HG      ARG   8   1.027  -3.959  -0.109
   67    HD2  ARG   8           1HD      ARG   8   0.229  -6.232   0.198
   68    HD3  ARG   8           2HD      ARG   8  -0.953  -5.342  -0.756
   69    HE   ARG   8           HE       ARG   8   0.906  -6.676  -2.456
   70   HH11  ARG   8          1HH2      ARG   8  -1.803  -7.157  -0.360
   71   HH12  ARG   8          2HH2      ARG   8  -2.358  -8.582  -1.174
   72   HH21  ARG   8          1HH1      ARG   8   0.192  -8.547  -3.526
   73   HH22  ARG   8          2HH1      ARG   8  -1.231  -9.365  -2.973
   74    H    ARG   9           H        ARG   9   0.076  -0.827  -2.661
   75    HA   ARG   9           HA       ARG   9   0.540  -0.441  -5.564
   76    HB2  ARG   9           1HB      ARG   9  -1.732  -1.402  -4.988
   77    HB3  ARG   9           2HB      ARG   9  -2.055   0.084  -4.094
   78    HG2  ARG   9           1HG      ARG   9  -1.510   1.367  -6.203
   79    HG3  ARG   9           2HG      ARG   9  -1.472  -0.178  -7.054
   80    HD2  ARG   9           1HD      ARG   9  -3.830   0.919  -5.500
   81    HD3  ARG   9           2HD      ARG   9  -3.691   0.886  -7.255
   82    HE   ARG   9           HE       ARG   9  -3.348  -1.718  -6.600
   83   HH11  ARG   9          1HH2      ARG   9  -5.680   0.686  -5.718
   84   HH12  ARG   9          2HH2      ARG   9  -6.952  -0.456  -5.446
   85   HH21  ARG   9          1HH1      ARG   9  -5.024  -3.214  -6.277
   86   HH22  ARG   9          2HH1      ARG   9  -6.584  -2.659  -5.765
   87    HA   PRO  10           HA       PRO  10   1.749   3.226  -3.031
   88    HB2  PRO  10           1HB      PRO  10   3.530   3.746  -5.374
   89    HB3  PRO  10           2HB      PRO  10   3.932   3.681  -3.645
   90    HG2  PRO  10           1HG      PRO  10   4.644   1.723  -5.334
   91    HG3  PRO  10           2HG      PRO  10   4.188   1.392  -3.653
   92    HD2  PRO  10           1HD      PRO  10   2.569   1.006  -6.156
   93    HD3  PRO  10           2HD      PRO  10   2.666  -0.017  -4.704
   94    H    TYR  11           H        TYR  11   1.102   5.414  -3.322
   95    HA   TYR  11           HA       TYR  11  -1.008   5.928  -5.070
   96    HB2  TYR  11           1HB      TYR  11  -0.672   7.305  -3.108
   97    HB3  TYR  11           2HB      TYR  11   0.890   7.862  -3.712
   98    HD1  TYR  11           HD2      TYR  11  -2.782   7.944  -4.350
   99    HD2  TYR  11           HD1      TYR  11   1.054   9.625  -5.300
  100    HE1  TYR  11           HE2      TYR  11  -3.893   9.778  -5.602
  101    HE2  TYR  11           HE1      TYR  11  -0.053  11.457  -6.548
  102    HH   TYR  11           HH       TYR  11  -3.605  11.700  -6.681
  103    H    ILE  12           H        ILE  12   2.434   6.807  -5.382
  104    HA   ILE  12           HA       ILE  12   2.164   8.064  -7.923
  105    HB   ILE  12           HB       ILE  12   4.113   8.447  -6.454
  106   HG12  ILE  12          1HG1      ILE  12   5.029   7.057  -8.984
  107   HG13  ILE  12          2HG1      ILE  12   4.226   8.629  -9.008
  108   HG21  ILE  12          1HG2      ILE  12   4.949   5.631  -7.188
  109   HG22  ILE  12          2HG2      ILE  12   4.169   6.034  -5.660
  110   HG23  ILE  12          3HG2      ILE  12   5.743   6.725  -6.056
  111   HD11  ILE  12          3HD1      ILE  12   6.785   8.681  -8.955
  112   HD12  ILE  12          1HD1      ILE  12   6.662   8.085  -7.299
  113   HD13  ILE  12          2HD1      ILE  12   5.963   9.646  -7.728
  114    H    LEU  13           H        LEU  13   2.409   4.811  -6.818
  115    HA   LEU  13           HA       LEU  13   2.339   2.784  -7.843
  116    HB2  LEU  13           1HB      LEU  13   0.331   3.595  -8.906
  117    HB3  LEU  13           2HB      LEU  13   1.264   4.447 -10.134
  118    HG   LEU  13           HG       LEU  13   2.115   2.317 -11.006
  119   HD11  LEU  13          1HD1      LEU  13   0.903   0.206 -10.016
  120   HD12  LEU  13          2HD1      LEU  13   0.682   1.220  -8.589
  121   HD13  LEU  13          3HD1      LEU  13   2.306   0.863  -9.175
  122   HD21  LEU  13          3HD2      LEU  13  -0.884   2.131 -10.595
  123   HD22  LEU  13          1HD2      LEU  13   0.049   1.480 -11.942
  124   HD23  LEU  13          2HD2      LEU  13  -0.120   3.224 -11.749
  Start of MODEL   10
    1    H1   GLU   1           1H       GLU   1  -0.618  -6.566  10.230
    2    H2   GLU   1           2H       GLU   1  -1.132  -8.141   9.853
    3    H3   GLU   1           3H       GLU   1  -2.273  -6.901  10.076
    4    HA   GLU   1           HA       GLU   1  -0.493  -6.062   8.093
    5    HB2  GLU   1           1HB      GLU   1  -1.648  -8.842   7.708
    6    HB3  GLU   1           2HB      GLU   1  -0.972  -7.855   6.411
    7    HG2  GLU   1           1HG      GLU   1   0.544  -8.714   8.895
    8    HG3  GLU   1           2HG      GLU   1   0.673  -9.497   7.322
    9    H    LEU   2           H        LEU   2  -2.412  -4.697   9.067
   10    HA   LEU   2           HA       LEU   2  -4.967  -5.221   7.728
   11    HB2  LEU   2           1HB      LEU   2  -4.106  -3.049   9.654
   12    HB3  LEU   2           2HB      LEU   2  -5.744  -3.262   9.040
   13    HG   LEU   2           HG       LEU   2  -4.213  -5.397  10.557
   14   HD11  LEU   2          1HD1      LEU   2  -6.389  -3.541  11.568
   15   HD12  LEU   2          2HD1      LEU   2  -4.675  -3.385  11.953
   16   HD13  LEU   2          3HD1      LEU   2  -5.576  -4.802  12.492
   17   HD21  LEU   2          3HD2      LEU   2  -7.001  -5.173   9.429
   18   HD22  LEU   2          1HD2      LEU   2  -6.727  -6.152  10.869
   19   HD23  LEU   2          2HD2      LEU   2  -5.884  -6.536   9.373
   20    H    TYR   3           H        TYR   3  -3.776  -1.977   8.245
   21    HA   TYR   3           HA       TYR   3  -4.171  -1.413   5.402
   22    HB2  TYR   3           1HB      TYR   3  -4.731   0.025   7.713
   23    HB3  TYR   3           2HB      TYR   3  -3.276   0.822   7.131
   24    HD1  TYR   3           HD2      TYR   3  -3.437   0.774   4.261
   25    HD2  TYR   3           HD1      TYR   3  -6.628   1.262   7.095
   26    HE1  TYR   3           HE2      TYR   3  -4.765   1.967   2.550
   27    HE2  TYR   3           HE1      TYR   3  -7.960   2.458   5.377
   28    HH   TYR   3           HH       TYR   3  -6.582   3.432   2.331
   29    H    GLU   4           H        GLU   4  -1.861  -2.985   6.460
   30    HA   GLU   4           HA       GLU   4   0.444  -1.265   5.960
   31    HB2  GLU   4           1HB      GLU   4   0.174  -4.204   6.618
   32    HB3  GLU   4           2HB      GLU   4   1.719  -3.406   6.316
   33    HG2  GLU   4           1HG      GLU   4   1.286  -1.832   8.145
   34    HG3  GLU   4           2HG      GLU   4  -0.284  -2.580   8.432
   35    H    ASN   5           H        ASN   5  -1.780  -2.435   4.016
   36    HA   ASN   5           HA       ASN   5  -0.007  -3.525   1.930
   37    HB2  ASN   5           1HB      ASN   5  -3.019  -3.342   2.163
   38    HB3  ASN   5           2HB      ASN   5  -2.176  -3.973   0.751
   39   HD21  ASN   5          2HD2      ASN   5  -0.033  -5.112   2.698
   40   HD22  ASN   5          1HD2      ASN   5  -0.758  -6.521   3.302
   41    H    LYS   6           H        LYS   6  -0.387  -0.599   2.905
   42    HA   LYS   6           HA       LYS   6  -1.404   0.717   0.525
   43    HB2  LYS   6           1HB      LYS   6  -1.678   1.601   2.890
   44    HB3  LYS   6           2HB      LYS   6   0.035   2.016   2.837
   45    HG2  LYS   6           1HG      LYS   6  -0.434   3.288   0.699
   46    HG3  LYS   6           2HG      LYS   6  -2.149   3.026   1.000
   47    HD2  LYS   6           1HD      LYS   6  -1.949   5.063   2.075
   48    HD3  LYS   6           2HD      LYS   6  -1.479   4.031   3.422
   49    HE2  LYS   6           1HE      LYS   6   0.469   5.294   1.462
   50    HE3  LYS   6           2HE      LYS   6   0.092   5.943   3.056
   51    HZ1  LYS   6           3HZ      LYS   6   1.403   3.371   2.399
   52    HZ2  LYS   6           1HZ      LYS   6   0.771   3.702   3.939
   53    HZ3  LYS   6           2HZ      LYS   6   2.024   4.662   3.311
   54    HA   PRO   7           HA       PRO   7   3.188   1.638  -0.085
   55    HB2  PRO   7           1HB      PRO   7   5.090   0.248   1.249
   56    HB3  PRO   7           2HB      PRO   7   4.242   1.621   1.991
   57    HG2  PRO   7           1HG      PRO   7   3.899  -1.288   2.468
   58    HG3  PRO   7           2HG      PRO   7   3.659   0.074   3.576
   59    HD2  PRO   7           1HD      PRO   7   1.630  -1.322   2.119
   60    HD3  PRO   7           2HD      PRO   7   1.418   0.161   3.075
   61    H    ARG   8           H        ARG   8   1.574  -1.051  -0.484
   62    HA   ARG   8           HA       ARG   8   3.578  -2.484  -2.128
   63    HB2  ARG   8           1HB      ARG   8   0.843  -3.294  -1.105
   64    HB3  ARG   8           2HB      ARG   8   1.787  -4.246  -2.250
   65    HG2  ARG   8           1HG      ARG   8   3.628  -4.402  -0.616
   66    HG3  ARG   8           2HG      ARG   8   2.695  -3.439   0.531
   67    HD2  ARG   8           1HD      ARG   8   0.935  -5.166   0.553
   68    HD3  ARG   8           2HD      ARG   8   1.860  -6.126  -0.599
   69    HE   ARG   8           HE       ARG   8   3.356  -5.482   1.778
   70   HH11  ARG   8          1HH2      ARG   8   1.017  -7.594   0.345
   71   HH12  ARG   8          2HH2      ARG   8   1.358  -8.916   1.412
   72   HH21  ARG   8          1HH1      ARG   8   3.803  -7.205   3.176
   73   HH22  ARG   8          2HH1      ARG   8   2.935  -8.696   3.016
   74    H    ARG   9           H        ARG   9   0.766  -0.567  -2.020
   75    HA   ARG   9           HA       ARG   9   0.530  -0.595  -4.978
   76    HB2  ARG   9           1HB      ARG   9  -1.448  -1.572  -3.655
   77    HB3  ARG   9           2HB      ARG   9  -1.726   0.072  -3.080
   78    HG2  ARG   9           1HG      ARG   9  -1.910   0.865  -5.407
   79    HG3  ARG   9           2HG      ARG   9  -1.611  -0.773  -5.990
   80    HD2  ARG   9           1HD      ARG   9  -3.956   0.122  -4.291
   81    HD3  ARG   9           2HD      ARG   9  -4.015  -0.332  -5.991
   82    HE   ARG   9           HE       ARG   9  -2.951  -2.536  -4.786
   83   HH11  ARG   9          1HH2      ARG   9  -5.749  -0.563  -4.258
   84   HH12  ARG   9          2HH2      ARG   9  -6.699  -1.851  -3.598
   85   HH21  ARG   9          1HH1      ARG   9  -4.190  -4.222  -3.915
   86   HH22  ARG   9          2HH1      ARG   9  -5.817  -3.921  -3.400
   87    HA   PRO  10           HA       PRO  10   1.960   3.488  -3.356
   88    HB2  PRO  10           1HB      PRO  10   3.075   3.701  -6.125
   89    HB3  PRO  10           2HB      PRO  10   3.878   3.966  -4.565
   90    HG2  PRO  10           1HG      PRO  10   4.366   1.785  -6.045
   91    HG3  PRO  10           2HG      PRO  10   4.340   1.724  -4.271
   92    HD2  PRO  10           1HD      PRO  10   2.237   0.825  -6.223
   93    HD3  PRO  10           2HD      PRO  10   2.754   0.075  -4.698
   94    H    TYR  11           H        TYR  11   1.052   5.550  -3.759
   95    HA   TYR  11           HA       TYR  11  -1.441   5.700  -4.980
   96    HB2  TYR  11           1HB      TYR  11  -0.693   7.376  -3.370
   97    HB3  TYR  11           2HB      TYR  11   0.561   7.920  -4.485
   98    HD1  TYR  11           HD1      TYR  11  -3.077   7.793  -3.857
   99    HD2  TYR  11           HD2      TYR  11   0.033   9.279  -6.421
  100    HE1  TYR  11           HE1      TYR  11  -4.703   9.318  -4.945
  101    HE2  TYR  11           HE2      TYR  11  -1.592  10.803  -7.510
  102    HH   TYR  11           HH       TYR  11  -4.147  11.842  -6.426
  103    H    ILE  12           H        ILE  12   1.737   6.655  -6.274
  104    HA   ILE  12           HA       ILE  12   0.634   7.369  -8.846
  105    HB   ILE  12           HB       ILE  12   3.009   7.632  -9.511
  106   HG12  ILE  12          1HG1      ILE  12   3.595   6.756  -6.663
  107   HG13  ILE  12          2HG1      ILE  12   3.887   5.763  -8.092
  108   HG21  ILE  12          1HG2      ILE  12   3.473   9.509  -8.034
  109   HG22  ILE  12          2HG2      ILE  12   2.406   8.843  -6.798
  110   HG23  ILE  12          3HG2      ILE  12   1.733   9.431  -8.318
  111   HD11  ILE  12          3HD1      ILE  12   5.284   7.738  -8.972
  112   HD12  ILE  12          1HD1      ILE  12   5.976   6.802  -7.647
  113   HD13  ILE  12          2HD1      ILE  12   5.218   8.362  -7.324
  114    H    LEU  13           H        LEU  13   1.474   4.514  -7.286
  115    HA   LEU  13           HA       LEU  13   1.619   2.335  -7.927
  116    HB2  LEU  13           1HB      LEU  13  -0.512   2.752  -9.014
  117    HB3  LEU  13           2HB      LEU  13   0.299   3.405 -10.432
  118    HG   LEU  13           HG       LEU  13   1.317   1.227 -10.897
  119   HD11  LEU  13          1HD1      LEU  13   0.080   0.525  -8.239
  120   HD12  LEU  13          2HD1      LEU  13   1.707   0.190  -8.832
  121   HD13  LEU  13          3HD1      LEU  13   0.342  -0.734  -9.449
  122   HD21  LEU  13          3HD2      LEU  13  -0.743  -0.019 -11.433
  123   HD22  LEU  13          1HD2      LEU  13  -0.942   1.699 -11.778
  124   HD23  LEU  13          2HD2      LEU  13  -1.655   1.007 -10.322
  Start of MODEL   11
    1    H1   GLU   1           1H       GLU   1  -1.428  -8.092   8.118
    2    H2   GLU   1           2H       GLU   1  -2.524  -6.892   8.615
    3    H3   GLU   1           3H       GLU   1  -0.897  -6.495   8.333
    4    HA   GLU   1           HA       GLU   1  -1.146  -6.365   6.117
    5    HB2  GLU   1           1HB      GLU   1  -3.183  -8.584   6.446
    6    HB3  GLU   1           2HB      GLU   1  -2.766  -7.857   4.894
    7    HG2  GLU   1           1HG      GLU   1  -0.428  -8.524   5.179
    8    HG3  GLU   1           2HG      GLU   1  -0.790  -9.190   6.770
    9    H    LEU   2           H        LEU   2  -2.603  -4.982   8.279
   10    HA   LEU   2           HA       LEU   2  -5.230  -4.362   7.198
   11    HB2  LEU   2           1HB      LEU   2  -3.703  -3.010   9.436
   12    HB3  LEU   2           2HB      LEU   2  -5.424  -2.849   9.089
   13    HG   LEU   2           HG       LEU   2  -4.026  -5.427   9.867
   14   HD11  LEU   2          1HD1      LEU   2  -5.511  -5.124  11.932
   15   HD12  LEU   2          2HD1      LEU   2  -5.747  -3.463  11.392
   16   HD13  LEU   2          3HD1      LEU   2  -4.129  -4.036  11.800
   17   HD21  LEU   2          3HD2      LEU   2  -6.557  -6.067  10.198
   18   HD22  LEU   2          1HD2      LEU   2  -5.869  -6.110   8.578
   19   HD23  LEU   2          2HD2      LEU   2  -6.858  -4.739   9.077
   20    H    TYR   3           H        TYR   3  -2.703  -2.099   8.231
   21    HA   TYR   3           HA       TYR   3  -3.317  -0.387   5.911
   22    HB2  TYR   3           1HB      TYR   3  -3.397   0.671   8.121
   23    HB3  TYR   3           2HB      TYR   3  -1.736   0.168   8.436
   24    HD1  TYR   3           HD2      TYR   3  -3.867   2.257   6.214
   25    HD2  TYR   3           HD1      TYR   3   0.118   1.390   7.563
   26    HE1  TYR   3           HE2      TYR   3  -3.029   4.278   5.047
   27    HE2  TYR   3           HE1      TYR   3   0.953   3.409   6.395
   28    HH   TYR   3           HH       TYR   3  -1.071   5.248   4.225
   29    H    GLU   4           H        GLU   4  -1.320  -2.863   6.515
   30    HA   GLU   4           HA       GLU   4   1.169  -1.730   5.529
   31    HB2  GLU   4           1HB      GLU   4   0.322  -4.541   6.237
   32    HB3  GLU   4           2HB      GLU   4   1.931  -4.125   5.642
   33    HG2  GLU   4           1HG      GLU   4   2.251  -2.579   7.508
   34    HG3  GLU   4           2HG      GLU   4   0.620  -2.909   8.085
   35    H    ASN   5           H        ASN   5  -1.643  -2.434   4.068
   36    HA   ASN   5           HA       ASN   5  -0.469  -3.667   1.656
   37    HB2  ASN   5           1HB      ASN   5  -3.327  -3.121   2.482
   38    HB3  ASN   5           2HB      ASN   5  -2.858  -3.782   0.917
   39   HD21  ASN   5          2HD2      ASN   5  -2.287  -4.445   4.426
   40   HD22  ASN   5          1HD2      ASN   5  -2.321  -6.133   4.252
   41    H    LYS   6           H        LYS   6  -0.665  -0.662   2.879
   42    HA   LYS   6           HA       LYS   6  -1.629   0.662   0.434
   43    HB2  LYS   6           1HB      LYS   6  -0.629   2.070   2.897
   44    HB3  LYS   6           2HB      LYS   6  -1.781   2.632   1.687
   45    HG2  LYS   6           1HG      LYS   6  -2.227   0.401   3.693
   46    HG3  LYS   6           2HG      LYS   6  -2.994   1.988   3.700
   47    HD2  LYS   6           1HD      LYS   6  -3.871   1.411   1.362
   48    HD3  LYS   6           2HD      LYS   6  -3.373  -0.246   1.702
   49    HE2  LYS   6           1HE      LYS   6  -4.776  -0.223   3.753
   50    HE3  LYS   6           2HE      LYS   6  -5.315   1.406   3.345
   51    HZ1  LYS   6           3HZ      LYS   6  -6.404   0.643   1.441
   52    HZ2  LYS   6           1HZ      LYS   6  -6.787  -0.506   2.628
   53    HZ3  LYS   6           2HZ      LYS   6  -5.602  -0.856   1.461
   54    HA   PRO   7           HA       PRO   7   2.862   2.096   0.494
   55    HB2  PRO   7           1HB      PRO   7   4.723   0.877   2.036
   56    HB3  PRO   7           2HB      PRO   7   3.631   2.115   2.688
   57    HG2  PRO   7           1HG      PRO   7   3.550  -0.837   3.022
   58    HG3  PRO   7           2HG      PRO   7   3.054   0.440   4.145
   59    HD2  PRO   7           1HD      PRO   7   1.337  -1.064   2.448
   60    HD3  PRO   7           2HD      PRO   7   0.889   0.386   3.369
   61    H    ARG   8           H        ARG   8   1.834  -1.036   0.128
   62    HA   ARG   8           HA       ARG   8   4.187  -1.952  -1.393
   63    HB2  ARG   8           1HB      ARG   8   1.548  -3.293  -0.746
   64    HB3  ARG   8           2HB      ARG   8   2.807  -4.012  -1.748
   65    HG2  ARG   8           1HG      ARG   8   4.409  -3.747   0.163
   66    HG3  ARG   8           2HG      ARG   8   3.062  -3.194   1.160
   67    HD2  ARG   8           1HD      ARG   8   3.134  -5.864  -0.266
   68    HD3  ARG   8           2HD      ARG   8   3.572  -5.638   1.423
   69    HE   ARG   8           HE       ARG   8   1.010  -4.546   1.025
   70   HH11  ARG   8          1HH2      ARG   8   2.688  -7.572   0.981
   71   HH12  ARG   8          2HH2      ARG   8   1.301  -8.505   1.438
   72   HH21  ARG   8          1HH1      ARG   8  -0.812  -5.764   1.619
   73   HH22  ARG   8          2HH1      ARG   8  -0.679  -7.481   1.800
   74    H    ARG   9           H        ARG   9   1.096  -0.567  -1.616
   75    HA   ARG   9           HA       ARG   9   1.228  -0.518  -4.577
   76    HB2  ARG   9           1HB      ARG   9  -1.269  -0.494  -2.852
   77    HB3  ARG   9           2HB      ARG   9  -1.216  -0.462  -4.613
   78    HG2  ARG   9           1HG      ARG   9   0.095  -2.718  -3.092
   79    HG3  ARG   9           2HG      ARG   9  -1.638  -2.745  -3.405
   80    HD2  ARG   9           1HD      ARG   9   0.552  -2.545  -5.493
   81    HD3  ARG   9           2HD      ARG   9  -0.463  -3.948  -5.177
   82    HE   ARG   9           HE       ARG   9  -1.224  -1.551  -6.628
   83   HH11  ARG   9          1HH2      ARG   9  -2.237  -4.348  -4.860
   84   HH12  ARG   9          2HH2      ARG   9  -3.811  -4.405  -5.584
   85   HH21  ARG   9          1HH1      ARG   9  -3.286  -1.618  -7.579
   86   HH22  ARG   9          2HH1      ARG   9  -4.404  -2.859  -7.122
   87    HA   PRO  10           HA       PRO  10   1.617   3.654  -2.628
   88    HB2  PRO  10           1HB      PRO  10   3.139   4.253  -5.126
   89    HB3  PRO  10           2HB      PRO  10   3.608   4.513  -3.436
   90    HG2  PRO  10           1HG      PRO  10   4.706   2.572  -4.928
   91    HG3  PRO  10           2HG      PRO  10   4.416   2.370  -3.189
   92    HD2  PRO  10           1HD      PRO  10   2.832   1.281  -5.506
   93    HD3  PRO  10           2HD      PRO  10   3.237   0.515  -3.955
   94    H    TYR  11           H        TYR  11   0.398   5.529  -3.128
   95    HA   TYR  11           HA       TYR  11  -1.892   5.495  -4.529
   96    HB2  TYR  11           1HB      TYR  11   0.005   7.854  -4.432
   97    HB3  TYR  11           2HB      TYR  11  -1.713   7.945  -4.819
   98    HD1  TYR  11           HD1      TYR  11  -3.421   7.352  -3.103
   99    HD2  TYR  11           HD2      TYR  11   0.766   7.562  -2.169
  100    HE1  TYR  11           HE1      TYR  11  -3.965   7.431  -0.685
  101    HE2  TYR  11           HE2      TYR  11   0.223   7.640   0.249
  102    HH   TYR  11           HH       TYR  11  -1.431   7.302   1.772
  103    H    ILE  12           H        ILE  12   1.294   6.015  -5.909
  104    HA   ILE  12           HA       ILE  12   0.154   5.974  -8.649
  105    HB   ILE  12           HB       ILE  12   2.884   6.887  -7.689
  106   HG12  ILE  12          1HG1      ILE  12   0.607   8.532  -8.827
  107   HG13  ILE  12          2HG1      ILE  12   0.889   8.349  -7.095
  108   HG21  ILE  12          1HG2      ILE  12   3.079   6.037  -9.922
  109   HG22  ILE  12          2HG2      ILE  12   2.971   7.791 -10.069
  110   HG23  ILE  12          3HG2      ILE  12   1.561   6.787 -10.410
  111   HD11  ILE  12          3HD1      ILE  12   1.932  10.413  -8.186
  112   HD12  ILE  12          1HD1      ILE  12   3.042   9.306  -8.992
  113   HD13  ILE  12          2HD1      ILE  12   3.023   9.409  -7.231
  114    H    LEU  13           H        LEU  13   0.346   4.073  -9.678
  115    HA   LEU  13           HA       LEU  13   2.109   2.027  -8.571
  116    HB2  LEU  13           1HB      LEU  13   0.985   0.621 -10.448
  117    HB3  LEU  13           2HB      LEU  13   0.042   1.077  -9.035
  118    HG   LEU  13           HG       LEU  13  -1.099   1.388 -11.286
  119   HD11  LEU  13          1HD1      LEU  13  -2.433   2.784 -10.151
  120   HD12  LEU  13          2HD1      LEU  13  -1.304   4.117 -10.372
  121   HD13  LEU  13          3HD1      LEU  13  -1.159   3.063  -8.969
  122   HD21  LEU  13          3HD2      LEU  13  -0.473   3.242 -12.687
  123   HD22  LEU  13          1HD2      LEU  13   0.977   2.280 -12.411
  124   HD23  LEU  13          2HD2      LEU  13   0.737   3.788 -11.529
  Start of MODEL   12
    1    H1   GLU   1           1H       GLU   1  -0.873  -6.033   8.690
    2    H2   GLU   1           2H       GLU   1   0.139  -7.329   8.264
    3    H3   GLU   1           3H       GLU   1  -1.344  -7.625   9.039
    4    HA   GLU   1           HA       GLU   1  -0.857  -6.744   6.263
    5    HB2  GLU   1           1HB      GLU   1  -2.431  -8.975   7.579
    6    HB3  GLU   1           2HB      GLU   1  -2.490  -8.621   5.852
    7    HG2  GLU   1           1HG      GLU   1  -0.087  -9.008   5.652
    8    HG3  GLU   1           2HG      GLU   1   0.041  -9.266   7.392
    9    H    LEU   2           H        LEU   2  -2.114  -5.219   8.620
   10    HA   LEU   2           HA       LEU   2  -4.912  -5.002   7.856
   11    HB2  LEU   2           1HB      LEU   2  -3.154  -3.674   9.915
   12    HB3  LEU   2           2HB      LEU   2  -4.761  -3.038   9.559
   13    HG   LEU   2           HG       LEU   2  -5.739  -5.260  10.051
   14   HD11  LEU   2          1HD1      LEU   2  -4.148  -6.873  11.284
   15   HD12  LEU   2          2HD1      LEU   2  -2.838  -5.940  10.561
   16   HD13  LEU   2          3HD1      LEU   2  -3.992  -6.783   9.531
   17   HD21  LEU   2          3HD2      LEU   2  -5.436  -3.507  11.832
   18   HD22  LEU   2          1HD2      LEU   2  -3.928  -4.299  12.289
   19   HD23  LEU   2          2HD2      LEU   2  -5.461  -5.154  12.463
   20    H    TYR   3           H        TYR   3  -2.904  -2.203   8.518
   21    HA   TYR   3           HA       TYR   3  -3.728  -1.037   5.930
   22    HB2  TYR   3           1HB      TYR   3  -3.940  -0.031   8.493
   23    HB3  TYR   3           2HB      TYR   3  -2.449   0.729   7.954
   24    HD1  TYR   3           HD2      TYR   3  -3.042   1.006   5.012
   25    HD2  TYR   3           HD1      TYR   3  -5.491   1.755   8.463
   26    HE1  TYR   3           HE2      TYR   3  -4.363   2.650   3.716
   27    HE2  TYR   3           HE1      TYR   3  -6.813   3.402   7.162
   28    HH   TYR   3           HH       TYR   3  -7.309   3.718   4.563
   29    H    GLU   4           H        GLU   4  -1.443  -2.933   6.496
   30    HA   GLU   4           HA       GLU   4   0.897  -1.263   5.871
   31    HB2  GLU   4           1HB      GLU   4   0.596  -4.194   6.549
   32    HB3  GLU   4           2HB      GLU   4   2.130  -3.435   6.116
   33    HG2  GLU   4           1HG      GLU   4   1.911  -1.866   7.979
   34    HG3  GLU   4           2HG      GLU   4   0.343  -2.552   8.395
   35    H    ASN   5           H        ASN   5  -1.553  -2.548   4.173
   36    HA   ASN   5           HA       ASN   5   0.071  -3.519   1.909
   37    HB2  ASN   5           1HB      ASN   5  -2.901  -3.602   2.472
   38    HB3  ASN   5           2HB      ASN   5  -2.168  -4.155   0.968
   39   HD21  ASN   5          2HD2      ASN   5   0.261  -5.230   2.382
   40   HD22  ASN   5          1HD2      ASN   5  -0.263  -6.647   3.155
   41    H    LYS   6           H        LYS   6  -0.603  -0.630   2.978
   42    HA   LYS   6           HA       LYS   6  -1.894   0.536   0.647
   43    HB2  LYS   6           1HB      LYS   6  -2.417   1.478   2.806
   44    HB3  LYS   6           2HB      LYS   6  -0.719   1.797   3.135
   45    HG2  LYS   6           1HG      LYS   6  -1.763   2.970   0.593
   46    HG3  LYS   6           2HG      LYS   6  -2.439   3.655   2.067
   47    HD2  LYS   6           1HD      LYS   6   0.547   3.305   1.832
   48    HD3  LYS   6           2HD      LYS   6  -0.235   4.680   1.056
   49    HE2  LYS   6           1HE      LYS   6  -1.156   5.423   3.175
   50    HE3  LYS   6           2HE      LYS   6  -0.565   3.974   3.986
   51    HZ1  LYS   6           3HZ      LYS   6   1.693   4.846   2.949
   52    HZ2  LYS   6           1HZ      LYS   6   1.137   5.358   4.467
   53    HZ3  LYS   6           2HZ      LYS   6   0.893   6.338   3.102
   54    HA   PRO   7           HA       PRO   7   2.478   2.110  -0.149
   55    HB2  PRO   7           1HB      PRO   7   4.621   1.027   1.086
   56    HB3  PRO   7           2HB      PRO   7   3.599   2.234   1.895
   57    HG2  PRO   7           1HG      PRO   7   3.720  -0.709   2.297
   58    HG3  PRO   7           2HG      PRO   7   3.364   0.575   3.464
   59    HD2  PRO   7           1HD      PRO   7   1.454  -1.048   2.104
   60    HD3  PRO   7           2HD      PRO   7   1.103   0.391   3.083
   61    H    ARG   8           H        ARG   8   1.335  -0.889  -0.334
   62    HA   ARG   8           HA       ARG   8   3.420  -2.070  -2.035
   63    HB2  ARG   8           1HB      ARG   8   1.982  -3.409  -0.355
   64    HB3  ARG   8           2HB      ARG   8   0.657  -3.179  -1.499
   65    HG2  ARG   8           1HG      ARG   8   1.977  -4.242  -3.275
   66    HG3  ARG   8           2HG      ARG   8   3.334  -4.442  -2.165
   67    HD2  ARG   8           1HD      ARG   8   2.110  -6.536  -2.275
   68    HD3  ARG   8           2HD      ARG   8   1.863  -5.818  -0.686
   69    HE   ARG   8           HE       ARG   8  -0.203  -4.982  -2.444
   70   HH11  ARG   8          1HH2      ARG   8   1.001  -7.735  -0.724
   71   HH12  ARG   8          2HH2      ARG   8  -0.553  -8.484  -0.562
   72   HH21  ARG   8          1HH1      ARG   8  -2.242  -5.960  -2.235
   73   HH22  ARG   8          2HH1      ARG   8  -2.388  -7.480  -1.416
   74    H    ARG   9           H        ARG   9   0.365  -0.515  -1.987
   75    HA   ARG   9           HA       ARG   9   0.258  -0.434  -4.946
   76    HB2  ARG   9           1HB      ARG   9  -1.593  -1.757  -3.813
   77    HB3  ARG   9           2HB      ARG   9  -2.116  -0.234  -3.089
   78    HG2  ARG   9           1HG      ARG   9  -2.220   0.737  -5.419
   79    HG3  ARG   9           2HG      ARG   9  -1.938  -0.890  -6.041
   80    HD2  ARG   9           1HD      ARG   9  -3.947  -1.647  -4.707
   81    HD3  ARG   9           2HD      ARG   9  -4.275   0.049  -4.361
   82    HE   ARG   9           HE       ARG   9  -3.979  -0.322  -7.159
   83   HH11  ARG   9          1HH2      ARG   9  -6.096  -0.982  -4.502
   84   HH12  ARG   9          2HH2      ARG   9  -7.533  -0.988  -5.470
   85   HH21  ARG   9          1HH1      ARG   9  -5.858  -0.329  -8.435
   86   HH22  ARG   9          2HH1      ARG   9  -7.398  -0.618  -7.696
   87    HA   PRO  10           HA       PRO  10   0.638   3.756  -2.902
   88    HB2  PRO  10           1HB      PRO  10   2.762   4.712  -4.341
   89    HB3  PRO  10           2HB      PRO  10   2.958   3.716  -2.883
   90    HG2  PRO  10           1HG      PRO  10   3.080   2.897  -5.756
   91    HG3  PRO  10           2HG      PRO  10   4.146   2.442  -4.412
   92    HD2  PRO  10           1HD      PRO  10   2.154   0.806  -5.303
   93    HD3  PRO  10           2HD      PRO  10   2.662   0.848  -3.597
   94    H    TYR  11           H        TYR  11   0.267   5.913  -3.932
   95    HA   TYR  11           HA       TYR  11  -1.655   5.857  -5.950
   96    HB2  TYR  11           1HB      TYR  11   0.211   8.125  -5.204
   97    HB3  TYR  11           2HB      TYR  11  -1.262   8.291  -6.158
   98    HD1  TYR  11           HD2      TYR  11  -3.486   7.691  -5.124
   99    HD2  TYR  11           HD1      TYR  11   0.131   7.972  -2.824
  100    HE1  TYR  11           HE2      TYR  11  -4.823   7.855  -3.044
  101    HE2  TYR  11           HE1      TYR  11  -1.207   8.135  -0.742
  102    HH   TYR  11           HH       TYR  11  -3.416   7.561   0.072
  103    H    ILE  12           H        ILE  12   1.833   6.463  -6.144
  104    HA   ILE  12           HA       ILE  12   1.891   6.877  -8.964
  105    HB   ILE  12           HB       ILE  12   4.074   6.078  -7.026
  106   HG12  ILE  12          1HG1      ILE  12   3.493   8.757  -8.323
  107   HG13  ILE  12          2HG1      ILE  12   2.909   8.317  -6.717
  108   HG21  ILE  12          1HG2      ILE  12   5.538   7.018  -8.910
  109   HG22  ILE  12          2HG2      ILE  12   4.119   6.872  -9.945
  110   HG23  ILE  12          3HG2      ILE  12   4.819   5.434  -9.199
  111   HD11  ILE  12          3HD1      ILE  12   5.833   8.164  -7.478
  112   HD12  ILE  12          1HD1      ILE  12   5.130   8.102  -5.862
  113   HD13  ILE  12          2HD1      ILE  12   5.109   9.611  -6.776
  114    H    LEU  13           H        LEU  13   1.760   4.098  -6.937
  115    HA   LEU  13           HA       LEU  13   1.737   1.846  -7.349
  116    HB2  LEU  13           1HB      LEU  13   1.137   2.801 -10.154
  117    HB3  LEU  13           2HB      LEU  13   1.059   1.123  -9.641
  118    HG   LEU  13           HG       LEU  13  -0.514   3.334  -8.293
  119   HD11  LEU  13          1HD1      LEU  13  -1.413   1.417 -10.465
  120   HD12  LEU  13          2HD1      LEU  13  -1.154   3.149 -10.675
  121   HD13  LEU  13          3HD1      LEU  13  -2.442   2.572  -9.617
  122   HD21  LEU  13          3HD2      LEU  13  -0.470   1.481  -6.826
  123   HD22  LEU  13          1HD2      LEU  13  -0.485   0.312  -8.146
  124   HD23  LEU  13          2HD2      LEU  13  -1.948   1.206  -7.740
  Start of MODEL   13
    1    H1   GLU   1           1H       GLU   1  -0.369  -5.106   8.033
    2    H2   GLU   1           2H       GLU   1   0.877  -5.848   7.150
    3    H3   GLU   1           3H       GLU   1   0.672  -6.207   8.796
    4    HA   GLU   1           HA       GLU   1  -0.524  -7.431   6.546
    5    HB2  GLU   1           1HB      GLU   1  -0.634  -7.895   9.541
    6    HB3  GLU   1           2HB      GLU   1  -1.282  -9.017   8.344
    7    HG2  GLU   1           1HG      GLU   1   0.928  -9.287   7.344
    8    HG3  GLU   1           2HG      GLU   1   1.602  -8.090   8.450
    9    H    LEU   2           H        LEU   2  -1.681  -5.234   8.990
   10    HA   LEU   2           HA       LEU   2  -4.486  -5.844   8.517
   11    HB2  LEU   2           1HB      LEU   2  -3.808  -5.213  10.763
   12    HB3  LEU   2           2HB      LEU   2  -3.114  -3.707  10.168
   13    HG   LEU   2           HG       LEU   2  -5.336  -2.915   9.486
   14   HD11  LEU   2          1HD1      LEU   2  -6.532  -4.858   8.855
   15   HD12  LEU   2          2HD1      LEU   2  -7.320  -4.351  10.345
   16   HD13  LEU   2          3HD1      LEU   2  -6.164  -5.682  10.369
   17   HD21  LEU   2          3HD2      LEU   2  -4.559  -2.524  11.808
   18   HD22  LEU   2          1HD2      LEU   2  -5.346  -4.018  12.313
   19   HD23  LEU   2          2HD2      LEU   2  -6.315  -2.669  11.723
   20    H    TYR   3           H        TYR   3  -3.068  -2.615   8.656
   21    HA   TYR   3           HA       TYR   3  -4.472  -1.917   6.142
   22    HB2  TYR   3           1HB      TYR   3  -4.950  -0.648   8.307
   23    HB3  TYR   3           2HB      TYR   3  -3.316  -0.002   8.177
   24    HD1  TYR   3           HD2      TYR   3  -6.596  -0.247   6.433
   25    HD2  TYR   3           HD1      TYR   3  -2.789   1.736   6.632
   26    HE1  TYR   3           HE2      TYR   3  -7.394   1.449   4.810
   27    HE2  TYR   3           HE1      TYR   3  -3.587   3.432   5.008
   28    HH   TYR   3           HH       TYR   3  -5.466   3.410   3.099
   29    H    GLU   4           H        GLU   4  -1.793  -3.260   6.559
   30    HA   GLU   4           HA       GLU   4   0.144  -1.314   5.611
   31    HB2  GLU   4           1HB      GLU   4   0.278  -4.291   6.126
   32    HB3  GLU   4           2HB      GLU   4   1.645  -3.338   5.547
   33    HG2  GLU   4           1HG      GLU   4   1.519  -1.906   7.528
   34    HG3  GLU   4           2HG      GLU   4   0.102  -2.789   8.095
   35    H    ASN   5           H        ASN   5  -2.246  -1.909   4.004
   36    HA   ASN   5           HA       ASN   5  -1.114  -3.222   1.613
   37    HB2  ASN   5           1HB      ASN   5  -3.930  -2.458   2.402
   38    HB3  ASN   5           2HB      ASN   5  -3.499  -3.037   0.793
   39   HD21  ASN   5          2HD2      ASN   5  -1.597  -5.036   1.467
   40   HD22  ASN   5          1HD2      ASN   5  -2.385  -6.267   2.329
   41    H    LYS   6           H        LYS   6  -0.866  -0.299   2.828
   42    HA   LYS   6           HA       LYS   6  -1.782   1.254   0.525
   43    HB2  LYS   6           1HB      LYS   6  -2.009   1.985   2.971
   44    HB3  LYS   6           2HB      LYS   6  -0.285   2.342   2.906
   45    HG2  LYS   6           1HG      LYS   6  -0.665   3.837   0.975
   46    HG3  LYS   6           2HG      LYS   6  -2.389   3.466   1.035
   47    HD2  LYS   6           1HD      LYS   6  -2.665   4.547   3.129
   48    HD3  LYS   6           2HD      LYS   6  -0.928   4.597   3.423
   49    HE2  LYS   6           1HE      LYS   6  -2.239   6.046   1.113
   50    HE3  LYS   6           2HE      LYS   6  -1.958   6.800   2.684
   51    HZ1  LYS   6           3HZ      LYS   6   0.397   5.523   1.919
   52    HZ2  LYS   6           1HZ      LYS   6   0.122   7.190   2.068
   53    HZ3  LYS   6           2HZ      LYS   6  -0.140   6.416   0.577
   54    HA   PRO   7           HA       PRO   7   2.880   1.833   0.091
   55    HB2  PRO   7           1HB      PRO   7   4.634   0.246   1.401
   56    HB3  PRO   7           2HB      PRO   7   3.853   1.629   2.195
   57    HG2  PRO   7           1HG      PRO   7   3.281  -1.273   2.470
   58    HG3  PRO   7           2HG      PRO   7   3.140   0.024   3.668
   59    HD2  PRO   7           1HD      PRO   7   1.014  -1.085   2.133
   60    HD3  PRO   7           2HD      PRO   7   0.931   0.378   3.136
   61    H    ARG   8           H        ARG   8   1.160  -0.882  -0.349
   62    HA   ARG   8           HA       ARG   8   3.124  -2.319  -2.010
   63    HB2  ARG   8           1HB      ARG   8   0.244  -2.958  -1.307
   64    HB3  ARG   8           2HB      ARG   8   1.270  -3.942  -2.351
   65    HG2  ARG   8           1HG      ARG   8   2.859  -4.288  -0.523
   66    HG3  ARG   8           2HG      ARG   8   1.906  -3.248   0.533
   67    HD2  ARG   8           1HD      ARG   8   1.390  -5.587   1.010
   68    HD3  ARG   8           2HD      ARG   8  -0.016  -4.805   0.296
   69    HE   ARG   8           HE       ARG   8   0.272  -6.105  -1.635
   70   HH11  ARG   8          1HH2      ARG   8   2.902  -6.471   0.587
   71   HH12  ARG   8          2HH2      ARG   8   3.564  -7.857  -0.211
   72   HH21  ARG   8          1HH1      ARG   8   1.134  -7.912  -2.688
   73   HH22  ARG   8          2HH1      ARG   8   2.567  -8.671  -2.075
   74    H    ARG   9           H        ARG   9   0.468  -0.184  -2.028
   75    HA   ARG   9           HA       ARG   9   0.494  -0.048  -4.990
   76    HB2  ARG   9           1HB      ARG   9  -1.813   0.242  -3.053
   77    HB3  ARG   9           2HB      ARG   9  -1.888   0.802  -4.724
   78    HG2  ARG   9           1HG      ARG   9  -1.555  -1.416  -5.573
   79    HG3  ARG   9           2HG      ARG   9  -1.161  -2.040  -3.969
   80    HD2  ARG   9           1HD      ARG   9  -3.414  -1.701  -3.200
   81    HD3  ARG   9           2HD      ARG   9  -3.827  -0.780  -4.643
   82    HE   ARG   9           HE       ARG   9  -4.211  -2.782  -5.732
   83   HH11  ARG   9          1HH2      ARG   9  -2.285  -3.294  -2.901
   84   HH12  ARG   9          2HH2      ARG   9  -2.308  -5.020  -3.033
   85   HH21  ARG   9          1HH1      ARG   9  -4.240  -5.034  -5.913
   86   HH22  ARG   9          2HH1      ARG   9  -3.403  -6.009  -4.751
   87    HA   PRO  10           HA       PRO  10   2.122   3.792  -2.943
   88    HB2  PRO  10           1HB      PRO  10   3.224   4.061  -5.731
   89    HB3  PRO  10           2HB      PRO  10   4.021   4.361  -4.171
   90    HG2  PRO  10           1HG      PRO  10   4.540   2.161  -5.566
   91    HG3  PRO  10           2HG      PRO  10   4.418   2.108  -3.798
   92    HD2  PRO  10           1HD      PRO  10   2.437   1.182  -5.858
   93    HD3  PRO  10           2HD      PRO  10   2.820   0.489  -4.267
   94    H    TYR  11           H        TYR  11   2.308   6.092  -4.491
   95    HA   TYR  11           HA       TYR  11  -0.371   6.934  -4.706
   96    HB2  TYR  11           1HB      TYR  11   1.430   8.536  -4.359
   97    HB3  TYR  11           2HB      TYR  11   2.139   8.119  -5.920
   98    HD1  TYR  11           HD1      TYR  11  -0.705   9.746  -4.221
   99    HD2  TYR  11           HD2      TYR  11   1.158   8.907  -8.000
  100    HE1  TYR  11           HE1      TYR  11  -2.180  11.413  -5.317
  101    HE2  TYR  11           HE2      TYR  11  -0.310  10.579  -9.096
  102    HH   TYR  11           HH       TYR  11  -1.959  12.898  -7.510
  103    H    ILE  12           H        ILE  12   2.003   6.087  -7.220
  104    HA   ILE  12           HA       ILE  12  -0.191   5.921  -9.201
  105    HB   ILE  12           HB       ILE  12   1.678   7.426  -9.788
  106   HG12  ILE  12          1HG1      ILE  12   1.746   4.917 -11.481
  107   HG13  ILE  12          2HG1      ILE  12   0.375   6.026 -11.477
  108   HG21  ILE  12          1HG2      ILE  12   3.910   6.667 -10.012
  109   HG22  ILE  12          2HG2      ILE  12   3.430   4.971  -9.970
  110   HG23  ILE  12          3HG2      ILE  12   3.371   5.939  -8.498
  111   HD11  ILE  12          3HD1      ILE  12   1.891   6.572 -13.324
  112   HD12  ILE  12          1HD1      ILE  12   3.236   6.738 -12.193
  113   HD13  ILE  12          2HD1      ILE  12   1.890   7.877 -12.138
  114    H    LEU  13           H        LEU  13   2.720   4.200  -8.082
  115    HA   LEU  13           HA       LEU  13   1.599   1.668  -7.982
  116    HB2  LEU  13           1HB      LEU  13   2.151   2.525 -10.710
  117    HB3  LEU  13           2HB      LEU  13   3.150   1.135 -10.317
  118    HG   LEU  13           HG       LEU  13   0.181   1.134  -9.718
  119   HD11  LEU  13          1HD1      LEU  13   0.032  -0.190 -11.911
  120   HD12  LEU  13          2HD1      LEU  13   1.591   0.527 -12.319
  121   HD13  LEU  13          3HD1      LEU  13   0.187   1.560 -12.050
  122   HD21  LEU  13          3HD2      LEU  13   2.113  -1.113 -10.362
  123   HD22  LEU  13          1HD2      LEU  13   0.477  -1.264  -9.723
  124   HD23  LEU  13          2HD2      LEU  13   1.755  -0.577  -8.719
  Start of MODEL   14
    1    H1   GLU   1           1H       GLU   1  -2.394  -9.806   8.589
    2    H2   GLU   1           2H       GLU   1  -1.267  -9.853   7.322
    3    H3   GLU   1           3H       GLU   1  -2.766  -9.085   7.103
    4    HA   GLU   1           HA       GLU   1  -0.879  -8.177   9.178
    5    HB2  GLU   1           1HB      GLU   1  -0.039  -6.515   7.559
    6    HB3  GLU   1           2HB      GLU   1   0.352  -8.156   7.044
    7    HG2  GLU   1           1HG      GLU   1  -1.631  -8.138   5.547
    8    HG3  GLU   1           2HG      GLU   1  -1.969  -6.481   6.039
    9    H    LEU   2           H        LEU   2  -1.182  -5.531   8.753
   10    HA   LEU   2           HA       LEU   2  -4.029  -5.088   9.368
   11    HB2  LEU   2           1HB      LEU   2  -1.671  -3.204   9.664
   12    HB3  LEU   2           2HB      LEU   2  -3.299  -2.945  10.272
   13    HG   LEU   2           HG       LEU   2  -1.949  -3.686  12.118
   14   HD11  LEU   2          1HD1      LEU   2  -3.422  -6.189  11.321
   15   HD12  LEU   2          2HD1      LEU   2  -4.296  -4.704  11.700
   16   HD13  LEU   2          3HD1      LEU   2  -3.263  -5.454  12.917
   17   HD21  LEU   2          3HD2      LEU   2  -0.405  -5.396  12.084
   18   HD22  LEU   2          1HD2      LEU   2  -0.326  -4.945  10.382
   19   HD23  LEU   2          2HD2      LEU   2  -1.284  -6.340  10.884
   20    H    TYR   3           H        TYR   3  -3.399  -2.157   8.677
   21    HA   TYR   3           HA       TYR   3  -4.264  -2.353   5.876
   22    HB2  TYR   3           1HB      TYR   3  -5.543  -0.935   7.478
   23    HB3  TYR   3           2HB      TYR   3  -4.115   0.082   7.674
   24    HD1  TYR   3           HD2      TYR   3  -6.429  -1.306   5.088
   25    HD2  TYR   3           HD1      TYR   3  -3.694   1.841   6.135
   26    HE1  TYR   3           HE2      TYR   3  -7.045  -0.084   3.022
   27    HE2  TYR   3           HE1      TYR   3  -4.310   3.063   4.064
   28    HH   TYR   3           HH       TYR   3  -6.836   2.775   2.441
   29    H    GLU   4           H        GLU   4  -1.494  -2.900   6.689
   30    HA   GLU   4           HA       GLU   4   0.055  -0.620   5.767
   31    HB2  GLU   4           1HB      GLU   4   0.781  -3.410   6.659
   32    HB3  GLU   4           2HB      GLU   4   1.975  -2.262   6.052
   33    HG2  GLU   4           1HG      GLU   4   0.072  -1.646   8.318
   34    HG3  GLU   4           2HG      GLU   4   1.701  -2.274   8.566
   35    H    ASN   5           H        ASN   5  -1.886  -1.841   3.983
   36    HA   ASN   5           HA       ASN   5  -0.179  -2.979   1.856
   37    HB2  ASN   5           1HB      ASN   5  -2.321  -4.152   2.483
   38    HB3  ASN   5           2HB      ASN   5  -3.195  -2.720   1.942
   39   HD21  ASN   5          2HD2      ASN   5  -1.424  -5.555   0.851
   40   HD22  ASN   5          1HD2      ASN   5  -1.689  -5.306  -0.807
   41    H    LYS   6           H        LYS   6  -0.588  -0.116   2.949
   42    HA   LYS   6           HA       LYS   6  -1.699   1.290   0.662
   43    HB2  LYS   6           1HB      LYS   6  -1.832   2.019   3.130
   44    HB3  LYS   6           2HB      LYS   6  -0.169   2.565   2.923
   45    HG2  LYS   6           1HG      LYS   6  -0.888   3.941   0.979
   46    HG3  LYS   6           2HG      LYS   6  -2.556   3.451   1.278
   47    HD2  LYS   6           1HD      LYS   6  -2.473   4.463   3.516
   48    HD3  LYS   6           2HD      LYS   6  -0.785   4.912   3.262
   49    HE2  LYS   6           1HE      LYS   6  -2.265   6.829   2.818
   50    HE3  LYS   6           2HE      LYS   6  -1.451   6.319   1.341
   51    HZ1  LYS   6           3HZ      LYS   6  -3.979   6.743   1.305
   52    HZ2  LYS   6           1HZ      LYS   6  -4.089   5.210   2.028
   53    HZ3  LYS   6           2HZ      LYS   6  -3.360   5.380   0.503
   54    HA   PRO   7           HA       PRO   7   2.847   2.286  -0.107
   55    HB2  PRO   7           1HB      PRO   7   4.828   0.937   1.145
   56    HB3  PRO   7           2HB      PRO   7   3.963   2.266   1.943
   57    HG2  PRO   7           1HG      PRO   7   3.711  -0.667   2.355
   58    HG3  PRO   7           2HG      PRO   7   3.495   0.658   3.511
   59    HD2  PRO   7           1HD      PRO   7   1.426  -0.733   2.118
   60    HD3  PRO   7           2HD      PRO   7   1.235   0.732   3.100
   61    H    ARG   8           H        ARG   8   1.333  -0.533  -0.369
   62    HA   ARG   8           HA       ARG   8   3.300  -1.864  -2.131
   63    HB2  ARG   8           1HB      ARG   8   0.578  -2.772  -1.146
   64    HB3  ARG   8           2HB      ARG   8   1.663  -3.717  -2.155
   65    HG2  ARG   8           1HG      ARG   8   2.546  -2.662   0.536
   66    HG3  ARG   8           2HG      ARG   8   1.691  -4.197   0.388
   67    HD2  ARG   8           1HD      ARG   8   3.449  -4.926  -1.269
   68    HD3  ARG   8           2HD      ARG   8   4.334  -3.455  -0.894
   69    HE   ARG   8           HE       ARG   8   3.650  -5.153   1.382
   70   HH11  ARG   8          1HH2      ARG   8   5.968  -4.167  -0.998
   71   HH12  ARG   8          2HH2      ARG   8   7.329  -4.791  -0.128
   72   HH21  ARG   8          1HH1      ARG   8   5.431  -5.956   2.529
   73   HH22  ARG   8          2HH1      ARG   8   7.026  -5.785   1.880
   74    H    ARG   9           H        ARG   9   0.412  -0.065  -1.923
   75    HA   ARG   9           HA       ARG   9   0.085  -0.096  -4.868
   76    HB2  ARG   9           1HB      ARG   9  -2.112   0.347  -2.833
   77    HB3  ARG   9           2HB      ARG   9  -2.286   0.164  -4.578
   78    HG2  ARG   9           1HG      ARG   9  -1.497  -2.142  -4.458
   79    HG3  ARG   9           2HG      ARG   9  -1.187  -1.975  -2.729
   80    HD2  ARG   9           1HD      ARG   9  -3.325  -3.102  -3.059
   81    HD3  ARG   9           2HD      ARG   9  -3.602  -1.507  -2.368
   82    HE   ARG   9           HE       ARG   9  -3.720  -1.364  -5.200
   83   HH11  ARG   9          1HH2      ARG   9  -5.422  -2.559  -2.435
   84   HH12  ARG   9          2HH2      ARG   9  -6.985  -2.421  -3.164
   85   HH21  ARG   9          1HH1      ARG   9  -5.768  -1.179  -6.164
   86   HH22  ARG   9          2HH1      ARG   9  -7.184  -1.629  -5.271
   87    HA   PRO  10           HA       PRO  10   0.987   4.116  -3.057
   88    HB2  PRO  10           1HB      PRO  10   3.084   4.801  -4.685
   89    HB3  PRO  10           2HB      PRO  10   3.288   3.868  -3.186
   90    HG2  PRO  10           1HG      PRO  10   3.154   2.899  -6.013
   91    HG3  PRO  10           2HG      PRO  10   4.248   2.403  -4.706
   92    HD2  PRO  10           1HD      PRO  10   2.052   0.942  -5.414
   93    HD3  PRO  10           2HD      PRO  10   2.675   0.988  -3.747
   94    H    TYR  11           H        TYR  11   0.400   6.160  -4.009
   95    HA   TYR  11           HA       TYR  11  -1.565   6.308  -5.857
   96    HB2  TYR  11           1HB      TYR  11  -0.777   8.261  -4.587
   97    HB3  TYR  11           2HB      TYR  11   0.667   8.341  -5.598
   98    HD1  TYR  11           HD1      TYR  11  -3.060   8.446  -5.708
   99    HD2  TYR  11           HD2      TYR  11   0.613   9.444  -7.697
  100    HE1  TYR  11           HE1      TYR  11  -4.330   9.757  -7.388
  101    HE2  TYR  11           HE2      TYR  11  -0.656  10.755  -9.380
  102    HH   TYR  11           HH       TYR  11  -2.699  11.743  -9.780
  103    H    ILE  12           H        ILE  12   1.887   6.174  -6.550
  104    HA   ILE  12           HA       ILE  12   1.272   5.776  -9.425
  105    HB   ILE  12           HB       ILE  12   2.644   7.805  -8.950
  106   HG12  ILE  12          1HG1      ILE  12   4.508   7.210 -10.525
  107   HG13  ILE  12          2HG1      ILE  12   4.042   5.517 -10.378
  108   HG21  ILE  12          1HG2      ILE  12   3.803   6.472  -6.936
  109   HG22  ILE  12          2HG2      ILE  12   4.646   7.764  -7.787
  110   HG23  ILE  12          3HG2      ILE  12   4.981   6.082  -8.191
  111   HD11  ILE  12          3HD1      ILE  12   1.918   7.500 -11.137
  112   HD12  ILE  12          1HD1      ILE  12   2.092   5.804 -11.599
  113   HD13  ILE  12          2HD1      ILE  12   3.103   7.031 -12.354
  114    H    LEU  13           H        LEU  13   1.091   3.591  -9.528
  115    HA   LEU  13           HA       LEU  13   2.240   1.668  -7.974
  116    HB2  LEU  13           1HB      LEU  13   1.891   1.370 -10.960
  117    HB3  LEU  13           2HB      LEU  13   1.884   0.091  -9.744
  118    HG   LEU  13           HG       LEU  13  -0.136   2.345  -9.945
  119   HD11  LEU  13          1HD1      LEU  13  -0.564  -0.619 -10.376
  120   HD12  LEU  13          2HD1      LEU  13  -0.201   0.491 -11.697
  121   HD13  LEU  13          3HD1      LEU  13  -1.672   0.703 -10.749
  122   HD21  LEU  13          3HD2      LEU  13  -0.061   1.812  -7.653
  123   HD22  LEU  13          1HD2      LEU  13   0.308   0.115  -7.957
  124   HD23  LEU  13          2HD2      LEU  13  -1.318   0.731  -8.245
  Start of MODEL   15
    1    H1   GLU   1           1H       GLU   1  -3.182  -9.356   7.934
    2    H2   GLU   1           2H       GLU   1  -2.347  -9.641   9.387
    3    H3   GLU   1           3H       GLU   1  -1.763 -10.285   7.927
    4    HA   GLU   1           HA       GLU   1  -0.510  -8.314   8.690
    5    HB2  GLU   1           1HB      GLU   1  -2.064  -8.152   6.093
    6    HB3  GLU   1           2HB      GLU   1  -0.681  -7.124   6.471
    7    HG2  GLU   1           1HG      GLU   1   0.747  -9.102   6.727
    8    HG3  GLU   1           2HG      GLU   1  -0.633 -10.154   6.417
    9    H    LEU   2           H        LEU   2  -0.608  -5.864   8.438
   10    HA   LEU   2           HA       LEU   2  -2.985  -4.884   9.851
   11    HB2  LEU   2           1HB      LEU   2  -0.217  -3.789   9.346
   12    HB3  LEU   2           2HB      LEU   2  -1.493  -2.774   9.994
   13    HG   LEU   2           HG       LEU   2   0.014  -3.848  11.719
   14   HD11  LEU   2          1HD1      LEU   2  -2.492  -3.122  12.030
   15   HD12  LEU   2          2HD1      LEU   2  -1.696  -4.074  13.278
   16   HD13  LEU   2          3HD1      LEU   2  -2.791  -4.857  12.144
   17   HD21  LEU   2          3HD2      LEU   2  -0.151  -6.177  12.178
   18   HD22  LEU   2          1HD2      LEU   2   0.099  -6.053  10.438
   19   HD23  LEU   2          2HD2      LEU   2  -1.514  -6.379  11.076
   20    H    TYR   3           H        TYR   3  -2.826  -2.183   9.045
   21    HA   TYR   3           HA       TYR   3  -4.198  -2.331   6.484
   22    HB2  TYR   3           1HB      TYR   3  -5.095  -0.943   8.327
   23    HB3  TYR   3           2HB      TYR   3  -3.628   0.032   8.292
   24    HD1  TYR   3           HD2      TYR   3  -6.371  -1.194   6.057
   25    HD2  TYR   3           HD1      TYR   3  -3.540   1.927   6.896
   26    HE1  TYR   3           HE2      TYR   3  -7.360   0.187   4.251
   27    HE2  TYR   3           HE1      TYR   3  -4.529   3.308   5.090
   28    HH   TYR   3           HH       TYR   3  -6.290   3.520   3.699
   29    H    GLU   4           H        GLU   4  -1.363  -2.916   6.595
   30    HA   GLU   4           HA       GLU   4   0.012  -0.630   5.443
   31    HB2  GLU   4           1HB      GLU   4   0.812  -3.464   6.090
   32    HB3  GLU   4           2HB      GLU   4   1.888  -2.354   5.235
   33    HG2  GLU   4           1HG      GLU   4   0.582  -1.706   7.884
   34    HG3  GLU   4           2HG      GLU   4   2.191  -2.410   7.748
   35    H    ASN   5           H        ASN   5  -2.268  -1.571   3.974
   36    HA   ASN   5           HA       ASN   5  -1.066  -2.847   1.598
   37    HB2  ASN   5           1HB      ASN   5  -3.242  -3.710   2.517
   38    HB3  ASN   5           2HB      ASN   5  -3.969  -2.157   2.110
   39   HD21  ASN   5          2HD2      ASN   5  -5.376  -3.347   0.553
   40   HD22  ASN   5          1HD2      ASN   5  -4.749  -3.812  -0.955
   41    H    LYS   6           H        LYS   6  -1.102   0.106   2.806
   42    HA   LYS   6           HA       LYS   6  -2.135   1.555   0.491
   43    HB2  LYS   6           1HB      LYS   6  -1.682   2.202   3.217
   44    HB3  LYS   6           2HB      LYS   6  -0.547   3.201   2.318
   45    HG2  LYS   6           1HG      LYS   6  -3.497   3.027   1.629
   46    HG3  LYS   6           2HG      LYS   6  -2.820   4.252   2.700
   47    HD2  LYS   6           1HD      LYS   6  -1.262   4.941   0.882
   48    HD3  LYS   6           2HD      LYS   6  -2.045   3.786  -0.192
   49    HE2  LYS   6           1HE      LYS   6  -3.087   5.889  -0.633
   50    HE3  LYS   6           2HE      LYS   6  -4.239   4.972   0.337
   51    HZ1  LYS   6           3HZ      LYS   6  -2.375   7.069   1.307
   52    HZ2  LYS   6           1HZ      LYS   6  -3.345   6.112   2.316
   53    HZ3  LYS   6           2HZ      LYS   6  -4.069   7.177   1.208
   54    HA   PRO   7           HA       PRO   7   2.452   2.232  -0.291
   55    HB2  PRO   7           1HB      PRO   7   4.361   1.138   1.283
   56    HB3  PRO   7           2HB      PRO   7   3.497   2.613   1.762
   57    HG2  PRO   7           1HG      PRO   7   3.157  -0.178   2.736
   58    HG3  PRO   7           2HG      PRO   7   2.949   1.351   3.605
   59    HD2  PRO   7           1HD      PRO   7   0.872  -0.227   2.476
   60    HD3  PRO   7           2HD      PRO   7   0.707   1.429   3.090
   61    H    ARG   8           H        ARG   8   0.846  -0.476  -0.187
   62    HA   ARG   8           HA       ARG   8   2.841  -2.318  -1.311
   63    HB2  ARG   8           1HB      ARG   8   0.899  -2.996   0.273
   64    HB3  ARG   8           2HB      ARG   8  -0.149  -2.743  -1.122
   65    HG2  ARG   8           1HG      ARG   8   0.326  -5.010  -1.345
   66    HG3  ARG   8           2HG      ARG   8   1.594  -4.313  -2.352
   67    HD2  ARG   8           1HD      ARG   8   3.192  -4.475  -0.497
   68    HD3  ARG   8           2HD      ARG   8   1.923  -5.082   0.563
   69    HE   ARG   8           HE       ARG   8   1.933  -6.824  -1.562
   70   HH11  ARG   8          1HH2      ARG   8   4.277  -5.606   0.682
   71   HH12  ARG   8          2HH2      ARG   8   5.231  -7.052   0.677
   72   HH21  ARG   8          1HH1      ARG   8   3.186  -8.725  -1.562
   73   HH22  ARG   8          2HH1      ARG   8   4.605  -8.818  -0.573
   74    H    ARG   9           H        ARG   9   0.133  -0.316  -2.032
   75    HA   ARG   9           HA       ARG   9   0.552  -0.647  -4.943
   76    HB2  ARG   9           1HB      ARG   9  -2.057  -0.031  -3.529
   77    HB3  ARG   9           2HB      ARG   9  -1.822  -0.233  -5.267
   78    HG2  ARG   9           1HG      ARG   9  -1.033  -2.559  -4.864
   79    HG3  ARG   9           2HG      ARG   9  -1.388  -2.356  -3.147
   80    HD2  ARG   9           1HD      ARG   9  -3.364  -2.219  -5.439
   81    HD3  ARG   9           2HD      ARG   9  -3.270  -3.473  -4.206
   82    HE   ARG   9           HE       ARG   9  -3.658  -1.284  -2.700
   83   HH11  ARG   9          1HH2      ARG   9  -5.154  -2.407  -5.607
   84   HH12  ARG   9          2HH2      ARG   9  -6.688  -1.675  -5.269
   85   HH21  ARG   9          1HH1      ARG   9  -5.657  -0.312  -2.247
   86   HH22  ARG   9          2HH1      ARG   9  -6.969  -0.477  -3.364
   87    HA   PRO  10           HA       PRO  10   1.480   3.644  -3.498
   88    HB2  PRO  10           1HB      PRO  10   3.254   3.631  -5.900
   89    HB3  PRO  10           2HB      PRO  10   3.638   4.064  -4.223
   90    HG2  PRO  10           1HG      PRO  10   4.508   1.781  -5.316
   91    HG3  PRO  10           2HG      PRO  10   4.041   1.875  -3.609
   92    HD2  PRO  10           1HD      PRO  10   2.496   0.736  -5.925
   93    HD3  PRO  10           2HD      PRO  10   2.638   0.133  -4.256
   94    H    TYR  11           H        TYR  11   0.643   5.607  -4.345
   95    HA   TYR  11           HA       TYR  11  -1.427   5.440  -6.231
   96    HB2  TYR  11           1HB      TYR  11  -1.296   7.285  -4.623
   97    HB3  TYR  11           2HB      TYR  11   0.179   7.871  -5.393
   98    HD1  TYR  11           HD2      TYR  11  -3.410   7.095  -6.067
   99    HD2  TYR  11           HD1      TYR  11   0.055   9.342  -7.252
  100    HE1  TYR  11           HE2      TYR  11  -4.784   8.354  -7.700
  101    HE2  TYR  11           HE1      TYR  11  -1.324  10.606  -8.881
  102    HH   TYR  11           HH       TYR  11  -3.852  11.196  -9.084
  103    H    ILE  12           H        ILE  12   1.915   6.595  -6.579
  104    HA   ILE  12           HA       ILE  12   1.647   7.038  -9.419
  105    HB   ILE  12           HB       ILE  12   4.068   6.958  -7.600
  106   HG12  ILE  12          1HG1      ILE  12   2.665   9.310  -8.896
  107   HG13  ILE  12          2HG1      ILE  12   2.329   8.774  -7.251
  108   HG21  ILE  12          1HG2      ILE  12   4.918   6.510  -9.762
  109   HG22  ILE  12          2HG2      ILE  12   5.079   8.255  -9.598
  110   HG23  ILE  12          3HG2      ILE  12   3.751   7.576 -10.541
  111   HD11  ILE  12          3HD1      ILE  12   5.128   9.442  -8.176
  112   HD12  ILE  12          1HD1      ILE  12   4.537   9.288  -6.523
  113   HD13  ILE  12          2HD1      ILE  12   4.044  10.661  -7.512
  114    H    LEU  13           H        LEU  13   1.921   4.340  -7.497
  115    HA   LEU  13           HA       LEU  13   2.426   2.140  -7.866
  116    HB2  LEU  13           1HB      LEU  13   2.023   3.041 -10.720
  117    HB3  LEU  13           2HB      LEU  13   2.222   1.358 -10.246
  118    HG   LEU  13           HG       LEU  13   0.088   3.169  -9.078
  119   HD11  LEU  13          1HD1      LEU  13  -1.489   2.234 -10.639
  120   HD12  LEU  13          2HD1      LEU  13  -0.275   1.132 -11.291
  121   HD13  LEU  13          3HD1      LEU  13  -0.135   2.868 -11.576
  122   HD21  LEU  13          3HD2      LEU  13   0.703   0.214  -8.945
  123   HD22  LEU  13          1HD2      LEU  13  -0.952   0.778  -8.729
  124   HD23  LEU  13          2HD2      LEU  13   0.310   1.322  -7.632
  Start of MODEL   16
    1    H1   GLU   1           1H       GLU   1  -1.098  -6.958   6.835
    2    H2   GLU   1           2H       GLU   1   0.192  -7.884   7.439
    3    H3   GLU   1           3H       GLU   1   0.124  -6.214   7.746
    4    HA   GLU   1           HA       GLU   1  -1.555  -8.366   8.878
    5    HB2  GLU   1           1HB      GLU   1   0.144  -6.127  10.018
    6    HB3  GLU   1           2HB      GLU   1  -0.896  -7.166  10.994
    7    HG2  GLU   1           1HG      GLU   1   0.335  -9.146  10.261
    8    HG3  GLU   1           2HG      GLU   1   1.331  -8.159   9.194
    9    H    LEU   2           H        LEU   2  -1.229  -4.856   9.388
   10    HA   LEU   2           HA       LEU   2  -4.114  -4.603   9.703
   11    HB2  LEU   2           1HB      LEU   2  -1.973  -2.463   9.785
   12    HB3  LEU   2           2HB      LEU   2  -3.633  -2.317  10.362
   13    HG   LEU   2           HG       LEU   2  -1.564  -4.249  11.459
   14   HD11  LEU   2          1HD1      LEU   2  -1.183  -1.801  11.948
   15   HD12  LEU   2          2HD1      LEU   2  -1.461  -2.789  13.382
   16   HD13  LEU   2          3HD1      LEU   2  -2.757  -1.776  12.747
   17   HD21  LEU   2          3HD2      LEU   2  -3.407  -4.313  13.332
   18   HD22  LEU   2          1HD2      LEU   2  -3.647  -5.268  11.871
   19   HD23  LEU   2          2HD2      LEU   2  -4.479  -3.725  12.060
   20    H    TYR   3           H        TYR   3  -3.902  -1.775   8.674
   21    HA   TYR   3           HA       TYR   3  -4.662  -2.378   5.926
   22    HB2  TYR   3           1HB      TYR   3  -6.019  -0.824   7.284
   23    HB3  TYR   3           2HB      TYR   3  -4.629   0.249   7.437
   24    HD1  TYR   3           HD2      TYR   3  -6.780  -1.436   4.879
   25    HD2  TYR   3           HD1      TYR   3  -4.217   1.889   5.791
   26    HE1  TYR   3           HE2      TYR   3  -7.353  -0.398   2.702
   27    HE2  TYR   3           HE1      TYR   3  -4.790   2.927   3.612
   28    HH   TYR   3           HH       TYR   3  -7.276   1.559   1.523
   29    H    GLU   4           H        GLU   4  -1.821  -2.489   6.989
   30    HA   GLU   4           HA       GLU   4  -0.456  -0.359   5.555
   31    HB2  GLU   4           1HB      GLU   4   0.536  -2.773   7.084
   32    HB3  GLU   4           2HB      GLU   4   1.597  -1.594   6.309
   33    HG2  GLU   4           1HG      GLU   4   0.636   0.204   7.662
   34    HG3  GLU   4           2HG      GLU   4  -0.492  -0.932   8.401
   35    H    ASN   5           H        ASN   5  -2.158  -2.144   4.012
   36    HA   ASN   5           HA       ASN   5  -0.224  -3.688   2.401
   37    HB2  ASN   5           1HB      ASN   5  -3.245  -3.668   2.514
   38    HB3  ASN   5           2HB      ASN   5  -2.327  -4.552   1.296
   39   HD21  ASN   5          2HD2      ASN   5  -3.998  -5.903   3.208
   40   HD22  ASN   5          1HD2      ASN   5  -2.995  -6.810   4.231
   41    H    LYS   6           H        LYS   6  -1.059  -0.614   2.516
   42    HA   LYS   6           HA       LYS   6  -1.837  -0.182  -0.249
   43    HB2  LYS   6           1HB      LYS   6  -2.530   1.223   1.850
   44    HB3  LYS   6           2HB      LYS   6  -0.979   2.024   1.612
   45    HG2  LYS   6           1HG      LYS   6  -1.675   2.363  -0.821
   46    HG3  LYS   6           2HG      LYS   6  -3.293   1.861  -0.328
   47    HD2  LYS   6           1HD      LYS   6  -3.324   3.666   1.371
   48    HD3  LYS   6           2HD      LYS   6  -1.726   4.184   0.832
   49    HE2  LYS   6           1HE      LYS   6  -4.096   3.995  -1.038
   50    HE3  LYS   6           2HE      LYS   6  -3.686   5.472  -0.164
   51    HZ1  LYS   6           3HZ      LYS   6  -1.319   4.765  -1.210
   52    HZ2  LYS   6           1HZ      LYS   6  -2.391   5.868  -1.926
   53    HZ3  LYS   6           2HZ      LYS   6  -2.381   4.245  -2.429
   54    HA   PRO   7           HA       PRO   7   2.720   1.581  -0.125
   55    HB2  PRO   7           1HB      PRO   7   3.987  -0.564   1.521
   56    HB3  PRO   7           2HB      PRO   7   4.280   1.185   1.543
   57    HG2  PRO   7           1HG      PRO   7   2.942  -0.025   3.513
   58    HG3  PRO   7           2HG      PRO   7   2.500   1.599   2.955
   59    HD2  PRO   7           1HD      PRO   7   1.164  -1.026   2.354
   60    HD3  PRO   7           2HD      PRO   7   0.431   0.560   2.682
   61    H    ARG   8           H        ARG   8   1.237  -1.281  -0.635
   62    HA   ARG   8           HA       ARG   8   3.324  -2.546  -2.263
   63    HB2  ARG   8           1HB      ARG   8   0.454  -3.295  -1.645
   64    HB3  ARG   8           2HB      ARG   8   1.497  -4.215  -2.728
   65    HG2  ARG   8           1HG      ARG   8   3.100  -4.589  -0.903
   66    HG3  ARG   8           2HG      ARG   8   2.099  -3.629   0.187
   67    HD2  ARG   8           1HD      ARG   8   0.247  -5.228  -0.093
   68    HD3  ARG   8           2HD      ARG   8   1.233  -6.185  -1.195
   69    HE   ARG   8           HE       ARG   8   2.677  -5.924   1.185
   70   HH11  ARG   8          1HH2      ARG   8  -0.305  -7.257   0.042
   71   HH12  ARG   8          2HH2      ARG   8  -0.345  -8.531   1.215
   72   HH21  ARG   8          1HH1      ARG   8   2.631  -7.590   2.727
   73   HH22  ARG   8          2HH1      ARG   8   1.318  -8.720   2.736
   74    H    ARG   9           H        ARG   9   0.501  -0.612  -2.346
   75    HA   ARG   9           HA       ARG   9   0.707  -0.304  -5.289
   76    HB2  ARG   9           1HB      ARG   9  -1.799   0.382  -5.027
   77    HB3  ARG   9           2HB      ARG   9  -1.390  -1.333  -5.040
   78    HG2  ARG   9           1HG      ARG   9  -1.437  -1.406  -2.601
   79    HG3  ARG   9           2HG      ARG   9  -1.739   0.330  -2.531
   80    HD2  ARG   9           1HD      ARG   9  -3.565  -1.741  -3.779
   81    HD3  ARG   9           2HD      ARG   9  -3.839  -0.910  -2.250
   82    HE   ARG   9           HE       ARG   9  -3.538   1.105  -4.106
   83   HH11  ARG   9          1HH2      ARG   9  -5.543  -1.687  -3.714
   84   HH12  ARG   9          2HH2      ARG   9  -6.900  -1.000  -4.543
   85   HH21  ARG   9          1HH1      ARG   9  -5.313   2.012  -5.195
   86   HH22  ARG   9          2HH1      ARG   9  -6.769   1.095  -5.382
   87    HA   PRO  10           HA       PRO  10   1.642   3.574  -2.950
   88    HB2  PRO  10           1HB      PRO  10   3.367   4.153  -5.312
   89    HB3  PRO  10           2HB      PRO  10   3.786   4.159  -3.588
   90    HG2  PRO  10           1HG      PRO  10   4.634   2.229  -5.255
   91    HG3  PRO  10           2HG      PRO  10   4.241   1.902  -3.557
   92    HD2  PRO  10           1HD      PRO  10   2.605   1.326  -6.016
   93    HD3  PRO  10           2HD      PRO  10   2.827   0.345  -4.550
   94    H    TYR  11           H        TYR  11   0.770   5.669  -3.330
   95    HA   TYR  11           HA       TYR  11  -1.417   6.071  -4.880
   96    HB2  TYR  11           1HB      TYR  11  -0.609   7.743  -3.275
   97    HB3  TYR  11           2HB      TYR  11   0.736   8.136  -4.348
   98    HD1  TYR  11           HD1      TYR  11  -2.952   8.237  -3.968
   99    HD2  TYR  11           HD2      TYR  11   0.426   9.504  -6.299
  100    HE1  TYR  11           HE1      TYR  11  -4.400   9.833  -5.199
  101    HE2  TYR  11           HE2      TYR  11  -1.022  11.099  -7.530
  102    HH   TYR  11           HH       TYR  11  -4.469  11.463  -6.705
  103    H    ILE  12           H        ILE  12   1.935   6.389  -5.900
  104    HA   ILE  12           HA       ILE  12   1.069   6.715  -8.718
  105    HB   ILE  12           HB       ILE  12   2.547   8.515  -7.804
  106   HG12  ILE  12          1HG1      ILE  12   4.263   8.365  -9.628
  107   HG13  ILE  12          2HG1      ILE  12   3.756   6.705  -9.923
  108   HG21  ILE  12          1HG2      ILE  12   3.772   6.796  -6.285
  109   HG22  ILE  12          2HG2      ILE  12   4.723   8.085  -7.022
  110   HG23  ILE  12          3HG2      ILE  12   4.756   6.463  -7.710
  111   HD11  ILE  12          3HD1      ILE  12   1.646   8.839  -9.931
  112   HD12  ILE  12          1HD1      ILE  12   1.736   7.344 -10.860
  113   HD13  ILE  12          2HD1      ILE  12   2.727   8.726 -11.317
  114    H    LEU  13           H        LEU  13   1.205   4.906  -9.897
  115    HA   LEU  13           HA       LEU  13   2.493   2.564  -8.840
  116    HB2  LEU  13           1HB      LEU  13   1.848   1.718 -11.268
  117    HB3  LEU  13           2HB      LEU  13   0.615   1.951 -10.032
  118    HG   LEU  13           HG       LEU  13   1.311   4.321 -11.749
  119   HD11  LEU  13          1HD1      LEU  13  -0.228   3.598 -13.514
  120   HD12  LEU  13          2HD1      LEU  13  -0.474   2.057 -12.695
  121   HD13  LEU  13          3HD1      LEU  13   1.106   2.454 -13.370
  122   HD21  LEU  13          3HD2      LEU  13  -0.900   4.982 -11.275
  123   HD22  LEU  13          1HD2      LEU  13  -0.421   4.165  -9.790
  124   HD23  LEU  13          2HD2      LEU  13  -1.434   3.331 -10.963
  Start of MODEL   17
    1    H1   GLU   1           1H       GLU   1   0.475  -7.891   9.313
    2    H2   GLU   1           2H       GLU   1  -0.198  -6.571   8.482
    3    H3   GLU   1           3H       GLU   1  -0.957  -8.089   8.428
    4    HA   GLU   1           HA       GLU   1  -1.386  -7.969  10.817
    5    HB2  GLU   1           1HB      GLU   1  -0.127  -5.237  10.449
    6    HB3  GLU   1           2HB      GLU   1  -1.058  -5.702  11.872
    7    HG2  GLU   1           1HG      GLU   1   0.503  -7.531  12.332
    8    HG3  GLU   1           2HG      GLU   1   1.412  -7.147  10.872
    9    H    LEU   2           H        LEU   2  -1.754  -4.635   9.825
   10    HA   LEU   2           HA       LEU   2  -4.651  -5.073   9.445
   11    HB2  LEU   2           1HB      LEU   2  -3.121  -2.482   9.791
   12    HB3  LEU   2           2HB      LEU   2  -4.871  -2.684   9.815
   13    HG   LEU   2           HG       LEU   2  -2.947  -3.955  11.786
   14   HD11  LEU   2          1HD1      LEU   2  -4.912  -1.680  12.193
   15   HD12  LEU   2          2HD1      LEU   2  -3.180  -1.458  11.957
   16   HD13  LEU   2          3HD1      LEU   2  -3.773  -2.319  13.378
   17   HD21  LEU   2          3HD2      LEU   2  -5.940  -4.055  11.393
   18   HD22  LEU   2          1HD2      LEU   2  -5.262  -4.231  13.012
   19   HD23  LEU   2          2HD2      LEU   2  -4.823  -5.374  11.746
   20    H    TYR   3           H        TYR   3  -4.560  -2.328   8.088
   21    HA   TYR   3           HA       TYR   3  -4.365  -3.361   5.368
   22    HB2  TYR   3           1HB      TYR   3  -6.253  -1.884   6.152
   23    HB3  TYR   3           2HB      TYR   3  -5.086  -0.567   6.282
   24    HD1  TYR   3           HD2      TYR   3  -6.478  -3.078   3.892
   25    HD2  TYR   3           HD1      TYR   3  -4.465   0.688   4.369
   26    HE1  TYR   3           HE2      TYR   3  -6.705  -2.648   1.461
   27    HE2  TYR   3           HE1      TYR   3  -4.693   1.117   1.938
   28    HH   TYR   3           HH       TYR   3  -6.229   0.372   0.077
   29    H    GLU   4           H        GLU   4  -1.921  -3.575   6.146
   30    HA   GLU   4           HA       GLU   4  -0.374  -1.137   5.807
   31    HB2  GLU   4           1HB      GLU   4   1.554  -2.582   6.227
   32    HB3  GLU   4           2HB      GLU   4   0.304  -2.872   7.437
   33    HG2  GLU   4           1HG      GLU   4  -0.496  -4.813   6.078
   34    HG3  GLU   4           2HG      GLU   4   0.862  -4.563   4.983
   35    H    ASN   5           H        ASN   5  -2.043  -2.647   3.633
   36    HA   ASN   5           HA       ASN   5   0.009  -3.205   1.630
   37    HB2  ASN   5           1HB      ASN   5  -3.015  -3.293   1.544
   38    HB3  ASN   5           2HB      ASN   5  -1.977  -3.689   0.176
   39   HD21  ASN   5          2HD2      ASN   5   0.088  -4.937   2.040
   40   HD22  ASN   5          1HD2      ASN   5  -0.584  -6.433   2.474
   41    H    LYS   6           H        LYS   6  -0.203  -0.492   2.687
   42    HA   LYS   6           HA       LYS   6  -1.448   1.089   0.591
   43    HB2  LYS   6           1HB      LYS   6  -1.291   1.690   3.107
   44    HB3  LYS   6           2HB      LYS   6   0.361   2.178   2.740
   45    HG2  LYS   6           1HG      LYS   6  -0.739   4.191   2.363
   46    HG3  LYS   6           2HG      LYS   6  -0.811   3.499   0.744
   47    HD2  LYS   6           1HD      LYS   6  -3.078   2.640   1.204
   48    HD3  LYS   6           2HD      LYS   6  -3.001   3.302   2.837
   49    HE2  LYS   6           1HE      LYS   6  -4.176   4.950   1.618
   50    HE3  LYS   6           2HE      LYS   6  -2.527   5.571   1.674
   51    HZ1  LYS   6           3HZ      LYS   6  -3.287   5.747  -0.549
   52    HZ2  LYS   6           1HZ      LYS   6  -3.840   4.145  -0.569
   53    HZ3  LYS   6           2HZ      LYS   6  -2.172   4.465  -0.512
   54    HA   PRO   7           HA       PRO   7   3.068   1.891  -0.521
   55    HB2  PRO   7           1HB      PRO   7   5.070   0.396   0.499
   56    HB3  PRO   7           2HB      PRO   7   4.328   1.711   1.434
   57    HG2  PRO   7           1HG      PRO   7   3.969  -1.228   1.699
   58    HG3  PRO   7           2HG      PRO   7   3.922   0.031   2.945
   59    HD2  PRO   7           1HD      PRO   7   1.671  -1.171   1.666
   60    HD3  PRO   7           2HD      PRO   7   1.642   0.250   2.733
   61    H    ARG   8           H        ARG   8   1.478  -0.946  -0.693
   62    HA   ARG   8           HA       ARG   8   3.224  -2.280  -2.645
   63    HB2  ARG   8           1HB      ARG   8   0.519  -2.987  -1.476
   64    HB3  ARG   8           2HB      ARG   8   1.339  -3.947  -2.705
   65    HG2  ARG   8           1HG      ARG   8   3.267  -4.251  -1.195
   66    HG3  ARG   8           2HG      ARG   8   2.459  -3.280   0.035
   67    HD2  ARG   8           1HD      ARG   8   0.612  -4.906   0.121
   68    HD3  ARG   8           2HD      ARG   8   1.399  -5.876  -1.120
   69    HE   ARG   8           HE       ARG   8   3.104  -5.416   1.150
   70   HH11  ARG   8          1HH2      ARG   8   0.484  -7.289  -0.118
   71   HH12  ARG   8          2HH2      ARG   8   0.804  -8.668   0.880
   72   HH21  ARG   8          1HH1      ARG   8   3.536  -7.226   2.455
   73   HH22  ARG   8          2HH1      ARG   8   2.532  -8.633   2.336
   74    H    ARG   9           H        ARG   9   0.458  -0.312  -2.262
   75    HA   ARG   9           HA       ARG   9   0.047  -0.140  -5.195
   76    HB2  ARG   9           1HB      ARG   9  -1.897  -0.279  -2.911
   77    HB3  ARG   9           2HB      ARG   9  -2.320   0.724  -4.294
   78    HG2  ARG   9           1HG      ARG   9  -3.219  -1.541  -4.576
   79    HG3  ARG   9           2HG      ARG   9  -2.000  -1.203  -5.800
   80    HD2  ARG   9           1HD      ARG   9  -0.923  -2.438  -3.326
   81    HD3  ARG   9           2HD      ARG   9  -2.026  -3.463  -4.242
   82    HE   ARG   9           HE       ARG   9   0.075  -2.145  -5.785
   83   HH11  ARG   9          1HH2      ARG   9  -1.041  -4.958  -4.094
   84   HH12  ARG   9          2HH2      ARG   9   0.031  -6.042  -4.917
   85   HH21  ARG   9          1HH1      ARG   9   1.485  -3.562  -6.853
   86   HH22  ARG   9          2HH1      ARG   9   1.461  -5.252  -6.477
   87    HA   PRO  10           HA       PRO  10   1.353   3.847  -3.103
   88    HB2  PRO  10           1HB      PRO  10   3.388   4.525  -4.828
   89    HB3  PRO  10           2HB      PRO  10   3.625   3.492  -3.404
   90    HG2  PRO  10           1HG      PRO  10   3.263   2.707  -6.266
   91    HG3  PRO  10           2HG      PRO  10   4.391   2.067  -5.057
   92    HD2  PRO  10           1HD      PRO  10   2.079   0.784  -5.712
   93    HD3  PRO  10           2HD      PRO  10   2.778   0.705  -4.076
   94    H    TYR  11           H        TYR  11   0.532   5.872  -3.759
   95    HA   TYR  11           HA       TYR  11  -1.336   6.064  -5.758
   96    HB2  TYR  11           1HB      TYR  11  -1.169   8.467  -5.601
   97    HB3  TYR  11           2HB      TYR  11  -0.936   7.789  -3.992
   98    HD1  TYR  11           HD1      TYR  11   1.341   7.682  -2.988
   99    HD2  TYR  11           HD2      TYR  11   0.606   9.605  -6.759
  100    HE1  TYR  11           HE1      TYR  11   3.527   8.843  -2.823
  101    HE2  TYR  11           HE2      TYR  11   2.791  10.764  -6.593
  102    HH   TYR  11           HH       TYR  11   4.982  10.172  -3.845
  103    H    ILE  12           H        ILE  12   2.138   6.332  -6.024
  104    HA   ILE  12           HA       ILE  12   2.258   7.374  -8.669
  105    HB   ILE  12           HB       ILE  12   4.247   5.566  -7.265
  106   HG12  ILE  12          1HG1      ILE  12   4.199   8.595  -7.374
  107   HG13  ILE  12          2HG1      ILE  12   3.580   7.666  -6.010
  108   HG21  ILE  12          1HG2      ILE  12   5.829   6.894  -8.788
  109   HG22  ILE  12          2HG2      ILE  12   4.386   7.417  -9.654
  110   HG23  ILE  12          3HG2      ILE  12   4.798   5.705  -9.582
  111   HD11  ILE  12          3HD1      ILE  12   5.916   8.372  -5.617
  112   HD12  ILE  12          1HD1      ILE  12   6.413   7.524  -7.081
  113   HD13  ILE  12          2HD1      ILE  12   5.785   6.614  -5.707
  114    H    LEU  13           H        LEU  13   2.228   4.114  -7.305
  115    HA   LEU  13           HA       LEU  13   1.820   2.060  -8.194
  116    HB2  LEU  13           1HB      LEU  13  -0.331   2.942  -8.765
  117    HB3  LEU  13           2HB      LEU  13   0.311   3.751 -10.194
  118    HG   LEU  13           HG       LEU  13   0.808   1.589 -11.233
  119   HD11  LEU  13          1HD1      LEU  13  -0.060   0.534  -8.538
  120   HD12  LEU  13          2HD1      LEU  13   1.401   0.154  -9.452
  121   HD13  LEU  13          3HD1      LEU  13  -0.156  -0.477  -9.981
  122   HD21  LEU  13          3HD2      LEU  13  -1.467   2.545 -11.478
  123   HD22  LEU  13          1HD2      LEU  13  -1.987   1.641 -10.055
  124   HD23  LEU  13          2HD2      LEU  13  -1.494   0.783 -11.514
  Start of MODEL   18
    1    H1   GLU   1           1H       GLU   1  -0.214  -6.448   8.769
    2    H2   GLU   1           2H       GLU   1   0.199  -8.058   8.413
    3    H3   GLU   1           3H       GLU   1  -1.333  -7.692   9.047
    4    HA   GLU   1           HA       GLU   1  -0.435  -6.550   6.479
    5    HB2  GLU   1           1HB      GLU   1  -1.570  -8.439   5.355
    6    HB3  GLU   1           2HB      GLU   1  -0.194  -8.994   6.305
    7    HG2  GLU   1           1HG      GLU   1  -1.731  -9.575   8.164
    8    HG3  GLU   1           2HG      GLU   1  -3.100  -9.074   7.171
    9    H    LEU   2           H        LEU   2  -1.935  -5.417   8.648
   10    HA   LEU   2           HA       LEU   2  -4.752  -5.648   7.957
   11    HB2  LEU   2           1HB      LEU   2  -4.644  -3.489   9.645
   12    HB3  LEU   2           2HB      LEU   2  -4.756  -5.155  10.198
   13    HG   LEU   2           HG       LEU   2  -2.040  -3.966   9.648
   14   HD11  LEU   2          1HD1      LEU   2  -3.726  -3.544  12.129
   15   HD12  LEU   2          2HD1      LEU   2  -3.021  -2.306  11.089
   16   HD13  LEU   2          3HD1      LEU   2  -1.978  -3.318  12.087
   17   HD21  LEU   2          3HD2      LEU   2  -1.264  -5.682  11.053
   18   HD22  LEU   2          1HD2      LEU   2  -2.626  -6.467  10.260
   19   HD23  LEU   2          2HD2      LEU   2  -2.807  -5.835  11.894
   20    H    TYR   3           H        TYR   3  -3.109  -2.586   8.533
   21    HA   TYR   3           HA       TYR   3  -4.207  -1.557   5.983
   22    HB2  TYR   3           1HB      TYR   3  -4.899  -0.418   8.091
   23    HB3  TYR   3           2HB      TYR   3  -3.206  -0.016   8.391
   24    HD1  TYR   3           HD1      TYR   3  -5.969   0.378   5.912
   25    HD2  TYR   3           HD2      TYR   3  -2.198   1.858   7.343
   26    HE1  TYR   3           HE1      TYR   3  -6.175   2.349   4.420
   27    HE2  TYR   3           HE2      TYR   3  -2.406   3.826   5.849
   28    HH   TYR   3           HH       TYR   3  -4.642   5.074   4.754
   29    H    GLU   4           H        GLU   4  -1.543  -3.027   6.748
   30    HA   GLU   4           HA       GLU   4   0.457  -1.061   5.982
   31    HB2  GLU   4           1HB      GLU   4   0.602  -4.025   6.559
   32    HB3  GLU   4           2HB      GLU   4   1.999  -3.045   6.110
   33    HG2  GLU   4           1HG      GLU   4   1.640  -1.593   8.040
   34    HG3  GLU   4           2HG      GLU   4   0.185  -2.487   8.472
   35    H    ASN   5           H        ASN   5  -1.816  -2.113   4.182
   36    HA   ASN   5           HA       ASN   5  -0.225  -3.159   1.926
   37    HB2  ASN   5           1HB      ASN   5  -2.365  -3.701   0.911
   38    HB3  ASN   5           2HB      ASN   5  -2.329  -4.332   2.556
   39   HD21  ASN   5          2HD2      ASN   5  -4.845  -3.969   1.527
   40   HD22  ASN   5          1HD2      ASN   5  -5.579  -2.588   2.187
   41    H    LYS   6           H        LYS   6  -0.503  -0.288   3.082
   42    HA   LYS   6           HA       LYS   6  -1.659   1.166   0.852
   43    HB2  LYS   6           1HB      LYS   6  -1.197   1.700   3.575
   44    HB3  LYS   6           2HB      LYS   6  -0.095   2.784   2.739
   45    HG2  LYS   6           1HG      LYS   6  -3.052   2.551   2.085
   46    HG3  LYS   6           2HG      LYS   6  -2.377   3.758   3.175
   47    HD2  LYS   6           1HD      LYS   6  -1.149   4.811   1.445
   48    HD3  LYS   6           2HD      LYS   6  -1.329   3.433   0.362
   49    HE2  LYS   6           1HE      LYS   6  -2.829   5.336  -0.246
   50    HE3  LYS   6           2HE      LYS   6  -3.716   3.861   0.137
   51    HZ1  LYS   6           3HZ      LYS   6  -3.312   5.274   2.513
   52    HZ2  LYS   6           1HZ      LYS   6  -4.777   4.956   1.721
   53    HZ3  LYS   6           2HZ      LYS   6  -3.909   6.372   1.362
   54    HA   PRO   7           HA       PRO   7   2.889   2.163   0.034
   55    HB2  PRO   7           1HB      PRO   7   4.879   0.793   1.259
   56    HB3  PRO   7           2HB      PRO   7   4.040   2.141   2.053
   57    HG2  PRO   7           1HG      PRO   7   3.755  -0.782   2.500
   58    HG3  PRO   7           2HG      PRO   7   3.581   0.557   3.645
   59    HD2  PRO   7           1HD      PRO   7   1.467  -0.818   2.329
   60    HD3  PRO   7           2HD      PRO   7   1.314   0.686   3.264
   61    H    ARG   8           H        ARG   8   1.353  -0.619  -0.320
   62    HA   ARG   8           HA       ARG   8   3.322  -1.840  -2.179
   63    HB2  ARG   8           1HB      ARG   8   0.875  -2.981  -0.812
   64    HB3  ARG   8           2HB      ARG   8   1.711  -3.792  -2.136
   65    HG2  ARG   8           1HG      ARG   8   3.806  -3.784  -0.828
   66    HG3  ARG   8           2HG      ARG   8   2.972  -2.975   0.501
   67    HD2  ARG   8           1HD      ARG   8   1.450  -4.886   0.738
   68    HD3  ARG   8           2HD      ARG   8   2.222  -5.685  -0.627
   69    HE   ARG   8           HE       ARG   8   4.059  -6.196   0.742
   70   HH11  ARG   8          1HH2      ARG   8   1.809  -4.086   2.315
   71   HH12  ARG   8          2HH2      ARG   8   2.517  -4.280   3.884
   72   HH21  ARG   8          1HH1      ARG   8   4.989  -6.451   2.790
   73   HH22  ARG   8          2HH1      ARG   8   4.318  -5.619   4.153
   74    H    ARG   9           H        ARG   9   0.471  -0.097  -1.769
   75    HA   ARG   9           HA       ARG   9  -0.188  -0.298  -4.651
   76    HB2  ARG   9           1HB      ARG   9  -1.903  -1.278  -3.005
   77    HB3  ARG   9           2HB      ARG   9  -2.176   0.384  -2.481
   78    HG2  ARG   9           1HG      ARG   9  -2.762   1.038  -4.770
   79    HG3  ARG   9           2HG      ARG   9  -2.427  -0.597  -5.341
   80    HD2  ARG   9           1HD      ARG   9  -4.874  -0.104  -4.920
   81    HD3  ARG   9           2HD      ARG   9  -4.243  -1.506  -4.061
   82    HE   ARG   9           HE       ARG   9  -4.623  -0.380  -2.067
   83   HH11  ARG   9          1HH2      ARG   9  -4.617   1.806  -4.748
   84   HH12  ARG   9          2HH2      ARG   9  -5.132   3.172  -3.816
   85   HH21  ARG   9          1HH1      ARG   9  -5.296   1.407  -0.834
   86   HH22  ARG   9          2HH1      ARG   9  -5.518   2.945  -1.600
   87    HA   PRO  10           HA       PRO  10   0.936   4.001  -2.951
   88    HB2  PRO  10           1HB      PRO  10   3.075   4.458  -4.656
   89    HB3  PRO  10           2HB      PRO  10   3.235   3.742  -3.037
   90    HG2  PRO  10           1HG      PRO  10   3.085   2.375  -5.696
   91    HG3  PRO  10           2HG      PRO  10   4.178   2.063  -4.332
   92    HD2  PRO  10           1HD      PRO  10   2.025   0.503  -4.753
   93    HD3  PRO  10           2HD      PRO  10   2.536   0.941  -3.101
   94    H    TYR  11           H        TYR  11   0.303   5.938  -4.006
   95    HA   TYR  11           HA       TYR  11  -1.524   5.864  -6.055
   96    HB2  TYR  11           1HB      TYR  11   0.386   8.057  -5.232
   97    HB3  TYR  11           2HB      TYR  11  -0.852   8.299  -6.462
   98    HD1  TYR  11           HD1      TYR  11  -0.313   7.314  -2.908
   99    HD2  TYR  11           HD2      TYR  11  -3.131   8.639  -5.868
  100    HE1  TYR  11           HE1      TYR  11  -2.008   7.677  -1.134
  101    HE2  TYR  11           HE2      TYR  11  -4.825   9.003  -4.093
  102    HH   TYR  11           HH       TYR  11  -4.875   7.718  -1.314
  103    H    ILE  12           H        ILE  12   1.986   6.327  -6.311
  104    HA   ILE  12           HA       ILE  12   1.868   6.274  -9.242
  105    HB   ILE  12           HB       ILE  12   4.315   6.331  -7.463
  106   HG12  ILE  12          1HG1      ILE  12   2.933   8.221  -6.826
  107   HG13  ILE  12          2HG1      ILE  12   4.244   8.816  -7.843
  108   HG21  ILE  12          1HG2      ILE  12   4.645   5.759  -9.860
  109   HG22  ILE  12          2HG2      ILE  12   5.377   7.307  -9.441
  110   HG23  ILE  12          3HG2      ILE  12   3.843   7.264 -10.310
  111   HD11  ILE  12          3HD1      ILE  12   1.335   8.445  -8.552
  112   HD12  ILE  12          1HD1      ILE  12   2.568   8.522  -9.811
  113   HD13  ILE  12          2HD1      ILE  12   2.334   9.886  -8.721
  114    H    LEU  13           H        LEU  13   0.810   4.032  -8.705
  115    HA   LEU  13           HA       LEU  13   2.020   1.821  -7.766
  116    HB2  LEU  13           1HB      LEU  13   0.869   0.521  -9.604
  117    HB3  LEU  13           2HB      LEU  13  -0.152   1.582  -8.643
  118    HG   LEU  13           HG       LEU  13   0.373   3.349 -10.555
  119   HD11  LEU  13          1HD1      LEU  13   0.949   0.691 -11.893
  120   HD12  LEU  13          2HD1      LEU  13   1.971   2.126 -11.859
  121   HD13  LEU  13          3HD1      LEU  13   0.476   2.135 -12.784
  122   HD21  LEU  13          3HD2      LEU  13  -1.600   2.466 -11.836
  123   HD22  LEU  13          1HD2      LEU  13  -1.866   2.547 -10.094
  124   HD23  LEU  13          2HD2      LEU  13  -1.517   0.998 -10.862
  Start of MODEL   19
    1    H1   GLU   1           1H       GLU   1  -0.641  -8.131   8.163
    2    H2   GLU   1           2H       GLU   1  -1.262  -6.566   7.943
    3    H3   GLU   1           3H       GLU   1  -1.564  -7.775   6.787
    4    HA   GLU   1           HA       GLU   1  -3.063  -8.895   8.127
    5    HB2  GLU   1           1HB      GLU   1  -1.849  -7.278  10.385
    6    HB3  GLU   1           2HB      GLU   1  -3.277  -8.297  10.568
    7    HG2  GLU   1           1HG      GLU   1  -2.005 -10.265   9.882
    8    HG3  GLU   1           2HG      GLU   1  -0.580  -9.272   9.583
    9    H    LEU   2           H        LEU   2  -2.406  -5.471   8.887
   10    HA   LEU   2           HA       LEU   2  -5.269  -4.837   8.511
   11    HB2  LEU   2           1HB      LEU   2  -3.028  -3.102   9.585
   12    HB3  LEU   2           2HB      LEU   2  -4.751  -2.727   9.605
   13    HG   LEU   2           HG       LEU   2  -3.463  -5.079  11.021
   14   HD11  LEU   2          1HD1      LEU   2  -4.149  -3.763  13.075
   15   HD12  LEU   2          2HD1      LEU   2  -4.470  -2.397  12.006
   16   HD13  LEU   2          3HD1      LEU   2  -2.834  -3.045  12.144
   17   HD21  LEU   2          3HD2      LEU   2  -5.675  -5.756  10.593
   18   HD22  LEU   2          1HD2      LEU   2  -6.306  -4.114  10.708
   19   HD23  LEU   2          2HD2      LEU   2  -5.829  -4.982  12.167
   20    H    TYR   3           H        TYR   3  -4.394  -1.997   8.014
   21    HA   TYR   3           HA       TYR   3  -4.266  -2.217   5.114
   22    HB2  TYR   3           1HB      TYR   3  -5.816  -0.619   6.169
   23    HB3  TYR   3           2HB      TYR   3  -4.450   0.221   6.901
   24    HD1  TYR   3           HD1      TYR   3  -5.700  -0.945   3.563
   25    HD2  TYR   3           HD2      TYR   3  -3.445   1.996   5.734
   26    HE1  TYR   3           HE1      TYR   3  -5.412   0.372   1.482
   27    HE2  TYR   3           HE2      TYR   3  -3.157   3.312   3.653
   28    HH   TYR   3           HH       TYR   3  -4.833   3.283   1.216
   29    H    GLU   4           H        GLU   4  -1.949  -3.178   6.286
   30    HA   GLU   4           HA       GLU   4   0.077  -1.089   6.222
   31    HB2  GLU   4           1HB      GLU   4   1.604  -2.764   6.940
   32    HB3  GLU   4           2HB      GLU   4   0.105  -3.085   7.805
   33    HG2  GLU   4           1HG      GLU   4   1.086  -4.535   5.321
   34    HG3  GLU   4           2HG      GLU   4   1.016  -5.179   6.956
   35    H    ASN   5           H        ASN   5  -1.633  -2.411   3.879
   36    HA   ASN   5           HA       ASN   5   0.545  -3.082   2.031
   37    HB2  ASN   5           1HB      ASN   5  -2.467  -3.133   1.737
   38    HB3  ASN   5           2HB      ASN   5  -1.333  -3.594   0.468
   39   HD21  ASN   5          2HD2      ASN   5   0.600  -4.875   2.299
   40   HD22  ASN   5          1HD2      ASN   5  -0.129  -6.310   2.834
   41    H    LYS   6           H        LYS   6   0.111  -0.321   3.088
   42    HA   LYS   6           HA       LYS   6  -0.880   1.193   0.817
   43    HB2  LYS   6           1HB      LYS   6  -1.159   1.867   3.254
   44    HB3  LYS   6           2HB      LYS   6   0.552   2.289   3.236
   45    HG2  LYS   6           1HG      LYS   6  -0.023   3.684   1.124
   46    HG3  LYS   6           2HG      LYS   6  -1.699   3.517   1.647
   47    HD2  LYS   6           1HD      LYS   6  -1.165   4.537   3.803
   48    HD3  LYS   6           2HD      LYS   6   0.540   4.629   3.364
   49    HE2  LYS   6           1HE      LYS   6  -1.649   5.969   1.760
   50    HE3  LYS   6           2HE      LYS   6  -0.761   6.783   3.048
   51    HZ1  LYS   6           3HZ      LYS   6   1.240   6.589   1.887
   52    HZ2  LYS   6           1HZ      LYS   6   0.114   7.047   0.702
   53    HZ3  LYS   6           2HZ      LYS   6   0.620   5.427   0.811
   54    HA   PRO   7           HA       PRO   7   3.713   2.126   0.290
   55    HB2  PRO   7           1HB      PRO   7   5.614   0.743   1.596
   56    HB3  PRO   7           2HB      PRO   7   4.679   2.011   2.417
   57    HG2  PRO   7           1HG      PRO   7   4.421  -0.950   2.609
   58    HG3  PRO   7           2HG      PRO   7   4.176   0.287   3.854
   59    HD2  PRO   7           1HD      PRO   7   2.141  -0.970   2.304
   60    HD3  PRO   7           2HD      PRO   7   1.935   0.449   3.354
   61    H    ARG   8           H        ARG   8   2.142  -0.549  -0.285
   62    HA   ARG   8           HA       ARG   8   4.206  -1.840  -1.989
   63    HB2  ARG   8           1HB      ARG   8   1.561  -2.894  -0.949
   64    HB3  ARG   8           2HB      ARG   8   2.629  -3.759  -2.052
   65    HG2  ARG   8           1HG      ARG   8   4.415  -3.766  -0.385
   66    HG3  ARG   8           2HG      ARG   8   3.427  -2.802   0.714
   67    HD2  ARG   8           1HD      ARG   8   3.294  -5.143   1.376
   68    HD3  ARG   8           2HD      ARG   8   1.734  -4.629   0.739
   69    HE   ARG   8           HE       ARG   8   2.058  -6.029  -1.113
   70   HH11  ARG   8          1HH2      ARG   8   4.899  -5.791   0.852
   71   HH12  ARG   8          2HH2      ARG   8   5.703  -7.121   0.090
   72   HH21  ARG   8          1HH1      ARG   8   3.109  -7.774  -2.115
   73   HH22  ARG   8          2HH1      ARG   8   4.691  -8.244  -1.589
   74    H    ARG   9           H        ARG   9   1.318  -0.076  -1.748
   75    HA   ARG   9           HA       ARG   9   0.910  -0.151  -4.686
   76    HB2  ARG   9           1HB      ARG   9  -1.246   0.424  -2.648
   77    HB3  ARG   9           2HB      ARG   9  -1.437   0.061  -4.363
   78    HG2  ARG   9           1HG      ARG   9  -0.371  -2.209  -3.857
   79    HG3  ARG   9           2HG      ARG   9  -0.597  -1.821  -2.152
   80    HD2  ARG   9           1HD      ARG   9  -2.528  -3.070  -2.807
   81    HD3  ARG   9           2HD      ARG   9  -3.044  -1.389  -2.697
   82    HE   ARG   9           HE       ARG   9  -2.264  -1.773  -5.332
   83   HH11  ARG   9          1HH2      ARG   9  -4.545  -3.109  -3.098
   84   HH12  ARG   9          2HH2      ARG   9  -5.704  -3.523  -4.317
   85   HH21  ARG   9          1HH1      ARG   9  -3.779  -2.314  -6.935
   86   HH22  ARG   9          2HH1      ARG   9  -5.271  -3.071  -6.489
   87    HA   PRO  10           HA       PRO  10   2.163   4.032  -3.172
   88    HB2  PRO  10           1HB      PRO  10   3.258   4.281  -5.938
   89    HB3  PRO  10           2HB      PRO  10   4.063   4.563  -4.382
   90    HG2  PRO  10           1HG      PRO  10   4.610   2.413  -5.897
   91    HG3  PRO  10           2HG      PRO  10   4.634   2.346  -4.124
   92    HD2  PRO  10           1HD      PRO  10   2.517   1.358  -6.022
   93    HD3  PRO  10           2HD      PRO  10   3.113   0.629  -4.514
   94    H    TYR  11           H        TYR  11   1.149   6.048  -3.641
   95    HA   TYR  11           HA       TYR  11  -1.357   6.280  -4.539
   96    HB2  TYR  11           1HB      TYR  11   0.820   8.284  -5.187
   97    HB3  TYR  11           2HB      TYR  11  -0.911   8.619  -5.173
   98    HD1  TYR  11           HD1      TYR  11  -2.208   8.326  -3.015
   99    HD2  TYR  11           HD2      TYR  11   2.084   8.268  -3.169
  100    HE1  TYR  11           HE1      TYR  11  -2.115   8.743  -0.572
  101    HE2  TYR  11           HE2      TYR  11   2.177   8.683  -0.726
  102    HH   TYR  11           HH       TYR  11  -0.690   9.477   1.112
  103    H    ILE  12           H        ILE  12   1.459   6.016  -6.593
  104    HA   ILE  12           HA       ILE  12  -0.287   5.795  -8.987
  105    HB   ILE  12           HB       ILE  12   1.235   7.772  -9.048
  106   HG12  ILE  12          1HG1      ILE  12   2.138   5.627 -10.987
  107   HG13  ILE  12          2HG1      ILE  12   0.560   6.406 -11.096
  108   HG21  ILE  12          1HG2      ILE  12   3.521   5.803  -9.197
  109   HG22  ILE  12          2HG2      ILE  12   3.025   6.514  -7.661
  110   HG23  ILE  12          3HG2      ILE  12   3.586   7.551  -8.972
  111   HD11  ILE  12          3HD1      ILE  12   1.668   8.613 -11.253
  112   HD12  ILE  12          1HD1      ILE  12   2.186   7.542 -12.554
  113   HD13  ILE  12          2HD1      ILE  12   3.241   7.823 -11.170
  114    H    LEU  13           H        LEU  13  -0.313   3.807  -9.846
  115    HA   LEU  13           HA       LEU  13   1.410   1.761  -8.766
  116    HB2  LEU  13           1HB      LEU  13   0.131   0.354 -10.568
  117    HB3  LEU  13           2HB      LEU  13  -0.724   0.934  -9.141
  118    HG   LEU  13           HG       LEU  13  -1.660   2.797 -10.377
  119   HD11  LEU  13          1HD1      LEU  13   0.182   1.832 -12.574
  120   HD12  LEU  13          2HD1      LEU  13   0.115   3.435 -11.841
  121   HD13  LEU  13          3HD1      LEU  13  -1.190   2.891 -12.895
  122   HD21  LEU  13          3HD2      LEU  13  -1.876   0.366 -12.167
  123   HD22  LEU  13          1HD2      LEU  13  -3.101   1.598 -11.867
  124   HD23  LEU  13          2HD2      LEU  13  -2.663   0.463 -10.591
  Start of MODEL   20
    1    H1   GLU   1           1H       GLU   1   0.782  -5.950   7.511
    2    H2   GLU   1           2H       GLU   1   1.157  -5.522   9.112
    3    H3   GLU   1           3H       GLU   1  -0.115  -4.744   8.298
    4    HA   GLU   1           HA       GLU   1  -0.512  -7.551   8.287
    5    HB2  GLU   1           1HB      GLU   1  -0.166  -6.182  10.975
    6    HB3  GLU   1           2HB      GLU   1  -0.911  -7.764  10.744
    7    HG2  GLU   1           1HG      GLU   1   1.909  -7.062   9.885
    8    HG3  GLU   1           2HG      GLU   1   1.507  -7.908  11.378
    9    H    LEU   2           H        LEU   2  -1.306  -4.295   9.376
   10    HA   LEU   2           HA       LEU   2  -4.186  -4.897   9.340
   11    HB2  LEU   2           1HB      LEU   2  -3.299  -3.577  11.224
   12    HB3  LEU   2           2HB      LEU   2  -2.699  -2.364  10.099
   13    HG   LEU   2           HG       LEU   2  -5.013  -1.929   9.333
   14   HD11  LEU   2          1HD1      LEU   2  -6.258  -3.882   9.614
   15   HD12  LEU   2          2HD1      LEU   2  -6.809  -2.943  10.999
   16   HD13  LEU   2          3HD1      LEU   2  -5.596  -4.206  11.214
   17   HD21  LEU   2          3HD2      LEU   2  -3.942  -0.754  11.325
   18   HD22  LEU   2          1HD2      LEU   2  -4.888  -1.828  12.355
   19   HD23  LEU   2          2HD2      LEU   2  -5.703  -0.702  11.270
   20    H    TYR   3           H        TYR   3  -2.731  -1.839   8.390
   21    HA   TYR   3           HA       TYR   3  -4.160  -1.985   5.816
   22    HB2  TYR   3           1HB      TYR   3  -3.988   0.397   5.734
   23    HB3  TYR   3           2HB      TYR   3  -4.462  -0.007   7.383
   24    HD1  TYR   3           HD1      TYR   3  -2.583  -0.218   9.155
   25    HD2  TYR   3           HD2      TYR   3  -2.041   1.664   5.331
   26    HE1  TYR   3           HE1      TYR   3  -0.575   0.959  10.013
   27    HE2  TYR   3           HE2      TYR   3  -0.036   2.832   6.183
   28    HH   TYR   3           HH       TYR   3   1.178   2.230   9.477
   29    H    GLU   4           H        GLU   4  -2.016  -3.652   5.882
   30    HA   GLU   4           HA       GLU   4   0.360  -2.321   4.894
   31    HB2  GLU   4           1HB      GLU   4   1.248  -4.606   4.678
   32    HB3  GLU   4           2HB      GLU   4   0.538  -4.347   6.272
   33    HG2  GLU   4           1HG      GLU   4  -1.549  -5.438   5.517
   34    HG3  GLU   4           2HG      GLU   4  -0.829  -5.716   3.933
   35    H    ASN   5           H        ASN   5  -2.407  -2.415   3.486
   36    HA   ASN   5           HA       ASN   5  -1.560  -3.504   0.874
   37    HB2  ASN   5           1HB      ASN   5  -4.249  -2.634   1.950
   38    HB3  ASN   5           2HB      ASN   5  -3.969  -3.091   0.271
   39   HD21  ASN   5          2HD2      ASN   5  -2.602  -5.343   0.204
   40   HD22  ASN   5          1HD2      ASN   5  -3.247  -6.557   1.200
   41    H    LYS   6           H        LYS   6  -1.251  -0.662   2.491
   42    HA   LYS   6           HA       LYS   6  -2.026   1.089   0.271
   43    HB2  LYS   6           1HB      LYS   6  -2.486   1.713   2.658
   44    HB3  LYS   6           2HB      LYS   6  -0.747   1.881   2.892
   45    HG2  LYS   6           1HG      LYS   6  -0.660   3.540   1.068
   46    HG3  LYS   6           2HG      LYS   6  -2.404   3.391   0.854
   47    HD2  LYS   6           1HD      LYS   6  -2.695   4.083   3.252
   48    HD3  LYS   6           2HD      LYS   6  -0.958   4.385   3.324
   49    HE2  LYS   6           1HE      LYS   6  -1.268   5.925   1.318
   50    HE3  LYS   6           2HE      LYS   6  -3.004   5.784   1.591
   51    HZ1  LYS   6           3HZ      LYS   6  -2.666   7.514   2.951
   52    HZ2  LYS   6           1HZ      LYS   6  -1.003   7.217   3.108
   53    HZ3  LYS   6           2HZ      LYS   6  -2.113   6.344   4.052
   54    HA   PRO   7           HA       PRO   7   2.649   1.623   0.134
   55    HB2  PRO   7           1HB      PRO   7   4.324   0.030   1.501
   56    HB3  PRO   7           2HB      PRO   7   3.427   1.325   2.323
   57    HG2  PRO   7           1HG      PRO   7   2.915  -1.610   2.307
   58    HG3  PRO   7           2HG      PRO   7   2.693  -0.435   3.615
   59    HD2  PRO   7           1HD      PRO   7   0.662  -1.401   1.878
   60    HD3  PRO   7           2HD      PRO   7   0.521  -0.017   2.979
   61    H    ARG   8           H        ARG   8   1.032  -1.195  -0.358
   62    HA   ARG   8           HA       ARG   8   3.074  -2.512  -2.010
   63    HB2  ARG   8           1HB      ARG   8   0.229  -3.236  -1.270
   64    HB3  ARG   8           2HB      ARG   8   1.206  -4.170  -2.403
   65    HG2  ARG   8           1HG      ARG   8   2.909  -4.528  -0.661
   66    HG3  ARG   8           2HG      ARG   8   1.955  -3.575   0.476
   67    HD2  ARG   8           1HD      ARG   8   0.100  -5.191   0.273
   68    HD3  ARG   8           2HD      ARG   8   1.054  -6.145  -0.858
   69    HE   ARG   8           HE       ARG   8   1.415  -5.994   2.029
   70   HH11  ARG   8          1HH2      ARG   8   2.719  -6.836  -1.065
   71   HH12  ARG   8          2HH2      ARG   8   3.884  -7.946  -0.427
   72   HH21  ARG   8          1HH1      ARG   8   2.946  -7.444   2.875
   73   HH22  ARG   8          2HH1      ARG   8   4.012  -8.292   1.805
   74    H    ARG   9           H        ARG   9   0.277  -0.554  -2.059
   75    HA   ARG   9           HA       ARG   9   0.395  -0.309  -5.013
   76    HB2  ARG   9           1HB      ARG   9  -2.023  -0.203  -3.186
   77    HB3  ARG   9           2HB      ARG   9  -2.044   0.231  -4.896
   78    HG2  ARG   9           1HG      ARG   9  -1.387  -2.013  -5.538
   79    HG3  ARG   9           2HG      ARG   9  -1.149  -2.469  -3.850
   80    HD2  ARG   9           1HD      ARG   9  -3.289  -3.331  -4.468
   81    HD3  ARG   9           2HD      ARG   9  -3.604  -1.909  -3.478
   82    HE   ARG   9           HE       ARG   9  -3.512  -1.083  -6.160
   83   HH11  ARG   9          1HH2      ARG   9  -5.375  -3.096  -4.051
   84   HH12  ARG   9          2HH2      ARG   9  -6.856  -2.875  -4.922
   85   HH21  ARG   9          1HH1      ARG   9  -5.446  -0.788  -7.307
   86   HH22  ARG   9          2HH1      ARG   9  -6.895  -1.568  -6.771
   87    HA   PRO  10           HA       PRO  10   1.276   3.646  -2.781
   88    HB2  PRO  10           1HB      PRO  10   3.201   4.172  -4.975
   89    HB3  PRO  10           2HB      PRO  10   3.492   4.108  -3.227
   90    HG2  PRO  10           1HG      PRO  10   4.384   2.201  -4.924
   91    HG3  PRO  10           2HG      PRO  10   3.925   1.852  -3.247
   92    HD2  PRO  10           1HD      PRO  10   2.358   1.368  -5.774
   93    HD3  PRO  10           2HD      PRO  10   2.522   0.343  -4.329
   94    H    TYR  11           H        TYR  11   0.556   5.787  -3.377
   95    HA   TYR  11           HA       TYR  11  -1.495   6.091  -5.164
   96    HB2  TYR  11           1HB      TYR  11  -0.849   7.821  -3.525
   97    HB3  TYR  11           2HB      TYR  11   0.578   8.198  -4.490
   98    HD1  TYR  11           HD1      TYR  11  -3.147   7.883  -4.812
   99    HD2  TYR  11           HD2      TYR  11   0.423   9.872  -6.133
  100    HE1  TYR  11           HE1      TYR  11  -4.513   9.414  -6.207
  101    HE2  TYR  11           HE2      TYR  11  -0.941  11.395  -7.531
  102    HH   TYR  11           HH       TYR  11  -4.489  11.068  -7.682
  103    H    ILE  12           H        ILE  12   1.956   6.281  -5.774
  104    HA   ILE  12           HA       ILE  12   1.459   6.482  -8.698
  105    HB   ILE  12           HB       ILE  12   4.033   7.045  -7.193
  106   HG12  ILE  12          1HG1      ILE  12   2.407   8.715  -6.539
  107   HG13  ILE  12          2HG1      ILE  12   3.508   9.447  -7.702
  108   HG21  ILE  12          1HG2      ILE  12   4.794   7.984  -9.292
  109   HG22  ILE  12          2HG2      ILE  12   3.203   7.758 -10.020
  110   HG23  ILE  12          3HG2      ILE  12   4.192   6.358  -9.609
  111   HD11  ILE  12          3HD1      ILE  12   1.406  10.132  -8.490
  112   HD12  ILE  12          1HD1      ILE  12   0.647   8.593  -8.091
  113   HD13  ILE  12          2HD1      ILE  12   1.726   8.709  -9.479
  114    H    LEU  13           H        LEU  13   1.532   4.507  -9.601
  115    HA   LEU  13           HA       LEU  13   2.594   2.238  -8.313
  116    HB2  LEU  13           1HB      LEU  13   0.857   1.996  -9.954
  117    HB3  LEU  13           2HB      LEU  13   1.872   2.705 -11.208
  118    HG   LEU  13           HG       LEU  13   3.418   0.799 -11.068
  119   HD11  LEU  13          1HD1      LEU  13   3.372   0.116  -8.804
  120   HD12  LEU  13          2HD1      LEU  13   2.555  -1.199  -9.646
  121   HD13  LEU  13          3HD1      LEU  13   1.611   0.013  -8.778
  122   HD21  LEU  13          3HD2      LEU  13   1.480   0.622 -12.571
  123   HD22  LEU  13          1HD2      LEU  13   0.509  -0.042 -11.257
  124   HD23  LEU  13          2HD2      LEU  13   1.877  -0.956 -11.891
  Start of MODEL   21
    1    H1   GLU   1           1H       GLU   1  -0.582  -6.346   6.090
    2    H2   GLU   1           2H       GLU   1  -1.511  -7.211   4.959
    3    H3   GLU   1           3H       GLU   1  -0.117  -7.913   5.631
    4    HA   GLU   1           HA       GLU   1  -2.168  -8.800   6.614
    5    HB2  GLU   1           1HB      GLU   1  -0.390  -7.136   8.424
    6    HB3  GLU   1           2HB      GLU   1  -1.468  -8.416   8.977
    7    HG2  GLU   1           1HG      GLU   1   0.765  -8.809   6.966
    8    HG3  GLU   1           2HG      GLU   1   0.890  -9.192   8.681
    9    H    LEU   2           H        LEU   2  -1.620  -5.764   8.346
   10    HA   LEU   2           HA       LEU   2  -4.485  -5.337   8.586
   11    HB2  LEU   2           1HB      LEU   2  -2.194  -3.618   9.570
   12    HB3  LEU   2           2HB      LEU   2  -3.881  -3.515  10.075
   13    HG   LEU   2           HG       LEU   2  -2.060  -5.910  10.476
   14   HD11  LEU   2          1HD1      LEU   2  -1.518  -3.965  11.917
   15   HD12  LEU   2          2HD1      LEU   2  -2.176  -5.305  12.855
   16   HD13  LEU   2          3HD1      LEU   2  -3.192  -3.918  12.466
   17   HD21  LEU   2          3HD2      LEU   2  -4.988  -5.406  11.014
   18   HD22  LEU   2          1HD2      LEU   2  -4.083  -6.504  12.055
   19   HD23  LEU   2          2HD2      LEU   2  -4.215  -6.836  10.332
   20    H    TYR   3           H        TYR   3  -3.551  -2.324   8.684
   21    HA   TYR   3           HA       TYR   3  -4.480  -1.734   5.989
   22    HB2  TYR   3           1HB      TYR   3  -5.355  -0.456   7.901
   23    HB3  TYR   3           2HB      TYR   3  -3.726   0.105   8.277
   24    HD1  TYR   3           HD1      TYR   3  -6.275   0.048   5.540
   25    HD2  TYR   3           HD2      TYR   3  -2.870   2.044   7.234
   26    HE1  TYR   3           HE1      TYR   3  -6.556   1.904   3.918
   27    HE2  TYR   3           HE2      TYR   3  -3.148   3.898   5.608
   28    HH   TYR   3           HH       TYR   3  -4.628   4.839   4.132
   29    H    GLU   4           H        GLU   4  -1.723  -2.874   6.689
   30    HA   GLU   4           HA       GLU   4   0.091  -0.773   5.804
   31    HB2  GLU   4           1HB      GLU   4   0.488  -3.680   6.522
   32    HB3  GLU   4           2HB      GLU   4   1.791  -2.632   5.954
   33    HG2  GLU   4           1HG      GLU   4   0.020  -1.944   8.299
   34    HG3  GLU   4           2HG      GLU   4   1.562  -2.780   8.476
   35    H    ASN   5           H        ASN   5  -2.030  -1.547   4.030
   36    HA   ASN   5           HA       ASN   5  -0.606  -2.898   1.819
   37    HB2  ASN   5           1HB      ASN   5  -2.815  -3.056   0.772
   38    HB3  ASN   5           2HB      ASN   5  -2.864  -3.740   2.397
   39   HD21  ASN   5          2HD2      ASN   5  -5.316  -3.169   1.919
   40   HD22  ASN   5          1HD2      ASN   5  -5.817  -1.628   2.427
   41    H    LYS   6           H        LYS   6  -0.670   0.031   3.050
   42    HA   LYS   6           HA       LYS   6  -1.378   1.563   0.661
   43    HB2  LYS   6           1HB      LYS   6  -1.707   2.208   3.209
   44    HB3  LYS   6           2HB      LYS   6  -0.062   2.813   3.054
   45    HG2  LYS   6           1HG      LYS   6  -0.857   4.067   0.976
   46    HG3  LYS   6           2HG      LYS   6  -2.498   3.654   1.472
   47    HD2  LYS   6           1HD      LYS   6  -1.911   4.669   3.747
   48    HD3  LYS   6           2HD      LYS   6  -0.476   5.333   2.966
   49    HE2  LYS   6           1HE      LYS   6  -2.145   7.037   2.826
   50    HE3  LYS   6           2HE      LYS   6  -2.046   6.323   1.217
   51    HZ1  LYS   6           3HZ      LYS   6  -4.088   5.816   3.303
   52    HZ2  LYS   6           1HZ      LYS   6  -3.911   4.833   1.932
   53    HZ3  LYS   6           2HZ      LYS   6  -4.322   6.472   1.753
   54    HA   PRO   7           HA       PRO   7   3.293   2.206   0.591
   55    HB2  PRO   7           1HB      PRO   7   4.951   0.820   2.205
   56    HB3  PRO   7           2HB      PRO   7   4.027   2.211   2.810
   57    HG2  PRO   7           1HG      PRO   7   3.552  -0.697   3.221
   58    HG3  PRO   7           2HG      PRO   7   3.234   0.662   4.313
   59    HD2  PRO   7           1HD      PRO   7   1.333  -0.635   2.629
   60    HD3  PRO   7           2HD      PRO   7   1.079   0.872   3.533
   61    H    ARG   8           H        ARG   8   1.652  -0.452   0.079
   62    HA   ARG   8           HA       ARG   8   3.805  -1.950  -1.320
   63    HB2  ARG   8           1HB      ARG   8   1.035  -2.801  -0.430
   64    HB3  ARG   8           2HB      ARG   8   2.118  -3.792  -1.403
   65    HG2  ARG   8           1HG      ARG   8   3.811  -3.712   0.397
   66    HG3  ARG   8           2HG      ARG   8   2.719  -2.730   1.376
   67    HD2  ARG   8           1HD      ARG   8   1.053  -4.559   1.335
   68    HD3  ARG   8           2HD      ARG   8   2.164  -5.542   0.385
   69    HE   ARG   8           HE       ARG   8   3.309  -4.607   2.865
   70   HH11  ARG   8          1HH2      ARG   8   1.347  -6.995   1.310
   71   HH12  ARG   8          2HH2      ARG   8   1.645  -8.217   2.501
   72   HH21  ARG   8          1HH1      ARG   8   3.704  -6.204   4.434
   73   HH22  ARG   8          2HH1      ARG   8   2.982  -7.768   4.269
   74    H    ARG   9           H        ARG   9   0.965  -0.091  -1.476
   75    HA   ARG   9           HA       ARG   9   0.836  -0.352  -4.426
   76    HB2  ARG   9           1HB      ARG   9  -1.163  -1.257  -3.058
   77    HB3  ARG   9           2HB      ARG   9  -1.504   0.431  -2.683
   78    HG2  ARG   9           1HG      ARG   9  -1.674   0.968  -5.061
   79    HG3  ARG   9           2HG      ARG   9  -1.219  -0.681  -5.492
   80    HD2  ARG   9           1HD      ARG   9  -3.577  -0.674  -5.657
   81    HD3  ARG   9           2HD      ARG   9  -3.256  -1.418  -4.094
   82    HE   ARG   9           HE       ARG   9  -4.136   0.483  -3.041
   83   HH11  ARG   9          1HH2      ARG   9  -3.756   0.941  -6.451
   84   HH12  ARG   9          2HH2      ARG   9  -4.695   2.396  -6.500
   85   HH21  ARG   9          1HH1      ARG   9  -5.363   2.392  -3.097
   86   HH22  ARG   9          2HH1      ARG   9  -5.604   3.218  -4.600
   87    HA   PRO  10           HA       PRO  10   2.097   3.885  -3.081
   88    HB2  PRO  10           1HB      PRO  10   3.342   3.936  -5.795
   89    HB3  PRO  10           2HB      PRO  10   4.070   4.303  -4.219
   90    HG2  PRO  10           1HG      PRO  10   4.648   2.047  -5.558
   91    HG3  PRO  10           2HG      PRO  10   4.572   2.097  -3.786
   92    HD2  PRO  10           1HD      PRO  10   2.545   1.022  -5.733
   93    HD3  PRO  10           2HD      PRO  10   3.030   0.391  -4.141
   94    H    TYR  11           H        TYR  11   1.134   5.886  -3.715
   95    HA   TYR  11           HA       TYR  11  -1.320   6.036  -4.807
   96    HB2  TYR  11           1HB      TYR  11   0.699   8.146  -5.566
   97    HB3  TYR  11           2HB      TYR  11  -1.005   8.348  -5.157
   98    HD1  TYR  11           HD1      TYR  11  -1.677   7.437  -2.735
   99    HD2  TYR  11           HD2      TYR  11   2.281   8.626  -3.911
  100    HE1  TYR  11           HE1      TYR  11  -1.073   7.790  -0.356
  101    HE2  TYR  11           HE2      TYR  11   2.882   8.979  -1.533
  102    HH   TYR  11           HH       TYR  11   2.238   8.660   0.590
  103    H    ILE  12           H        ILE  12   1.696   5.902  -6.600
  104    HA   ILE  12           HA       ILE  12   0.189   5.537  -9.135
  105    HB   ILE  12           HB       ILE  12   3.026   6.533  -8.716
  106   HG12  ILE  12          1HG1      ILE  12   0.611   7.983  -9.835
  107   HG13  ILE  12          2HG1      ILE  12   1.137   8.128  -8.158
  108   HG21  ILE  12          1HG2      ILE  12   1.369   6.079 -11.217
  109   HG22  ILE  12          2HG2      ILE  12   2.847   5.229 -10.768
  110   HG23  ILE  12          3HG2      ILE  12   2.908   6.939 -11.187
  111   HD11  ILE  12          3HD1      ILE  12   2.046   9.963  -9.551
  112   HD12  ILE  12          1HD1      ILE  12   2.839   8.773 -10.585
  113   HD13  ILE  12          2HD1      ILE  12   3.333   8.948  -8.900
  114    H    LEU  13           H        LEU  13   0.098   3.418  -9.602
  115    HA   LEU  13           HA       LEU  13   1.777   1.494  -8.377
  116    HB2  LEU  13           1HB      LEU  13  -0.457   0.928  -9.082
  117    HB3  LEU  13           2HB      LEU  13  -0.058   1.246 -10.768
  118    HG   LEU  13           HG       LEU  13   1.484  -0.782  -9.128
  119   HD11  LEU  13          1HD1      LEU  13  -1.018  -1.311 -10.762
  120   HD12  LEU  13          2HD1      LEU  13  -0.912  -1.371  -9.002
  121   HD13  LEU  13          3HD1      LEU  13  -0.015  -2.533  -9.980
  122   HD21  LEU  13          3HD2      LEU  13   2.682  -0.761 -11.072
  123   HD22  LEU  13          1HD2      LEU  13   1.406   0.036 -11.986
  124   HD23  LEU  13          2HD2      LEU  13   1.359  -1.707 -11.740
  Start of MODEL   22
    1    H1   GLU   1           1H       GLU   1  -0.565  -8.494   7.710
    2    H2   GLU   1           2H       GLU   1  -1.787  -8.800   6.571
    3    H3   GLU   1           3H       GLU   1  -2.164  -8.033   8.039
    4    HA   GLU   1           HA       GLU   1  -0.454  -6.270   7.244
    5    HB2  GLU   1           1HB      GLU   1  -1.379  -7.618   4.685
    6    HB3  GLU   1           2HB      GLU   1  -0.597  -6.041   4.751
    7    HG2  GLU   1           1HG      GLU   1   1.203  -7.480   4.318
    8    HG3  GLU   1           2HG      GLU   1   1.286  -7.284   6.066
    9    H    LEU   2           H        LEU   2  -2.044  -5.176   8.409
   10    HA   LEU   2           HA       LEU   2  -4.743  -4.919   7.326
   11    HB2  LEU   2           1HB      LEU   2  -3.456  -3.597   9.728
   12    HB3  LEU   2           2HB      LEU   2  -5.174  -3.593   9.338
   13    HG   LEU   2           HG       LEU   2  -3.523  -6.080   9.887
   14   HD11  LEU   2          1HD1      LEU   2  -3.820  -4.747  11.918
   15   HD12  LEU   2          2HD1      LEU   2  -4.859  -6.170  11.991
   16   HD13  LEU   2          3HD1      LEU   2  -5.548  -4.596  11.593
   17   HD21  LEU   2          3HD2      LEU   2  -5.978  -6.992  10.134
   18   HD22  LEU   2          1HD2      LEU   2  -5.299  -6.801   8.519
   19   HD23  LEU   2          2HD2      LEU   2  -6.414  -5.591   9.157
   20    H    TYR   3           H        TYR   3  -2.620  -2.395   8.622
   21    HA   TYR   3           HA       TYR   3  -3.557  -0.530   6.584
   22    HB2  TYR   3           1HB      TYR   3  -3.367   0.240   8.905
   23    HB3  TYR   3           2HB      TYR   3  -1.647  -0.152   8.906
   24    HD1  TYR   3           HD2      TYR   3  -4.230   2.136   7.615
   25    HD2  TYR   3           HD1      TYR   3  -0.042   1.181   7.636
   26    HE1  TYR   3           HE2      TYR   3  -3.719   4.348   6.617
   27    HE2  TYR   3           HE1      TYR   3   0.468   3.389   6.636
   28    HH   TYR   3           HH       TYR   3  -1.686   5.920   6.576
   29    H    GLU   4           H        GLU   4  -1.095  -2.779   6.892
   30    HA   GLU   4           HA       GLU   4   0.964  -1.293   5.495
   31    HB2  GLU   4           1HB      GLU   4   0.721  -4.192   6.314
   32    HB3  GLU   4           2HB      GLU   4   2.136  -3.506   5.508
   33    HG2  GLU   4           1HG      GLU   4   0.980  -2.375   8.055
   34    HG3  GLU   4           2HG      GLU   4   2.273  -3.573   8.042
   35    H    ASN   5           H        ASN   5  -1.799  -1.973   4.365
   36    HA   ASN   5           HA       ASN   5  -0.987  -3.382   1.901
   37    HB2  ASN   5           1HB      ASN   5  -3.683  -2.599   3.030
   38    HB3  ASN   5           2HB      ASN   5  -3.460  -3.263   1.412
   39   HD21  ASN   5          2HD2      ASN   5  -4.986  -4.626   3.439
   40   HD22  ASN   5          1HD2      ASN   5  -4.164  -6.054   3.843
   41    H    LYS   6           H        LYS   6  -0.770  -0.384   3.092
   42    HA   LYS   6           HA       LYS   6  -1.889   1.023   0.755
   43    HB2  LYS   6           1HB      LYS   6  -2.104   1.787   3.247
   44    HB3  LYS   6           2HB      LYS   6  -0.470   2.408   3.019
   45    HG2  LYS   6           1HG      LYS   6  -1.301   3.602   0.956
   46    HG3  LYS   6           2HG      LYS   6  -2.936   3.133   1.418
   47    HD2  LYS   6           1HD      LYS   6  -2.640   4.297   3.590
   48    HD3  LYS   6           2HD      LYS   6  -1.025   4.799   3.083
   49    HE2  LYS   6           1HE      LYS   6  -1.900   6.120   1.287
   50    HE3  LYS   6           2HE      LYS   6  -3.515   5.438   1.487
   51    HZ1  LYS   6           3HZ      LYS   6  -3.310   6.401   3.855
   52    HZ2  LYS   6           1HZ      LYS   6  -3.685   7.441   2.570
   53    HZ3  LYS   6           2HZ      LYS   6  -2.100   7.384   3.180
   54    HA   PRO   7           HA       PRO   7   2.685   2.018   0.237
   55    HB2  PRO   7           1HB      PRO   7   4.592   0.829   1.707
   56    HB3  PRO   7           2HB      PRO   7   3.590   2.124   2.396
   57    HG2  PRO   7           1HG      PRO   7   3.418  -0.821   2.814
   58    HG3  PRO   7           2HG      PRO   7   3.117   0.497   3.959
   59    HD2  PRO   7           1HD      PRO   7   1.145  -0.920   2.483
   60    HD3  PRO   7           2HD      PRO   7   0.883   0.580   3.397
   61    H    ARG   8           H        ARG   8   1.274  -0.877   0.013
   62    HA   ARG   8           HA       ARG   8   3.451  -2.252  -1.437
   63    HB2  ARG   8           1HB      ARG   8   0.667  -3.142  -0.630
   64    HB3  ARG   8           2HB      ARG   8   1.796  -4.122  -1.566
   65    HG2  ARG   8           1HG      ARG   8   3.433  -4.004   0.280
   66    HG3  ARG   8           2HG      ARG   8   2.304  -3.026   1.217
   67    HD2  ARG   8           1HD      ARG   8   0.655  -4.877   1.133
   68    HD3  ARG   8           2HD      ARG   8   1.826  -5.861   0.259
   69    HE   ARG   8           HE       ARG   8   1.873  -5.204   3.094
   70   HH11  ARG   8          1HH2      ARG   8   3.602  -6.337   0.317
   71   HH12  ARG   8          2HH2      ARG   8   4.769  -7.225   1.238
   72   HH21  ARG   8          1HH1      ARG   8   3.394  -6.363   4.301
   73   HH22  ARG   8          2HH1      ARG   8   4.657  -7.235   3.497
   74    H    ARG   9           H        ARG   9   0.505  -0.537  -1.712
   75    HA   ARG   9           HA       ARG   9   0.602  -0.716  -4.672
   76    HB2  ARG   9           1HB      ARG   9  -1.384  -1.888  -3.680
   77    HB3  ARG   9           2HB      ARG   9  -1.883  -0.351  -2.976
   78    HG2  ARG   9           1HG      ARG   9  -1.885   0.641  -5.277
   79    HG3  ARG   9           2HG      ARG   9  -1.552  -0.967  -5.925
   80    HD2  ARG   9           1HD      ARG   9  -3.622  -1.828  -5.007
   81    HD3  ARG   9           2HD      ARG   9  -3.925  -0.313  -4.164
   82    HE   ARG   9           HE       ARG   9  -3.683  -0.014  -7.032
   83   HH11  ARG   9          1HH2      ARG   9  -5.730  -0.780  -4.358
   84   HH12  ARG   9          2HH2      ARG   9  -7.190  -0.283  -5.145
   85   HH21  ARG   9          1HH1      ARG   9  -5.605   0.626  -8.093
   86   HH22  ARG   9          2HH1      ARG   9  -7.119   0.504  -7.263
   87    HA   PRO  10           HA       PRO  10   1.260   3.573  -3.082
   88    HB2  PRO  10           1HB      PRO  10   2.995   3.842  -5.486
   89    HB3  PRO  10           2HB      PRO  10   3.381   4.159  -3.785
   90    HG2  PRO  10           1HG      PRO  10   4.374   2.033  -5.096
   91    HG3  PRO  10           2HG      PRO  10   3.966   1.971  -3.370
   92    HD2  PRO  10           1HD      PRO  10   2.398   0.915  -5.711
   93    HD3  PRO  10           2HD      PRO  10   2.676   0.184  -4.118
   94    H    TYR  11           H        TYR  11   0.398   5.569  -3.946
   95    HA   TYR  11           HA       TYR  11  -1.775   5.335  -5.683
   96    HB2  TYR  11           1HB      TYR  11  -1.552   7.237  -4.171
   97    HB3  TYR  11           2HB      TYR  11  -0.117   7.789  -5.037
   98    HD1  TYR  11           HD1      TYR  11  -3.767   7.159  -5.371
   99    HD2  TYR  11           HD2      TYR  11  -0.302   9.061  -7.052
  100    HE1  TYR  11           HE1      TYR  11  -5.215   8.381  -6.970
  101    HE2  TYR  11           HE2      TYR  11  -1.751  10.284  -8.653
  102    HH   TYR  11           HH       TYR  11  -4.246   9.711  -9.676
  103    H    ILE  12           H        ILE  12   1.524   6.508  -6.326
  104    HA   ILE  12           HA       ILE  12   1.137   6.989  -9.100
  105    HB   ILE  12           HB       ILE  12   3.707   6.331  -7.635
  106   HG12  ILE  12          1HG1      ILE  12   2.483   9.043  -8.231
  107   HG13  ILE  12          2HG1      ILE  12   2.379   8.242  -6.664
  108   HG21  ILE  12          1HG2      ILE  12   3.832   6.221 -10.120
  109   HG22  ILE  12          2HG2      ILE  12   4.771   7.563  -9.468
  110   HG23  ILE  12          3HG2      ILE  12   3.199   7.865 -10.205
  111   HD11  ILE  12          3HD1      ILE  12   4.262   9.751  -6.578
  112   HD12  ILE  12          1HD1      ILE  12   4.894   9.126  -8.102
  113   HD13  ILE  12          2HD1      ILE  12   4.901   8.107  -6.661
  114    H    LEU  13           H        LEU  13   2.376   4.246  -7.247
  115    HA   LEU  13           HA       LEU  13   2.247   1.997  -7.739
  116    HB2  LEU  13           1HB      LEU  13   0.422   2.790  -9.470
  117    HB3  LEU  13           2HB      LEU  13   1.694   2.489 -10.643
  118    HG   LEU  13           HG       LEU  13   0.395   0.472 -10.457
  119   HD11  LEU  13          1HD1      LEU  13   2.100  -1.104  -9.936
  120   HD12  LEU  13          2HD1      LEU  13   2.851  -0.020  -8.766
  121   HD13  LEU  13          3HD1      LEU  13   2.943   0.340 -10.491
  122   HD21  LEU  13          3HD2      LEU  13  -0.389  -0.471  -8.498
  123   HD22  LEU  13          1HD2      LEU  13  -0.304   1.203  -7.961
  124   HD23  LEU  13          2HD2      LEU  13   0.983   0.075  -7.540
  Start of MODEL   23
    1    H1   GLU   1           1H       GLU   1  -0.213  -4.975   8.393
    2    H2   GLU   1           2H       GLU   1   1.178  -5.771   8.961
    3    H3   GLU   1           3H       GLU   1   0.476  -4.522   9.875
    4    HA   GLU   1           HA       GLU   1  -0.290  -7.316   9.633
    5    HB2  GLU   1           1HB      GLU   1  -0.567  -5.152  11.737
    6    HB3  GLU   1           2HB      GLU   1  -1.117  -6.812  11.957
    7    HG2  GLU   1           1HG      GLU   1   1.177  -7.630  11.580
    8    HG3  GLU   1           2HG      GLU   1   1.730  -5.973  11.337
    9    H    LEU   2           H        LEU   2  -1.826  -4.117   9.929
   10    HA   LEU   2           HA       LEU   2  -4.481  -5.296   9.463
   11    HB2  LEU   2           1HB      LEU   2  -3.618  -2.474  10.150
   12    HB3  LEU   2           2HB      LEU   2  -5.292  -2.999   9.964
   13    HG   LEU   2           HG       LEU   2  -3.331  -4.220  11.929
   14   HD11  LEU   2          1HD1      LEU   2  -3.960  -1.791  12.364
   15   HD12  LEU   2          2HD1      LEU   2  -4.369  -2.923  13.653
   16   HD13  LEU   2          3HD1      LEU   2  -5.624  -2.346  12.556
   17   HD21  LEU   2          3HD2      LEU   2  -4.960  -5.861  11.650
   18   HD22  LEU   2          1HD2      LEU   2  -6.221  -4.702  11.237
   19   HD23  LEU   2          2HD2      LEU   2  -5.718  -4.902  12.914
   20    H    TYR   3           H        TYR   3  -3.643  -2.089   8.386
   21    HA   TYR   3           HA       TYR   3  -4.336  -2.864   5.618
   22    HB2  TYR   3           1HB      TYR   3  -5.606  -1.018   6.824
   23    HB3  TYR   3           2HB      TYR   3  -4.126  -0.061   6.737
   24    HD1  TYR   3           HD2      TYR   3  -6.546  -1.981   4.645
   25    HD2  TYR   3           HD1      TYR   3  -3.565   1.108   4.749
   26    HE1  TYR   3           HE2      TYR   3  -7.086  -1.383   2.300
   27    HE2  TYR   3           HE1      TYR   3  -4.109   1.712   2.404
   28    HH   TYR   3           HH       TYR   3  -5.661  -0.203   0.338
   29    H    GLU   4           H        GLU   4  -1.895  -3.721   6.232
   30    HA   GLU   4           HA       GLU   4   0.125  -1.728   5.599
   31    HB2  GLU   4           1HB      GLU   4   1.704  -3.589   5.876
   32    HB3  GLU   4           2HB      GLU   4   0.587  -3.512   7.242
   33    HG2  GLU   4           1HG      GLU   4  -0.789  -5.285   6.240
   34    HG3  GLU   4           2HG      GLU   4   0.301  -5.365   4.855
   35    H    ASN   5           H        ASN   5  -2.083  -2.764   3.708
   36    HA   ASN   5           HA       ASN   5  -0.415  -3.727   1.471
   37    HB2  ASN   5           1HB      ASN   5  -2.567  -4.221   0.376
   38    HB3  ASN   5           2HB      ASN   5  -2.440  -5.022   1.941
   39   HD21  ASN   5          2HD2      ASN   5  -4.886  -5.036   1.898
   40   HD22  ASN   5          1HD2      ASN   5  -5.715  -3.631   2.370
   41    H    LYS   6           H        LYS   6  -0.580  -0.918   2.581
   42    HA   LYS   6           HA       LYS   6  -1.853   0.596   0.455
   43    HB2  LYS   6           1HB      LYS   6  -1.857   1.311   2.872
   44    HB3  LYS   6           2HB      LYS   6  -0.137   1.652   2.703
   45    HG2  LYS   6           1HG      LYS   6  -0.683   3.164   0.776
   46    HG3  LYS   6           2HG      LYS   6  -2.394   2.911   1.121
   47    HD2  LYS   6           1HD      LYS   6  -1.990   3.742   3.452
   48    HD3  LYS   6           2HD      LYS   6  -0.336   4.134   2.980
   49    HE2  LYS   6           1HE      LYS   6  -1.119   5.710   1.316
   50    HE3  LYS   6           2HE      LYS   6  -2.794   5.222   1.579
   51    HZ1  LYS   6           3HZ      LYS   6  -1.079   6.345   3.717
   52    HZ2  LYS   6           1HZ      LYS   6  -2.758   6.103   3.755
   53    HZ3  LYS   6           2HZ      LYS   6  -2.097   7.301   2.748
   54    HA   PRO   7           HA       PRO   7   2.652   1.523  -0.600
   55    HB2  PRO   7           1HB      PRO   7   4.660  -0.059   0.304
   56    HB3  PRO   7           2HB      PRO   7   3.980   1.252   1.287
   57    HG2  PRO   7           1HG      PRO   7   3.571  -1.680   1.508
   58    HG3  PRO   7           2HG      PRO   7   3.552  -0.439   2.772
   59    HD2  PRO   7           1HD      PRO   7   1.277  -1.607   1.516
   60    HD3  PRO   7           2HD      PRO   7   1.272  -0.196   2.596
   61    H    ARG   8           H        ARG   8   1.027  -1.276  -0.950
   62    HA   ARG   8           HA       ARG   8   2.771  -2.485  -2.988
   63    HB2  ARG   8           1HB      ARG   8   0.039  -3.279  -1.941
   64    HB3  ARG   8           2HB      ARG   8   0.934  -4.158  -3.180
   65    HG2  ARG   8           1HG      ARG   8   2.787  -4.527  -1.598
   66    HG3  ARG   8           2HG      ARG   8   1.907  -3.638  -0.354
   67    HD2  ARG   8           1HD      ARG   8   1.579  -6.038  -0.028
   68    HD3  ARG   8           2HD      ARG   8   0.059  -5.290  -0.509
   69    HE   ARG   8           HE       ARG   8   0.190  -6.415  -2.566
   70   HH11  ARG   8          1HH2      ARG   8   3.099  -6.729  -0.716
   71   HH12  ARG   8          2HH2      ARG   8   3.758  -7.986  -1.708
   72   HH21  ARG   8          1HH1      ARG   8   1.054  -8.057  -3.878
   73   HH22  ARG   8          2HH1      ARG   8   2.607  -8.729  -3.505
   74    H    ARG   9           H        ARG   9   0.044  -0.504  -2.464
   75    HA   ARG   9           HA       ARG   9  -0.324  -0.098  -5.377
   76    HB2  ARG   9           1HB      ARG   9  -2.713   0.565  -4.693
   77    HB3  ARG   9           2HB      ARG   9  -2.327  -1.156  -4.698
   78    HG2  ARG   9           1HG      ARG   9  -2.155  -1.251  -2.348
   79    HG3  ARG   9           2HG      ARG   9  -2.018   0.501  -2.194
   80    HD2  ARG   9           1HD      ARG   9  -4.308  -0.659  -1.648
   81    HD3  ARG   9           2HD      ARG   9  -4.304   0.842  -2.569
   82    HE   ARG   9           HE       ARG   9  -4.150  -1.226  -4.428
   83   HH11  ARG   9          1HH2      ARG   9  -6.282  -0.108  -1.943
   84   HH12  ARG   9          2HH2      ARG   9  -7.711  -0.733  -2.696
   85   HH21  ARG   9          1HH1      ARG   9  -6.023  -2.053  -5.420
   86   HH22  ARG   9          2HH1      ARG   9  -7.564  -1.833  -4.661
   87    HA   PRO  10           HA       PRO  10   0.805   3.718  -2.911
   88    HB2  PRO  10           1HB      PRO  10   3.027   4.480  -4.306
   89    HB3  PRO  10           2HB      PRO  10   3.085   3.289  -2.989
   90    HG2  PRO  10           1HG      PRO  10   2.988   2.829  -5.947
   91    HG3  PRO  10           2HG      PRO  10   4.019   2.057  -4.725
   92    HD2  PRO  10           1HD      PRO  10   1.769   0.859  -5.686
   93    HD3  PRO  10           2HD      PRO  10   2.328   0.626  -4.010
   94    H    TYR  11           H        TYR  11   0.385   5.907  -3.556
   95    HA   TYR  11           HA       TYR  11  -1.410   6.398  -5.577
   96    HB2  TYR  11           1HB      TYR  11   0.692   8.220  -4.391
   97    HB3  TYR  11           2HB      TYR  11  -0.584   8.791  -5.468
   98    HD1  TYR  11           HD1      TYR  11  -2.981   8.564  -4.796
   99    HD2  TYR  11           HD2      TYR  11   0.239   7.633  -2.109
  100    HE1  TYR  11           HE1      TYR  11  -4.555   8.653  -2.880
  101    HE2  TYR  11           HE2      TYR  11  -1.330   7.726  -0.192
  102    HH   TYR  11           HH       TYR  11  -4.077   7.339  -0.053
  103    H    ILE  12           H        ILE  12   2.128   6.630  -5.717
  104    HA   ILE  12           HA       ILE  12   2.006   6.896  -8.665
  105    HB   ILE  12           HB       ILE  12   4.346   7.227  -6.758
  106   HG12  ILE  12          1HG1      ILE  12   2.846   9.344  -8.328
  107   HG13  ILE  12          2HG1      ILE  12   2.499   8.972  -6.639
  108   HG21  ILE  12          1HG2      ILE  12   4.035   7.702  -9.738
  109   HG22  ILE  12          2HG2      ILE  12   5.079   6.510  -8.965
  110   HG23  ILE  12          3HG2      ILE  12   5.423   8.230  -8.789
  111   HD11  ILE  12          3HD1      ILE  12   5.244   9.747  -7.659
  112   HD12  ILE  12          1HD1      ILE  12   4.741   9.581  -5.976
  113   HD13  ILE  12          2HD1      ILE  12   4.098  10.892  -6.964
  114    H    LEU  13           H        LEU  13   1.877   4.930  -9.565
  115    HA   LEU  13           HA       LEU  13   2.692   2.535  -8.348
  116    HB2  LEU  13           1HB      LEU  13   2.484   1.565 -10.674
  117    HB3  LEU  13           2HB      LEU  13   1.059   2.375 -10.040
  118    HG   LEU  13           HG       LEU  13   1.904   4.484 -11.274
  119   HD11  LEU  13          1HD1      LEU  13   3.720   2.364 -12.430
  120   HD12  LEU  13          2HD1      LEU  13   4.133   3.989 -11.890
  121   HD13  LEU  13          3HD1      LEU  13   3.238   3.761 -13.387
  122   HD21  LEU  13          3HD2      LEU  13   0.876   3.739 -13.383
  123   HD22  LEU  13          1HD2      LEU  13  -0.028   3.131 -11.996
  124   HD23  LEU  13          2HD2      LEU  13   1.056   2.057 -12.883
  Start of MODEL   24
    1    H1   GLU   1           1H       GLU   1   0.545  -6.879   8.800
    2    H2   GLU   1           2H       GLU   1  -0.449  -5.522   8.563
    3    H3   GLU   1           3H       GLU   1   0.821  -5.846   7.483
    4    HA   GLU   1           HA       GLU   1  -0.466  -7.107   6.232
    5    HB2  GLU   1           1HB      GLU   1  -1.522  -9.123   7.171
    6    HB3  GLU   1           2HB      GLU   1   0.121  -8.942   7.786
    7    HG2  GLU   1           1HG      GLU   1  -0.796  -7.874   9.841
    8    HG3  GLU   1           2HG      GLU   1  -2.426  -8.156   9.233
    9    H    LEU   2           H        LEU   2  -1.715  -5.317   8.831
   10    HA   LEU   2           HA       LEU   2  -4.518  -5.585   8.107
   11    HB2  LEU   2           1HB      LEU   2  -3.085  -3.736  10.028
   12    HB3  LEU   2           2HB      LEU   2  -4.833  -3.797   9.824
   13    HG   LEU   2           HG       LEU   2  -3.129  -6.185  10.598
   14   HD11  LEU   2          1HD1      LEU   2  -4.831  -4.371  12.334
   15   HD12  LEU   2          2HD1      LEU   2  -3.069  -4.434  12.335
   16   HD13  LEU   2          3HD1      LEU   2  -4.002  -5.830  12.876
   17   HD21  LEU   2          3HD2      LEU   2  -6.082  -5.711  10.215
   18   HD22  LEU   2          1HD2      LEU   2  -5.555  -6.875  11.431
   19   HD23  LEU   2          2HD2      LEU   2  -5.106  -7.101   9.746
   20    H    TYR   3           H        TYR   3  -3.078  -2.468   8.743
   21    HA   TYR   3           HA       TYR   3  -4.211  -1.432   6.242
   22    HB2  TYR   3           1HB      TYR   3  -4.709  -0.225   8.315
   23    HB3  TYR   3           2HB      TYR   3  -2.984  -0.005   8.614
   24    HD1  TYR   3           HD1      TYR   3  -5.603   0.623   6.008
   25    HD2  TYR   3           HD2      TYR   3  -1.897   1.902   7.763
   26    HE1  TYR   3           HE1      TYR   3  -5.622   2.644   4.575
   27    HE2  TYR   3           HE2      TYR   3  -1.917   3.925   6.330
   28    HH   TYR   3           HH       TYR   3  -3.598   4.266   3.660
   29    H    GLU   4           H        GLU   4  -1.476  -2.939   6.904
   30    HA   GLU   4           HA       GLU   4   0.443  -1.056   5.789
   31    HB2  GLU   4           1HB      GLU   4   0.662  -3.953   6.634
   32    HB3  GLU   4           2HB      GLU   4   2.005  -3.015   5.980
   33    HG2  GLU   4           1HG      GLU   4   1.804  -1.388   7.782
   34    HG3  GLU   4           2HG      GLU   4   0.387  -2.224   8.415
   35    H    ASN   5           H        ASN   5  -1.966  -2.195   4.301
   36    HA   ASN   5           HA       ASN   5  -0.607  -3.492   2.020
   37    HB2  ASN   5           1HB      ASN   5  -3.528  -3.168   2.742
   38    HB3  ASN   5           2HB      ASN   5  -2.963  -3.875   1.229
   39   HD21  ASN   5          2HD2      ASN   5  -4.426  -5.160   3.576
   40   HD22  ASN   5          1HD2      ASN   5  -3.443  -6.471   4.022
   41    H    LYS   6           H        LYS   6  -1.064  -0.473   3.041
   42    HA   LYS   6           HA       LYS   6  -2.185   0.706   0.634
   43    HB2  LYS   6           1HB      LYS   6  -2.469   1.572   3.049
   44    HB3  LYS   6           2HB      LYS   6  -0.844   2.223   2.862
   45    HG2  LYS   6           1HG      LYS   6  -2.104   4.038   2.122
   46    HG3  LYS   6           2HG      LYS   6  -1.827   3.203   0.595
   47    HD2  LYS   6           1HD      LYS   6  -4.025   2.097   0.792
   48    HD3  LYS   6           2HD      LYS   6  -4.296   2.900   2.337
   49    HE2  LYS   6           1HE      LYS   6  -3.703   4.478  -0.169
   50    HE3  LYS   6           2HE      LYS   6  -5.344   3.981   0.238
   51    HZ1  LYS   6           3HZ      LYS   6  -3.927   6.157   1.233
   52    HZ2  LYS   6           1HZ      LYS   6  -4.108   5.066   2.519
   53    HZ3  LYS   6           2HZ      LYS   6  -5.478   5.629   1.685
   54    HA   PRO   7           HA       PRO   7   2.315   2.009   0.019
   55    HB2  PRO   7           1HB      PRO   7   4.323   0.765   1.359
   56    HB3  PRO   7           2HB      PRO   7   3.396   2.099   2.074
   57    HG2  PRO   7           1HG      PRO   7   3.246  -0.808   2.634
   58    HG3  PRO   7           2HG      PRO   7   2.921   0.567   3.702
   59    HD2  PRO   7           1HD      PRO   7   0.983  -1.003   2.314
   60    HD3  PRO   7           2HD      PRO   7   0.676   0.497   3.213
   61    H    ARG   8           H        ARG   8   1.004  -0.947  -0.153
   62    HA   ARG   8           HA       ARG   8   3.067  -2.242  -1.803
   63    HB2  ARG   8           1HB      ARG   8   0.243  -3.159  -1.184
   64    HB3  ARG   8           2HB      ARG   8   1.538  -4.128  -1.877
   65    HG2  ARG   8           1HG      ARG   8   1.705  -2.859   0.868
   66    HG3  ARG   8           2HG      ARG   8   1.136  -4.504   0.603
   67    HD2  ARG   8           1HD      ARG   8   3.887  -3.389   0.004
   68    HD3  ARG   8           2HD      ARG   8   3.465  -4.646   1.157
   69    HE   ARG   8           HE       ARG   8   3.775  -4.966  -1.709
   70   HH11  ARG   8          1HH2      ARG   8   2.410  -6.187   1.229
   71   HH12  ARG   8          2HH2      ARG   8   2.327  -7.824   0.669
   72   HH21  ARG   8          1HH1      ARG   8   3.670  -7.105  -2.446
   73   HH22  ARG   8          2HH1      ARG   8   3.042  -8.345  -1.414
   74    H    ARG   9           H        ARG   9   0.182  -0.440  -1.835
   75    HA   ARG   9           HA       ARG   9   0.090  -0.420  -4.794
   76    HB2  ARG   9           1HB      ARG   9  -2.142  -0.269  -2.756
   77    HB3  ARG   9           2HB      ARG   9  -2.349   0.241  -4.432
   78    HG2  ARG   9           1HG      ARG   9  -1.561  -2.042  -5.148
   79    HG3  ARG   9           2HG      ARG   9  -1.579  -2.523  -3.451
   80    HD2  ARG   9           1HD      ARG   9  -4.009  -1.357  -4.823
   81    HD3  ARG   9           2HD      ARG   9  -3.672  -3.083  -4.813
   82    HE   ARG   9           HE       ARG   9  -4.141  -3.142  -2.509
   83   HH11  ARG   9          1HH2      ARG   9  -4.136   0.086  -3.772
   84   HH12  ARG   9          2HH2      ARG   9  -4.896   0.778  -2.378
   85   HH21  ARG   9          1HH1      ARG   9  -5.135  -2.236  -0.682
   86   HH22  ARG   9          2HH1      ARG   9  -5.461  -0.535  -0.632
   87    HA   PRO  10           HA       PRO  10   1.080   3.674  -2.930
   88    HB2  PRO  10           1HB      PRO  10   3.192   4.359  -4.496
   89    HB3  PRO  10           2HB      PRO  10   3.354   3.245  -3.120
   90    HG2  PRO  10           1HG      PRO  10   3.143   2.629  -6.034
   91    HG3  PRO  10           2HG      PRO  10   4.184   1.894  -4.804
   92    HD2  PRO  10           1HD      PRO  10   1.813   0.774  -5.697
   93    HD3  PRO  10           2HD      PRO  10   2.529   0.433  -4.102
   94    H    TYR  11           H        TYR  11   0.638   5.808  -3.728
   95    HA   TYR  11           HA       TYR  11  -1.335   6.127  -5.611
   96    HB2  TYR  11           1HB      TYR  11   0.849   8.148  -5.040
   97    HB3  TYR  11           2HB      TYR  11  -0.762   8.490  -5.667
   98    HD1  TYR  11           HD1      TYR  11  -2.788   7.955  -4.228
   99    HD2  TYR  11           HD2      TYR  11   1.230   7.897  -2.707
  100    HE1  TYR  11           HE1      TYR  11  -3.661   8.093  -1.911
  101    HE2  TYR  11           HE2      TYR  11   0.356   8.037  -0.391
  102    HH   TYR  11           HH       TYR  11  -1.499   8.501   0.847
  103    H    ILE  12           H        ILE  12   2.175   6.311  -6.098
  104    HA   ILE  12           HA       ILE  12   1.801   6.476  -9.025
  105    HB   ILE  12           HB       ILE  12   4.343   6.629  -7.382
  106   HG12  ILE  12          1HG1      ILE  12   2.898   8.507  -6.809
  107   HG13  ILE  12          2HG1      ILE  12   4.203   9.080  -7.842
  108   HG21  ILE  12          1HG2      ILE  12   5.190   7.705  -9.513
  109   HG22  ILE  12          2HG2      ILE  12   3.696   7.176 -10.287
  110   HG23  ILE  12          3HG2      ILE  12   4.825   5.985  -9.643
  111   HD11  ILE  12          3HD1      ILE  12   2.501   8.661  -9.797
  112   HD12  ILE  12          1HD1      ILE  12   2.320  10.099  -8.797
  113   HD13  ILE  12          2HD1      ILE  12   1.294   8.696  -8.515
  114    H    LEU  13           H        LEU  13   1.479   4.512  -9.885
  115    HA   LEU  13           HA       LEU  13   2.416   2.109  -8.678
  116    HB2  LEU  13           1HB      LEU  13   1.753   1.257 -11.145
  117    HB3  LEU  13           2HB      LEU  13   0.549   1.616  -9.910
  118    HG   LEU  13           HG       LEU  13   1.485   3.883 -11.657
  119   HD11  LEU  13          1HD1      LEU  13  -0.300   3.283 -13.315
  120   HD12  LEU  13          2HD1      LEU  13  -0.440   1.711 -12.530
  121   HD13  LEU  13          3HD1      LEU  13   1.070   2.172 -13.318
  122   HD21  LEU  13          3HD2      LEU  13  -0.643   4.787 -11.168
  123   HD22  LEU  13          1HD2      LEU  13  -0.213   3.963  -9.671
  124   HD23  LEU  13          2HD2      LEU  13  -1.334   3.208 -10.799
  Start of MODEL   25
    1    H1   GLU   1           1H       GLU   1   0.063  -6.170   8.879
    2    H2   GLU   1           2H       GLU   1   1.453  -6.806   8.134
    3    H3   GLU   1           3H       GLU   1   0.386  -7.834   8.969
    4    HA   GLU   1           HA       GLU   1   0.091  -6.583   6.330
    5    HB2  GLU   1           1HB      GLU   1  -0.496  -9.301   7.533
    6    HB3  GLU   1           2HB      GLU   1  -0.877  -8.861   5.869
    7    HG2  GLU   1           1HG      GLU   1   1.485  -8.393   5.422
    8    HG3  GLU   1           2HG      GLU   1   1.892  -8.755   7.099
    9    H    LEU   2           H        LEU   2  -1.248  -5.466   8.711
   10    HA   LEU   2           HA       LEU   2  -4.074  -6.205   8.295
   11    HB2  LEU   2           1HB      LEU   2  -2.574  -4.661  10.404
   12    HB3  LEU   2           2HB      LEU   2  -4.318  -4.466  10.236
   13    HG   LEU   2           HG       LEU   2  -4.612  -6.909  10.484
   14   HD11  LEU   2          1HD1      LEU   2  -2.541  -8.163  11.352
   15   HD12  LEU   2          2HD1      LEU   2  -1.598  -6.818  10.708
   16   HD13  LEU   2          3HD1      LEU   2  -2.581  -7.803   9.627
   17   HD21  LEU   2          3HD2      LEU   2  -4.543  -5.316  12.468
   18   HD22  LEU   2          1HD2      LEU   2  -2.876  -5.830  12.721
   19   HD23  LEU   2          2HD2      LEU   2  -4.189  -7.001  12.850
   20    H    TYR   3           H        TYR   3  -2.558  -3.061   8.967
   21    HA   TYR   3           HA       TYR   3  -4.297  -1.824   6.936
   22    HB2  TYR   3           1HB      TYR   3  -4.267  -0.876   9.237
   23    HB3  TYR   3           2HB      TYR   3  -2.552  -0.512   9.035
   24    HD1  TYR   3           HD2      TYR   3  -5.923   0.124   7.559
   25    HD2  TYR   3           HD1      TYR   3  -1.849   1.446   7.896
   26    HE1  TYR   3           HE2      TYR   3  -6.504   2.222   6.373
   27    HE2  TYR   3           HE1      TYR   3  -2.430   3.540   6.705
   28    HH   TYR   3           HH       TYR   3  -5.390   4.707   6.385
   29    H    GLU   4           H        GLU   4  -1.545  -3.336   6.723
   30    HA   GLU   4           HA       GLU   4   0.141  -1.303   5.508
   31    HB2  GLU   4           1HB      GLU   4   0.410  -4.310   5.763
   32    HB3  GLU   4           2HB      GLU   4   1.613  -3.275   4.995
   33    HG2  GLU   4           1HG      GLU   4   2.411  -3.459   7.197
   34    HG3  GLU   4           2HG      GLU   4   1.552  -1.924   7.224
   35    H    ASN   5           H        ASN   5  -2.387  -1.499   4.301
   36    HA   ASN   5           HA       ASN   5  -1.882  -2.847   1.719
   37    HB2  ASN   5           1HB      ASN   5  -4.404  -1.695   2.937
   38    HB3  ASN   5           2HB      ASN   5  -4.301  -2.376   1.314
   39   HD21  ASN   5          2HD2      ASN   5  -2.457  -4.549   2.009
   40   HD22  ASN   5          1HD2      ASN   5  -3.336  -5.651   2.956
   41    H    LYS   6           H        LYS   6  -1.136  -0.027   3.065
   42    HA   LYS   6           HA       LYS   6  -2.027   1.739   0.904
   43    HB2  LYS   6           1HB      LYS   6  -0.743   2.147   3.591
   44    HB3  LYS   6           2HB      LYS   6  -0.654   3.428   2.385
   45    HG2  LYS   6           1HG      LYS   6  -3.325   2.152   2.950
   46    HG3  LYS   6           2HG      LYS   6  -2.682   3.324   4.099
   47    HD2  LYS   6           1HD      LYS   6  -2.572   5.039   2.426
   48    HD3  LYS   6           2HD      LYS   6  -2.901   3.891   1.131
   49    HE2  LYS   6           1HE      LYS   6  -4.815   4.639   3.361
   50    HE3  LYS   6           2HE      LYS   6  -4.930   5.163   1.682
   51    HZ1  LYS   6           3HZ      LYS   6  -6.338   3.344   1.790
   52    HZ2  LYS   6           1HZ      LYS   6  -5.301   2.458   2.798
   53    HZ3  LYS   6           2HZ      LYS   6  -4.909   2.676   1.160
   54    HA   PRO   7           HA       PRO   7   2.634   1.761   0.167
   55    HB2  PRO   7           1HB      PRO   7   4.264  -0.062   1.299
   56    HB3  PRO   7           2HB      PRO   7   3.684   1.349   2.208
   57    HG2  PRO   7           1HG      PRO   7   2.798  -1.488   2.356
   58    HG3  PRO   7           2HG      PRO   7   2.893  -0.268   3.638
   59    HD2  PRO   7           1HD      PRO   7   0.554  -1.011   2.197
   60    HD3  PRO   7           2HD      PRO   7   0.717   0.388   3.278
   61    H    ARG   8           H        ARG   8   0.576  -0.732  -0.224
   62    HA   ARG   8           HA       ARG   8   2.235  -2.343  -2.038
   63    HB2  ARG   8           1HB      ARG   8  -0.664  -2.560  -1.181
   64    HB3  ARG   8           2HB      ARG   8   0.099  -3.631  -2.353
   65    HG2  ARG   8           1HG      ARG   8   1.764  -4.309  -0.660
   66    HG3  ARG   8           2HG      ARG   8   0.999  -3.244   0.518
   67    HD2  ARG   8           1HD      ARG   8  -1.113  -4.517   0.281
   68    HD3  ARG   8           2HD      ARG   8  -0.323  -5.595  -0.864
   69    HE   ARG   8           HE       ARG   8   1.188  -5.551   1.516
   70   HH11  ARG   8          1HH2      ARG   8  -1.864  -6.583   0.255
   71   HH12  ARG   8          2HH2      ARG   8  -2.051  -7.878   1.387
   72   HH21  ARG   8          1HH1      ARG   8   0.948  -7.248   3.011
   73   HH22  ARG   8          2HH1      ARG   8  -0.460  -8.257   2.947
   74    H    ARG   9           H        ARG   9  -0.111   0.146  -1.892
   75    HA   ARG   9           HA       ARG   9  -0.157   0.376  -4.849
   76    HB2  ARG   9           1HB      ARG   9  -2.358   0.969  -2.856
   77    HB3  ARG   9           2HB      ARG   9  -2.408   1.438  -4.556
   78    HG2  ARG   9           1HG      ARG   9  -2.267  -0.890  -5.252
   79    HG3  ARG   9           2HG      ARG   9  -2.062  -1.412  -3.580
   80    HD2  ARG   9           1HD      ARG   9  -4.297  -0.434  -3.048
   81    HD3  ARG   9           2HD      ARG   9  -4.506  -0.062  -4.757
   82    HE   ARG   9           HE       ARG   9  -3.909  -2.772  -4.625
   83   HH11  ARG   9          1HH2      ARG   9  -6.307  -0.588  -3.420
   84   HH12  ARG   9          2HH2      ARG   9  -7.572  -1.770  -3.397
   85   HH21  ARG   9          1HH1      ARG   9  -5.565  -4.328  -4.604
   86   HH22  ARG   9          2HH1      ARG   9  -7.152  -3.888  -4.068
   87    HA   PRO  10           HA       PRO  10   2.110   3.841  -2.398
   88    HB2  PRO  10           1HB      PRO  10   3.054   3.851  -5.273
   89    HB3  PRO  10           2HB      PRO  10   3.954   4.277  -3.800
   90    HG2  PRO  10           1HG      PRO  10   4.173   1.857  -4.949
   91    HG3  PRO  10           2HG      PRO  10   4.269   2.081  -3.193
   92    HD2  PRO  10           1HD      PRO  10   2.141   0.767  -4.758
   93    HD3  PRO  10           2HD      PRO  10   2.428   0.735  -3.005
   94    H    TYR  11           H        TYR  11   1.519   4.417  -5.845
   95    HA   TYR  11           HA       TYR  11  -0.791   6.068  -5.496
   96    HB2  TYR  11           1HB      TYR  11   1.885   7.399  -6.016
   97    HB3  TYR  11           2HB      TYR  11   0.332   8.168  -6.335
   98    HD1  TYR  11           HD1      TYR  11  -1.304   8.480  -4.423
   99    HD2  TYR  11           HD2      TYR  11   2.787   7.317  -3.814
  100    HE1  TYR  11           HE1      TYR  11  -1.467   9.156  -2.043
  101    HE2  TYR  11           HE2      TYR  11   2.624   7.994  -1.434
  102    HH   TYR  11           HH       TYR  11  -0.454   9.021  -0.023
  103    H    ILE  12           H        ILE  12   2.109   5.763  -7.537
  104    HA   ILE  12           HA       ILE  12   0.385   5.035  -9.817
  105    HB   ILE  12           HB       ILE  12   1.179   7.479  -9.839
  106   HG12  ILE  12          1HG1      ILE  12   2.139   5.819 -12.187
  107   HG13  ILE  12          2HG1      ILE  12   0.430   6.101 -11.859
  108   HG21  ILE  12          1HG2      ILE  12   3.443   7.958 -10.315
  109   HG22  ILE  12          2HG2      ILE  12   3.810   6.279 -10.707
  110   HG23  ILE  12          3HG2      ILE  12   3.520   6.752  -9.032
  111   HD11  ILE  12          3HD1      ILE  12   1.348   7.753 -13.471
  112   HD12  ILE  12          1HD1      ILE  12   2.502   8.280 -12.245
  113   HD13  ILE  12          2HD1      ILE  12   0.774   8.520 -11.989
  114    H    LEU  13           H        LEU  13   2.431   3.839  -7.776
  115    HA   LEU  13           HA       LEU  13   3.988   2.165  -7.766
  116    HB2  LEU  13           1HB      LEU  13   2.273   0.941  -8.954
  117    HB3  LEU  13           2HB      LEU  13   2.748   1.673 -10.483
  118    HG   LEU  13           HG       LEU  13   4.920   0.552 -10.393
  119   HD11  LEU  13          1HD1      LEU  13   3.956  -0.258  -7.648
  120   HD12  LEU  13          2HD1      LEU  13   5.508   0.443  -8.112
  121   HD13  LEU  13          3HD1      LEU  13   5.147  -1.236  -8.505
  122   HD21  LEU  13          3HD2      LEU  13   2.891  -0.648 -11.283
  123   HD22  LEU  13          1HD2      LEU  13   2.726  -1.425  -9.710
  124   HD23  LEU  13          2HD2      LEU  13   4.155  -1.727 -10.695
  Start of MODEL   26
    1    H1   GLU   1           1H       GLU   1  -0.363  -4.337   9.602
    2    H2   GLU   1           2H       GLU   1   0.765  -4.163   8.343
    3    H3   GLU   1           3H       GLU   1   1.229  -4.887   9.807
    4    HA   GLU   1           HA       GLU   1   0.526  -6.259   7.632
    5    HB2  GLU   1           1HB      GLU   1   0.240  -8.166   9.185
    6    HB3  GLU   1           2HB      GLU   1   1.604  -7.153   9.662
    7    HG2  GLU   1           1HG      GLU   1   0.151  -5.998  11.307
    8    HG3  GLU   1           2HG      GLU   1  -1.187  -7.051  10.851
    9    H    LEU   2           H        LEU   2  -1.669  -4.503   9.531
   10    HA   LEU   2           HA       LEU   2  -3.994  -6.147   8.923
   11    HB2  LEU   2           1HB      LEU   2  -3.899  -4.916  11.056
   12    HB3  LEU   2           2HB      LEU   2  -3.771  -3.396  10.177
   13    HG   LEU   2           HG       LEU   2  -5.992  -3.733   9.200
   14   HD11  LEU   2          1HD1      LEU   2  -6.303  -6.049   8.936
   15   HD12  LEU   2          2HD1      LEU   2  -7.347  -5.702  10.313
   16   HD13  LEU   2          3HD1      LEU   2  -5.752  -6.407  10.572
   17   HD21  LEU   2          3HD2      LEU   2  -7.307  -3.721  11.386
   18   HD22  LEU   2          1HD2      LEU   2  -5.978  -2.565  11.287
   19   HD23  LEU   2          2HD2      LEU   2  -5.780  -4.060  12.201
   20    H    TYR   3           H        TYR   3  -3.694  -2.645   8.524
   21    HA   TYR   3           HA       TYR   3  -4.873  -2.876   5.816
   22    HB2  TYR   3           1HB      TYR   3  -6.044  -1.487   7.598
   23    HB3  TYR   3           2HB      TYR   3  -4.665  -0.389   7.527
   24    HD1  TYR   3           HD1      TYR   3  -7.356  -1.944   5.460
   25    HD2  TYR   3           HD2      TYR   3  -4.435   1.187   5.772
   26    HE1  TYR   3           HE1      TYR   3  -8.293  -0.868   3.433
   27    HE2  TYR   3           HE2      TYR   3  -5.362   2.256   3.741
   28    HH   TYR   3           HH       TYR   3  -8.357   1.438   2.434
   29    H    GLU   4           H        GLU   4  -2.017  -3.245   6.623
   30    HA   GLU   4           HA       GLU   4  -0.645  -0.928   5.526
   31    HB2  GLU   4           1HB      GLU   4   0.274  -3.617   6.565
   32    HB3  GLU   4           2HB      GLU   4   1.384  -2.477   5.804
   33    HG2  GLU   4           1HG      GLU   4   1.564  -2.000   8.111
   34    HG3  GLU   4           2HG      GLU   4   0.479  -0.749   7.516
   35    H    ASN   5           H        ASN   5  -2.501  -2.019   3.761
   36    HA   ASN   5           HA       ASN   5  -0.930  -3.496   1.747
   37    HB2  ASN   5           1HB      ASN   5  -3.879  -2.892   2.013
   38    HB3  ASN   5           2HB      ASN   5  -3.171  -3.634   0.581
   39   HD21  ASN   5          2HD2      ASN   5  -1.323  -5.419   1.678
   40   HD22  ASN   5          1HD2      ASN   5  -2.131  -6.561   2.642
   41    H    LYS   6           H        LYS   6  -1.095  -0.437   2.588
   42    HA   LYS   6           HA       LYS   6  -1.797   0.803   0.065
   43    HB2  LYS   6           1HB      LYS   6  -2.151   1.798   2.419
   44    HB3  LYS   6           2HB      LYS   6  -0.430   2.174   2.372
   45    HG2  LYS   6           1HG      LYS   6  -1.304   4.134   1.464
   46    HG3  LYS   6           2HG      LYS   6  -1.027   3.199  -0.002
   47    HD2  LYS   6           1HD      LYS   6  -3.224   3.884  -0.352
   48    HD3  LYS   6           2HD      LYS   6  -3.506   2.341   0.446
   49    HE2  LYS   6           1HE      LYS   6  -4.911   3.812   1.627
   50    HE3  LYS   6           2HE      LYS   6  -3.479   3.736   2.651
   51    HZ1  LYS   6           3HZ      LYS   6  -4.566   6.007   1.823
   52    HZ2  LYS   6           1HZ      LYS   6  -3.467   5.757   0.559
   53    HZ3  LYS   6           2HZ      LYS   6  -2.909   5.848   2.161
   54    HA   PRO   7           HA       PRO   7   2.906   1.383  -0.145
   55    HB2  PRO   7           1HB      PRO   7   4.573  -0.223   1.228
   56    HB3  PRO   7           2HB      PRO   7   3.758   1.141   2.022
   57    HG2  PRO   7           1HG      PRO   7   3.115  -1.767   2.129
   58    HG3  PRO   7           2HG      PRO   7   3.020  -0.544   3.411
   59    HD2  PRO   7           1HD      PRO   7   0.860  -1.459   1.855
   60    HD3  PRO   7           2HD      PRO   7   0.854   0.017   2.846
   61    H    ARG   8           H        ARG   8   1.072  -1.140  -0.751
   62    HA   ARG   8           HA       ARG   8   3.017  -2.659  -2.390
   63    HB2  ARG   8           1HB      ARG   8   0.192  -3.303  -1.490
   64    HB3  ARG   8           2HB      ARG   8   1.103  -4.266  -2.652
   65    HG2  ARG   8           1HG      ARG   8   2.825  -4.730  -1.005
   66    HG3  ARG   8           2HG      ARG   8   2.060  -3.646   0.158
   67    HD2  ARG   8           1HD      ARG   8   1.470  -5.963   0.679
   68    HD3  ARG   8           2HD      ARG   8   0.040  -5.087   0.140
   69    HE   ARG   8           HE       ARG   8   1.293  -6.347  -2.077
   70   HH11  ARG   8          1HH2      ARG   8  -0.563  -7.007   0.776
   71   HH12  ARG   8          2HH2      ARG   8  -1.284  -8.443   0.131
   72   HH21  ARG   8          1HH1      ARG   8   0.356  -8.217  -2.916
   73   HH22  ARG   8          2HH1      ARG   8  -0.757  -9.137  -1.957
   74    H    ARG   9           H        ARG   9   0.431  -0.484  -2.257
   75    HA   ARG   9           HA       ARG   9   0.237  -0.343  -5.213
   76    HB2  ARG   9           1HB      ARG   9  -1.884  -0.004  -3.087
   77    HB3  ARG   9           2HB      ARG   9  -2.071   0.670  -4.707
   78    HG2  ARG   9           1HG      ARG   9  -1.712  -1.590  -5.670
   79    HG3  ARG   9           2HG      ARG   9  -1.578  -2.249  -4.041
   80    HD2  ARG   9           1HD      ARG   9  -3.871  -1.460  -3.545
   81    HD3  ARG   9           2HD      ARG   9  -4.011  -0.850  -5.193
   82    HE   ARG   9           HE       ARG   9  -4.197  -3.611  -4.352
   83   HH11  ARG   9          1HH2      ARG   9  -3.428  -1.412  -6.905
   84   HH12  ARG   9          2HH2      ARG   9  -3.745  -2.548  -8.174
   85   HH21  ARG   9          1HH1      ARG   9  -4.603  -5.117  -6.000
   86   HH22  ARG   9          2HH1      ARG   9  -4.430  -4.650  -7.658
   87    HA   PRO  10           HA       PRO  10   2.140   3.423  -3.321
   88    HB2  PRO  10           1HB      PRO  10   3.386   3.650  -6.027
   89    HB3  PRO  10           2HB      PRO  10   4.151   3.708  -4.425
   90    HG2  PRO  10           1HG      PRO  10   4.420   1.576  -6.005
   91    HG3  PRO  10           2HG      PRO  10   4.259   1.407  -4.247
   92    HD2  PRO  10           1HD      PRO  10   2.168   0.988  -6.377
   93    HD3  PRO  10           2HD      PRO  10   2.508   0.024  -4.919
   94    H    TYR  11           H        TYR  11   1.733   5.663  -3.706
   95    HA   TYR  11           HA       TYR  11  -0.712   6.328  -4.855
   96    HB2  TYR  11           1HB      TYR  11   1.699   8.127  -4.486
   97    HB3  TYR  11           2HB      TYR  11   0.046   8.671  -4.765
   98    HD1  TYR  11           HD2      TYR  11  -1.675   8.440  -3.058
   99    HD2  TYR  11           HD1      TYR  11   2.345   7.114  -2.332
  100    HE1  TYR  11           HE2      TYR  11  -2.172   8.274  -0.638
  101    HE2  TYR  11           HE1      TYR  11   1.847   6.946   0.093
  102    HH   TYR  11           HH       TYR  11  -1.380   7.197   1.325
  103    H    ILE  12           H        ILE  12   2.544   6.415  -6.201
  104    HA   ILE  12           HA       ILE  12   1.586   7.324  -8.809
  105    HB   ILE  12           HB       ILE  12   3.993   7.295  -9.405
  106   HG12  ILE  12          1HG1      ILE  12   4.416   6.450  -6.519
  107   HG13  ILE  12          2HG1      ILE  12   4.580   5.361  -7.894
  108   HG21  ILE  12          1HG2      ILE  12   4.662   9.097  -7.848
  109   HG22  ILE  12          2HG2      ILE  12   3.350   8.639  -6.761
  110   HG23  ILE  12          3HG2      ILE  12   2.984   9.289  -8.359
  111   HD11  ILE  12          3HD1      ILE  12   6.154   7.930  -7.565
  112   HD12  ILE  12          1HD1      ILE  12   6.374   6.714  -8.821
  113   HD13  ILE  12          2HD1      ILE  12   6.761   6.329  -7.144
  114    H    LEU  13           H        LEU  13   1.254   4.540  -7.360
  115    HA   LEU  13           HA       LEU  13   1.090   2.340  -7.992
  116    HB2  LEU  13           1HB      LEU  13   0.881   3.795 -10.622
  117    HB3  LEU  13           2HB      LEU  13   0.871   2.033 -10.571
  118    HG   LEU  13           HG       LEU  13  -1.032   2.145  -8.939
  119   HD11  LEU  13          1HD1      LEU  13  -0.760   5.094  -9.562
  120   HD12  LEU  13          2HD1      LEU  13  -0.760   4.320  -7.979
  121   HD13  LEU  13          3HD1      LEU  13  -2.246   4.396  -8.920
  122   HD21  LEU  13          3HD2      LEU  13  -1.445   1.827 -11.356
  123   HD22  LEU  13          1HD2      LEU  13  -1.456   3.575 -11.582
  124   HD23  LEU  13          2HD2      LEU  13  -2.722   2.803 -10.628
  Start of MODEL   27
    1    H1   GLU   1           1H       GLU   1  -2.125  -7.627   7.763
    2    H2   GLU   1           2H       GLU   1  -1.001  -8.757   8.349
    3    H3   GLU   1           3H       GLU   1  -0.527  -7.149   8.071
    4    HA   GLU   1           HA       GLU   1  -2.166  -8.256  10.250
    5    HB2  GLU   1           1HB      GLU   1   0.147  -6.307  10.039
    6    HB3  GLU   1           2HB      GLU   1  -0.691  -6.683  11.546
    7    HG2  GLU   1           1HG      GLU   1  -0.095  -9.035  11.345
    8    HG3  GLU   1           2HG      GLU   1   0.641  -8.747   9.769
    9    H    LEU   2           H        LEU   2  -1.110  -4.973   9.391
   10    HA   LEU   2           HA       LEU   2  -3.835  -3.973   9.963
   11    HB2  LEU   2           1HB      LEU   2  -1.242  -2.431   9.679
   12    HB3  LEU   2           2HB      LEU   2  -2.785  -1.804  10.259
   13    HG   LEU   2           HG       LEU   2  -1.162  -3.994  11.594
   14   HD11  LEU   2          1HD1      LEU   2  -1.535  -1.050  12.171
   15   HD12  LEU   2          2HD1      LEU   2  -0.026  -1.937  11.959
   16   HD13  LEU   2          3HD1      LEU   2  -1.000  -2.189  13.407
   17   HD21  LEU   2          3HD2      LEU   2  -3.397  -4.447  12.185
   18   HD22  LEU   2          1HD2      LEU   2  -3.850  -2.742  12.169
   19   HD23  LEU   2          2HD2      LEU   2  -2.872  -3.387  13.488
   20    H    TYR   3           H        TYR   3  -3.167  -1.467   8.521
   21    HA   TYR   3           HA       TYR   3  -4.062  -2.332   5.887
   22    HB2  TYR   3           1HB      TYR   3  -4.555  -0.039   5.465
   23    HB3  TYR   3           2HB      TYR   3  -5.023  -0.332   7.137
   24    HD1  TYR   3           HD1      TYR   3  -3.296   0.254   8.986
   25    HD2  TYR   3           HD2      TYR   3  -3.026   1.673   4.942
   26    HE1  TYR   3           HE1      TYR   3  -1.780   2.074   9.721
   27    HE2  TYR   3           HE2      TYR   3  -1.509   3.486   5.674
   28    HH   TYR   3           HH       TYR   3  -1.124   4.751   7.928
   29    H    GLU   4           H        GLU   4  -1.625  -3.353   6.226
   30    HA   GLU   4           HA       GLU   4   0.437  -1.573   5.226
   31    HB2  GLU   4           1HB      GLU   4   1.891  -3.518   5.394
   32    HB3  GLU   4           2HB      GLU   4   0.927  -3.376   6.866
   33    HG2  GLU   4           1HG      GLU   4  -0.682  -5.035   5.931
   34    HG3  GLU   4           2HG      GLU   4   0.372  -5.236   4.532
   35    H    ASN   5           H        ASN   5  -2.075  -2.377   3.666
   36    HA   ASN   5           HA       ASN   5  -0.808  -3.573   1.279
   37    HB2  ASN   5           1HB      ASN   5  -3.113  -3.878   0.473
   38    HB3  ASN   5           2HB      ASN   5  -2.881  -4.640   2.046
   39   HD21  ASN   5          2HD2      ASN   5  -5.302  -4.399   2.288
   40   HD22  ASN   5          1HD2      ASN   5  -5.924  -2.900   2.790
   41    H    LYS   6           H        LYS   6  -1.029  -0.604   2.495
   42    HA   LYS   6           HA       LYS   6  -2.094   0.770   0.152
   43    HB2  LYS   6           1HB      LYS   6  -2.378   1.542   2.599
   44    HB3  LYS   6           2HB      LYS   6  -0.715   2.106   2.474
   45    HG2  LYS   6           1HG      LYS   6  -1.334   3.442   0.475
   46    HG3  LYS   6           2HG      LYS   6  -3.010   2.925   0.674
   47    HD2  LYS   6           1HD      LYS   6  -3.153   4.004   2.838
   48    HD3  LYS   6           2HD      LYS   6  -1.427   4.368   2.817
   49    HE2  LYS   6           1HE      LYS   6  -2.824   6.337   2.194
   50    HE3  LYS   6           2HE      LYS   6  -1.723   5.854   0.903
   51    HZ1  LYS   6           3HZ      LYS   6  -3.429   5.444  -0.428
   52    HZ2  LYS   6           1HZ      LYS   6  -4.459   6.124   0.736
   53    HZ3  LYS   6           2HZ      LYS   6  -4.181   4.448   0.725
   54    HA   PRO   7           HA       PRO   7   2.480   1.797  -0.343
   55    HB2  PRO   7           1HB      PRO   7   4.388   0.580   1.121
   56    HB3  PRO   7           2HB      PRO   7   3.408   1.897   1.801
   57    HG2  PRO   7           1HG      PRO   7   3.229  -1.030   2.281
   58    HG3  PRO   7           2HG      PRO   7   2.887   0.316   3.380
   59    HD2  PRO   7           1HD      PRO   7   0.972  -1.178   1.877
   60    HD3  PRO   7           2HD      PRO   7   0.662   0.306   2.800
   61    H    ARG   8           H        ARG   8   1.058  -1.061  -0.596
   62    HA   ARG   8           HA       ARG   8   3.193  -2.529  -1.988
   63    HB2  ARG   8           1HB      ARG   8   1.493  -3.714  -0.524
   64    HB3  ARG   8           2HB      ARG   8   0.262  -3.232  -1.695
   65    HG2  ARG   8           1HG      ARG   8   1.434  -4.428  -3.475
   66    HG3  ARG   8           2HG      ARG   8   2.727  -4.865  -2.359
   67    HD2  ARG   8           1HD      ARG   8   1.247  -6.760  -2.531
   68    HD3  ARG   8           2HD      ARG   8   1.012  -6.037  -0.943
   69    HE   ARG   8           HE       ARG   8  -0.833  -4.938  -2.813
   70   HH11  ARG   8          1HH2      ARG   8  -0.096  -7.756  -0.945
   71   HH12  ARG   8          2HH2      ARG   8  -1.736  -8.310  -0.875
   72   HH21  ARG   8          1HH1      ARG   8  -2.986  -5.666  -2.741
   73   HH22  ARG   8          2HH1      ARG   8  -3.371  -7.133  -1.904
   74    H    ARG   9           H        ARG   9   0.337  -0.664  -2.367
   75    HA   ARG   9           HA       ARG   9   0.648  -0.629  -5.312
   76    HB2  ARG   9           1HB      ARG   9  -1.878   0.039  -5.190
   77    HB3  ARG   9           2HB      ARG   9  -1.441  -1.664  -5.034
   78    HG2  ARG   9           1HG      ARG   9  -1.551  -1.502  -2.592
   79    HG3  ARG   9           2HG      ARG   9  -1.905   0.222  -2.704
   80    HD2  ARG   9           1HD      ARG   9  -4.002  -0.899  -2.390
   81    HD3  ARG   9           2HD      ARG   9  -3.943  -0.386  -4.073
   82    HE   ARG   9           HE       ARG   9  -2.919  -2.954  -4.056
   83   HH11  ARG   9          1HH2      ARG   9  -5.828  -1.359  -3.072
   84   HH12  ARG   9          2HH2      ARG   9  -6.844  -2.733  -3.357
   85   HH21  ARG   9          1HH1      ARG   9  -4.244  -4.759  -4.439
   86   HH22  ARG   9          2HH1      ARG   9  -5.946  -4.659  -4.131
   87    HA   PRO  10           HA       PRO  10   1.494   3.483  -3.377
   88    HB2  PRO  10           1HB      PRO  10   3.130   3.848  -5.850
   89    HB3  PRO  10           2HB      PRO  10   3.585   4.095  -4.152
   90    HG2  PRO  10           1HG      PRO  10   4.487   2.002  -5.555
   91    HG3  PRO  10           2HG      PRO  10   4.106   1.871  -3.829
   92    HD2  PRO  10           1HD      PRO  10   2.493   0.942  -6.193
   93    HD3  PRO  10           2HD      PRO  10   2.743   0.156  -4.618
   94    H    TYR  11           H        TYR  11   0.643   5.525  -3.921
   95    HA   TYR  11           HA       TYR  11  -1.558   5.607  -5.657
   96    HB2  TYR  11           1HB      TYR  11  -1.331   7.176  -3.805
   97    HB3  TYR  11           2HB      TYR  11   0.106   7.881  -4.546
   98    HD1  TYR  11           HD2      TYR  11  -3.538   7.277  -5.101
   99    HD2  TYR  11           HD1      TYR  11  -0.089   9.605  -6.161
  100    HE1  TYR  11           HE2      TYR  11  -4.977   8.808  -6.417
  101    HE2  TYR  11           HE1      TYR  11  -1.527  11.136  -7.477
  102    HH   TYR  11           HH       TYR  11  -4.590  10.408  -8.441
  103    H    ILE  12           H        ILE  12   1.790   6.685  -6.084
  104    HA   ILE  12           HA       ILE  12   1.276   7.469  -8.862
  105    HB   ILE  12           HB       ILE  12   3.632   8.213  -8.818
  106   HG12  ILE  12          1HG1      ILE  12   3.575   7.306  -5.922
  107   HG13  ILE  12          2HG1      ILE  12   4.432   6.460  -7.210
  108   HG21  ILE  12          1HG2      ILE  12   1.677   9.612  -7.956
  109   HG22  ILE  12          2HG2      ILE  12   3.276  10.087  -7.379
  110   HG23  ILE  12          3HG2      ILE  12   2.199   9.164  -6.331
  111   HD11  ILE  12          3HD1      ILE  12   5.762   8.503  -7.653
  112   HD12  ILE  12          1HD1      ILE  12   5.976   7.925  -5.999
  113   HD13  ILE  12          2HD1      ILE  12   4.937   9.313  -6.321
  114    H    LEU  13           H        LEU  13   1.616   4.631  -7.404
  115    HA   LEU  13           HA       LEU  13   2.309   2.533  -8.031
  116    HB2  LEU  13           1HB      LEU  13   2.548   3.794 -10.772
  117    HB3  LEU  13           2HB      LEU  13   2.471   2.071 -10.422
  118    HG   LEU  13           HG       LEU  13   0.285   4.062  -9.740
  119   HD11  LEU  13          1HD1      LEU  13  -0.914   3.179 -11.642
  120   HD12  LEU  13          2HD1      LEU  13   0.330   1.962 -11.925
  121   HD13  LEU  13          3HD1      LEU  13   0.685   3.666 -12.206
  122   HD21  LEU  13          3HD2      LEU  13  -0.997   1.778  -9.604
  123   HD22  LEU  13          1HD2      LEU  13   0.023   2.250  -8.249
  124   HD23  LEU  13          2HD2      LEU  13   0.608   1.072  -9.423
  Start of MODEL   28
    1    H1   GLU   1           1H       GLU   1  -0.401  -7.529   7.089
    2    H2   GLU   1           2H       GLU   1  -1.982  -8.067   6.777
    3    H3   GLU   1           3H       GLU   1  -0.790  -9.169   7.282
    4    HA   GLU   1           HA       GLU   1  -1.831  -8.866   9.260
    5    HB2  GLU   1           1HB      GLU   1   0.114  -6.555   9.010
    6    HB3  GLU   1           2HB      GLU   1  -0.592  -7.079  10.540
    7    HG2  GLU   1           1HG      GLU   1   0.373  -9.312  10.252
    8    HG3  GLU   1           2HG      GLU   1   1.023  -8.848   8.680
    9    H    LEU   2           H        LEU   2  -1.345  -5.419   9.002
   10    HA   LEU   2           HA       LEU   2  -4.257  -4.991   9.293
   11    HB2  LEU   2           1HB      LEU   2  -1.977  -3.057   9.781
   12    HB3  LEU   2           2HB      LEU   2  -3.671  -2.823  10.205
   13    HG   LEU   2           HG       LEU   2  -1.865  -4.989  11.321
   14   HD11  LEU   2          1HD1      LEU   2  -2.903  -2.374  12.437
   15   HD12  LEU   2          2HD1      LEU   2  -1.223  -2.879  12.256
   16   HD13  LEU   2          3HD1      LEU   2  -2.253  -3.657  13.459
   17   HD21  LEU   2          3HD2      LEU   2  -3.919  -5.091  12.967
   18   HD22  LEU   2          1HD2      LEU   2  -4.023  -5.916  11.415
   19   HD23  LEU   2          2HD2      LEU   2  -4.800  -4.348  11.632
   20    H    TYR   3           H        TYR   3  -3.813  -2.137   8.567
   21    HA   TYR   3           HA       TYR   3  -4.260  -2.427   5.705
   22    HB2  TYR   3           1HB      TYR   3  -5.726  -0.975   7.047
   23    HB3  TYR   3           2HB      TYR   3  -4.340   0.017   7.496
   24    HD1  TYR   3           HD2      TYR   3  -6.128  -1.307   4.480
   25    HD2  TYR   3           HD1      TYR   3  -3.757   1.858   6.153
   26    HE1  TYR   3           HE2      TYR   3  -6.406   0.003   2.393
   27    HE2  TYR   3           HE1      TYR   3  -4.033   3.170   4.068
   28    HH   TYR   3           HH       TYR   3  -4.520   2.638   1.613
   29    H    GLU   4           H        GLU   4  -1.604  -2.990   6.678
   30    HA   GLU   4           HA       GLU   4   0.060  -0.715   5.951
   31    HB2  GLU   4           1HB      GLU   4   0.695  -3.562   6.752
   32    HB3  GLU   4           2HB      GLU   4   1.925  -2.360   6.350
   33    HG2  GLU   4           1HG      GLU   4   1.127  -0.899   8.137
   34    HG3  GLU   4           2HG      GLU   4  -0.177  -2.026   8.508
   35    H    ASN   5           H        ASN   5  -1.807  -2.314   4.073
   36    HA   ASN   5           HA       ASN   5   0.139  -3.155   2.023
   37    HB2  ASN   5           1HB      ASN   5  -1.744  -4.159   0.891
   38    HB3  ASN   5           2HB      ASN   5  -1.790  -4.646   2.585
   39   HD21  ASN   5          2HD2      ASN   5  -4.161  -4.691   1.016
   40   HD22  ASN   5          1HD2      ASN   5  -5.210  -3.480   1.576
   41    H    LYS   6           H        LYS   6  -0.574  -0.336   2.910
   42    HA   LYS   6           HA       LYS   6  -1.876   0.812   0.584
   43    HB2  LYS   6           1HB      LYS   6  -2.286   1.751   2.811
   44    HB3  LYS   6           2HB      LYS   6  -0.578   2.132   2.981
   45    HG2  LYS   6           1HG      LYS   6  -1.861   3.194   0.503
   46    HG3  LYS   6           2HG      LYS   6  -2.449   3.898   2.005
   47    HD2  LYS   6           1HD      LYS   6   0.520   3.646   1.528
   48    HD3  LYS   6           2HD      LYS   6  -0.381   4.985   0.820
   49    HE2  LYS   6           1HE      LYS   6  -0.985   5.852   2.927
   50    HE3  LYS   6           2HE      LYS   6  -0.636   4.336   3.755
   51    HZ1  LYS   6           3HZ      LYS   6   1.437   4.990   4.080
   52    HZ2  LYS   6           1HZ      LYS   6   1.067   6.495   3.390
   53    HZ3  LYS   6           2HZ      LYS   6   1.672   5.240   2.417
   54    HA   PRO   7           HA       PRO   7   2.530   2.266  -0.293
   55    HB2  PRO   7           1HB      PRO   7   4.661   1.114   0.897
   56    HB3  PRO   7           2HB      PRO   7   3.702   2.359   1.723
   57    HG2  PRO   7           1HG      PRO   7   3.726  -0.586   2.132
   58    HG3  PRO   7           2HG      PRO   7   3.456   0.714   3.305
   59    HD2  PRO   7           1HD      PRO   7   1.443  -0.838   2.027
   60    HD3  PRO   7           2HD      PRO   7   1.179   0.635   2.984
   61    H    ARG   8           H        ARG   8   1.281  -0.698  -0.437
   62    HA   ARG   8           HA       ARG   8   3.285  -1.958  -2.182
   63    HB2  ARG   8           1HB      ARG   8   1.964  -3.339  -0.536
   64    HB3  ARG   8           2HB      ARG   8   0.506  -2.900  -1.434
   65    HG2  ARG   8           1HG      ARG   8   1.404  -3.925  -3.463
   66    HG3  ARG   8           2HG      ARG   8   2.907  -4.313  -2.627
   67    HD2  ARG   8           1HD      ARG   8   0.189  -5.320  -1.751
   68    HD3  ARG   8           2HD      ARG   8   1.285  -6.238  -2.779
   69    HE   ARG   8           HE       ARG   8   2.705  -5.444  -0.487
   70   HH11  ARG   8          1HH2      ARG   8   0.033  -7.440  -1.415
   71   HH12  ARG   8          2HH2      ARG   8   0.271  -8.589  -0.141
   72   HH21  ARG   8          1HH1      ARG   8   3.020  -6.945   1.186
   73   HH22  ARG   8          2HH1      ARG   8   1.957  -8.304   1.338
   74    H    ARG   9           H        ARG   9   0.349  -0.224  -2.068
   75    HA   ARG   9           HA       ARG   9   0.115  -0.223  -5.018
   76    HB2  ARG   9           1HB      ARG   9  -2.107   0.159  -2.999
   77    HB3  ARG   9           2HB      ARG   9  -2.275   0.097  -4.753
   78    HG2  ARG   9           1HG      ARG   9  -1.380  -2.232  -4.721
   79    HG3  ARG   9           2HG      ARG   9  -1.342  -2.162  -2.958
   80    HD2  ARG   9           1HD      ARG   9  -3.739  -2.117  -4.785
   81    HD3  ARG   9           2HD      ARG   9  -3.409  -3.198  -3.434
   82    HE   ARG   9           HE       ARG   9  -4.550  -0.538  -3.281
   83   HH11  ARG   9          1HH2      ARG   9  -2.857  -3.086  -1.666
   84   HH12  ARG   9          2HH2      ARG   9  -3.321  -2.574  -0.077
   85   HH21  ARG   9          1HH1      ARG   9  -5.162   0.141  -1.201
   86   HH22  ARG   9          2HH1      ARG   9  -4.624  -0.746   0.186
   87    HA   PRO  10           HA       PRO  10   0.937   3.974  -3.124
   88    HB2  PRO  10           1HB      PRO  10   3.058   4.714  -4.698
   89    HB3  PRO  10           2HB      PRO  10   3.243   3.768  -3.206
   90    HG2  PRO  10           1HG      PRO  10   3.203   2.834  -6.044
   91    HG3  PRO  10           2HG      PRO  10   4.255   2.330  -4.708
   92    HD2  PRO  10           1HD      PRO  10   2.091   0.859  -5.510
   93    HD3  PRO  10           2HD      PRO  10   2.673   0.882  -3.828
   94    H    TYR  11           H        TYR  11   0.689   6.127  -4.196
   95    HA   TYR  11           HA       TYR  11  -1.325   6.182  -6.120
   96    HB2  TYR  11           1HB      TYR  11  -0.836   8.114  -4.717
   97    HB3  TYR  11           2HB      TYR  11   0.749   8.293  -5.470
   98    HD1  TYR  11           HD1      TYR  11  -2.915   8.311  -6.197
   99    HD2  TYR  11           HD2      TYR  11   1.003   9.508  -7.488
  100    HE1  TYR  11           HE1      TYR  11  -3.927   9.686  -7.995
  101    HE2  TYR  11           HE2      TYR  11  -0.009  10.884  -9.286
  102    HH   TYR  11           HH       TYR  11  -3.336  11.623  -9.379
  103    H    ILE  12           H        ILE  12   2.190   6.545  -6.515
  104    HA   ILE  12           HA       ILE  12   2.102   6.872  -9.341
  105    HB   ILE  12           HB       ILE  12   4.034   7.628  -8.082
  106   HG12  ILE  12          1HG1      ILE  12   4.861   5.263  -9.783
  107   HG13  ILE  12          2HG1      ILE  12   4.267   6.780 -10.459
  108   HG21  ILE  12          1HG2      ILE  12   4.303   4.701  -7.350
  109   HG22  ILE  12          2HG2      ILE  12   4.120   6.076  -6.262
  110   HG23  ILE  12          3HG2      ILE  12   5.616   5.863  -7.166
  111   HD11  ILE  12          3HD1      ILE  12   6.616   6.607  -8.554
  112   HD12  ILE  12          1HD1      ILE  12   6.091   8.016  -9.475
  113   HD13  ILE  12          2HD1      ILE  12   6.785   6.625 -10.310
  114    H    LEU  13           H        LEU  13   1.965   4.149  -7.231
  115    HA   LEU  13           HA       LEU  13   1.728   1.901  -7.578
  116    HB2  LEU  13           1HB      LEU  13   1.020   2.819 -10.370
  117    HB3  LEU  13           2HB      LEU  13   0.887   1.159  -9.815
  118    HG   LEU  13           HG       LEU  13  -0.492   3.480  -8.439
  119   HD11  LEU  13          1HD1      LEU  13  -1.481   1.606 -10.605
  120   HD12  LEU  13          2HD1      LEU  13  -1.381   3.366 -10.678
  121   HD13  LEU  13          3HD1      LEU  13  -2.549   2.593  -9.607
  122   HD21  LEU  13          3HD2      LEU  13  -0.460   1.679  -6.914
  123   HD22  LEU  13          1HD2      LEU  13  -0.575   0.466  -8.187
  124   HD23  LEU  13          2HD2      LEU  13  -1.987   1.423  -7.747
  Start of MODEL   29
    1    H1   GLU   1           1H       GLU   1   0.160  -5.833   9.239
    2    H2   GLU   1           2H       GLU   1   1.316  -5.602  10.464
    3    H3   GLU   1           3H       GLU   1   0.242  -4.350  10.059
    4    HA   GLU   1           HA       GLU   1  -0.429  -6.931  11.359
    5    HB2  GLU   1           1HB      GLU   1   0.556  -5.167  12.810
    6    HB3  GLU   1           2HB      GLU   1  -0.711  -4.055  12.286
    7    HG2  GLU   1           1HG      GLU   1  -2.430  -5.550  13.200
    8    HG3  GLU   1           2HG      GLU   1  -1.189  -6.705  13.681
    9    H    LEU   2           H        LEU   2  -1.621  -3.877   9.979
   10    HA   LEU   2           HA       LEU   2  -4.364  -4.996   9.856
   11    HB2  LEU   2           1HB      LEU   2  -3.425  -2.149   9.405
   12    HB3  LEU   2           2HB      LEU   2  -5.095  -2.702   9.495
   13    HG   LEU   2           HG       LEU   2  -3.070  -2.894  11.746
   14   HD11  LEU   2          1HD1      LEU   2  -5.341  -0.984  11.165
   15   HD12  LEU   2          2HD1      LEU   2  -3.653  -0.596  11.493
   16   HD13  LEU   2          3HD1      LEU   2  -4.686  -1.200  12.788
   17   HD21  LEU   2          3HD2      LEU   2  -5.335  -3.324  13.013
   18   HD22  LEU   2          1HD2      LEU   2  -4.584  -4.652  12.135
   19   HD23  LEU   2          2HD2      LEU   2  -5.939  -3.779  11.421
   20    H    TYR   3           H        TYR   3  -4.780  -2.819   7.725
   21    HA   TYR   3           HA       TYR   3  -4.146  -4.559   5.468
   22    HB2  TYR   3           1HB      TYR   3  -5.605  -3.186   4.176
   23    HB3  TYR   3           2HB      TYR   3  -6.386  -3.392   5.739
   24    HD1  TYR   3           HD2      TYR   3  -6.035  -1.537   7.510
   25    HD2  TYR   3           HD1      TYR   3  -5.164  -1.031   3.334
   26    HE1  TYR   3           HE2      TYR   3  -6.110   0.928   7.789
   27    HE2  TYR   3           HE1      TYR   3  -5.235   1.426   3.611
   28    HH   TYR   3           HH       TYR   3  -6.042   3.088   5.052
   29    H    GLU   4           H        GLU   4  -1.847  -4.278   5.884
   30    HA   GLU   4           HA       GLU   4  -0.650  -1.700   5.306
   31    HB2  GLU   4           1HB      GLU   4   1.490  -2.983   5.569
   32    HB3  GLU   4           2HB      GLU   4   0.417  -3.085   6.971
   33    HG2  GLU   4           1HG      GLU   4  -0.386  -5.265   6.260
   34    HG3  GLU   4           2HG      GLU   4   0.550  -5.165   4.768
   35    H    ASN   5           H        ASN   5  -2.293  -2.721   3.252
   36    HA   ASN   5           HA       ASN   5  -0.445  -3.602   1.134
   37    HB2  ASN   5           1HB      ASN   5  -3.460  -3.435   1.300
   38    HB3  ASN   5           2HB      ASN   5  -2.590  -3.831  -0.182
   39   HD21  ASN   5          2HD2      ASN   5  -4.365  -5.712   1.070
   40   HD22  ASN   5          1HD2      ASN   5  -3.435  -7.010   1.645
   41    H    LYS   6           H        LYS   6  -0.708  -0.820   2.391
   42    HA   LYS   6           HA       LYS   6  -1.731   0.820   0.237
   43    HB2  LYS   6           1HB      LYS   6  -0.194   1.573   2.733
   44    HB3  LYS   6           2HB      LYS   6  -0.960   2.705   1.622
   45    HG2  LYS   6           1HG      LYS   6  -3.139   1.960   2.177
   46    HG3  LYS   6           2HG      LYS   6  -2.533   0.485   2.930
   47    HD2  LYS   6           1HD      LYS   6  -3.255   2.226   4.591
   48    HD3  LYS   6           2HD      LYS   6  -1.566   1.751   4.765
   49    HE2  LYS   6           1HE      LYS   6  -0.789   3.739   3.717
   50    HE3  LYS   6           2HE      LYS   6  -2.393   4.130   3.094
   51    HZ1  LYS   6           3HZ      LYS   6  -2.324   3.831   5.947
   52    HZ2  LYS   6           1HZ      LYS   6  -2.973   5.084   5.006
   53    HZ3  LYS   6           2HZ      LYS   6  -1.319   5.083   5.392
   54    HA   PRO   7           HA       PRO   7   2.871   1.572  -0.526
   55    HB2  PRO   7           1HB      PRO   7   4.753  -0.123   0.416
   56    HB3  PRO   7           2HB      PRO   7   4.047   1.145   1.441
   57    HG2  PRO   7           1HG      PRO   7   3.510  -1.781   1.414
   58    HG3  PRO   7           2HG      PRO   7   3.504  -0.645   2.774
   59    HD2  PRO   7           1HD      PRO   7   1.222  -1.578   1.365
   60    HD3  PRO   7           2HD      PRO   7   1.253  -0.227   2.517
   61    H    ARG   8           H        ARG   8   1.157  -1.153  -1.016
   62    HA   ARG   8           HA       ARG   8   2.893  -2.380  -3.050
   63    HB2  ARG   8           1HB      ARG   8   1.460  -3.804  -1.528
   64    HB3  ARG   8           2HB      ARG   8   0.044  -3.065  -2.284
   65    HG2  ARG   8           1HG      ARG   8   0.777  -3.879  -4.487
   66    HG3  ARG   8           2HG      ARG   8   2.199  -4.616  -3.750
   67    HD2  ARG   8           1HD      ARG   8   0.489  -6.322  -4.044
   68    HD3  ARG   8           2HD      ARG   8   0.695  -6.004  -2.325
   69    HE   ARG   8           HE       ARG   8  -1.360  -4.345  -3.358
   70   HH11  ARG   8          1HH2      ARG   8  -0.612  -7.639  -2.605
   71   HH12  ARG   8          2HH2      ARG   8  -2.252  -8.076  -2.255
   72   HH21  ARG   8          1HH1      ARG   8  -3.512  -4.910  -2.900
   73   HH22  ARG   8          2HH1      ARG   8  -3.894  -6.531  -2.423
   74    H    ARG   9           H        ARG   9   0.234  -0.321  -2.500
   75    HA   ARG   9           HA       ARG   9  -0.150   0.146  -5.396
   76    HB2  ARG   9           1HB      ARG   9  -2.206   0.547  -3.218
   77    HB3  ARG   9           2HB      ARG   9  -2.460   0.651  -4.960
   78    HG2  ARG   9           1HG      ARG   9  -1.949  -1.732  -5.205
   79    HG3  ARG   9           2HG      ARG   9  -1.618  -1.855  -3.477
   80    HD2  ARG   9           1HD      ARG   9  -3.872  -2.645  -3.864
   81    HD3  ARG   9           2HD      ARG   9  -3.967  -1.094  -3.035
   82    HE   ARG   9           HE       ARG   9  -4.053  -0.554  -5.771
   83   HH11  ARG   9          1HH2      ARG   9  -5.874  -2.263  -3.374
   84   HH12  ARG   9          2HH2      ARG   9  -7.397  -2.026  -4.165
   85   HH21  ARG   9          1HH1      ARG   9  -6.047  -0.238  -6.811
   86   HH22  ARG   9          2HH1      ARG   9  -7.495  -0.879  -6.110
   87    HA   PRO  10           HA       PRO  10   1.331   3.870  -2.975
   88    HB2  PRO  10           1HB      PRO  10   3.430   4.578  -4.599
   89    HB3  PRO  10           2HB      PRO  10   3.582   3.402  -3.277
   90    HG2  PRO  10           1HG      PRO  10   3.216   2.914  -6.203
   91    HG3  PRO  10           2HG      PRO  10   4.300   2.104  -5.057
   92    HD2  PRO  10           1HD      PRO  10   1.933   1.003  -5.833
   93    HD3  PRO  10           2HD      PRO  10   2.609   0.750  -4.205
   94    H    TYR  11           H        TYR  11   1.281   6.174  -3.693
   95    HA   TYR  11           HA       TYR  11  -0.820   6.764  -5.418
   96    HB2  TYR  11           1HB      TYR  11   1.560   8.500  -4.709
   97    HB3  TYR  11           2HB      TYR  11   0.062   9.080  -5.435
   98    HD1  TYR  11           HD1      TYR  11  -2.112   8.806  -4.183
   99    HD2  TYR  11           HD2      TYR  11   1.708   8.056  -2.367
  100    HE1  TYR  11           HE1      TYR  11  -3.150   8.959  -1.937
  101    HE2  TYR  11           HE2      TYR  11   0.669   8.209  -0.119
  102    HH   TYR  11           HH       TYR  11  -2.791   8.366   0.297
  103    H    ILE  12           H        ILE  12   2.667   6.691  -6.055
  104    HA   ILE  12           HA       ILE  12   2.466   7.440  -8.801
  105    HB   ILE  12           HB       ILE  12   4.673   5.878  -7.448
  106   HG12  ILE  12          1HG1      ILE  12   4.260   7.915  -6.180
  107   HG13  ILE  12          2HG1      ILE  12   5.731   8.123  -7.127
  108   HG21  ILE  12          1HG2      ILE  12   6.050   7.028  -9.223
  109   HG22  ILE  12          2HG2      ILE  12   4.539   7.568  -9.955
  110   HG23  ILE  12          3HG2      ILE  12   4.898   5.844  -9.846
  111   HD11  ILE  12          3HD1      ILE  12   4.590  10.133  -7.520
  112   HD12  ILE  12          1HD1      ILE  12   3.015   9.348  -7.558
  113   HD13  ILE  12          2HD1      ILE  12   4.122   9.173  -8.920
  114    H    LEU  13           H        LEU  13   2.029   4.502  -7.056
  115    HA   LEU  13           HA       LEU  13   1.485   2.366  -7.677
  116    HB2  LEU  13           1HB      LEU  13   0.754   3.742 -10.270
  117    HB3  LEU  13           2HB      LEU  13   0.391   2.064  -9.895
  118    HG   LEU  13           HG       LEU  13  -0.510   4.374  -8.155
  119   HD11  LEU  13          1HD1      LEU  13  -2.685   4.197  -9.254
  120   HD12  LEU  13          2HD1      LEU  13  -2.078   2.915 -10.303
  121   HD13  LEU  13          3HD1      LEU  13  -1.443   4.554 -10.456
  122   HD21  LEU  13          3HD2      LEU  13  -0.670   2.388  -6.877
  123   HD22  LEU  13          1HD2      LEU  13  -1.099   1.408  -8.278
  124   HD23  LEU  13          2HD2      LEU  13  -2.275   2.520  -7.583
  Start of MODEL   30
    1    H1   GLU   1           1H       GLU   1  -1.578  -9.115   9.495
    2    H2   GLU   1           2H       GLU   1  -0.713  -7.921   8.652
    3    H3   GLU   1           3H       GLU   1  -2.368  -8.151   8.347
    4    HA   GLU   1           HA       GLU   1  -2.252  -7.698  11.041
    5    HB2  GLU   1           1HB      GLU   1  -0.393  -5.855   9.507
    6    HB3  GLU   1           2HB      GLU   1  -1.023  -5.514  11.117
    7    HG2  GLU   1           1HG      GLU   1   0.573  -7.991  10.415
    8    HG3  GLU   1           2HG      GLU   1   1.264  -6.539  11.137
    9    H    LEU   2           H        LEU   2  -1.986  -4.664   9.767
   10    HA   LEU   2           HA       LEU   2  -4.891  -4.486   9.256
   11    HB2  LEU   2           1HB      LEU   2  -2.857  -2.296   9.759
   12    HB3  LEU   2           2HB      LEU   2  -4.608  -2.101   9.688
   13    HG   LEU   2           HG       LEU   2  -3.162  -3.849  11.703
   14   HD11  LEU   2          1HD1      LEU   2  -3.939  -1.998  13.291
   15   HD12  LEU   2          2HD1      LEU   2  -4.242  -1.025  11.851
   16   HD13  LEU   2          3HD1      LEU   2  -2.606  -1.578  12.212
   17   HD21  LEU   2          3HD2      LEU   2  -6.053  -3.083  11.238
   18   HD22  LEU   2          1HD2      LEU   2  -5.492  -3.558  12.839
   19   HD23  LEU   2          2HD2      LEU   2  -5.370  -4.689  11.495
   20    H    TYR   3           H        TYR   3  -4.206  -1.801   7.985
   21    HA   TYR   3           HA       TYR   3  -4.053  -2.802   5.251
   22    HB2  TYR   3           1HB      TYR   3  -5.553  -0.848   6.319
   23    HB3  TYR   3           2HB      TYR   3  -4.163   0.136   5.878
   24    HD1  TYR   3           HD1      TYR   3  -3.174  -0.659   3.405
   25    HD2  TYR   3           HD2      TYR   3  -7.262  -0.859   4.718
   26    HE1  TYR   3           HE1      TYR   3  -3.935  -0.625   1.047
   27    HE2  TYR   3           HE2      TYR   3  -8.020  -0.828   2.358
   28    HH   TYR   3           HH       TYR   3  -6.151   0.116  -0.158
   29    H    GLU   4           H        GLU   4  -1.775  -3.527   6.038
   30    HA   GLU   4           HA       GLU   4   0.250  -1.436   5.921
   31    HB2  GLU   4           1HB      GLU   4   1.833  -3.268   6.329
   32    HB3  GLU   4           2HB      GLU   4   0.517  -3.299   7.505
   33    HG2  GLU   4           1HG      GLU   4  -0.634  -5.026   6.152
   34    HG3  GLU   4           2HG      GLU   4   0.708  -5.017   5.009
   35    H    ASN   5           H        ASN   5  -1.539  -3.077   3.704
   36    HA   ASN   5           HA       ASN   5   0.576  -3.433   1.703
   37    HB2  ASN   5           1HB      ASN   5  -2.394  -4.004   1.713
   38    HB3  ASN   5           2HB      ASN   5  -1.371  -4.230   0.294
   39   HD21  ASN   5          2HD2      ASN   5  -2.778  -6.352   1.855
   40   HD22  ASN   5          1HD2      ASN   5  -1.563  -7.389   2.431
   41    H    LYS   6           H        LYS   6   0.009  -0.807   2.726
   42    HA   LYS   6           HA       LYS   6  -1.476   0.622   0.688
   43    HB2  LYS   6           1HB      LYS   6  -0.850   1.060   3.382
   44    HB3  LYS   6           2HB      LYS   6   0.138   2.247   2.546
   45    HG2  LYS   6           1HG      LYS   6  -2.825   1.916   1.971
   46    HG3  LYS   6           2HG      LYS   6  -2.223   2.983   3.232
   47    HD2  LYS   6           1HD      LYS   6  -1.033   3.229   0.481
   48    HD3  LYS   6           2HD      LYS   6  -2.637   3.898   0.764
   49    HE2  LYS   6           1HE      LYS   6  -1.852   5.427   2.378
   50    HE3  LYS   6           2HE      LYS   6  -0.357   4.526   2.636
   51    HZ1  LYS   6           3HZ      LYS   6  -1.007   6.477   0.609
   52    HZ2  LYS   6           1HZ      LYS   6  -0.224   5.094   0.017
   53    HZ3  LYS   6           2HZ      LYS   6   0.505   6.022   1.239
   54    HA   PRO   7           HA       PRO   7   2.892   2.044  -0.462
   55    HB2  PRO   7           1HB      PRO   7   5.082   0.825   0.585
   56    HB3  PRO   7           2HB      PRO   7   4.202   2.097   1.455
   57    HG2  PRO   7           1HG      PRO   7   4.207  -0.836   1.903
   58    HG3  PRO   7           2HG      PRO   7   3.972   0.483   3.061
   59    HD2  PRO   7           1HD      PRO   7   1.931  -1.097   1.851
   60    HD3  PRO   7           2HD      PRO   7   1.689   0.365   2.831
   61    H    ARG   8           H        ARG   8   1.649  -0.933  -0.686
   62    HA   ARG   8           HA       ARG   8   3.611  -2.051  -2.575
   63    HB2  ARG   8           1HB      ARG   8   0.942  -3.107  -1.589
   64    HB3  ARG   8           2HB      ARG   8   2.012  -3.951  -2.708
   65    HG2  ARG   8           1HG      ARG   8   3.789  -3.994  -1.011
   66    HG3  ARG   8           2HG      ARG   8   2.756  -3.104   0.109
   67    HD2  ARG   8           1HD      ARG   8   2.641  -5.479   0.645
   68    HD3  ARG   8           2HD      ARG   8   1.093  -4.955  -0.011
   69    HE   ARG   8           HE       ARG   8   1.489  -6.254  -1.918
   70   HH11  ARG   8          1HH2      ARG   8   4.300  -6.021   0.093
   71   HH12  ARG   8          2HH2      ARG   8   5.146  -7.301  -0.709
   72   HH21  ARG   8          1HH1      ARG   8   2.608  -7.922  -2.985
   73   HH22  ARG   8          2HH1      ARG   8   4.194  -8.369  -2.453
   74    H    ARG   9           H        ARG   9   0.632  -0.428  -2.247
   75    HA   ARG   9           HA       ARG   9   0.290  -0.220  -5.184
   76    HB2  ARG   9           1HB      ARG   9  -1.789  -0.316  -2.985
   77    HB3  ARG   9           2HB      ARG   9  -2.143   0.174  -4.642
   78    HG2  ARG   9           1HG      ARG   9  -1.370  -2.000  -5.476
   79    HG3  ARG   9           2HG      ARG   9  -0.949  -2.495  -3.836
   80    HD2  ARG   9           1HD      ARG   9  -3.342  -2.185  -3.180
   81    HD3  ARG   9           2HD      ARG   9  -3.720  -1.829  -4.864
   82    HE   ARG   9           HE       ARG   9  -2.345  -4.319  -4.644
   83   HH11  ARG   9          1HH2      ARG   9  -5.391  -2.751  -4.128
   84   HH12  ARG   9          2HH2      ARG   9  -6.325  -4.192  -4.351
   85   HH21  ARG   9          1HH1      ARG   9  -3.571  -6.205  -4.961
   86   HH22  ARG   9          2HH1      ARG   9  -5.295  -6.145  -4.818
   87    HA   PRO  10           HA       PRO  10   1.064   3.841  -3.101
   88    HB2  PRO  10           1HB      PRO  10   3.047   4.778  -4.717
   89    HB3  PRO  10           2HB      PRO  10   3.363   3.644  -3.387
   90    HG2  PRO  10           1HG      PRO  10   3.101   3.100  -6.314
   91    HG3  PRO  10           2HG      PRO  10   4.252   2.432  -5.141
   92    HD2  PRO  10           1HD      PRO  10   1.982   1.101  -5.983
   93    HD3  PRO  10           2HD      PRO  10   2.767   0.815  -4.411
   94    H    TYR  11           H        TYR  11   0.545   6.016  -3.882
   95    HA   TYR  11           HA       TYR  11  -1.555   6.137  -5.702
   96    HB2  TYR  11           1HB      TYR  11  -0.998   7.910  -4.028
   97    HB3  TYR  11           2HB      TYR  11   0.356   8.396  -5.051
   98    HD1  TYR  11           HD1      TYR  11  -3.338   7.846  -5.099
   99    HD2  TYR  11           HD2      TYR  11   0.001   9.897  -6.860
  100    HE1  TYR  11           HE1      TYR  11  -4.894   9.201  -6.468
  101    HE2  TYR  11           HE2      TYR  11  -1.559  11.255  -8.230
  102    HH   TYR  11           HH       TYR  11  -4.891  10.484  -8.518
  103    H    ILE  12           H        ILE  12   1.915   6.660  -6.193
  104    HA   ILE  12           HA       ILE  12   1.755   7.472  -8.903
  105    HB   ILE  12           HB       ILE  12   4.012   5.970  -7.557
  106   HG12  ILE  12          1HG1      ILE  12   3.433   7.924  -6.217
  107   HG13  ILE  12          2HG1      ILE  12   4.930   8.244  -7.088
  108   HG21  ILE  12          1HG2      ILE  12   5.377   7.257  -9.233
  109   HG22  ILE  12          2HG2      ILE  12   3.866   7.780  -9.979
  110   HG23  ILE  12          3HG2      ILE  12   4.291   6.070  -9.955
  111   HD11  ILE  12          3HD1      ILE  12   2.193   9.395  -7.528
  112   HD12  ILE  12          1HD1      ILE  12   3.286   9.275  -8.904
  113   HD13  ILE  12          2HD1      ILE  12   3.752  10.215  -7.489
  114    H    LEU  13           H        LEU  13   2.212   4.330  -7.340
  115    HA   LEU  13           HA       LEU  13   1.699   2.211  -8.030
  116    HB2  LEU  13           1HB      LEU  13  -0.219   3.516  -9.232
  117    HB3  LEU  13           2HB      LEU  13   0.727   3.227 -10.686
  118    HG   LEU  13           HG       LEU  13  -0.898   1.451 -10.462
  119   HD11  LEU  13          1HD1      LEU  13   1.530   0.948 -11.141
  120   HD12  LEU  13          2HD1      LEU  13   0.521  -0.419 -10.676
  121   HD13  LEU  13          3HD1      LEU  13   1.699   0.231  -9.537
  122   HD21  LEU  13          3HD2      LEU  13   0.242   0.426  -7.885
  123   HD22  LEU  13          1HD2      LEU  13  -1.390   0.293  -8.532
  124   HD23  LEU  13          2HD2      LEU  13  -0.858   1.800  -7.795
  Start of MODEL   31
    1    H1   GLU   1           1H       GLU   1  -1.863  -7.714   9.148
    2    H2   GLU   1           2H       GLU   1  -0.953  -6.319   9.482
    3    H3   GLU   1           3H       GLU   1  -0.186  -7.718   8.897
    4    HA   GLU   1           HA       GLU   1  -0.444  -6.019   7.167
    5    HB2  GLU   1           1HB      GLU   1  -2.029  -8.587   6.871
    6    HB3  GLU   1           2HB      GLU   1  -1.570  -7.552   5.520
    7    HG2  GLU   1           1HG      GLU   1   0.798  -7.847   6.054
    8    HG3  GLU   1           2HG      GLU   1   0.378  -8.808   7.471
    9    H    LEU   2           H        LEU   2  -1.987  -4.672   8.836
   10    HA   LEU   2           HA       LEU   2  -4.782  -4.713   8.041
   11    HB2  LEU   2           1HB      LEU   2  -3.211  -2.848   9.836
   12    HB3  LEU   2           2HB      LEU   2  -4.953  -2.763   9.589
   13    HG   LEU   2           HG       LEU   2  -3.516  -5.236  10.601
   14   HD11  LEU   2          1HD1      LEU   2  -4.823  -2.941  12.072
   15   HD12  LEU   2          2HD1      LEU   2  -3.195  -3.586  12.290
   16   HD13  LEU   2          3HD1      LEU   2  -4.593  -4.524  12.814
   17   HD21  LEU   2          3HD2      LEU   2  -5.597  -5.968   9.787
   18   HD22  LEU   2          1HD2      LEU   2  -6.407  -4.455  10.197
   19   HD23  LEU   2          2HD2      LEU   2  -5.983  -5.604  11.464
   20    H    TYR   3           H        TYR   3  -3.020  -1.717   8.439
   21    HA   TYR   3           HA       TYR   3  -4.007  -0.800   5.832
   22    HB2  TYR   3           1HB      TYR   3  -4.358   0.623   7.821
   23    HB3  TYR   3           2HB      TYR   3  -2.613   0.721   8.050
   24    HD1  TYR   3           HD2      TYR   3  -5.370   1.502   5.673
   25    HD2  TYR   3           HD1      TYR   3  -1.284   2.236   6.775
   26    HE1  TYR   3           HE2      TYR   3  -5.264   3.364   4.040
   27    HE2  TYR   3           HE1      TYR   3  -1.178   4.097   5.141
   28    HH   TYR   3           HH       TYR   3  -2.911   4.523   2.725
   29    H    GLU   4           H        GLU   4  -1.407  -2.476   6.759
   30    HA   GLU   4           HA       GLU   4   0.666  -0.918   5.432
   31    HB2  GLU   4           1HB      GLU   4   0.651  -3.662   6.697
   32    HB3  GLU   4           2HB      GLU   4   2.070  -2.939   5.934
   33    HG2  GLU   4           1HG      GLU   4   1.963  -1.038   7.462
   34    HG3  GLU   4           2HG      GLU   4   0.496  -1.682   8.195
   35    H    ASN   5           H        ASN   5  -1.819  -2.170   4.079
   36    HA   ASN   5           HA       ASN   5  -0.478  -3.862   2.070
   37    HB2  ASN   5           1HB      ASN   5  -3.398  -3.265   2.592
   38    HB3  ASN   5           2HB      ASN   5  -2.808  -4.274   1.273
   39   HD21  ASN   5          2HD2      ASN   5  -0.572  -5.353   3.048
   40   HD22  ASN   5          1HD2      ASN   5  -1.344  -6.462   4.074
   41    H    LYS   6           H        LYS   6  -0.882  -0.648   2.539
   42    HA   LYS   6           HA       LYS   6  -1.715  -0.008  -0.207
   43    HB2  LYS   6           1HB      LYS   6  -0.848   2.039   1.822
   44    HB3  LYS   6           2HB      LYS   6  -1.963   2.212   0.472
   45    HG2  LYS   6           1HG      LYS   6  -2.439   0.650   3.022
   46    HG3  LYS   6           2HG      LYS   6  -3.263   2.122   2.508
   47    HD2  LYS   6           1HD      LYS   6  -3.959   0.772   0.413
   48    HD3  LYS   6           2HD      LYS   6  -3.477  -0.652   1.335
   49    HE2  LYS   6           1HE      LYS   6  -5.036  -0.015   3.141
   50    HE3  LYS   6           2HE      LYS   6  -5.517   1.411   2.220
   51    HZ1  LYS   6           3HZ      LYS   6  -5.775  -1.373   1.222
   52    HZ2  LYS   6           1HZ      LYS   6  -6.380   0.034   0.495
   53    HZ3  LYS   6           2HZ      LYS   6  -7.035  -0.509   1.965
   54    HA   PRO   7           HA       PRO   7   2.864   1.612   0.002
   55    HB2  PRO   7           1HB      PRO   7   4.110  -0.533   1.657
   56    HB3  PRO   7           2HB      PRO   7   4.377   1.222   1.710
   57    HG2  PRO   7           1HG      PRO   7   3.020  -0.032   3.635
   58    HG3  PRO   7           2HG      PRO   7   2.553   1.588   3.084
   59    HD2  PRO   7           1HD      PRO   7   1.308  -1.063   2.387
   60    HD3  PRO   7           2HD      PRO   7   0.520   0.479   2.780
   61    H    ARG   8           H        ARG   8   1.530  -1.449  -0.320
   62    HA   ARG   8           HA       ARG   8   3.631  -2.529  -2.064
   63    HB2  ARG   8           1HB      ARG   8   0.916  -3.610  -1.255
   64    HB3  ARG   8           2HB      ARG   8   2.061  -4.452  -2.298
   65    HG2  ARG   8           1HG      ARG   8   3.733  -4.459  -0.501
   66    HG3  ARG   8           2HG      ARG   8   2.631  -3.567   0.547
   67    HD2  ARG   8           1HD      ARG   8   2.520  -5.931   1.112
   68    HD3  ARG   8           2HD      ARG   8   1.000  -5.443   0.367
   69    HE   ARG   8           HE       ARG   8   2.756  -6.416  -1.631
   70   HH11  ARG   8          1HH2      ARG   8   0.871  -7.440   1.084
   71   HH12  ARG   8          2HH2      ARG   8   0.599  -9.037   0.468
   72   HH21  ARG   8          1HH1      ARG   8   2.398  -8.500  -2.449
   73   HH22  ARG   8          2HH1      ARG   8   1.464  -9.637  -1.534
   74    H    ARG   9           H        ARG   9   0.700  -0.826  -2.021
   75    HA   ARG   9           HA       ARG   9   0.593  -0.746  -4.981
   76    HB2  ARG   9           1HB      ARG   9  -1.367  -1.950  -3.921
   77    HB3  ARG   9           2HB      ARG   9  -1.769  -0.437  -3.108
   78    HG2  ARG   9           1HG      ARG   9  -2.050   0.698  -5.235
   79    HG3  ARG   9           2HG      ARG   9  -1.483  -0.724  -6.112
   80    HD2  ARG   9           1HD      ARG   9  -3.415  -2.003  -5.104
   81    HD3  ARG   9           2HD      ARG   9  -4.020  -0.471  -4.480
   82    HE   ARG   9           HE       ARG   9  -4.614   0.151  -6.661
   83   HH11  ARG   9          1HH2      ARG   9  -2.741  -2.760  -6.601
   84   HH12  ARG   9          2HH2      ARG   9  -3.048  -3.153  -8.260
   85   HH21  ARG   9          1HH1      ARG   9  -5.019  -0.359  -8.836
   86   HH22  ARG   9          2HH1      ARG   9  -4.339  -1.796  -9.524
   87    HA   PRO  10           HA       PRO  10   1.530   3.321  -2.997
   88    HB2  PRO  10           1HB      PRO  10   3.037   3.804  -5.524
   89    HB3  PRO  10           2HB      PRO  10   3.586   3.954  -3.843
   90    HG2  PRO  10           1HG      PRO  10   4.402   1.946  -5.424
   91    HG3  PRO  10           2HG      PRO  10   4.133   1.721  -3.684
   92    HD2  PRO  10           1HD      PRO  10   2.354   0.935  -5.983
   93    HD3  PRO  10           2HD      PRO  10   2.733   0.047  -4.494
   94    H    TYR  11           H        TYR  11   0.579   5.370  -3.466
   95    HA   TYR  11           HA       TYR  11  -1.708   5.429  -5.057
   96    HB2  TYR  11           1HB      TYR  11   0.063   7.669  -4.061
   97    HB3  TYR  11           2HB      TYR  11  -1.463   7.952  -4.899
   98    HD1  TYR  11           HD2      TYR  11  -3.606   7.132  -3.918
   99    HD2  TYR  11           HD1      TYR  11   0.117   6.884  -1.789
  100    HE1  TYR  11           HE2      TYR  11  -4.841   6.767  -1.799
  101    HE2  TYR  11           HE1      TYR  11  -1.119   6.519   0.329
  102    HH   TYR  11           HH       TYR  11  -4.623   6.094   0.363
  103    H    ILE  12           H        ILE  12   1.564   6.640  -5.781
  104    HA   ILE  12           HA       ILE  12   0.932   7.502  -8.427
  105    HB   ILE  12           HB       ILE  12   2.901   8.301  -7.091
  106   HG12  ILE  12          1HG1      ILE  12   3.717   7.027  -9.716
  107   HG13  ILE  12          2HG1      ILE  12   2.697   8.462  -9.623
  108   HG21  ILE  12          1HG2      ILE  12   3.493   5.970  -6.286
  109   HG22  ILE  12          2HG2      ILE  12   4.853   6.920  -6.880
  110   HG23  ILE  12          3HG2      ILE  12   4.148   5.661  -7.893
  111   HD11  ILE  12          3HD1      ILE  12   5.432   8.252  -8.338
  112   HD12  ILE  12          1HD1      ILE  12   4.432   9.698  -8.472
  113   HD13  ILE  12          2HD1      ILE  12   5.140   8.980  -9.918
  114    H    LEU  13           H        LEU  13   2.213   4.551  -7.014
  115    HA   LEU  13           HA       LEU  13   2.100   2.388  -7.776
  116    HB2  LEU  13           1HB      LEU  13   0.124   3.332  -9.206
  117    HB3  LEU  13           2HB      LEU  13   1.282   3.262 -10.532
  118    HG   LEU  13           HG       LEU  13   0.526   0.937  -8.738
  119   HD11  LEU  13          1HD1      LEU  13  -1.283   1.609 -10.273
  120   HD12  LEU  13          2HD1      LEU  13  -0.592   0.061 -10.755
  121   HD13  LEU  13          3HD1      LEU  13  -0.163   1.530 -11.632
  122   HD21  LEU  13          3HD2      LEU  13   2.728   0.492  -9.447
  123   HD22  LEU  13          1HD2      LEU  13   2.487   1.274 -11.011
  124   HD23  LEU  13          2HD2      LEU  13   1.758  -0.299 -10.686
  Start of MODEL   32
    1    H1   GLU   1           1H       GLU   1  -1.507  -7.822   9.020
    2    H2   GLU   1           2H       GLU   1  -0.787  -6.298   9.231
    3    H3   GLU   1           3H       GLU   1   0.134  -7.603   8.654
    4    HA   GLU   1           HA       GLU   1  -0.415  -6.123   6.844
    5    HB2  GLU   1           1HB      GLU   1  -1.870  -8.783   6.864
    6    HB3  GLU   1           2HB      GLU   1  -1.615  -7.815   5.411
    7    HG2  GLU   1           1HG      GLU   1   0.806  -7.945   5.703
    8    HG3  GLU   1           2HG      GLU   1   0.600  -8.824   7.219
    9    H    LEU   2           H        LEU   2  -2.005  -4.992   8.826
   10    HA   LEU   2           HA       LEU   2  -4.791  -5.097   8.004
   11    HB2  LEU   2           1HB      LEU   2  -3.404  -3.237   9.950
   12    HB3  LEU   2           2HB      LEU   2  -5.145  -3.451   9.772
   13    HG   LEU   2           HG       LEU   2  -3.203  -5.645  10.568
   14   HD11  LEU   2          1HD1      LEU   2  -5.151  -3.995  12.210
   15   HD12  LEU   2          2HD1      LEU   2  -3.394  -3.972  12.337
   16   HD13  LEU   2          3HD1      LEU   2  -4.292  -5.416  12.803
   17   HD21  LEU   2          3HD2      LEU   2  -5.518  -6.668  11.287
   18   HD22  LEU   2          1HD2      LEU   2  -5.039  -6.749   9.594
   19   HD23  LEU   2          2HD2      LEU   2  -6.188  -5.522  10.128
   20    H    TYR   3           H        TYR   3  -2.803  -2.220   8.569
   21    HA   TYR   3           HA       TYR   3  -3.941  -0.994   6.130
   22    HB2  TYR   3           1HB      TYR   3  -4.290   0.251   8.216
   23    HB3  TYR   3           2HB      TYR   3  -2.550   0.264   8.510
   24    HD1  TYR   3           HD1      TYR   3  -5.167   1.333   6.071
   25    HD2  TYR   3           HD2      TYR   3  -1.163   1.910   7.516
   26    HE1  TYR   3           HE1      TYR   3  -4.944   3.351   4.647
   27    HE2  TYR   3           HE2      TYR   3  -0.940   3.929   6.093
   28    HH   TYR   3           HH       TYR   3  -2.232   4.675   3.749
   29    H    GLU   4           H        GLU   4  -1.387  -2.798   6.817
   30    HA   GLU   4           HA       GLU   4   0.731  -1.146   5.701
   31    HB2  GLU   4           1HB      GLU   4   0.618  -4.034   6.584
   32    HB3  GLU   4           2HB      GLU   4   2.064  -3.271   5.918
   33    HG2  GLU   4           1HG      GLU   4   2.038  -1.596   7.693
   34    HG3  GLU   4           2HG      GLU   4   0.540  -2.267   8.337
   35    H    ASN   5           H        ASN   5  -1.798  -2.127   4.218
   36    HA   ASN   5           HA       ASN   5  -0.501  -3.497   1.943
   37    HB2  ASN   5           1HB      ASN   5  -2.772  -3.964   1.178
   38    HB3  ASN   5           2HB      ASN   5  -2.575  -4.506   2.843
   39   HD21  ASN   5          2HD2      ASN   5  -5.095  -4.243   2.678
   40   HD22  ASN   5          1HD2      ASN   5  -5.713  -2.717   3.088
   41    H    LYS   6           H        LYS   6  -0.706  -0.483   2.911
   42    HA   LYS   6           HA       LYS   6  -1.847   0.749   0.530
   43    HB2  LYS   6           1HB      LYS   6  -2.327   1.891   2.550
   44    HB3  LYS   6           2HB      LYS   6  -0.651   1.856   3.074
   45    HG2  LYS   6           1HG      LYS   6  -1.122   3.207   0.450
   46    HG3  LYS   6           2HG      LYS   6  -1.824   4.018   1.844
   47    HD2  LYS   6           1HD      LYS   6   0.360   4.037   2.969
   48    HD3  LYS   6           2HD      LYS   6   1.087   3.186   1.608
   49    HE2  LYS   6           1HE      LYS   6  -0.290   5.876   1.387
   50    HE3  LYS   6           2HE      LYS   6   1.454   5.664   1.536
   51    HZ1  LYS   6           3HZ      LYS   6  -0.294   5.130  -0.723
   52    HZ2  LYS   6           1HZ      LYS   6   0.944   4.000  -0.459
   53    HZ3  LYS   6           2HZ      LYS   6   1.327   5.639  -0.698
   54    HA   PRO   7           HA       PRO   7   2.706   1.724  -0.227
   55    HB2  PRO   7           1HB      PRO   7   4.677   0.455   1.105
   56    HB3  PRO   7           2HB      PRO   7   3.785   1.803   1.841
   57    HG2  PRO   7           1HG      PRO   7   3.540  -1.119   2.343
   58    HG3  PRO   7           2HG      PRO   7   3.342   0.239   3.464
   59    HD2  PRO   7           1HD      PRO   7   1.250  -1.171   2.149
   60    HD3  PRO   7           2HD      PRO   7   1.083   0.351   3.045
   61    H    ARG   8           H        ARG   8   1.244  -1.167  -0.320
   62    HA   ARG   8           HA       ARG   8   3.249  -2.594  -1.930
   63    HB2  ARG   8           1HB      ARG   8   0.447  -3.315  -1.033
   64    HB3  ARG   8           2HB      ARG   8   1.421  -4.321  -2.102
   65    HG2  ARG   8           1HG      ARG   8   3.185  -4.450  -0.371
   66    HG3  ARG   8           2HG      ARG   8   2.192  -3.469   0.705
   67    HD2  ARG   8           1HD      ARG   8   0.418  -5.190   0.629
   68    HD3  ARG   8           2HD      ARG   8   1.420  -6.171  -0.433
   69    HE   ARG   8           HE       ARG   8   2.746  -5.484   2.032
   70   HH11  ARG   8          1HH2      ARG   8   0.511  -7.615   0.469
   71   HH12  ARG   8          2HH2      ARG   8   0.782  -8.927   1.565
   72   HH21  ARG   8          1HH1      ARG   8   3.107  -7.202   3.474
   73   HH22  ARG   8          2HH1      ARG   8   2.253  -8.694   3.266
   74    H    ARG   9           H        ARG   9   0.373  -0.733  -2.039
   75    HA   ARG   9           HA       ARG   9   0.400  -0.734  -5.007
   76    HB2  ARG   9           1HB      ARG   9  -1.617  -1.876  -3.965
   77    HB3  ARG   9           2HB      ARG   9  -2.042  -0.312  -3.269
   78    HG2  ARG   9           1HG      ARG   9  -1.978   0.658  -5.591
   79    HG3  ARG   9           2HG      ARG   9  -1.765  -0.979  -6.211
   80    HD2  ARG   9           1HD      ARG   9  -4.081  -0.130  -4.454
   81    HD3  ARG   9           2HD      ARG   9  -4.156  -0.188  -6.212
   82    HE   ARG   9           HE       ARG   9  -3.244  -2.684  -5.228
   83   HH11  ARG   9          1HH2      ARG   9  -6.046  -0.657  -5.380
   84   HH12  ARG   9          2HH2      ARG   9  -7.171  -1.974  -5.336
   85   HH21  ARG   9          1HH1      ARG   9  -4.713  -4.415  -5.175
   86   HH22  ARG   9          2HH1      ARG   9  -6.415  -4.102  -5.219
   87    HA   PRO  10           HA       PRO  10   1.240   3.420  -3.151
   88    HB2  PRO  10           1HB      PRO  10   2.992   3.790  -5.525
   89    HB3  PRO  10           2HB      PRO  10   3.388   3.953  -3.804
   90    HG2  PRO  10           1HG      PRO  10   4.287   1.897  -5.291
   91    HG3  PRO  10           2HG      PRO  10   3.892   1.719  -3.572
   92    HD2  PRO  10           1HD      PRO  10   2.261   0.917  -5.973
   93    HD3  PRO  10           2HD      PRO  10   2.523   0.049  -4.446
   94    H    TYR  11           H        TYR  11   0.343   5.441  -3.821
   95    HA   TYR  11           HA       TYR  11  -1.730   5.385  -5.711
   96    HB2  TYR  11           1HB      TYR  11  -0.178   7.710  -4.546
   97    HB3  TYR  11           2HB      TYR  11  -1.605   7.906  -5.564
   98    HD1  TYR  11           HD1      TYR  11  -0.351   6.672  -2.317
   99    HD2  TYR  11           HD2      TYR  11  -3.821   7.324  -4.763
  100    HE1  TYR  11           HE1      TYR  11  -1.810   6.294  -0.348
  101    HE2  TYR  11           HE2      TYR  11  -5.281   6.946  -2.795
  102    HH   TYR  11           HH       TYR  11  -4.973   7.180  -0.208
  103    H    ILE  12           H        ILE  12   1.594   6.612  -5.950
  104    HA   ILE  12           HA       ILE  12   1.427   7.478  -8.649
  105    HB   ILE  12           HB       ILE  12   3.787   6.624  -6.952
  106   HG12  ILE  12          1HG1      ILE  12   2.928   9.381  -7.865
  107   HG13  ILE  12          2HG1      ILE  12   2.430   8.685  -6.321
  108   HG21  ILE  12          1HG2      ILE  12   5.071   7.947  -8.740
  109   HG22  ILE  12          2HG2      ILE  12   3.631   7.777  -9.744
  110   HG23  ILE  12          3HG2      ILE  12   4.504   6.343  -9.208
  111   HD11  ILE  12          3HD1      ILE  12   5.316   8.999  -7.193
  112   HD12  ILE  12          1HD1      ILE  12   4.743   8.473  -5.609
  113   HD13  ILE  12          2HD1      ILE  12   4.469  10.133  -6.139
  114    H    LEU  13           H        LEU  13   2.419   4.471  -7.105
  115    HA   LEU  13           HA       LEU  13   2.331   2.307  -7.858
  116    HB2  LEU  13           1HB      LEU  13   0.478   3.201  -9.426
  117    HB3  LEU  13           2HB      LEU  13   1.737   3.235 -10.657
  118    HG   LEU  13           HG       LEU  13   2.214   0.778  -9.937
  119   HD11  LEU  13          1HD1      LEU  13   0.004  -0.339  -9.224
  120   HD12  LEU  13          2HD1      LEU  13  -0.519   1.266  -8.726
  121   HD13  LEU  13          3HD1      LEU  13   0.890   0.525  -7.972
  122   HD21  LEU  13          3HD2      LEU  13  -0.233   1.677 -11.475
  123   HD22  LEU  13          1HD2      LEU  13   0.291  -0.006 -11.427
  124   HD23  LEU  13          2HD2      LEU  13   1.347   1.225 -12.118
  Start of MODEL   33
    1    H1   GLU   1           1H       GLU   1   0.643  -7.820   8.440
    2    H2   GLU   1           2H       GLU   1   1.188  -6.215   8.553
    3    H3   GLU   1           3H       GLU   1  -0.360  -6.547   7.938
    4    HA   GLU   1           HA       GLU   1  -0.259  -7.729  10.441
    5    HB2  GLU   1           1HB      GLU   1   1.712  -6.218  10.816
    6    HB3  GLU   1           2HB      GLU   1   0.664  -4.840  10.488
    7    HG2  GLU   1           1HG      GLU   1   0.743  -5.105  12.876
    8    HG3  GLU   1           2HG      GLU   1  -0.843  -5.666  12.354
    9    H    LEU   2           H        LEU   2  -0.856  -4.329   9.561
   10    HA   LEU   2           HA       LEU   2  -3.749  -4.754  10.025
   11    HB2  LEU   2           1HB      LEU   2  -2.205  -2.156   9.809
   12    HB3  LEU   2           2HB      LEU   2  -3.881  -2.350  10.319
   13    HG   LEU   2           HG       LEU   2  -1.464  -3.487  11.758
   14   HD11  LEU   2          1HD1      LEU   2  -1.869  -1.793  13.425
   15   HD12  LEU   2          2HD1      LEU   2  -3.350  -1.277  12.617
   16   HD13  LEU   2          3HD1      LEU   2  -1.784  -0.983  11.861
   17   HD21  LEU   2          3HD2      LEU   2  -3.221  -4.965  12.274
   18   HD22  LEU   2          1HD2      LEU   2  -4.445  -3.699  12.190
   19   HD23  LEU   2          2HD2      LEU   2  -3.348  -3.777  13.568
   20    H    TYR   3           H        TYR   3  -4.062  -2.097   8.549
   21    HA   TYR   3           HA       TYR   3  -4.569  -3.284   5.934
   22    HB2  TYR   3           1HB      TYR   3  -6.214  -1.771   7.096
   23    HB3  TYR   3           2HB      TYR   3  -5.077  -0.445   6.850
   24    HD1  TYR   3           HD1      TYR   3  -6.991  -3.088   5.033
   25    HD2  TYR   3           HD2      TYR   3  -4.996   0.709   4.784
   26    HE1  TYR   3           HE1      TYR   3  -7.842  -2.791   2.723
   27    HE2  TYR   3           HE2      TYR   3  -5.847   1.003   2.472
   28    HH   TYR   3           HH       TYR   3  -7.996  -1.419   0.983
   29    H    GLU   4           H        GLU   4  -1.871  -3.206   6.481
   30    HA   GLU   4           HA       GLU   4  -0.692  -0.850   5.249
   31    HB2  GLU   4           1HB      GLU   4   0.472  -3.437   6.301
   32    HB3  GLU   4           2HB      GLU   4   1.442  -2.146   5.585
   33    HG2  GLU   4           1HG      GLU   4   0.646  -0.569   7.276
   34    HG3  GLU   4           2HG      GLU   4  -0.407  -1.804   7.963
   35    H    ASN   5           H        ASN   5  -2.531  -2.350   3.622
   36    HA   ASN   5           HA       ASN   5  -0.830  -3.703   1.636
   37    HB2  ASN   5           1HB      ASN   5  -3.825  -3.476   1.973
   38    HB3  ASN   5           2HB      ASN   5  -3.065  -4.215   0.566
   39   HD21  ASN   5          2HD2      ASN   5  -4.723  -5.725   2.372
   40   HD22  ASN   5          1HD2      ASN   5  -3.738  -6.863   3.157
   41    H    LYS   6           H        LYS   6  -1.207  -0.669   2.261
   42    HA   LYS   6           HA       LYS   6  -2.120   0.285  -0.350
   43    HB2  LYS   6           1HB      LYS   6  -1.929   2.528   0.651
   44    HB3  LYS   6           2HB      LYS   6  -2.962   1.460   1.596
   45    HG2  LYS   6           1HG      LYS   6  -1.167   1.042   3.183
   46    HG3  LYS   6           2HG      LYS   6  -0.036   1.975   2.199
   47    HD2  LYS   6           1HD      LYS   6  -1.499   3.980   2.511
   48    HD3  LYS   6           2HD      LYS   6  -2.502   3.031   3.609
   49    HE2  LYS   6           1HE      LYS   6  -0.363   2.564   4.933
   50    HE3  LYS   6           2HE      LYS   6   0.395   3.827   3.962
   51    HZ1  LYS   6           3HZ      LYS   6  -0.382   4.973   5.789
   52    HZ2  LYS   6           1HZ      LYS   6  -1.802   4.055   5.910
   53    HZ3  LYS   6           2HZ      LYS   6  -1.640   5.207   4.671
   54    HA   PRO   7           HA       PRO   7   2.434   1.573  -0.445
   55    HB2  PRO   7           1HB      PRO   7   4.300   0.031   0.745
   56    HB3  PRO   7           2HB      PRO   7   3.383   1.245   1.661
   57    HG2  PRO   7           1HG      PRO   7   3.042  -1.713   1.576
   58    HG3  PRO   7           2HG      PRO   7   2.840  -0.592   2.935
   59    HD2  PRO   7           1HD      PRO   7   0.757  -1.637   1.343
   60    HD3  PRO   7           2HD      PRO   7   0.617  -0.246   2.438
   61    H    ARG   8           H        ARG   8   0.987  -1.291  -1.043
   62    HA   ARG   8           HA       ARG   8   3.014  -2.399  -2.862
   63    HB2  ARG   8           1HB      ARG   8   0.202  -3.294  -2.160
   64    HB3  ARG   8           2HB      ARG   8   1.272  -4.136  -3.279
   65    HG2  ARG   8           1HG      ARG   8   2.903  -4.514  -1.500
   66    HG3  ARG   8           2HG      ARG   8   1.924  -3.578  -0.370
   67    HD2  ARG   8           1HD      ARG   8   1.517  -5.954  -0.007
   68    HD3  ARG   8           2HD      ARG   8   0.069  -5.210  -0.675
   69    HE   ARG   8           HE       ARG   8   1.689  -6.237  -2.772
   70   HH11  ARG   8          1HH2      ARG   8  -0.385  -7.181  -0.169
   71   HH12  ARG   8          2HH2      ARG   8  -0.898  -8.650  -0.926
   72   HH21  ARG   8          1HH1      ARG   8   1.025  -8.163  -3.772
   73   HH22  ARG   8          2HH1      ARG   8  -0.099  -9.208  -2.966
   74    H    ARG   9           H        ARG   9   0.161  -0.544  -2.635
   75    HA   ARG   9           HA       ARG   9   0.086  -0.109  -5.568
   76    HB2  ARG   9           1HB      ARG   9  -2.183  -0.190  -3.565
   77    HB3  ARG   9           2HB      ARG   9  -2.349   0.435  -5.207
   78    HG2  ARG   9           1HG      ARG   9  -1.469  -1.796  -6.034
   79    HG3  ARG   9           2HG      ARG   9  -1.620  -2.385  -4.378
   80    HD2  ARG   9           1HD      ARG   9  -4.012  -1.883  -4.384
   81    HD3  ARG   9           2HD      ARG   9  -3.886  -1.196  -6.002
   82    HE   ARG   9           HE       ARG   9  -2.911  -3.784  -6.202
   83   HH11  ARG   9          1HH2      ARG   9  -5.830  -2.202  -5.230
   84   HH12  ARG   9          2HH2      ARG   9  -6.863  -3.506  -5.717
   85   HH21  ARG   9          1HH1      ARG   9  -4.258  -5.497  -6.844
   86   HH22  ARG   9          2HH1      ARG   9  -5.972  -5.371  -6.632
   87    HA   PRO  10           HA       PRO  10   0.963   3.697  -3.003
   88    HB2  PRO  10           1HB      PRO  10   3.171   4.590  -4.382
   89    HB3  PRO  10           2HB      PRO  10   3.259   3.433  -3.037
   90    HG2  PRO  10           1HG      PRO  10   3.320   2.920  -5.975
   91    HG3  PRO  10           2HG      PRO  10   4.284   2.181  -4.686
   92    HD2  PRO  10           1HD      PRO  10   2.113   0.939  -5.793
   93    HD3  PRO  10           2HD      PRO  10   2.605   0.689  -4.101
   94    H    TYR  11           H        TYR  11   0.977   6.012  -3.738
   95    HA   TYR  11           HA       TYR  11  -1.022   6.514  -5.642
   96    HB2  TYR  11           1HB      TYR  11   1.108   8.366  -4.542
   97    HB3  TYR  11           2HB      TYR  11  -0.310   8.890  -5.450
   98    HD1  TYR  11           HD2      TYR  11   0.848   7.291  -2.316
   99    HD2  TYR  11           HD1      TYR  11  -2.505   8.915  -4.454
  100    HE1  TYR  11           HE2      TYR  11  -0.501   7.240  -0.236
  101    HE2  TYR  11           HE1      TYR  11  -3.856   8.865  -2.373
  102    HH   TYR  11           HH       TYR  11  -3.478   8.858   0.062
  103    H    ILE  12           H        ILE  12   2.493   6.486  -5.898
  104    HA   ILE  12           HA       ILE  12   2.418   7.331  -8.697
  105    HB   ILE  12           HB       ILE  12   4.886   7.175  -8.541
  106   HG12  ILE  12          1HG1      ILE  12   4.374   6.431  -5.641
  107   HG13  ILE  12          2HG1      ILE  12   4.912   5.291  -6.874
  108   HG21  ILE  12          1HG2      ILE  12   5.164   9.039  -6.994
  109   HG22  ILE  12          2HG2      ILE  12   3.636   8.651  -6.205
  110   HG23  ILE  12          3HG2      ILE  12   3.646   9.236  -7.868
  111   HD11  ILE  12          3HD1      ILE  12   6.864   6.865  -7.307
  112   HD12  ILE  12          1HD1      ILE  12   6.889   6.035  -5.752
  113   HD13  ILE  12          2HD1      ILE  12   6.384   7.723  -5.843
  114    H    LEU  13           H        LEU  13   1.840   4.532  -7.106
  115    HA   LEU  13           HA       LEU  13   1.820   2.310  -7.670
  116    HB2  LEU  13           1HB      LEU  13   2.056   3.533 -10.425
  117    HB3  LEU  13           2HB      LEU  13   1.845   1.810 -10.144
  118    HG   LEU  13           HG       LEU  13  -0.222   2.404  -8.771
  119   HD11  LEU  13          1HD1      LEU  13  -1.231   4.657  -9.561
  120   HD12  LEU  13          2HD1      LEU  13   0.422   5.098  -9.987
  121   HD13  LEU  13          3HD1      LEU  13   0.013   4.716  -8.316
  122   HD21  LEU  13          3HD2      LEU  13  -0.322   1.497 -11.070
  123   HD22  LEU  13          1HD2      LEU  13  -0.204   3.134 -11.717
  124   HD23  LEU  13          2HD2      LEU  13  -1.622   2.655 -10.784
  Start of MODEL   34
    1    H1   GLU   1           1H       GLU   1  -3.108  -7.717   5.433
    2    H2   GLU   1           2H       GLU   1  -1.685  -8.642   5.384
    3    H3   GLU   1           3H       GLU   1  -1.601  -6.960   5.601
    4    HA   GLU   1           HA       GLU   1  -2.771  -8.906   7.513
    5    HB2  GLU   1           1HB      GLU   1  -0.206  -7.292   7.518
    6    HB3  GLU   1           2HB      GLU   1  -0.841  -8.128   8.935
    7    HG2  GLU   1           1HG      GLU   1  -0.745 -10.270   7.742
    8    HG3  GLU   1           2HG      GLU   1  -0.166  -9.451   6.292
    9    H    LEU   2           H        LEU   2  -1.207  -5.784   7.997
   10    HA   LEU   2           HA       LEU   2  -3.684  -4.770   9.259
   11    HB2  LEU   2           1HB      LEU   2  -0.855  -3.703   9.442
   12    HB3  LEU   2           2HB      LEU   2  -2.239  -3.196  10.408
   13    HG   LEU   2           HG       LEU   2  -1.067  -5.992  10.394
   14   HD11  LEU   2          1HD1      LEU   2   0.344  -4.143  11.433
   15   HD12  LEU   2          2HD1      LEU   2  -0.101  -5.458  12.521
   16   HD13  LEU   2          3HD1      LEU   2  -0.960  -3.920  12.598
   17   HD21  LEU   2          3HD2      LEU   2  -2.544  -6.030  12.567
   18   HD22  LEU   2          1HD2      LEU   2  -3.324  -6.259  11.003
   19   HD23  LEU   2          2HD2      LEU   2  -3.397  -4.689  11.804
   20    H    TYR   3           H        TYR   3  -2.354  -2.050   9.044
   21    HA   TYR   3           HA       TYR   3  -3.615  -1.280   6.532
   22    HB2  TYR   3           1HB      TYR   3  -3.830   0.002   8.720
   23    HB3  TYR   3           2HB      TYR   3  -2.146   0.476   8.510
   24    HD1  TYR   3           HD2      TYR   3  -5.530   0.646   6.983
   25    HD2  TYR   3           HD1      TYR   3  -1.517   2.177   6.953
   26    HE1  TYR   3           HE2      TYR   3  -6.241   2.484   5.475
   27    HE2  TYR   3           HE1      TYR   3  -2.228   4.013   5.447
   28    HH   TYR   3           HH       TYR   3  -4.984   5.119   5.076
   29    H    GLU   4           H        GLU   4  -1.074  -2.877   6.771
   30    HA   GLU   4           HA       GLU   4   0.987  -1.141   5.682
   31    HB2  GLU   4           1HB      GLU   4   2.451  -2.935   6.030
   32    HB3  GLU   4           2HB      GLU   4   1.270  -3.146   7.318
   33    HG2  GLU   4           1HG      GLU   4   1.394  -5.312   6.455
   34    HG3  GLU   4           2HG      GLU   4   0.019  -4.660   5.569
   35    H    ASN   5           H        ASN   5  -1.703  -2.406   4.370
   36    HA   ASN   5           HA       ASN   5  -0.505  -3.362   1.863
   37    HB2  ASN   5           1HB      ASN   5  -3.341  -3.280   2.895
   38    HB3  ASN   5           2HB      ASN   5  -2.917  -3.799   1.265
   39   HD21  ASN   5          2HD2      ASN   5  -4.131  -5.596   3.138
   40   HD22  ASN   5          1HD2      ASN   5  -2.997  -6.792   3.542
   41    H    LYS   6           H        LYS   6  -0.958  -0.394   3.026
   42    HA   LYS   6           HA       LYS   6  -2.375   0.741   0.732
   43    HB2  LYS   6           1HB      LYS   6  -2.242   1.479   3.395
   44    HB3  LYS   6           2HB      LYS   6  -1.144   2.635   2.651
   45    HG2  LYS   6           1HG      LYS   6  -3.981   2.109   1.699
   46    HG3  LYS   6           2HG      LYS   6  -3.501   3.450   2.735
   47    HD2  LYS   6           1HD      LYS   6  -1.883   4.174   0.958
   48    HD3  LYS   6           2HD      LYS   6  -2.548   2.921  -0.091
   49    HE2  LYS   6           1HE      LYS   6  -3.988   5.321   1.056
   50    HE3  LYS   6           2HE      LYS   6  -3.720   4.936  -0.644
   51    HZ1  LYS   6           3HZ      LYS   6  -5.966   4.376   0.028
   52    HZ2  LYS   6           1HZ      LYS   6  -5.374   3.363   1.253
   53    HZ3  LYS   6           2HZ      LYS   6  -5.101   2.969  -0.376
   54    HA   PRO   7           HA       PRO   7   1.910   2.546  -0.063
   55    HB2  PRO   7           1HB      PRO   7   4.066   1.841   1.395
   56    HB3  PRO   7           2HB      PRO   7   2.878   3.012   2.007
   57    HG2  PRO   7           1HG      PRO   7   3.237   0.140   2.713
   58    HG3  PRO   7           2HG      PRO   7   2.761   1.502   3.742
   59    HD2  PRO   7           1HD      PRO   7   0.998  -0.372   2.569
   60    HD3  PRO   7           2HD      PRO   7   0.525   1.181   3.286
   61    H    ARG   8           H        ARG   8   1.059  -0.548  -0.053
   62    HA   ARG   8           HA       ARG   8   3.400  -1.674  -1.428
   63    HB2  ARG   8           1HB      ARG   8   0.676  -2.891  -0.879
   64    HB3  ARG   8           2HB      ARG   8   2.088  -3.744  -1.491
   65    HG2  ARG   8           1HG      ARG   8   2.141  -2.288   1.157
   66    HG3  ARG   8           2HG      ARG   8   1.598  -3.960   1.032
   67    HD2  ARG   8           1HD      ARG   8   3.790  -4.515  -0.073
   68    HD3  ARG   8           2HD      ARG   8   4.323  -2.872   0.273
   69    HE   ARG   8           HE       ARG   8   3.373  -4.449   2.547
   70   HH11  ARG   8          1HH2      ARG   8   6.021  -3.235   0.669
   71   HH12  ARG   8          2HH2      ARG   8   7.183  -3.430   1.937
   72   HH21  ARG   8          1HH1      ARG   8   4.896  -4.703   4.208
   73   HH22  ARG   8          2HH1      ARG   8   6.548  -4.260   3.935
   74    H    ARG   9           H        ARG   9   0.284  -0.342  -1.849
   75    HA   ARG   9           HA       ARG   9   0.503  -0.531  -4.798
   76    HB2  ARG   9           1HB      ARG   9  -2.075  -0.244  -4.649
   77    HB3  ARG   9           2HB      ARG   9  -1.395  -1.835  -4.306
   78    HG2  ARG   9           1HG      ARG   9  -1.556  -1.486  -1.933
   79    HG3  ARG   9           2HG      ARG   9  -1.971   0.213  -2.151
   80    HD2  ARG   9           1HD      ARG   9  -4.029  -0.564  -3.417
   81    HD3  ARG   9           2HD      ARG   9  -3.646  -2.199  -2.885
   82    HE   ARG   9           HE       ARG   9  -3.723  -0.401  -0.670
   83   HH11  ARG   9          1HH2      ARG   9  -5.674  -2.121  -2.950
   84   HH12  ARG   9          2HH2      ARG   9  -7.054  -2.217  -1.910
   85   HH21  ARG   9          1HH1      ARG   9  -5.536  -0.517   0.702
   86   HH22  ARG   9          2HH1      ARG   9  -6.974  -1.312   0.158
   87    HA   PRO  10           HA       PRO  10   0.498   3.803  -3.188
   88    HB2  PRO  10           1HB      PRO  10   2.680   4.757  -4.502
   89    HB3  PRO  10           2HB      PRO  10   2.811   3.821  -2.998
   90    HG2  PRO  10           1HG      PRO  10   3.199   2.931  -5.820
   91    HG3  PRO  10           2HG      PRO  10   4.137   2.518  -4.374
   92    HD2  PRO  10           1HD      PRO  10   2.191   0.876  -5.461
   93    HD3  PRO  10           2HD      PRO  10   2.671   0.838  -3.750
   94    H    TYR  11           H        TYR  11   0.164   5.871  -4.385
   95    HA   TYR  11           HA       TYR  11  -1.602   5.600  -6.543
   96    HB2  TYR  11           1HB      TYR  11  -1.616   7.587  -5.140
   97    HB3  TYR  11           2HB      TYR  11   0.018   8.003  -5.659
   98    HD1  TYR  11           HD2      TYR  11  -3.458   7.457  -6.924
   99    HD2  TYR  11           HD1      TYR  11   0.382   9.250  -7.635
  100    HE1  TYR  11           HE2      TYR  11  -4.382   8.661  -8.886
  101    HE2  TYR  11           HE1      TYR  11  -0.543  10.452  -9.597
  102    HH   TYR  11           HH       TYR  11  -2.487  10.097 -11.218
  103    H    ILE  12           H        ILE  12   1.855   6.449  -6.478
  104    HA   ILE  12           HA       ILE  12   2.072   6.773  -9.301
  105    HB   ILE  12           HB       ILE  12   4.517   6.668  -8.891
  106   HG12  ILE  12          1HG1      ILE  12   3.725   6.209  -5.999
  107   HG13  ILE  12          2HG1      ILE  12   4.364   4.949  -7.053
  108   HG21  ILE  12          1HG2      ILE  12   4.616   8.662  -7.466
  109   HG22  ILE  12          2HG2      ILE  12   2.987   8.338  -6.873
  110   HG23  ILE  12          3HG2      ILE  12   3.240   8.772  -8.564
  111   HD11  ILE  12          3HD1      ILE  12   6.228   5.820  -5.818
  112   HD12  ILE  12          1HD1      ILE  12   5.756   7.483  -6.161
  113   HD13  ILE  12          2HD1      ILE  12   6.367   6.454  -7.458
  114    H    LEU  13           H        LEU  13   2.122   4.045  -7.165
  115    HA   LEU  13           HA       LEU  13   2.195   1.791  -7.577
  116    HB2  LEU  13           1HB      LEU  13   0.734   2.646  -9.553
  117    HB3  LEU  13           2HB      LEU  13   2.157   2.325 -10.530
  118    HG   LEU  13           HG       LEU  13   0.730   0.370 -10.592
  119   HD11  LEU  13          1HD1      LEU  13   2.288  -1.297  -9.978
  120   HD12  LEU  13          2HD1      LEU  13   2.921  -0.337  -8.640
  121   HD13  LEU  13          3HD1      LEU  13   3.270   0.129 -10.307
  122   HD21  LEU  13          3HD2      LEU  13  -0.322  -0.600  -8.778
  123   HD22  LEU  13          1HD2      LEU  13  -0.229   1.051  -8.172
  124   HD23  LEU  13          2HD2      LEU  13   0.949  -0.151  -7.644
  Start of MODEL   35
    1    H1   GLU   1           1H       GLU   1  -0.977  -7.795   5.536
    2    H2   GLU   1           2H       GLU   1   0.264  -7.454   6.644
    3    H3   GLU   1           3H       GLU   1  -0.957  -6.312   6.358
    4    HA   GLU   1           HA       GLU   1  -2.080  -8.791   7.160
    5    HB2  GLU   1           1HB      GLU   1  -0.037  -7.479   8.982
    6    HB3  GLU   1           2HB      GLU   1  -1.233  -8.656   9.524
    7    HG2  GLU   1           1HG      GLU   1   0.814  -9.174   7.349
    8    HG3  GLU   1           2HG      GLU   1   0.987  -9.686   9.027
    9    H    LEU   2           H        LEU   2  -1.128  -5.594   8.476
   10    HA   LEU   2           HA       LEU   2  -3.919  -5.108   9.282
   11    HB2  LEU   2           1HB      LEU   2  -1.437  -3.446   9.780
   12    HB3  LEU   2           2HB      LEU   2  -3.017  -3.226  10.530
   13    HG   LEU   2           HG       LEU   2  -1.283  -5.703  10.810
   14   HD11  LEU   2          1HD1      LEU   2  -1.845  -3.397  12.696
   15   HD12  LEU   2          2HD1      LEU   2  -0.286  -3.839  12.003
   16   HD13  LEU   2          3HD1      LEU   2  -1.062  -4.900  13.180
   17   HD21  LEU   2          3HD2      LEU   2  -3.006  -6.050  12.752
   18   HD22  LEU   2          1HD2      LEU   2  -3.504  -6.441  11.108
   19   HD23  LEU   2          2HD2      LEU   2  -4.012  -4.921  11.844
   20    H    TYR   3           H        TYR   3  -3.034  -2.135   9.062
   21    HA   TYR   3           HA       TYR   3  -4.215  -1.742   6.424
   22    HB2  TYR   3           1HB      TYR   3  -4.810  -0.338   8.449
   23    HB3  TYR   3           2HB      TYR   3  -3.197   0.364   8.344
   24    HD1  TYR   3           HD1      TYR   3  -6.330  -0.200   6.404
   25    HD2  TYR   3           HD2      TYR   3  -2.727   2.106   6.795
   26    HE1  TYR   3           HE1      TYR   3  -7.129   1.350   4.642
   27    HE2  TYR   3           HE2      TYR   3  -3.525   3.651   5.028
   28    HH   TYR   3           HH       TYR   3  -5.983   4.319   4.143
   29    H    GLU   4           H        GLU   4  -1.495  -2.899   6.907
   30    HA   GLU   4           HA       GLU   4   0.350  -0.926   5.835
   31    HB2  GLU   4           1HB      GLU   4   2.031  -2.627   6.121
   32    HB3  GLU   4           2HB      GLU   4   1.006  -2.634   7.556
   33    HG2  GLU   4           1HG      GLU   4  -0.298  -4.519   6.561
   34    HG3  GLU   4           2HG      GLU   4   0.848  -4.566   5.222
   35    H    ASN   5           H        ASN   5  -2.053  -2.053   4.307
   36    HA   ASN   5           HA       ASN   5  -0.665  -3.260   1.995
   37    HB2  ASN   5           1HB      ASN   5  -2.888  -3.870   1.214
   38    HB3  ASN   5           2HB      ASN   5  -2.662  -4.421   2.874
   39   HD21  ASN   5          2HD2      ASN   5  -5.169  -4.351   2.778
   40   HD22  ASN   5          1HD2      ASN   5  -5.911  -2.875   3.170
   41    H    LYS   6           H        LYS   6  -1.008  -0.268   2.963
   42    HA   LYS   6           HA       LYS   6  -2.220   0.881   0.560
   43    HB2  LYS   6           1HB      LYS   6  -2.678   1.815   2.854
   44    HB3  LYS   6           2HB      LYS   6  -1.004   2.362   2.900
   45    HG2  LYS   6           1HG      LYS   6  -1.325   3.764   0.968
   46    HG3  LYS   6           2HG      LYS   6  -2.932   3.092   0.681
   47    HD2  LYS   6           1HD      LYS   6  -3.799   4.089   2.687
   48    HD3  LYS   6           2HD      LYS   6  -2.185   4.544   3.229
   49    HE2  LYS   6           1HE      LYS   6  -3.219   6.522   2.322
   50    HE3  LYS   6           2HE      LYS   6  -1.997   5.994   1.165
   51    HZ1  LYS   6           3HZ      LYS   6  -4.287   4.638   0.482
   52    HZ2  LYS   6           1HZ      LYS   6  -3.603   5.956  -0.338
   53    HZ3  LYS   6           2HZ      LYS   6  -4.810   6.217   0.829
   54    HA   PRO   7           HA       PRO   7   2.276   2.181  -0.038
   55    HB2  PRO   7           1HB      PRO   7   4.265   1.152   1.459
   56    HB3  PRO   7           2HB      PRO   7   3.220   2.442   2.090
   57    HG2  PRO   7           1HG      PRO   7   3.219  -0.463   2.720
   58    HG3  PRO   7           2HG      PRO   7   2.807   0.916   3.753
   59    HD2  PRO   7           1HD      PRO   7   0.971  -0.762   2.345
   60    HD3  PRO   7           2HD      PRO   7   0.579   0.738   3.208
   61    H    ARG   8           H        ARG   8   0.938  -0.670  -0.176
   62    HA   ARG   8           HA       ARG   8   3.090  -2.221  -1.446
   63    HB2  ARG   8           1HB      ARG   8   1.380  -3.332   0.057
   64    HB3  ARG   8           2HB      ARG   8   0.154  -2.900  -1.140
   65    HG2  ARG   8           1HG      ARG   8   1.413  -4.159  -2.866
   66    HG3  ARG   8           2HG      ARG   8   2.586  -4.640  -1.639
   67    HD2  ARG   8           1HD      ARG   8   0.685  -5.651  -0.330
   68    HD3  ARG   8           2HD      ARG   8  -0.361  -5.323  -1.708
   69    HE   ARG   8           HE       ARG   8   1.997  -6.815  -2.427
   70   HH11  ARG   8          1HH2      ARG   8  -1.214  -6.942  -1.145
   71   HH12  ARG   8          2HH2      ARG   8  -1.482  -8.591  -1.601
   72   HH21  ARG   8          1HH1      ARG   8   1.653  -8.986  -3.028
   73   HH22  ARG   8          2HH1      ARG   8   0.140  -9.748  -2.664
   74    H    ARG   9           H        ARG   9   0.270  -0.342  -1.979
   75    HA   ARG   9           HA       ARG   9   0.602  -0.537  -4.919
   76    HB2  ARG   9           1HB      ARG   9  -1.964   0.015  -3.408
   77    HB3  ARG   9           2HB      ARG   9  -1.781  -0.179  -5.153
   78    HG2  ARG   9           1HG      ARG   9  -0.838  -2.502  -4.659
   79    HG3  ARG   9           2HG      ARG   9  -1.425  -2.282  -3.010
   80    HD2  ARG   9           1HD      ARG   9  -3.125  -3.461  -4.277
   81    HD3  ARG   9           2HD      ARG   9  -3.705  -1.834  -3.932
   82    HE   ARG   9           HE       ARG   9  -2.491  -1.634  -6.395
   83   HH11  ARG   9          1HH2      ARG   9  -4.973  -3.571  -4.960
   84   HH12  ARG   9          2HH2      ARG   9  -5.854  -3.784  -6.435
   85   HH21  ARG   9          1HH1      ARG   9  -3.643  -1.907  -8.335
   86   HH22  ARG   9          2HH1      ARG   9  -5.102  -2.840  -8.347
   87    HA   PRO  10           HA       PRO  10   1.479   3.715  -3.323
   88    HB2  PRO  10           1HB      PRO  10   3.269   3.865  -5.697
   89    HB3  PRO  10           2HB      PRO  10   3.635   4.177  -3.991
   90    HG2  PRO  10           1HG      PRO  10   4.513   1.975  -5.294
   91    HG3  PRO  10           2HG      PRO  10   4.147   1.985  -3.560
   92    HD2  PRO  10           1HD      PRO  10   2.526   0.867  -5.824
   93    HD3  PRO  10           2HD      PRO  10   2.719   0.270  -4.167
   94    H    TYR  11           H        TYR  11   0.790   5.759  -4.195
   95    HA   TYR  11           HA       TYR  11  -1.373   5.728  -5.954
   96    HB2  TYR  11           1HB      TYR  11   0.505   8.011  -5.289
   97    HB3  TYR  11           2HB      TYR  11  -1.044   8.191  -6.112
   98    HD1  TYR  11           HD2      TYR  11  -3.164   7.468  -4.931
   99    HD2  TYR  11           HD1      TYR  11   0.621   7.765  -2.923
  100    HE1  TYR  11           HE2      TYR  11  -4.329   7.512  -2.742
  101    HE2  TYR  11           HE1      TYR  11  -0.542   7.810  -0.734
  102    HH   TYR  11           HH       TYR  11  -4.000   7.240  -0.478
  103    H    ILE  12           H        ILE  12   2.037   6.508  -6.585
  104    HA   ILE  12           HA       ILE  12   1.586   6.938  -9.406
  105    HB   ILE  12           HB       ILE  12   4.072   7.061  -9.510
  106   HG12  ILE  12          1HG1      ILE  12   3.933   6.668  -6.503
  107   HG13  ILE  12          2HG1      ILE  12   4.430   5.404  -7.627
  108   HG21  ILE  12          1HG2      ILE  12   2.871   9.098  -9.078
  109   HG22  ILE  12          2HG2      ILE  12   4.241   9.067  -7.970
  110   HG23  ILE  12          3HG2      ILE  12   2.626   8.666  -7.387
  111   HD11  ILE  12          3HD1      ILE  12   6.421   6.508  -6.786
  112   HD12  ILE  12          1HD1      ILE  12   5.770   8.089  -7.213
  113   HD13  ILE  12          2HD1      ILE  12   6.216   6.948  -8.482
  114    H    LEU  13           H        LEU  13   1.867   4.255  -7.422
  115    HA   LEU  13           HA       LEU  13   2.142   2.016  -7.797
  116    HB2  LEU  13           1HB      LEU  13   1.432   2.901 -10.594
  117    HB3  LEU  13           2HB      LEU  13   1.602   1.215 -10.124
  118    HG   LEU  13           HG       LEU  13  -0.265   3.146  -8.714
  119   HD11  LEU  13          1HD1      LEU  13  -1.031   3.027 -10.987
  120   HD12  LEU  13          2HD1      LEU  13  -2.057   1.946 -10.046
  121   HD13  LEU  13          3HD1      LEU  13  -0.766   1.283 -11.048
  122   HD21  LEU  13          3HD2      LEU  13   0.220   0.164  -8.625
  123   HD22  LEU  13          1HD2      LEU  13  -1.374   0.803  -8.229
  124   HD23  LEU  13          2HD2      LEU  13   0.028   1.295  -7.286
  Start of MODEL   36
    1    H1   GLU   1           1H       GLU   1   0.779  -7.800   8.419
    2    H2   GLU   1           2H       GLU   1  -0.591  -8.731   8.044
    3    H3   GLU   1           3H       GLU   1  -0.729  -7.391   9.079
    4    HA   GLU   1           HA       GLU   1   0.114  -6.024   7.120
    5    HB2  GLU   1           1HB      GLU   1   0.642  -8.292   5.923
    6    HB3  GLU   1           2HB      GLU   1  -1.075  -8.299   5.531
    7    HG2  GLU   1           1HG      GLU   1   0.791  -5.988   4.906
    8    HG3  GLU   1           2HG      GLU   1   0.375  -7.256   3.757
    9    H    LEU   2           H        LEU   2  -1.619  -5.294   8.702
   10    HA   LEU   2           HA       LEU   2  -4.369  -5.883   7.928
   11    HB2  LEU   2           1HB      LEU   2  -3.089  -4.215  10.092
   12    HB3  LEU   2           2HB      LEU   2  -4.815  -4.094   9.750
   13    HG   LEU   2           HG       LEU   2  -5.025  -6.554  10.076
   14   HD11  LEU   2          1HD1      LEU   2  -3.013  -7.610  11.307
   15   HD12  LEU   2          2HD1      LEU   2  -2.072  -6.268  10.655
   16   HD13  LEU   2          3HD1      LEU   2  -2.870  -7.400   9.563
   17   HD21  LEU   2          3HD2      LEU   2  -4.599  -6.506  12.562
   18   HD22  LEU   2          1HD2      LEU   2  -5.507  -5.114  11.968
   19   HD23  LEU   2          2HD2      LEU   2  -3.790  -4.954  12.339
   20    H    TYR   3           H        TYR   3  -2.883  -2.729   8.610
   21    HA   TYR   3           HA       TYR   3  -4.317  -1.604   6.278
   22    HB2  TYR   3           1HB      TYR   3  -4.787  -0.560   8.465
   23    HB3  TYR   3           2HB      TYR   3  -3.071  -0.202   8.657
   24    HD1  TYR   3           HD1      TYR   3  -5.957   0.338   6.342
   25    HD2  TYR   3           HD2      TYR   3  -2.159   1.778   7.741
   26    HE1  TYR   3           HE1      TYR   3  -6.241   2.398   4.993
   27    HE2  TYR   3           HE2      TYR   3  -2.443   3.837   6.391
   28    HH   TYR   3           HH       TYR   3  -3.729   4.933   4.960
   29    H    GLU   4           H        GLU   4  -1.553  -3.034   6.610
   30    HA   GLU   4           HA       GLU   4   0.294  -0.988   5.688
   31    HB2  GLU   4           1HB      GLU   4   0.549  -3.974   6.094
   32    HB3  GLU   4           2HB      GLU   4   1.865  -2.949   5.512
   33    HG2  GLU   4           1HG      GLU   4   1.764  -1.605   7.545
   34    HG3  GLU   4           2HG      GLU   4   0.371  -2.523   8.115
   35    H    ASN   5           H        ASN   5  -2.196  -2.011   4.172
   36    HA   ASN   5           HA       ASN   5  -1.002  -3.059   1.716
   37    HB2  ASN   5           1HB      ASN   5  -3.194  -3.898   2.600
   38    HB3  ASN   5           2HB      ASN   5  -3.878  -2.309   2.260
   39   HD21  ASN   5          2HD2      ASN   5  -5.307  -3.178   0.586
   40   HD22  ASN   5          1HD2      ASN   5  -4.693  -3.692  -0.912
   41    H    LYS   6           H        LYS   6  -0.989  -0.128   3.012
   42    HA   LYS   6           HA       LYS   6  -1.998   1.420   0.769
   43    HB2  LYS   6           1HB      LYS   6  -1.214   1.935   3.529
   44    HB3  LYS   6           2HB      LYS   6  -0.451   3.106   2.459
   45    HG2  LYS   6           1HG      LYS   6  -3.408   2.479   2.270
   46    HG3  LYS   6           2HG      LYS   6  -2.787   3.689   3.390
   47    HD2  LYS   6           1HD      LYS   6  -1.678   4.846   1.481
   48    HD3  LYS   6           2HD      LYS   6  -2.411   3.681   0.379
   49    HE2  LYS   6           1HE      LYS   6  -4.060   5.335   2.295
   50    HE3  LYS   6           2HE      LYS   6  -3.656   5.901   0.675
   51    HZ1  LYS   6           3HZ      LYS   6  -4.526   3.382   0.235
   52    HZ2  LYS   6           1HZ      LYS   6  -5.467   4.781   0.057
   53    HZ3  LYS   6           2HZ      LYS   6  -5.539   3.890   1.501
   54    HA   PRO   7           HA       PRO   7   2.608   2.146  -0.039
   55    HB2  PRO   7           1HB      PRO   7   4.535   0.946   1.440
   56    HB3  PRO   7           2HB      PRO   7   3.721   2.424   1.995
   57    HG2  PRO   7           1HG      PRO   7   3.236  -0.414   2.797
   58    HG3  PRO   7           2HG      PRO   7   3.280   1.048   3.801
   59    HD2  PRO   7           1HD      PRO   7   0.940  -0.138   2.908
   60    HD3  PRO   7           2HD      PRO   7   1.075   1.578   3.343
   61    H    ARG   8           H        ARG   8   0.955  -0.560   0.046
   62    HA   ARG   8           HA       ARG   8   2.882  -2.367  -1.240
   63    HB2  ARG   8           1HB      ARG   8   0.953  -3.046   0.425
   64    HB3  ARG   8           2HB      ARG   8  -0.083  -2.881  -0.993
   65    HG2  ARG   8           1HG      ARG   8   0.507  -5.133  -1.151
   66    HG3  ARG   8           2HG      ARG   8   1.763  -4.400  -2.144
   67    HD2  ARG   8           1HD      ARG   8   3.279  -4.381  -0.170
   68    HD3  ARG   8           2HD      ARG   8   2.023  -5.168   0.780
   69    HE   ARG   8           HE       ARG   8   2.568  -6.671  -1.575
   70   HH11  ARG   8          1HH2      ARG   8   3.841  -5.802   1.521
   71   HH12  ARG   8          2HH2      ARG   8   4.762  -7.258   1.706
   72   HH21  ARG   8          1HH1      ARG   8   3.771  -8.585  -1.339
   73   HH22  ARG   8          2HH1      ARG   8   4.718  -8.835   0.089
   74    H    ARG   9           H        ARG   9   0.223  -0.266  -1.769
   75    HA   ARG   9           HA       ARG   9   0.425  -0.592  -4.708
   76    HB2  ARG   9           1HB      ARG   9  -1.982   0.096  -2.999
   77    HB3  ARG   9           2HB      ARG   9  -1.947   0.206  -4.760
   78    HG2  ARG   9           1HG      ARG   9  -1.414  -2.199  -4.904
   79    HG3  ARG   9           2HG      ARG   9  -1.450  -2.312  -3.144
   80    HD2  ARG   9           1HD      ARG   9  -3.596  -3.040  -3.846
   81    HD3  ARG   9           2HD      ARG   9  -3.836  -1.390  -3.284
   82    HE   ARG   9           HE       ARG   9  -3.917  -2.319  -6.068
   83   HH11  ARG   9          1HH2      ARG   9  -3.979   0.300  -3.788
   84   HH12  ARG   9          2HH2      ARG   9  -4.674   1.425  -4.903
   85   HH21  ARG   9          1HH1      ARG   9  -4.821  -0.838  -7.522
   86   HH22  ARG   9          2HH1      ARG   9  -5.148   0.784  -7.013
   87    HA   PRO  10           HA       PRO  10   1.869   3.565  -3.288
   88    HB2  PRO  10           1HB      PRO  10   3.331   3.466  -5.895
   89    HB3  PRO  10           2HB      PRO  10   3.946   3.844  -4.272
   90    HG2  PRO  10           1HG      PRO  10   4.495   1.515  -5.470
   91    HG3  PRO  10           2HG      PRO  10   4.231   1.621  -3.718
   92    HD2  PRO  10           1HD      PRO  10   2.353   0.635  -5.851
   93    HD3  PRO  10           2HD      PRO  10   2.626   0.010  -4.209
   94    H    TYR  11           H        TYR  11   1.208   5.642  -4.014
   95    HA   TYR  11           HA       TYR  11  -1.125   5.828  -5.513
   96    HB2  TYR  11           1HB      TYR  11   0.993   7.954  -5.096
   97    HB3  TYR  11           2HB      TYR  11  -0.661   8.252  -5.630
   98    HD1  TYR  11           HD2      TYR  11   1.475   7.248  -2.806
   99    HD2  TYR  11           HD1      TYR  11  -2.553   7.987  -4.101
  100    HE1  TYR  11           HE2      TYR  11   0.720   7.261  -0.445
  101    HE2  TYR  11           HE1      TYR  11  -3.310   8.000  -1.738
  102    HH   TYR  11           HH       TYR  11  -1.303   8.345   0.832
  103    H    ILE  12           H        ILE  12   2.238   6.356  -6.533
  104    HA   ILE  12           HA       ILE  12   1.538   6.884  -9.271
  105    HB   ILE  12           HB       ILE  12   3.630   7.729  -8.183
  106   HG12  ILE  12          1HG1      ILE  12   4.200   5.904 -10.534
  107   HG13  ILE  12          2HG1      ILE  12   3.324   7.426 -10.689
  108   HG21  ILE  12          1HG2      ILE  12   4.025   5.506  -6.980
  109   HG22  ILE  12          2HG2      ILE  12   5.445   6.249  -7.718
  110   HG23  ILE  12          3HG2      ILE  12   4.640   4.897  -8.517
  111   HD11  ILE  12          3HD1      ILE  12   5.225   8.675  -9.845
  112   HD12  ILE  12          1HD1      ILE  12   5.782   7.637 -11.159
  113   HD13  ILE  12          2HD1      ILE  12   6.094   7.183  -9.484
  114    H    LEU  13           H        LEU  13   1.857   4.104  -7.345
  115    HA   LEU  13           HA       LEU  13   1.788   1.858  -7.770
  116    HB2  LEU  13           1HB      LEU  13   0.714   2.843 -10.420
  117    HB3  LEU  13           2HB      LEU  13   0.744   1.153  -9.935
  118    HG   LEU  13           HG       LEU  13  -0.598   3.315  -8.290
  119   HD11  LEU  13          1HD1      LEU  13  -1.685   1.558 -10.498
  120   HD12  LEU  13          2HD1      LEU  13  -1.771   3.315 -10.367
  121   HD13  LEU  13          3HD1      LEU  13  -2.726   2.301  -9.284
  122   HD21  LEU  13          3HD2      LEU  13  -0.513   0.291  -8.221
  123   HD22  LEU  13          1HD2      LEU  13  -1.901   1.152  -7.561
  124   HD23  LEU  13          2HD2      LEU  13  -0.297   1.433  -6.896
  Start of MODEL   37
    1    H1   GLU   1           1H       GLU   1   0.402  -7.471   8.747
    2    H2   GLU   1           2H       GLU   1  -0.688  -6.183   8.942
    3    H3   GLU   1           3H       GLU   1   0.826  -5.915   8.219
    4    HA   GLU   1           HA       GLU   1   0.038  -6.403   6.220
    5    HB2  GLU   1           1HB      GLU   1  -0.936  -8.631   5.785
    6    HB3  GLU   1           2HB      GLU   1   0.494  -8.763   6.811
    7    HG2  GLU   1           1HG      GLU   1  -0.969  -8.848   8.811
    8    HG3  GLU   1           2HG      GLU   1  -2.388  -8.780   7.770
    9    H    LEU   2           H        LEU   2  -1.714  -5.394   8.667
   10    HA   LEU   2           HA       LEU   2  -4.402  -5.755   7.624
   11    HB2  LEU   2           1HB      LEU   2  -4.036  -5.689  10.043
   12    HB3  LEU   2           2HB      LEU   2  -3.344  -4.075   9.914
   13    HG   LEU   2           HG       LEU   2  -5.496  -3.203   9.090
   14   HD11  LEU   2          1HD1      LEU   2  -7.488  -4.897   9.412
   15   HD12  LEU   2          2HD1      LEU   2  -6.241  -6.122   9.184
   16   HD13  LEU   2          3HD1      LEU   2  -6.555  -4.934   7.918
   17   HD21  LEU   2          3HD2      LEU   2  -5.577  -4.831  11.643
   18   HD22  LEU   2          1HD2      LEU   2  -6.838  -3.679  11.200
   19   HD23  LEU   2          2HD2      LEU   2  -5.187  -3.120  11.470
   20    H    TYR   3           H        TYR   3  -2.919  -2.712   8.688
   21    HA   TYR   3           HA       TYR   3  -4.151  -1.338   6.407
   22    HB2  TYR   3           1HB      TYR   3  -4.461  -0.331   8.609
   23    HB3  TYR   3           2HB      TYR   3  -2.715  -0.261   8.850
   24    HD1  TYR   3           HD1      TYR   3  -5.526   1.026   6.789
   25    HD2  TYR   3           HD2      TYR   3  -1.381   1.457   7.835
   26    HE1  TYR   3           HE1      TYR   3  -5.446   3.191   5.584
   27    HE2  TYR   3           HE2      TYR   3  -1.301   3.619   6.626
   28    HH   TYR   3           HH       TYR   3  -3.019   5.423   5.982
   29    H    GLU   4           H        GLU   4  -1.386  -2.967   6.878
   30    HA   GLU   4           HA       GLU   4   0.489  -1.074   5.713
   31    HB2  GLU   4           1HB      GLU   4   0.705  -3.987   6.490
   32    HB3  GLU   4           2HB      GLU   4   2.029  -3.072   5.765
   33    HG2  GLU   4           1HG      GLU   4   1.985  -1.473   7.596
   34    HG3  GLU   4           2HG      GLU   4   0.574  -2.265   8.296
   35    H    ASN   5           H        ASN   5  -2.002  -2.129   4.294
   36    HA   ASN   5           HA       ASN   5  -0.729  -3.372   1.935
   37    HB2  ASN   5           1HB      ASN   5  -2.984  -3.947   1.229
   38    HB3  ASN   5           2HB      ASN   5  -2.717  -4.503   2.881
   39   HD21  ASN   5          2HD2      ASN   5  -5.355  -4.152   2.085
   40   HD22  ASN   5          1HD2      ASN   5  -6.012  -2.772   2.821
   41    H    LYS   6           H        LYS   6  -1.014  -0.393   2.978
   42    HA   LYS   6           HA       LYS   6  -2.255   0.815   0.618
   43    HB2  LYS   6           1HB      LYS   6  -1.197   1.919   3.216
   44    HB3  LYS   6           2HB      LYS   6  -1.614   2.969   1.868
   45    HG2  LYS   6           1HG      LYS   6  -3.597   0.889   2.778
   46    HG3  LYS   6           2HG      LYS   6  -3.431   2.377   3.704
   47    HD2  LYS   6           1HD      LYS   6  -3.777   3.649   1.527
   48    HD3  LYS   6           2HD      LYS   6  -4.204   2.107   0.786
   49    HE2  LYS   6           1HE      LYS   6  -6.034   1.805   2.362
   50    HE3  LYS   6           2HE      LYS   6  -5.557   3.260   3.239
   51    HZ1  LYS   6           3HZ      LYS   6  -6.830   4.415   1.868
   52    HZ2  LYS   6           1HZ      LYS   6  -7.194   3.034   0.960
   53    HZ3  LYS   6           2HZ      LYS   6  -5.830   3.969   0.568
   54    HA   PRO   7           HA       PRO   7   2.253   2.128  -0.010
   55    HB2  PRO   7           1HB      PRO   7   4.269   0.872   1.291
   56    HB3  PRO   7           2HB      PRO   7   3.330   2.172   2.049
   57    HG2  PRO   7           1HG      PRO   7   3.198  -0.761   2.502
   58    HG3  PRO   7           2HG      PRO   7   2.900   0.570   3.629
   59    HD2  PRO   7           1HD      PRO   7   0.926  -0.935   2.234
   60    HD3  PRO   7           2HD      PRO   7   0.651   0.550   3.167
   61    H    ARG   8           H        ARG   8   0.979  -0.874  -0.236
   62    HA   ARG   8           HA       ARG   8   3.083  -2.063  -1.917
   63    HB2  ARG   8           1HB      ARG   8   0.345  -3.073  -1.093
   64    HB3  ARG   8           2HB      ARG   8   1.455  -3.948  -2.144
   65    HG2  ARG   8           1HG      ARG   8   3.129  -4.037  -0.368
   66    HG3  ARG   8           2HG      ARG   8   2.098  -3.075   0.693
   67    HD2  ARG   8           1HD      ARG   8   1.837  -5.413   1.286
   68    HD3  ARG   8           2HD      ARG   8   0.353  -4.868   0.513
   69    HE   ARG   8           HE       ARG   8   2.183  -6.007  -1.376
   70   HH11  ARG   8          1HH2      ARG   8  -0.189  -6.670   1.049
   71   HH12  ARG   8          2HH2      ARG   8  -0.608  -8.228   0.417
   72   HH21  ARG   8          1HH1      ARG   8   1.637  -8.038  -2.226
   73   HH22  ARG   8          2HH1      ARG   8   0.420  -8.999  -1.454
   74    H    ARG   9           H        ARG   9   0.184  -0.304  -1.941
   75    HA   ARG   9           HA       ARG   9   0.071  -0.335  -4.902
   76    HB2  ARG   9           1HB      ARG   9  -2.202  -0.015  -2.922
   77    HB3  ARG   9           2HB      ARG   9  -2.350   0.151  -4.671
   78    HG2  ARG   9           1HG      ARG   9  -1.357  -2.359  -3.282
   79    HG3  ARG   9           2HG      ARG   9  -3.024  -2.117  -3.796
   80    HD2  ARG   9           1HD      ARG   9  -1.929  -1.596  -6.141
   81    HD3  ARG   9           2HD      ARG   9  -0.562  -2.488  -5.479
   82    HE   ARG   9           HE       ARG   9  -2.862  -4.016  -5.022
   83   HH11  ARG   9          1HH2      ARG   9  -0.991  -2.756  -7.643
   84   HH12  ARG   9          2HH2      ARG   9  -1.340  -4.073  -8.713
   85   HH21  ARG   9          1HH1      ARG   9  -3.328  -5.748  -6.412
   86   HH22  ARG   9          2HH1      ARG   9  -2.667  -5.774  -8.012
   87    HA   PRO  10           HA       PRO  10   0.946   3.828  -2.994
   88    HB2  PRO  10           1HB      PRO  10   3.134   4.503  -4.501
   89    HB3  PRO  10           2HB      PRO  10   3.241   3.540  -3.014
   90    HG2  PRO  10           1HG      PRO  10   3.257   2.629  -5.859
   91    HG3  PRO  10           2HG      PRO  10   4.246   2.080  -4.494
   92    HD2  PRO  10           1HD      PRO  10   2.054   0.701  -5.378
   93    HD3  PRO  10           2HD      PRO  10   2.592   0.676  -3.684
   94    H    TYR  11           H        TYR  11   0.758   5.979  -4.025
   95    HA   TYR  11           HA       TYR  11  -1.185   6.139  -6.009
   96    HB2  TYR  11           1HB      TYR  11  -0.675   8.028  -4.551
   97    HB3  TYR  11           2HB      TYR  11   0.933   8.170  -5.262
   98    HD1  TYR  11           HD1      TYR  11  -2.709   8.330  -6.084
   99    HD2  TYR  11           HD2      TYR  11   1.286   9.399  -7.256
  100    HE1  TYR  11           HE1      TYR  11  -3.620   9.780  -7.879
  101    HE2  TYR  11           HE2      TYR  11   0.373  10.845  -9.051
  102    HH   TYR  11           HH       TYR  11  -2.035  10.792 -10.419
  103    H    ILE  12           H        ILE  12   2.353   6.317  -6.294
  104    HA   ILE  12           HA       ILE  12   2.328   6.736  -9.127
  105    HB   ILE  12           HB       ILE  12   4.756   6.197  -8.982
  106   HG12  ILE  12          1HG1      ILE  12   4.262   5.884  -6.011
  107   HG13  ILE  12          2HG1      ILE  12   4.434   4.508  -7.099
  108   HG21  ILE  12          1HG2      ILE  12   3.580   8.132  -6.973
  109   HG22  ILE  12          2HG2      ILE  12   4.144   8.484  -8.607
  110   HG23  ILE  12          3HG2      ILE  12   5.301   8.062  -7.348
  111   HD11  ILE  12          3HD1      ILE  12   6.493   6.706  -6.748
  112   HD12  ILE  12          1HD1      ILE  12   6.659   5.278  -7.766
  113   HD13  ILE  12          2HD1      ILE  12   6.588   5.107  -6.013
  114    H    LEU  13           H        LEU  13   1.974   4.016  -7.084
  115    HA   LEU  13           HA       LEU  13   1.773   1.779  -7.454
  116    HB2  LEU  13           1HB      LEU  13  -0.046   2.399  -8.876
  117    HB3  LEU  13           2HB      LEU  13   1.042   2.811 -10.200
  118    HG   LEU  13           HG       LEU  13   1.714   0.457 -10.412
  119   HD11  LEU  13          1HD1      LEU  13   0.305  -1.215  -9.021
  120   HD12  LEU  13          2HD1      LEU  13  -0.023   0.152  -7.957
  121   HD13  LEU  13          3HD1      LEU  13   1.635  -0.398  -8.203
  122   HD21  LEU  13          3HD2      LEU  13  -0.369  -0.416 -11.264
  123   HD22  LEU  13          1HD2      LEU  13  -0.372   1.325 -11.536
  124   HD23  LEU  13          2HD2      LEU  13  -1.302   0.639 -10.204
  Start of MODEL   38
    1    H1   GLU   1           1H       GLU   1  -1.311  -4.721  11.419
    2    H2   GLU   1           2H       GLU   1  -0.311  -3.762  10.436
    3    H3   GLU   1           3H       GLU   1   0.375  -4.831  11.564
    4    HA   GLU   1           HA       GLU   1   0.244  -5.457   9.051
    5    HB2  GLU   1           1HB      GLU   1   0.216  -7.820   9.734
    6    HB3  GLU   1           2HB      GLU   1   1.168  -6.859  10.864
    7    HG2  GLU   1           1HG      GLU   1  -0.837  -6.700  12.349
    8    HG3  GLU   1           2HG      GLU   1  -1.696  -7.779  11.250
    9    H    LEU   2           H        LEU   2  -2.304  -4.107   9.730
   10    HA   LEU   2           HA       LEU   2  -4.313  -6.101   8.876
   11    HB2  LEU   2           1HB      LEU   2  -4.476  -3.367  10.143
   12    HB3  LEU   2           2HB      LEU   2  -5.874  -4.066   9.328
   13    HG   LEU   2           HG       LEU   2  -5.673  -6.080  10.786
   14   HD11  LEU   2          1HD1      LEU   2  -4.222  -5.679  12.889
   15   HD12  LEU   2          2HD1      LEU   2  -3.401  -4.449  11.928
   16   HD13  LEU   2          3HD1      LEU   2  -3.388  -6.132  11.405
   17   HD21  LEU   2          3HD2      LEU   2  -6.584  -5.021  12.773
   18   HD22  LEU   2          1HD2      LEU   2  -7.130  -4.115  11.361
   19   HD23  LEU   2          2HD2      LEU   2  -5.816  -3.488  12.357
   20    H    TYR   3           H        TYR   3  -4.152  -2.623   8.229
   21    HA   TYR   3           HA       TYR   3  -4.607  -3.167   5.365
   22    HB2  TYR   3           1HB      TYR   3  -6.131  -1.606   6.652
   23    HB3  TYR   3           2HB      TYR   3  -4.760  -0.507   6.798
   24    HD1  TYR   3           HD1      TYR   3  -6.846  -2.350   4.312
   25    HD2  TYR   3           HD2      TYR   3  -4.169   0.939   5.008
   26    HE1  TYR   3           HE1      TYR   3  -7.300  -1.496   2.029
   27    HE2  TYR   3           HE2      TYR   3  -4.621   1.786   2.721
   28    HH   TYR   3           HH       TYR   3  -5.753   1.493   0.843
   29    H    GLU   4           H        GLU   4  -2.099  -3.803   6.096
   30    HA   GLU   4           HA       GLU   4  -0.308  -1.545   5.702
   31    HB2  GLU   4           1HB      GLU   4   1.471  -3.187   6.014
   32    HB3  GLU   4           2HB      GLU   4   0.261  -3.358   7.286
   33    HG2  GLU   4           1HG      GLU   4  -0.777  -5.228   6.046
   34    HG3  GLU   4           2HG      GLU   4   0.454  -5.074   4.790
   35    H    ASN   5           H        ASN   5  -2.229  -2.423   3.597
   36    HA   ASN   5           HA       ASN   5  -0.442  -3.361   1.455
   37    HB2  ASN   5           1HB      ASN   5  -3.434  -2.921   1.558
   38    HB3  ASN   5           2HB      ASN   5  -2.559  -3.466   0.129
   39   HD21  ASN   5          2HD2      ASN   5  -0.704  -4.958   2.222
   40   HD22  ASN   5          1HD2      ASN   5  -1.578  -6.381   2.524
   41    H    LYS   6           H        LYS   6  -0.147  -0.697   2.625
   42    HA   LYS   6           HA       LYS   6  -1.218   1.146   0.648
   43    HB2  LYS   6           1HB      LYS   6   0.404   1.444   3.165
   44    HB3  LYS   6           2HB      LYS   6   0.295   2.783   2.029
   45    HG2  LYS   6           1HG      LYS   6  -2.297   1.463   2.722
   46    HG3  LYS   6           2HG      LYS   6  -1.524   2.342   4.036
   47    HD2  LYS   6           1HD      LYS   6  -1.779   3.654   1.331
   48    HD3  LYS   6           2HD      LYS   6  -3.172   3.608   2.412
   49    HE2  LYS   6           1HE      LYS   6  -1.989   4.792   4.133
   50    HE3  LYS   6           2HE      LYS   6  -0.453   4.624   3.280
   51    HZ1  LYS   6           3HZ      LYS   6  -1.076   6.735   2.708
   52    HZ2  LYS   6           1HZ      LYS   6  -2.733   6.377   2.685
   53    HZ3  LYS   6           2HZ      LYS   6  -1.737   5.860   1.410
   54    HA   PRO   7           HA       PRO   7   3.279   1.231  -0.733
   55    HB2  PRO   7           1HB      PRO   7   5.106  -0.516   0.202
   56    HB3  PRO   7           2HB      PRO   7   4.596   0.888   1.163
   57    HG2  PRO   7           1HG      PRO   7   3.865  -1.979   1.470
   58    HG3  PRO   7           2HG      PRO   7   4.032  -0.719   2.704
   59    HD2  PRO   7           1HD      PRO   7   1.591  -1.623   1.504
   60    HD3  PRO   7           2HD      PRO   7   1.791  -0.241   2.596
   61    H    ARG   8           H        ARG   8   1.314  -1.384  -0.799
   62    HA   ARG   8           HA       ARG   8   2.803  -2.945  -2.791
   63    HB2  ARG   8           1HB      ARG   8   0.080  -3.310  -1.520
   64    HB3  ARG   8           2HB      ARG   8   0.728  -4.368  -2.775
   65    HG2  ARG   8           1HG      ARG   8   2.653  -4.915  -1.348
   66    HG3  ARG   8           2HG      ARG   8   2.056  -3.819  -0.103
   67    HD2  ARG   8           1HD      ARG   8   1.439  -6.111   0.464
   68    HD3  ARG   8           2HD      ARG   8  -0.008  -5.184   0.083
   69    HE   ARG   8           HE       ARG   8  -0.310  -6.491  -1.824
   70   HH11  ARG   8          1HH2      ARG   8   2.812  -7.004  -0.416
   71   HH12  ARG   8          2HH2      ARG   8   3.158  -8.409  -1.367
   72   HH21  ARG   8          1HH1      ARG   8   0.138  -8.332  -3.065
   73   HH22  ARG   8          2HH1      ARG   8   1.644  -9.162  -2.867
   74    H    ARG   9           H        ARG   9   0.312  -0.632  -2.378
   75    HA   ARG   9           HA       ARG   9  -0.070  -0.435  -5.312
   76    HB2  ARG   9           1HB      ARG   9  -2.110  -0.038  -3.105
   77    HB3  ARG   9           2HB      ARG   9  -2.367   0.426  -4.788
   78    HG2  ARG   9           1HG      ARG   9  -2.090  -1.877  -5.518
   79    HG3  ARG   9           2HG      ARG   9  -1.676  -2.382  -3.881
   80    HD2  ARG   9           1HD      ARG   9  -4.308  -1.060  -4.549
   81    HD3  ARG   9           2HD      ARG   9  -4.088  -2.805  -4.610
   82    HE   ARG   9           HE       ARG   9  -3.192  -2.173  -2.124
   83   HH11  ARG   9          1HH2      ARG   9  -6.037  -1.404  -3.936
   84   HH12  ARG   9          2HH2      ARG   9  -7.070  -1.327  -2.549
   85   HH21  ARG   9          1HH1      ARG   9  -4.542  -2.067  -0.293
   86   HH22  ARG   9          2HH1      ARG   9  -6.221  -1.690  -0.485
   87    HA   PRO  10           HA       PRO  10   1.772   3.349  -3.400
   88    HB2  PRO  10           1HB      PRO  10   3.101   3.604  -6.057
   89    HB3  PRO  10           2HB      PRO  10   3.820   3.619  -4.434
   90    HG2  PRO  10           1HG      PRO  10   4.111   1.533  -6.091
   91    HG3  PRO  10           2HG      PRO  10   3.967   1.320  -4.334
   92    HD2  PRO  10           1HD      PRO  10   1.872   0.917  -6.459
   93    HD3  PRO  10           2HD      PRO  10   2.218  -0.059  -5.016
   94    H    TYR  11           H        TYR  11   1.122   5.513  -3.726
   95    HA   TYR  11           HA       TYR  11  -1.202   5.986  -5.248
   96    HB2  TYR  11           1HB      TYR  11   0.818   7.875  -4.026
   97    HB3  TYR  11           2HB      TYR  11  -0.665   8.424  -4.809
   98    HD1  TYR  11           HD1      TYR  11  -2.894   7.673  -3.922
   99    HD2  TYR  11           HD2      TYR  11   0.785   6.913  -1.839
  100    HE1  TYR  11           HE1      TYR  11  -4.168   7.198  -1.848
  101    HE2  TYR  11           HE2      TYR  11  -0.488   6.438   0.234
  102    HH   TYR  11           HH       TYR  11  -3.317   7.358   0.907
  103    H    ILE  12           H        ILE  12   2.215   6.666  -5.871
  104    HA   ILE  12           HA       ILE  12   1.711   7.899  -8.427
  105    HB   ILE  12           HB       ILE  12   4.170   7.834  -8.668
  106   HG12  ILE  12          1HG1      ILE  12   4.160   6.437  -5.973
  107   HG13  ILE  12          2HG1      ILE  12   4.464   5.610  -7.501
  108   HG21  ILE  12          1HG2      ILE  12   3.424   8.639  -5.849
  109   HG22  ILE  12          2HG2      ILE  12   2.935   9.569  -7.266
  110   HG23  ILE  12          3HG2      ILE  12   4.646   9.367  -6.891
  111   HD11  ILE  12          3HD1      ILE  12   6.598   6.200  -6.502
  112   HD12  ILE  12          1HD1      ILE  12   6.089   7.880  -6.326
  113   HD13  ILE  12          2HD1      ILE  12   6.344   7.199  -7.933
  114    H    LEU  13           H        LEU  13   1.840   4.742  -7.236
  115    HA   LEU  13           HA       LEU  13   1.786   2.673  -8.198
  116    HB2  LEU  13           1HB      LEU  13  -0.110   3.558  -9.400
  117    HB3  LEU  13           2HB      LEU  13   0.943   4.316 -10.592
  118    HG   LEU  13           HG       LEU  13   1.729   2.105 -11.330
  119   HD11  LEU  13          1HD1      LEU  13   0.068   1.195  -8.987
  120   HD12  LEU  13          2HD1      LEU  13   1.686   0.690  -9.469
  121   HD13  LEU  13          3HD1      LEU  13   0.283   0.121 -10.370
  122   HD21  LEU  13          3HD2      LEU  13  -1.261   2.539 -11.185
  123   HD22  LEU  13          1HD2      LEU  13  -0.549   1.220 -12.115
  124   HD23  LEU  13          2HD2      LEU  13  -0.173   2.892 -12.527
  Start of MODEL   39
    1    H1   GLU   1           1H       GLU   1  -0.494  -7.723   8.204
    2    H2   GLU   1           2H       GLU   1   0.350  -8.525   6.969
    3    H3   GLU   1           3H       GLU   1  -1.286  -8.886   7.258
    4    HA   GLU   1           HA       GLU   1  -0.189  -6.331   6.221
    5    HB2  GLU   1           1HB      GLU   1  -1.862  -8.547   5.004
    6    HB3  GLU   1           2HB      GLU   1  -1.672  -6.961   4.259
    7    HG2  GLU   1           1HG      GLU   1   0.009  -8.216   3.214
    8    HG3  GLU   1           2HG      GLU   1   0.893  -7.412   4.502
    9    H    LEU   2           H        LEU   2  -1.268  -5.509   8.273
   10    HA   LEU   2           HA       LEU   2  -4.177  -5.525   8.282
   11    HB2  LEU   2           1HB      LEU   2  -2.191  -3.954   9.951
   12    HB3  LEU   2           2HB      LEU   2  -3.927  -4.026  10.231
   13    HG   LEU   2           HG       LEU   2  -2.076  -6.431  10.244
   14   HD11  LEU   2          1HD1      LEU   2  -1.553  -5.046  12.147
   15   HD12  LEU   2          2HD1      LEU   2  -2.551  -6.382  12.724
   16   HD13  LEU   2          3HD1      LEU   2  -3.262  -4.785  12.495
   17   HD21  LEU   2          3HD2      LEU   2  -4.216  -7.331  11.517
   18   HD22  LEU   2          1HD2      LEU   2  -4.190  -7.310   9.757
   19   HD23  LEU   2          2HD2      LEU   2  -5.041  -6.043  10.640
   20    H    TYR   3           H        TYR   3  -2.109  -2.690   8.684
   21    HA   TYR   3           HA       TYR   3  -3.711  -1.254   6.645
   22    HB2  TYR   3           1HB      TYR   3  -3.716  -0.323   8.969
   23    HB3  TYR   3           2HB      TYR   3  -1.970  -0.096   8.845
   24    HD1  TYR   3           HD1      TYR   3  -5.242   0.874   7.363
   25    HD2  TYR   3           HD2      TYR   3  -1.042   1.738   7.619
   26    HE1  TYR   3           HE1      TYR   3  -5.608   3.011   6.159
   27    HE2  TYR   3           HE2      TYR   3  -1.409   3.871   6.411
   28    HH   TYR   3           HH       TYR   3  -4.294   5.324   6.084
   29    H    GLU   4           H        GLU   4  -1.112  -3.029   6.637
   30    HA   GLU   4           HA       GLU   4   0.832  -1.203   5.473
   31    HB2  GLU   4           1HB      GLU   4   0.815  -4.192   5.918
   32    HB3  GLU   4           2HB      GLU   4   2.168  -3.314   5.200
   33    HG2  GLU   4           1HG      GLU   4   2.375  -1.935   7.212
   34    HG3  GLU   4           2HG      GLU   4   0.972  -2.731   7.921
   35    H    ASN   5           H        ASN   5  -1.932  -2.178   4.296
   36    HA   ASN   5           HA       ASN   5  -0.989  -3.163   1.688
   37    HB2  ASN   5           1HB      ASN   5  -3.379  -3.494   1.206
   38    HB3  ASN   5           2HB      ASN   5  -2.907  -4.306   2.698
   39   HD21  ASN   5          2HD2      ASN   5  -5.177  -4.171   3.450
   40   HD22  ASN   5          1HD2      ASN   5  -5.800  -2.700   4.025
   41    H    LYS   6           H        LYS   6  -1.153  -0.268   3.102
   42    HA   LYS   6           HA       LYS   6  -2.499   1.195   0.959
   43    HB2  LYS   6           1HB      LYS   6  -1.779   1.720   3.713
   44    HB3  LYS   6           2HB      LYS   6  -1.090   2.986   2.706
   45    HG2  LYS   6           1HG      LYS   6  -3.987   2.141   2.420
   46    HG3  LYS   6           2HG      LYS   6  -3.485   3.346   3.600
   47    HD2  LYS   6           1HD      LYS   6  -2.629   4.799   1.897
   48    HD3  LYS   6           2HD      LYS   6  -2.781   3.546   0.666
   49    HE2  LYS   6           1HE      LYS   6  -5.094   4.802   2.168
   50    HE3  LYS   6           2HE      LYS   6  -4.629   5.189   0.512
   51    HZ1  LYS   6           3HZ      LYS   6  -4.823   2.606   0.249
   52    HZ2  LYS   6           1HZ      LYS   6  -6.197   3.598   0.140
   53    HZ3  LYS   6           2HZ      LYS   6  -5.868   2.759   1.581
   54    HA   PRO   7           HA       PRO   7   1.912   2.535   0.003
   55    HB2  PRO   7           1HB      PRO   7   4.032   1.717   1.437
   56    HB3  PRO   7           2HB      PRO   7   2.937   2.968   2.059
   57    HG2  PRO   7           1HG      PRO   7   3.082   0.068   2.755
   58    HG3  PRO   7           2HG      PRO   7   2.800   1.463   3.810
   59    HD2  PRO   7           1HD      PRO   7   0.786  -0.200   2.775
   60    HD3  PRO   7           2HD      PRO   7   0.524   1.433   3.422
   61    H    ARG   8           H        ARG   8   0.762  -0.423   0.060
   62    HA   ARG   8           HA       ARG   8   2.970  -1.853  -1.249
   63    HB2  ARG   8           1HB      ARG   8   1.403  -3.055   0.319
   64    HB3  ARG   8           2HB      ARG   8   0.099  -2.706  -0.820
   65    HG2  ARG   8           1HG      ARG   8   1.222  -3.945  -2.578
   66    HG3  ARG   8           2HG      ARG   8   2.621  -4.223  -1.539
   67    HD2  ARG   8           1HD      ARG   8  -0.181  -5.180  -0.902
   68    HD3  ARG   8           2HD      ARG   8   1.049  -6.181  -1.667
   69    HE   ARG   8           HE       ARG   8   0.932  -5.406   1.122
   70   HH11  ARG   8          1HH2      ARG   8   2.911  -6.447  -1.522
   71   HH12  ARG   8          2HH2      ARG   8   4.117  -7.168  -0.509
   72   HH21  ARG   8          1HH1      ARG   8   2.497  -6.349   2.450
   73   HH22  ARG   8          2HH1      ARG   8   3.887  -7.108   1.747
   74    H    ARG   9           H        ARG   9  -0.003  -0.211  -1.767
   75    HA   ARG   9           HA       ARG   9   0.296  -0.439  -4.697
   76    HB2  ARG   9           1HB      ARG   9  -1.731  -1.617  -3.863
   77    HB3  ARG   9           2HB      ARG   9  -2.283  -0.103  -3.145
   78    HG2  ARG   9           1HG      ARG   9  -2.236   0.954  -5.397
   79    HG3  ARG   9           2HG      ARG   9  -1.752  -0.594  -6.091
   80    HD2  ARG   9           1HD      ARG   9  -4.138  -0.406  -6.361
   81    HD3  ARG   9           2HD      ARG   9  -3.841  -1.602  -5.102
   82    HE   ARG   9           HE       ARG   9  -4.161   0.993  -3.965
   83   HH11  ARG   9          1HH2      ARG   9  -5.870  -1.608  -5.477
   84   HH12  ARG   9          2HH2      ARG   9  -7.355  -1.300  -4.642
   85   HH21  ARG   9          1HH1      ARG   9  -6.105   1.405  -2.870
   86   HH22  ARG   9          2HH1      ARG   9  -7.487   0.400  -3.157
   87    HA   PRO  10           HA       PRO  10   0.628   3.902  -3.102
   88    HB2  PRO  10           1HB      PRO  10   2.907   4.644  -4.408
   89    HB3  PRO  10           2HB      PRO  10   2.931   3.754  -2.871
   90    HG2  PRO  10           1HG      PRO  10   3.297   2.733  -5.654
   91    HG3  PRO  10           2HG      PRO  10   4.171   2.303  -4.171
   92    HD2  PRO  10           1HD      PRO  10   2.148   0.766  -5.232
   93    HD3  PRO  10           2HD      PRO  10   2.552   0.790  -3.501
   94    H    TYR  11           H        TYR  11   0.357   5.945  -4.281
   95    HA   TYR  11           HA       TYR  11  -1.350   5.838  -6.466
   96    HB2  TYR  11           1HB      TYR  11   0.556   8.083  -5.743
   97    HB3  TYR  11           2HB      TYR  11  -0.884   8.232  -6.751
   98    HD1  TYR  11           HD1      TYR  11  -3.139   8.013  -5.779
   99    HD2  TYR  11           HD2      TYR  11   0.388   7.822  -3.337
  100    HE1  TYR  11           HE1      TYR  11  -4.528   8.340  -3.751
  101    HE2  TYR  11           HE2      TYR  11  -0.999   8.146  -1.306
  102    HH   TYR  11           HH       TYR  11  -3.735   7.593  -0.844
  103    H    ILE  12           H        ILE  12   2.169   6.224  -6.362
  104    HA   ILE  12           HA       ILE  12   2.579   6.555  -9.149
  105    HB   ILE  12           HB       ILE  12   4.379   5.490  -6.957
  106   HG12  ILE  12          1HG1      ILE  12   4.465   8.138  -8.426
  107   HG13  ILE  12          2HG1      ILE  12   3.565   7.915  -6.924
  108   HG21  ILE  12          1HG2      ILE  12   6.192   6.094  -8.689
  109   HG22  ILE  12          2HG2      ILE  12   4.895   6.045  -9.885
  110   HG23  ILE  12          3HG2      ILE  12   5.296   4.599  -8.959
  111   HD11  ILE  12          3HD1      ILE  12   6.493   7.197  -7.180
  112   HD12  ILE  12          1HD1      ILE  12   5.546   7.387  -5.703
  113   HD13  ILE  12          2HD1      ILE  12   5.953   8.799  -6.679
  114    H    LEU  13           H        LEU  13   2.524   3.734  -7.022
  115    HA   LEU  13           HA       LEU  13   2.109   1.525  -7.426
  116    HB2  LEU  13           1HB      LEU  13   0.437   2.454  -9.110
  117    HB3  LEU  13           2HB      LEU  13   1.671   2.176 -10.333
  118    HG   LEU  13           HG       LEU  13   1.776  -0.242  -9.379
  119   HD11  LEU  13          1HD1      LEU  13  -0.856   0.754  -8.251
  120   HD12  LEU  13          2HD1      LEU  13   0.453  -0.040  -7.379
  121   HD13  LEU  13          3HD1      LEU  13  -0.521  -0.954  -8.524
  122   HD21  LEU  13          3HD2      LEU  13   0.924   0.177 -11.595
  123   HD22  LEU  13          1HD2      LEU  13  -0.575   0.848 -10.948
  124   HD23  LEU  13          2HD2      LEU  13  -0.238  -0.876 -10.787
  Start of MODEL   40
    1    H1   GLU   1           1H       GLU   1   0.592  -4.949   8.084
    2    H2   GLU   1           2H       GLU   1   1.560  -6.052   7.225
    3    H3   GLU   1           3H       GLU   1   2.119  -5.381   8.682
    4    HA   GLU   1           HA       GLU   1   0.781  -7.765   8.359
    5    HB2  GLU   1           1HB      GLU   1   2.440  -7.054  10.125
    6    HB3  GLU   1           2HB      GLU   1   1.142  -6.143  10.895
    7    HG2  GLU   1           1HG      GLU   1   1.259  -8.280  11.997
    8    HG3  GLU   1           2HG      GLU   1  -0.191  -8.288  10.993
    9    H    LEU   2           H        LEU   2  -0.458  -4.600   9.199
   10    HA   LEU   2           HA       LEU   2  -3.122  -5.707   9.836
   11    HB2  LEU   2           1HB      LEU   2  -1.948  -2.932  10.135
   12    HB3  LEU   2           2HB      LEU   2  -3.620  -3.340  10.507
   13    HG   LEU   2           HG       LEU   2  -1.226  -4.711  11.771
   14   HD11  LEU   2          1HD1      LEU   2  -1.301  -2.319  12.368
   15   HD12  LEU   2          2HD1      LEU   2  -1.711  -3.328  13.755
   16   HD13  LEU   2          3HD1      LEU   2  -2.983  -2.493  12.865
   17   HD21  LEU   2          3HD2      LEU   2  -4.218  -4.892  12.114
   18   HD22  LEU   2          1HD2      LEU   2  -3.180  -5.170  13.512
   19   HD23  LEU   2          2HD2      LEU   2  -3.019  -6.184  12.085
   20    H    TYR   3           H        TYR   3  -2.832  -2.510   8.592
   21    HA   TYR   3           HA       TYR   3  -4.312  -3.312   6.158
   22    HB2  TYR   3           1HB      TYR   3  -5.157  -1.061   6.082
   23    HB3  TYR   3           2HB      TYR   3  -5.357  -1.645   7.731
   24    HD1  TYR   3           HD2      TYR   3  -3.478  -1.068   9.434
   25    HD2  TYR   3           HD1      TYR   3  -3.979   0.938   5.669
   26    HE1  TYR   3           HE2      TYR   3  -2.136   0.841  10.270
   27    HE2  TYR   3           HE1      TYR   3  -2.639   2.845   6.503
   28    HH   TYR   3           HH       TYR   3  -2.144   3.782   9.018
   29    H    GLU   4           H        GLU   4  -1.856  -4.001   5.784
   30    HA   GLU   4           HA       GLU   4  -0.173  -1.840   4.831
   31    HB2  GLU   4           1HB      GLU   4   1.398  -3.651   4.267
   32    HB3  GLU   4           2HB      GLU   4   0.820  -3.796   5.928
   33    HG2  GLU   4           1HG      GLU   4  -0.853  -5.461   5.200
   34    HG3  GLU   4           2HG      GLU   4  -0.264  -5.330   3.544
   35    H    ASN   5           H        ASN   5  -2.759  -2.142   3.527
   36    HA   ASN   5           HA       ASN   5  -2.016  -3.083   0.824
   37    HB2  ASN   5           1HB      ASN   5  -4.388  -3.024   0.336
   38    HB3  ASN   5           2HB      ASN   5  -4.135  -3.925   1.828
   39   HD21  ASN   5          2HD2      ASN   5  -6.602  -3.162   1.912
   40   HD22  ASN   5          1HD2      ASN   5  -6.872  -1.703   2.736
   41    H    LYS   6           H        LYS   6  -1.734  -0.338   2.548
   42    HA   LYS   6           HA       LYS   6  -2.776   1.523   0.560
   43    HB2  LYS   6           1HB      LYS   6  -2.181   1.654   3.341
   44    HB3  LYS   6           2HB      LYS   6  -1.083   2.788   2.563
   45    HG2  LYS   6           1HG      LYS   6  -3.074   3.765   1.356
   46    HG3  LYS   6           2HG      LYS   6  -4.107   2.734   2.346
   47    HD2  LYS   6           1HD      LYS   6  -3.099   3.763   4.391
   48    HD3  LYS   6           2HD      LYS   6  -2.191   4.859   3.351
   49    HE2  LYS   6           1HE      LYS   6  -4.151   6.059   4.009
   50    HE3  LYS   6           2HE      LYS   6  -4.429   5.552   2.344
   51    HZ1  LYS   6           3HZ      LYS   6  -6.161   4.346   2.972
   52    HZ2  LYS   6           1HZ      LYS   6  -6.023   5.018   4.523
   53    HZ3  LYS   6           2HZ      LYS   6  -5.258   3.544   4.167
   54    HA   PRO   7           HA       PRO   7   1.830   2.158  -0.211
   55    HB2  PRO   7           1HB      PRO   7   3.727   0.808   1.146
   56    HB3  PRO   7           2HB      PRO   7   2.861   2.172   1.885
   57    HG2  PRO   7           1HG      PRO   7   2.494  -0.755   2.310
   58    HG3  PRO   7           2HG      PRO   7   2.355   0.579   3.470
   59    HD2  PRO   7           1HD      PRO   7   0.198  -0.686   2.134
   60    HD3  PRO   7           2HD      PRO   7   0.112   0.849   3.024
   61    H    ARG   8           H        ARG   8   0.177  -0.522  -0.527
   62    HA   ARG   8           HA       ARG   8   2.145  -2.162  -1.971
   63    HB2  ARG   8           1HB      ARG   8   0.266  -3.122  -0.484
   64    HB3  ARG   8           2HB      ARG   8  -0.835  -2.634  -1.777
   65    HG2  ARG   8           1HG      ARG   8   0.393  -4.006  -3.384
   66    HG3  ARG   8           2HG      ARG   8   1.573  -4.444  -2.147
   67    HD2  ARG   8           1HD      ARG   8  -0.042  -6.250  -2.371
   68    HD3  ARG   8           2HD      ARG   8  -0.266  -5.466  -0.811
   69    HE   ARG   8           HE       ARG   8  -1.973  -4.264  -2.729
   70   HH11  ARG   8          1HH2      ARG   8  -1.478  -7.179  -0.934
   71   HH12  ARG   8          2HH2      ARG   8  -3.157  -7.603  -0.890
   72   HH21  ARG   8          1HH1      ARG   8  -4.181  -4.808  -2.669
   73   HH22  ARG   8          2HH1      ARG   8  -4.687  -6.261  -1.872
   74    H    ARG   9           H        ARG   9  -0.523  -0.014  -2.317
   75    HA   ARG   9           HA       ARG   9  -0.192   0.036  -5.257
   76    HB2  ARG   9           1HB      ARG   9  -2.717   0.426  -3.630
   77    HB3  ARG   9           2HB      ARG   9  -2.586   0.690  -5.371
   78    HG2  ARG   9           1HG      ARG   9  -2.189  -1.600  -5.811
   79    HG3  ARG   9           2HG      ARG   9  -1.787  -1.945  -4.129
   80    HD2  ARG   9           1HD      ARG   9  -4.144  -2.633  -5.037
   81    HD3  ARG   9           2HD      ARG   9  -4.020  -1.891  -3.444
   82    HE   ARG   9           HE       ARG   9  -4.384   0.201  -5.234
   83   HH11  ARG   9          1HH2      ARG   9  -6.022  -2.682  -4.248
   84   HH12  ARG   9          2HH2      ARG   9  -7.607  -2.058  -4.566
   85   HH21  ARG   9          1HH1      ARG   9  -6.459   1.028  -5.655
   86   HH22  ARG   9          2HH1      ARG   9  -7.855   0.043  -5.364
   87    HA   PRO  10           HA       PRO  10   0.565   4.140  -3.063
   88    HB2  PRO  10           1HB      PRO  10   3.105   4.601  -3.977
   89    HB3  PRO  10           2HB      PRO  10   2.766   3.662  -2.508
   90    HG2  PRO  10           1HG      PRO  10   3.334   2.681  -5.279
   91    HG3  PRO  10           2HG      PRO  10   4.000   2.120  -3.733
   92    HD2  PRO  10           1HD      PRO  10   1.982   0.793  -4.955
   93    HD3  PRO  10           2HD      PRO  10   2.076   0.924  -3.182
   94    H    TYR  11           H        TYR  11   0.890   6.278  -4.144
   95    HA   TYR  11           HA       TYR  11  -0.516   6.592  -6.499
   96    HB2  TYR  11           1HB      TYR  11   0.674   8.805  -6.694
   97    HB3  TYR  11           2HB      TYR  11  -0.044   8.504  -5.111
   98    HD1  TYR  11           HD2      TYR  11   1.351   7.943  -3.174
   99    HD2  TYR  11           HD1      TYR  11   3.093   8.788  -7.008
  100    HE1  TYR  11           HE2      TYR  11   3.576   8.189  -2.108
  101    HE2  TYR  11           HE1      TYR  11   5.319   9.038  -5.942
  102    HH   TYR  11           HH       TYR  11   5.717   8.666  -2.414
  103    H    ILE  12           H        ILE  12   3.018   6.341  -6.099
  104    HA   ILE  12           HA       ILE  12   3.580   6.477  -8.886
  105    HB   ILE  12           HB       ILE  12   5.243   6.978  -7.073
  106   HG12  ILE  12          1HG1      ILE  12   6.151   4.771  -8.942
  107   HG13  ILE  12          2HG1      ILE  12   5.834   6.420  -9.484
  108   HG21  ILE  12          1HG2      ILE  12   6.309   5.190  -5.893
  109   HG22  ILE  12          2HG2      ILE  12   5.511   3.970  -6.887
  110   HG23  ILE  12          3HG2      ILE  12   4.577   4.914  -5.732
  111   HD11  ILE  12          3HD1      ILE  12   7.775   5.713  -7.267
  112   HD12  ILE  12          1HD1      ILE  12   7.538   7.299  -8.002
  113   HD13  ILE  12          2HD1      ILE  12   8.249   5.988  -8.942
  114    H    LEU  13           H        LEU  13   2.559   3.959  -6.769
  115    HA   LEU  13           HA       LEU  13   2.076   1.742  -7.082
  116    HB2  LEU  13           1HB      LEU  13   2.189   2.518 -10.005
  117    HB3  LEU  13           2HB      LEU  13   1.615   0.973  -9.399
  118    HG   LEU  13           HG       LEU  13   0.429   3.623  -8.539
  119   HD11  LEU  13          1HD1      LEU  13  -0.372   1.749 -10.779
  120   HD12  LEU  13          2HD1      LEU  13   0.075   3.449 -10.918
  121   HD13  LEU  13          3HD1      LEU  13  -1.435   2.996 -10.126
  122   HD21  LEU  13          3HD2      LEU  13  -0.321   0.711  -8.190
  123   HD22  LEU  13          1HD2      LEU  13  -1.550   1.971  -8.102
  124   HD23  LEU  13          2HD2      LEU  13  -0.211   1.970  -6.964