*HEADER    METAL BINDING PROTEIN                   05-NOV-15   2N94              
*TITLE     NMR STRUCTURE OF YEAST BCD1 PROTEIN ZINC FINGER                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BOX C/D SNORNA PROTEIN 1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (UNP RESIDUES 1-45);                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 559292;                                              
*SOURCE   5 STRAIN: ATCC 204508 / S288C;                                         
*SOURCE   6 GENE: BCD1, YHR040W;                                                 
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PNEA-3CH                                  
*KEYWDS    BCD1, ZINC FINGER, METAL BINDING PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.BRAGANTINI, M.QUINTERNET, X.MANIVAL                                 
*REVDAT   1   11-MAY-16 2N94    0                                                




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assign (resid   14 and name HD*  ) (resid   15 and name HE*  )    3.62    3.62    0.00
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assign (resid   15 and name HE*  ) (resid   26 and name HA   )    2.99    2.99    0.00
assign (resid   43 and name HA   ) (resid   43 and name HG2* )    2.96    2.96    0.00
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assign (resid    7 and name HG1* ) (resid   32 and name HB2  )    3.49    3.49    0.00
assign (resid    7 and name HG1* ) (resid   32 and name HB1  )    3.13    3.13    0.00
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assign (resid   27 and name HB1  ) (resid   27 and name HD2* )    3.72    3.72    0.00
assign (resid   21 and name HB2  ) (resid   21 and name HD1* )    3.02    3.02    0.00
assign (resid   19 and name HB2  ) (resid   19 and name HD1  )    4.04    4.04    0.00
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assign (resid   24 and name HG2* ) (resid   29 and name HB2  )    3.32    3.32    0.00
assign (resid   17 and name HA   ) (resid   18 and name HD*  )    2.96    2.96    0.00
assign (resid   24 and name HB   ) (resid   29 and name HB1  )    3.37    3.37    0.00
assign (resid   16 and name HB*  ) (resid   16 and name HE*  )    3.67    3.67    0.00
assign (resid   36 and name HB*  ) (resid   36 and name HD2  )    3.79    3.79    0.00
assign (resid   32 and name HB1  ) (resid   33 and name HB*  )    3.92    3.92    0.00
assign (resid   34 and name HG*  ) (resid   34 and name HE*  )    3.38    3.38    0.00
assign (resid   11 and name HA   ) (resid   11 and name HG2  )    4.18    4.18    0.00
assign (resid   13 and name HD*  ) (resid   14 and name HN   )    3.50    3.50    0.00
assign (resid   14 and name HN   ) (resid   15 and name HD*  )    3.81    3.81    0.00
assign (resid   13 and name HN   ) (resid   13 and name HD*  )    3.05    3.05    0.00
assign (resid   18 and name HG2  ) (resid   41 and name HA2  )    3.70    3.70    0.00
assign (resid   28 and name HB1  ) (resid   29 and name HB2  )    4.92    4.92    0.00
assign (resid    7 and name HB   ) (resid   29 and name HB2  )    4.04    4.04    0.00
assign (resid    1 and name HA   ) (resid    1 and name HG2  )    3.87    3.87    0.00
assign (resid    1 and name HA   ) (resid    1 and name HG1  )    3.87    3.87    0.00
assign (resid   15 and name HA   ) (resid   16 and name HB*  )    4.54    4.54    0.00
assign (resid   14 and name HA   ) (resid   14 and name HD*  )    4.22    4.22    0.00
assign (resid   19 and name HB2  ) (resid   19 and name HD2  )    4.04    4.04    0.00
assign (resid   27 and name HA   ) (resid   27 and name HD1* )    3.92    3.92    0.00
assign (resid   21 and name HA   ) (resid   21 and name HD1* )    3.89    3.89    0.00
assign (resid   10 and name HA   ) (resid   10 and name HD1* )    3.81    3.81    0.00
assign (resid   13 and name HD*  ) (resid   14 and name HB*  )    4.61    4.61    0.00
assign (resid   33 and name HD2  ) (resid   34 and name HG*  )    3.80    3.80    0.00
assign (resid    5 and name HB1  ) (resid   24 and name HA   )    4.73    4.73    0.00
assign (resid   15 and name HD*  ) (resid   26 and name HN   )    3.77    3.77    0.00
assign (resid   19 and name HD1  ) (resid   42 and name HN   )    5.19    5.19    0.00
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assign (resid    5 and name HN   ) (resid   13 and name HB1  )    4.48    4.48    0.00
assign (resid   30 and name HN   ) (resid   31 and name HB*  )    4.79    4.79    0.00
assign (resid   10 and name HN   ) (resid   10 and name HG12 )    3.96    3.96    0.00
assign (resid    2 and name HB*  ) (resid    3 and name HN   )    3.85    3.85    0.00
assign (resid    2 and name HB*  ) (resid   13 and name HD*  )    4.63    4.63    0.00
assign (resid    2 and name HB*  ) (resid   13 and name HE*  )    4.94    4.94    0.00
assign (resid   15 and name HE*  ) (resid   27 and name HD2* )    4.76    4.76    0.00
assign (resid   15 and name HD*  ) (resid   27 and name HD2* )    5.64    5.64    0.00
assign (resid   15 and name HE*  ) (resid   27 and name HD1* )    4.76    4.76    0.00
assign (resid   13 and name HD*  ) (resid   14 and name HA   )    3.51    3.51    0.00
assign (resid   15 and name HD*  ) (resid   26 and name HA   )    3.80    3.80    0.00
assign (resid   18 and name HB1  ) (resid   43 and name HG2* )    4.23    4.23    0.00
assign (resid   27 and name HB2  ) (resid   27 and name HD1* )    3.72    3.72    0.00
assign (resid    2 and name HB*  ) (resid    4 and name HD2* )    4.61    4.61    0.00
assign (resid   27 and name HB2  ) (resid   27 and name HD2* )    3.72    3.72    0.00
assign (resid   17 and name HB*  ) (resid   22 and name HG1* )    3.95    3.95    0.00
assign (resid   22 and name HG1* ) (resid   23 and name HA   )    5.03    5.03    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG*  )    4.51    4.51    0.00
assign (resid   31 and name HB*  ) (resid   32 and name HN   )    3.90    3.90    0.00
assign (resid    5 and name HB1  ) (resid   25 and name HN   )    4.51    4.51    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB2  )    3.66    3.66    0.00
assign (resid   15 and name HN   ) (resid   15 and name HB2  )    3.67    3.67    0.00
assign (resid   13 and name HB2  ) (resid   23 and name HA   )    4.25    4.25    0.00
assign (resid   15 and name HB2  ) (resid   23 and name HA   )    4.94    4.94    0.00
assign (resid   16 and name HE*  ) (resid   23 and name HA   )    5.47    5.47    0.00
assign (resid   17 and name HB*  ) (resid   18 and name HD*  )    4.29    4.29    0.00
assign (resid    3 and name HN   ) (resid    3 and name HG1* )    4.25    4.25    0.00
assign (resid   42 and name HN   ) (resid   42 and name HB*  )    3.94    3.94    0.00
assign (resid   18 and name HG2  ) (resid   43 and name HN   )    4.13    4.13    0.00
assign (resid    3 and name HN   ) (resid   13 and name HD*  )    4.59    4.59    0.00
assign (resid    3 and name HN   ) (resid   13 and name HE*  )    5.19    5.19    0.00
assign (resid   13 and name HD*  ) (resid   23 and name HA   )    4.05    4.05    0.00
assign (resid   13 and name HE*  ) (resid   15 and name HA   )    5.50    5.50    0.00
assign (resid    2 and name HA   ) (resid   13 and name HE*  )    3.78    3.78    0.00
assign (resid   37 and name HN   ) (resid   38 and name HB2  )    5.12    5.12    0.00
assign (resid   14 and name HG1  ) (resid   15 and name HE*  )    4.52    4.52    0.00
assign (resid   14 and name HD*  ) (resid   15 and name HD*  )    4.46    4.46    0.00
assign (resid   15 and name HE*  ) (resid   27 and name HA   )    4.37    4.37    0.00
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assign (resid    5 and name HB1  ) (resid   25 and name HB1  )    3.82    3.82    0.00
assign (resid   14 and name HB*  ) (resid   14 and name HE*  )    4.36    4.36    0.00
assign (resid    7 and name HG2* ) (resid   29 and name HB1  )    3.55    3.55    0.00
assign (resid   34 and name HB*  ) (resid   34 and name HE*  )    3.62    3.62    0.00
assign (resid   32 and name HG1  ) (resid   32 and name HE*  )    4.03    4.03    0.00
assign (resid   31 and name HB*  ) (resid   34 and name HE*  )    3.91    3.91    0.00
assign (resid   19 and name HA   ) (resid   19 and name HD1  )    4.78    4.78    0.00
assign (resid   31 and name HA   ) (resid   34 and name HE*  )    3.57    3.57    0.00
assign (resid    2 and name HB*  ) (resid   12 and name HB*  )    3.99    3.99    0.00
assign (resid    6 and name HN   ) (resid   24 and name HG2* )    4.38    4.38    0.00
assign (resid    4 and name HD2* ) (resid   13 and name HN   )    4.64    4.64    0.00
assign (resid    7 and name HG2* ) (resid    8 and name HN   )    3.75    3.75    0.00
assign (resid    7 and name HG1* ) (resid   33 and name HN   )    4.47    4.47    0.00
assign (resid   14 and name HG1  ) (resid   15 and name HA   )    5.86    5.86    0.00
assign (resid   20 and name HA   ) (resid   21 and name HD1* )    6.00    6.00    0.00
assign (resid   21 and name HB1  ) (resid   21 and name HD2* )    3.68    3.68    0.00
assign (resid    7 and name HG2* ) (resid   22 and name HG2* )    3.78    3.78    0.00
assign (resid    3 and name HG1* ) (resid    5 and name HN   )    5.46    5.46    0.00
assign (resid    4 and name HB1  ) (resid    5 and name HN   )    3.98    3.98    0.00
assign (resid   43 and name HN   ) (resid   43 and name HG2* )    4.32    4.32    0.00
assign (resid    4 and name HB1  ) (resid   11 and name HN   )    4.61    4.61    0.00
assign (resid   15 and name HD*  ) (resid   27 and name HA   )    4.48    4.48    0.00
assign (resid   14 and name HG1  ) (resid   15 and name HD*  )    4.75    4.75    0.00
assign (resid   15 and name HB2  ) (resid   16 and name HN   )    3.73    3.73    0.00
assign (resid    7 and name HG2* ) (resid   29 and name HB2  )    3.89    3.89    0.00
assign (resid    8 and name HB2  ) (resid   10 and name HG2* )    3.97    3.97    0.00
assign (resid   26 and name HB2  ) (resid   29 and name HN   )    4.51    4.51    0.00
assign (resid   16 and name HN   ) (resid   17 and name HA   )    4.53    4.53    0.00
assign (resid   40 and name HB2  ) (resid   42 and name HB*  )    5.18    5.18    0.00
assign (resid   41 and name HA1  ) (resid   42 and name HB*  )    5.77    5.77    0.00
assign (resid   20 and name HA   ) (resid   21 and name HG   )    4.68    4.68    0.00
assign (resid   16 and name HN   ) (resid   16 and name HG1  )    4.96    4.96    0.00
assign (resid   15 and name HE*  ) (resid   26 and name HN   )    4.70    4.70    0.00
assign (resid   16 and name HG2  ) (resid   21 and name HB1  )    4.97    4.97    0.00
assign (resid   14 and name HG1  ) (resid   14 and name HE*  )    4.09    4.09    0.00
assign (resid   17 and name HB*  ) (resid   22 and name HG2* )    5.01    5.01    0.00
assign (resid   32 and name HA   ) (resid   32 and name HE*  )    5.13    5.13    0.00
assign (resid   34 and name HE*  ) (resid   41 and name HA2  )    5.59    5.59    0.00
assign (resid   29 and name HB1  ) (resid   32 and name HB2  )    4.80    4.80    0.00
assign (resid   13 and name HE*  ) (resid   16 and name HE*  )    4.76    4.76    0.00
assign (resid   10 and name HN   ) (resid   25 and name HB2  )    5.87    5.87    0.00
assign (resid    4 and name HD1* ) (resid   10 and name HN   )    5.20    5.20    0.00
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assign (resid   12 and name HG*  ) (resid   13 and name HD*  )    5.06    5.06    0.00
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assign (resid   15 and name HE*  ) (resid   27 and name HB1  )    5.22    5.22    0.00
assign (resid    7 and name HB   ) (resid   29 and name HA   )    4.46    4.46    0.00
assign (resid   28 and name HB1  ) (resid   29 and name HA   )    4.80    4.80    0.00
assign (resid   12 and name HA   ) (resid   13 and name HB1  )    4.47    4.47    0.00
assign (resid    3 and name HB   ) (resid   13 and name HB1  )    3.96    3.96    0.00
assign (resid    4 and name HB2  ) (resid    9 and name HA*  )    4.68    4.68    0.00
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assign (resid    5 and name HB2  ) (resid   10 and name HG11 )    5.27    5.27    0.00
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assign (resid    7 and name HG2* ) (resid   32 and name HB2  )    4.29    4.29    0.00
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assign (resid   32 and name HE*  ) (resid   35 and name HG2* )    5.47    5.47    0.00
assign (resid   14 and name HD*  ) (resid   25 and name HB2  )    5.93    5.93    0.00
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assign (resid   -1 and name HB2  ) (resid    1 and name HG1  )    3.33    3.33    0.00
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assign (resid    8 and name HN   ) (resid   25 and name HN   )    5.63    5.63    0.00
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assign (resid    7 and name HN   ) (resid   25 and name HN   )    4.89    4.89    0.00
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assign (resid   43 and name HB   ) (resid   45 and name HN   )    5.82    5.82    0.00
assign (resid   14 and name HA   ) (resid   15 and name HE*  )    5.54    5.54    0.00
assign (resid   23 and name HA   ) (resid   24 and name HA   )    5.51    5.51    0.00
assign (resid   15 and name HD*  ) (resid   23 and name HA   )    6.00    6.00    0.00
assign (resid    4 and name HB1  ) (resid    5 and name HB1  )    4.86    4.86    0.00
assign (resid    5 and name HB1  ) (resid    7 and name HG2* )    6.00    6.00    0.00
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assign (resid   14 and name HD*  ) (resid   26 and name HA   )    5.22    5.22    0.00
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assign (resid   18 and name HA   ) (resid   43 and name HG2* )    4.82    4.82    0.00
assign (resid    6 and name HA1  ) (resid    7 and name HG2* )    4.82    4.82    0.00
assign (resid   31 and name HB*  ) (resid   31 and name HD*  )    3.25    3.25    0.00
assign (resid    5 and name HB1  ) (resid   10 and name HG2* )    5.51    5.51    0.00
assign (resid    5 and name HB2  ) (resid   10 and name HD1* )    4.37    4.37    0.00
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assign (resid   13 and name HB1  ) (resid   23 and name HA   )    5.29    5.29    0.00
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assign (resid   14 and name HB*  ) (resid   25 and name HB2  )    5.32    5.32    0.00
assign (resid   17 and name HA   ) (resid   18 and name HG1  )    4.51    4.51    0.00
assign (resid    7 and name HG2* ) (resid   32 and name HB1  )    3.96    3.96    0.00
assign (resid   15 and name HE*  ) (resid   27 and name HB2  )    5.22    5.22    0.00
assign (resid   16 and name HG2  ) (resid   22 and name HN   )    5.29    5.29    0.00
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assign (resid   39 and name N  ) (resid   39 and name CA   )
       (resid   39 and name CB   ) (resid   39 and name SG   )    1.0  172.1   20.9 2
assign (resid   33 and name N  ) (resid   33 and name CA   )
       (resid   33 and name CB   ) (resid   33 and name CG   )    1.0 71.8   22.6 2
assign (resid   33 and name CA   ) (resid   33 and name CB   )
       (resid   33 and name CG   ) (resid   33 and name ND1  )    1.0 -106.8   22.7 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -2           HT1      GLY  -2 -23.190   2.157   2.110
    2    H2   GLY  -2           HT2      GLY  -2 -24.305   3.405   2.356
    3    H3   GLY  -2           HT3      GLY  -2 -23.146   3.060   3.538
    4    HA2  GLY  -2           HA1      GLY  -2 -22.521   5.035   2.334
    5    HA3  GLY  -2           HA2      GLY  -2 -21.374   3.733   2.052
    6    HA   PRO  -1           HA       PRO  -1 -23.404   5.263  -1.975
    7    HB2  PRO  -1           HB2      PRO  -1 -21.799   7.266  -2.766
    8    HB3  PRO  -1           HB1      PRO  -1 -23.167   7.535  -1.681
    9    HG2  PRO  -1           HG2      PRO  -1 -20.257   7.294  -1.036
   10    HG3  PRO  -1           HG1      PRO  -1 -21.461   8.415  -0.378
   11    HD2  PRO  -1           HD2      PRO  -1 -20.628   6.132   0.897
   12    HD3  PRO  -1           HD1      PRO  -1 -22.206   6.897   1.162
   13    H    HIS   0           HN       HIS   0 -20.783   3.734  -0.937
   14    HA   HIS   0           HA       HIS   0 -19.207   2.395  -1.846
   15    HB2  HIS   0           HB2      HIS   0 -20.963   2.753  -4.271
   16    HB3  HIS   0           HB1      HIS   0 -19.549   1.706  -4.271
   17    HD1  HIS   0           HD1      HIS   0 -19.838  -0.599  -3.333
   18    HD2  HIS   0           HD2      HIS   0 -23.029   1.899  -2.420
   19    HE1  HIS   0           HE1      HIS   0 -21.576  -2.082  -2.293
   20    HE2  HIS   0           HE2      HIS   0 -23.423  -0.521  -1.591
   21    H    MET   1           HN       MET   1 -18.612   5.108  -1.633
   22    HA   MET   1           HA       MET   1 -16.976   5.671  -4.003
   23    HB2  MET   1           HB2      MET   1 -17.597   7.401  -1.596
   24    HB3  MET   1           HB1      MET   1 -16.620   7.894  -2.971
   25    HG2  MET   1           HG2      MET   1 -19.531   7.142  -3.077
   26    HG3  MET   1           HG1      MET   1 -18.896   8.785  -3.066
   27    HE1  MET   1           HE1      MET   1 -20.226   8.387  -6.723
   28    HE2  MET   1           HE2      MET   1 -20.276   9.361  -5.254
   29    HE3  MET   1           HE3      MET   1 -20.933   7.724  -5.250
   30    H    ALA   2           HN       ALA   2 -15.606   3.830  -3.400
   31    HA   ALA   2           HA       ALA   2 -13.596   4.606  -1.420
   32    HB1  ALA   2           HB1      ALA   2 -13.559   2.367  -0.459
   33    HB2  ALA   2           HB2      ALA   2 -14.893   1.887  -1.507
   34    HB3  ALA   2           HB3      ALA   2 -15.146   3.112  -0.265
   35    H    VAL   3           HN       VAL   3 -11.552   3.738  -1.755
   36    HA   VAL   3           HA       VAL   3 -11.094   2.729  -4.468
   37    HB   VAL   3           HB       VAL   3  -9.108   3.883  -2.495
   38   HG11  VAL   3          HG11      VAL   3  -8.075   2.331  -4.059
   39   HG12  VAL   3          HG12      VAL   3  -7.584   3.989  -4.407
   40   HG13  VAL   3          HG13      VAL   3  -8.795   3.198  -5.416
   41   HG21  VAL   3          HG21      VAL   3 -10.698   5.568  -3.230
   42   HG22  VAL   3          HG22      VAL   3 -10.391   5.146  -4.913
   43   HG23  VAL   3          HG23      VAL   3  -9.110   5.864  -3.938
   44    H    LEU   4           HN       LEU   4 -10.096   0.803  -4.827
   45    HA   LEU   4           HA       LEU   4 -10.044  -1.073  -2.645
   46    HB2  LEU   4           HB2      LEU   4  -9.520  -1.294  -5.595
   47    HB3  LEU   4           HB1      LEU   4  -9.217  -2.633  -4.504
   48    HG   LEU   4           HG       LEU   4 -11.899  -1.302  -4.899
   49   HD11  LEU   4          HD11      LEU   4 -12.518  -3.341  -6.074
   50   HD12  LEU   4          HD12      LEU   4 -10.879  -3.963  -5.884
   51   HD13  LEU   4          HD13      LEU   4 -11.172  -2.539  -6.883
   52   HD21  LEU   4          HD21      LEU   4 -12.740  -3.239  -3.628
   53   HD22  LEU   4          HD22      LEU   4 -11.660  -2.225  -2.671
   54   HD23  LEU   4          HD23      LEU   4 -11.077  -3.752  -3.337
   55    H    CYS   5           HN       CYS   5  -8.267  -2.334  -2.059
   56    HA   CYS   5           HA       CYS   5  -5.854  -1.058  -1.578
   57    HB2  CYS   5           HB2      CYS   5  -6.668  -3.042  -0.363
   58    HB3  CYS   5           HB1      CYS   5  -6.426  -4.019  -1.797
   59    H    GLY   6           HN       GLY   6  -4.190  -0.581  -2.848
   60    HA2  GLY   6           HA2      GLY   6  -4.180  -1.134  -5.604
   61    HA3  GLY   6           HA1      GLY   6  -2.835  -0.475  -4.691
   62    H    VAL   7           HN       VAL   7  -2.974  -3.002  -2.963
   63    HA   VAL   7           HA       VAL   7  -1.198  -4.532  -4.684
   64    HB   VAL   7           HB       VAL   7  -1.790  -4.776  -1.733
   65   HG11  VAL   7          HG11      VAL   7   0.165  -6.348  -3.409
   66   HG12  VAL   7          HG12      VAL   7  -1.303  -6.977  -2.659
   67   HG13  VAL   7          HG13      VAL   7   0.029  -6.408  -1.651
   68   HG21  VAL   7          HG21      VAL   7   0.540  -4.019  -1.488
   69   HG22  VAL   7          HG22      VAL   7  -0.463  -2.829  -2.322
   70   HG23  VAL   7          HG23      VAL   7   0.651  -3.840  -3.240
   71    H    CYS   8           HN       CYS   8  -3.867  -5.408  -2.455
   72    HA   CYS   8           HA       CYS   8  -4.154  -7.887  -3.982
   73    HB2  CYS   8           HB2      CYS   8  -5.234  -8.828  -2.062
   74    HB3  CYS   8           HB1      CYS   8  -3.786  -8.000  -1.510
   75    H    GLY   9           HN       GLY   9  -5.904  -5.027  -3.054
   76    HA2  GLY   9           HA2      GLY   9  -7.946  -4.171  -3.663
   77    HA3  GLY   9           HA1      GLY   9  -7.553  -4.882  -5.215
   78    H    ILE  10           HN       ILE  10  -8.802  -5.955  -2.032
   79    HA   ILE  10           HA       ILE  10 -10.966  -7.295  -3.485
   80    HB   ILE  10           HB       ILE  10 -10.746  -9.139  -1.654
   81   HG12  ILE  10          HG12      ILE  10  -8.320  -9.622  -1.167
   82   HG13  ILE  10          HG11      ILE  10  -7.942  -8.006  -1.754
   83   HG21  ILE  10          HG21      ILE  10 -10.567  -9.547  -4.027
   84   HG22  ILE  10          HG22      ILE  10  -9.324 -10.454  -3.164
   85   HG23  ILE  10          HG23      ILE  10  -8.899  -8.975  -4.026
   86   HD11  ILE  10          HD11      ILE  10  -9.677  -8.676   0.610
   87   HD12  ILE  10          HD12      ILE  10  -9.337  -7.052   0.007
   88   HD13  ILE  10          HD13      ILE  10  -8.030  -8.045   0.657
   89    H    LYS  11           HN       LYS  11 -10.480  -4.913  -1.438
   90    HA   LYS  11           HA       LYS  11 -13.078  -5.190  -0.283
   91    HB2  LYS  11           HB2      LYS  11 -12.396  -4.948   2.086
   92    HB3  LYS  11           HB1      LYS  11 -11.921  -6.483   1.383
   93    HG2  LYS  11           HG2      LYS  11  -9.626  -5.484   1.052
   94    HG3  LYS  11           HG1      LYS  11 -10.172  -4.128   2.036
   95    HD2  LYS  11           HD2      LYS  11 -10.202  -7.009   2.929
   96    HD3  LYS  11           HD1      LYS  11  -8.926  -5.856   3.317
   97    HE2  LYS  11           HE2      LYS  11 -11.829  -5.460   4.026
   98    HE3  LYS  11           HE1      LYS  11 -10.643  -6.179   5.112
   99    HZ1  LYS  11           HZ1      LYS  11 -10.954  -3.826   5.549
  100    HZ2  LYS  11           HZ2      LYS  11 -10.489  -3.440   3.974
  101    HZ3  LYS  11           HZ3      LYS  11  -9.373  -4.134   5.040
  102    H    GLU  12           HN       GLU  12 -10.126  -3.336   0.486
  103    HA   GLU  12           HA       GLU  12 -10.996  -0.874  -0.545
  104    HB2  GLU  12           HB2      GLU  12 -12.684  -1.207   1.325
  105    HB3  GLU  12           HB1      GLU  12 -11.344  -1.144   2.456
  106    HG2  GLU  12           HG2      GLU  12 -10.853   1.134   1.785
  107    HG3  GLU  12           HG1      GLU  12 -12.148   1.075   0.589
  108    H    PHE  13           HN       PHE  13  -9.559   0.937   0.536
  109    HA   PHE  13           HA       PHE  13  -6.998  -0.268   1.323
  110    HB2  PHE  13           HB2      PHE  13  -5.896   1.612   0.457
  111    HB3  PHE  13           HB1      PHE  13  -7.166   1.293  -0.713
  112    HD1  PHE  13           HD1      PHE  13  -9.249   2.717  -0.651
  113    HD2  PHE  13           HD2      PHE  13  -5.750   3.658   1.581
  114    HE1  PHE  13           HE1      PHE  13 -10.024   5.040  -0.414
  115    HE2  PHE  13           HE2      PHE  13  -6.515   5.983   1.817
  116    HZ   PHE  13           HZ       PHE  13  -8.659   6.674   0.821
  117    H    LYS  14           HN       LYS  14  -5.717   0.993   2.900
  118    HA   LYS  14           HA       LYS  14  -7.244   2.708   4.692
  119    HB2  LYS  14           HB2      LYS  14  -7.488   0.466   5.627
  120    HB3  LYS  14           HB1      LYS  14  -5.749   0.233   5.578
  121    HG2  LYS  14           HG2      LYS  14  -5.430   1.934   7.254
  122    HG3  LYS  14           HG1      LYS  14  -7.155   2.306   7.251
  123    HD2  LYS  14           HD2      LYS  14  -7.644   0.051   8.055
  124    HD3  LYS  14           HD1      LYS  14  -5.924  -0.337   8.033
  125    HE2  LYS  14           HE2      LYS  14  -7.144   1.871   9.681
  126    HE3  LYS  14           HE1      LYS  14  -6.825   0.247  10.287
  127    HZ1  LYS  14           HZ1      LYS  14  -4.776   2.125   9.231
  128    HZ2  LYS  14           HZ2      LYS  14  -4.475   0.572   9.833
  129    HZ3  LYS  14           HZ3      LYS  14  -5.049   1.781  10.864
  130    H    TYR  15           HN       TYR  15  -4.346   1.753   3.177
  131    HA   TYR  15           HA       TYR  15  -2.850   3.871   4.575
  132    HB2  TYR  15           HB2      TYR  15  -1.806   1.210   3.576
  133    HB3  TYR  15           HB1      TYR  15  -0.795   2.515   4.183
  134    HD1  TYR  15           HD2      TYR  15  -3.603   0.289   5.194
  135    HD2  TYR  15           HD1      TYR  15  -0.250   2.590   6.429
  136    HE1  TYR  15           HE2      TYR  15  -3.849  -0.590   7.470
  137    HE2  TYR  15           HE1      TYR  15  -0.489   1.716   8.716
  138    HH   TYR  15           HH       TYR  15  -2.398  -0.937   9.481
  139    H    LYS  16           HN       LYS  16  -0.804   4.386   3.198
  140    HA   LYS  16           HA       LYS  16  -1.020   3.985   0.366
  141    HB2  LYS  16           HB2      LYS  16  -2.604   5.891   0.801
  142    HB3  LYS  16           HB1      LYS  16  -1.243   6.816   1.413
  143    HG2  LYS  16           HG2      LYS  16  -0.222   6.916  -0.722
  144    HG3  LYS  16           HG1      LYS  16  -1.303   5.677  -1.367
  145    HD2  LYS  16           HD2      LYS  16  -1.945   7.901  -2.147
  146    HD3  LYS  16           HD1      LYS  16  -3.201   7.199  -1.128
  147    HE2  LYS  16           HE2      LYS  16  -2.410   8.523   0.765
  148    HE3  LYS  16           HE1      LYS  16  -1.141   9.218  -0.243
  149    HZ1  LYS  16           HZ1      LYS  16  -2.987  10.730  -0.092
  150    HZ2  LYS  16           HZ2      LYS  16  -4.069   9.547  -0.623
  151    HZ3  LYS  16           HZ3      LYS  16  -2.889  10.145  -1.674
  152    H    CYS  17           HN       CYS  17   1.017   3.284   0.183
  153    HA   CYS  17           HA       CYS  17   3.199   3.982   1.732
  154    HB2  CYS  17           HB2      CYS  17   3.253   2.034   0.275
  155    HB3  CYS  17           HB1      CYS  17   3.196   3.064  -1.153
  156    HA   PRO  18           HA       PRO  18   4.105   8.165   0.559
  157    HB2  PRO  18           HB2      PRO  18   6.691   8.203   1.494
  158    HB3  PRO  18           HB1      PRO  18   5.262   8.411   2.514
  159    HG2  PRO  18           HG2      PRO  18   6.917   5.974   2.030
  160    HG3  PRO  18           HG1      PRO  18   6.223   6.574   3.547
  161    HD2  PRO  18           HD2      PRO  18   5.101   4.550   2.187
  162    HD3  PRO  18           HD1      PRO  18   4.118   5.743   3.060
  163    H    ARG  19           HN       ARG  19   5.904   5.408  -0.496
  164    HA   ARG  19           HA       ARG  19   7.305   6.987  -2.534
  165    HB2  ARG  19           HB2      ARG  19   7.689   4.250  -1.402
  166    HB3  ARG  19           HB1      ARG  19   8.281   4.598  -3.019
  167    HG2  ARG  19           HG2      ARG  19   9.527   6.541  -2.011
  168    HG3  ARG  19           HG1      ARG  19   9.097   5.871  -0.430
  169    HD2  ARG  19           HD2      ARG  19  11.351   5.196  -1.316
  170    HD3  ARG  19           HD1      ARG  19  10.284   3.874  -0.849
  171    HE   ARG  19           HE       ARG  19  10.087   4.517  -3.634
  172   HH11  ARG  19          HH11      ARG  19  12.003   2.825  -1.250
  173   HH12  ARG  19          HH12      ARG  19  12.574   1.620  -2.372
  174   HH21  ARG  19          HH21      ARG  19  10.830   2.934  -5.120
  175   HH22  ARG  19          HH22      ARG  19  11.902   1.685  -4.571
  176    H    CYS  20           HN       CYS  20   5.371   4.026  -2.266
  177    HA   CYS  20           HA       CYS  20   5.221   3.790  -5.126
  178    HB2  CYS  20           HB2      CYS  20   3.837   2.159  -2.990
  179    HB3  CYS  20           HB1      CYS  20   4.018   1.716  -4.683
  180    H    LEU  21           HN       LEU  21   3.416   5.276  -2.695
  181    HA   LEU  21           HA       LEU  21   1.414   6.290  -2.540
  182    HB2  LEU  21           HB2      LEU  21   1.393   6.217  -5.554
  183    HB3  LEU  21           HB1      LEU  21   0.431   7.261  -4.528
  184    HG   LEU  21           HG       LEU  21   3.338   7.431  -5.200
  185   HD11  LEU  21          HD11      LEU  21   2.760   9.775  -5.549
  186   HD12  LEU  21          HD12      LEU  21   1.108   9.442  -5.026
  187   HD13  LEU  21          HD13      LEU  21   1.733   8.702  -6.501
  188   HD21  LEU  21          HD21      LEU  21   3.638   9.074  -3.389
  189   HD22  LEU  21          HD22      LEU  21   3.350   7.442  -2.784
  190   HD23  LEU  21          HD23      LEU  21   2.050   8.638  -2.753
  191    H    VAL  22           HN       VAL  22   1.714   3.287  -3.119
  192    HA   VAL  22           HA       VAL  22  -0.780   2.524  -4.251
  193    HB   VAL  22           HB       VAL  22   1.205   1.076  -4.441
  194   HG11  VAL  22          HG11      VAL  22   2.033  -0.206  -2.563
  195   HG12  VAL  22          HG12      VAL  22   0.891   0.597  -1.486
  196   HG13  VAL  22          HG13      VAL  22   2.186   1.521  -2.240
  197   HG21  VAL  22          HG21      VAL  22  -1.117  -0.131  -2.953
  198   HG22  VAL  22          HG22      VAL  22   0.113  -1.057  -3.813
  199   HG23  VAL  22          HG23      VAL  22  -0.940   0.044  -4.700
  200    H    GLN  23           HN       GLN  23  -2.620   2.504  -3.287
  201    HA   GLN  23           HA       GLN  23  -2.824   3.041  -0.466
  202    HB2  GLN  23           HB2      GLN  23  -4.962   2.642  -2.566
  203    HB3  GLN  23           HB1      GLN  23  -5.235   3.228  -0.929
  204    HG2  GLN  23           HG2      GLN  23  -3.877   5.187  -1.377
  205    HG3  GLN  23           HG1      GLN  23  -3.527   4.596  -2.997
  206   HE21  GLN  23          HE21      GLN  23  -6.662   4.305  -1.498
  207   HE22  GLN  23          HE22      GLN  23  -7.467   5.438  -2.523
  208    H    THR  24           HN       THR  24  -2.176   1.267   0.613
  209    HA   THR  24           HA       THR  24  -3.118  -1.371  -0.112
  210    HB   THR  24           HB       THR  24  -1.726  -2.053   1.899
  211    HG1  THR  24           HG1      THR  24  -0.322  -0.447   2.716
  212   HG21  THR  24          HG21      THR  24  -0.850  -2.190  -0.367
  213   HG22  THR  24          HG22      THR  24   0.412  -1.683   0.755
  214   HG23  THR  24          HG23      THR  24  -0.361  -0.497  -0.298
  215    H    CYS  25           HN       CYS  25  -4.130  -2.776   1.433
  216    HA   CYS  25           HA       CYS  25  -6.247  -1.429   2.861
  217    HB2  CYS  25           HB2      CYS  25  -7.204  -3.654   3.142
  218    HB3  CYS  25           HB1      CYS  25  -6.722  -3.416   1.469
  219    H    SER  26           HN       SER  26  -3.248  -2.952   3.553
  220    HA   SER  26           HA       SER  26  -3.468  -2.343   6.350
  221    HB2  SER  26           HB2      SER  26  -3.235  -5.239   5.481
  222    HB3  SER  26           HB1      SER  26  -3.057  -4.657   7.133
  223    HG   SER  26           HG       SER  26  -5.375  -3.816   5.963
  224    H    LEU  27           HN       LEU  27  -1.401  -3.045   7.498
  225    HA   LEU  27           HA       LEU  27   0.849  -2.129   6.101
  226    HB2  LEU  27           HB2      LEU  27   0.598  -3.734   8.640
  227    HB3  LEU  27           HB1      LEU  27   2.126  -3.123   8.043
  228    HG   LEU  27           HG       LEU  27  -0.222  -1.357   8.720
  229   HD11  LEU  27          HD11      LEU  27   0.525  -2.496  10.727
  230   HD12  LEU  27          HD12      LEU  27   1.028  -0.805  10.763
  231   HD13  LEU  27          HD13      LEU  27   2.197  -2.065  10.371
  232   HD21  LEU  27          HD21      LEU  27   2.692  -0.766   8.210
  233   HD22  LEU  27          HD22      LEU  27   1.475   0.412   8.696
  234   HD23  LEU  27          HD23      LEU  27   1.350  -0.389   7.131
  235    H    GLU  28           HN       GLU  28  -0.524  -5.302   6.491
  236    HA   GLU  28           HA       GLU  28   1.651  -6.880   5.759
  237    HB2  GLU  28           HB2      GLU  28  -0.480  -7.741   6.685
  238    HB3  GLU  28           HB1      GLU  28  -1.259  -7.396   5.146
  239    HG2  GLU  28           HG2      GLU  28   0.194  -8.987   4.030
  240    HG3  GLU  28           HG1      GLU  28   1.030  -9.307   5.548
  241    H    CYS  29           HN       CYS  29  -0.701  -5.177   3.745
  242    HA   CYS  29           HA       CYS  29   0.441  -6.207   1.313
  243    HB2  CYS  29           HB2      CYS  29  -1.764  -4.317   1.992
  244    HB3  CYS  29           HB1      CYS  29  -1.076  -4.251   0.376
  245    H    SER  30           HN       SER  30   0.869  -3.434   3.367
  246    HA   SER  30           HA       SER  30   2.331  -1.836   1.542
  247    HB2  SER  30           HB2      SER  30   2.443  -1.919   4.569
  248    HB3  SER  30           HB1      SER  30   3.127  -0.646   3.561
  249    HG   SER  30           HG       SER  30   1.232   0.219   3.784
  250    H    LYS  31           HN       LYS  31   3.270  -4.298   3.914
  251    HA   LYS  31           HA       LYS  31   6.067  -4.015   3.276
  252    HB2  LYS  31           HB2      LYS  31   6.463  -5.726   4.897
  253    HB3  LYS  31           HB1      LYS  31   5.222  -4.666   5.544
  254    HG2  LYS  31           HG2      LYS  31   3.507  -6.306   4.847
  255    HG3  LYS  31           HG1      LYS  31   4.801  -7.383   4.317
  256    HD2  LYS  31           HD2      LYS  31   5.704  -7.368   6.623
  257    HD3  LYS  31           HD1      LYS  31   4.335  -6.377   7.126
  258    HE2  LYS  31           HE2      LYS  31   3.860  -8.650   7.700
  259    HE3  LYS  31           HE1      LYS  31   2.821  -8.199   6.354
  260    HZ1  LYS  31           HZ1      LYS  31   3.736 -10.379   6.001
  261    HZ2  LYS  31           HZ2      LYS  31   5.312  -9.800   6.180
  262    HZ3  LYS  31           HZ3      LYS  31   4.381  -9.318   4.854
  263    H    LYS  32           HN       LYS  32   3.512  -5.442   1.737
  264    HA   LYS  32           HA       LYS  32   4.749  -7.873   0.881
  265    HB2  LYS  32           HB2      LYS  32   2.252  -7.367   1.052
  266    HB3  LYS  32           HB1      LYS  32   2.442  -6.515  -0.474
  267    HG2  LYS  32           HG2      LYS  32   3.135  -8.515  -1.582
  268    HG3  LYS  32           HG1      LYS  32   3.187  -9.398  -0.052
  269    HD2  LYS  32           HD2      LYS  32   0.759  -8.935   0.208
  270    HD3  LYS  32           HD1      LYS  32   0.763  -8.256  -1.418
  271    HE2  LYS  32           HE2      LYS  32   1.452 -11.090  -0.651
  272    HE3  LYS  32           HE1      LYS  32  -0.012 -10.556  -1.473
  273    HZ1  LYS  32           HZ1      LYS  32   1.539 -11.470  -3.048
  274    HZ2  LYS  32           HZ2      LYS  32   2.752 -10.409  -2.545
  275    HZ3  LYS  32           HZ3      LYS  32   1.381  -9.811  -3.328
  276    H    HIS  33           HN       HIS  33   4.241  -4.654  -0.550
  277    HA   HIS  33           HA       HIS  33   5.408  -5.414  -3.051
  278    HB2  HIS  33           HB2      HIS  33   5.239  -3.077  -3.676
  279    HB3  HIS  33           HB1      HIS  33   3.755  -3.581  -2.884
  280    HD1  HIS  33           HD1      HIS  33   2.896  -1.665  -1.530
  281    HD2  HIS  33           HD2      HIS  33   7.030  -1.928  -1.399
  282    HE1  HIS  33           HE1      HIS  33   3.684   0.236  -0.061
  283    H    LYS  34           HN       LYS  34   6.715  -4.570  -0.036
  284    HA   LYS  34           HA       LYS  34   8.956  -3.068  -0.926
  285    HB2  LYS  34           HB2      LYS  34   8.528  -4.548   1.671
  286    HB3  LYS  34           HB1      LYS  34   9.805  -3.377   1.365
  287    HG2  LYS  34           HG2      LYS  34   8.026  -1.680   0.919
  288    HG3  LYS  34           HG1      LYS  34   6.844  -2.871   1.465
  289    HD2  LYS  34           HD2      LYS  34   8.010  -2.999   3.630
  290    HD3  LYS  34           HD1      LYS  34   9.134  -1.754   3.080
  291    HE2  LYS  34           HE2      LYS  34   7.182  -0.240   2.750
  292    HE3  LYS  34           HE1      LYS  34   6.160  -1.477   3.479
  293    HZ1  LYS  34           HZ1      LYS  34   8.346   0.058   4.762
  294    HZ2  LYS  34           HZ2      LYS  34   7.681  -1.333   5.458
  295    HZ3  LYS  34           HZ3      LYS  34   6.706   0.021   5.185
  296    H    THR  35           HN       THR  35   8.330  -6.455  -0.505
  297    HA   THR  35           HA       THR  35  11.122  -7.157  -0.386
  298    HB   THR  35           HB       THR  35   9.260  -8.352   0.854
  299    HG1  THR  35           HG1      THR  35  10.698 -10.193  -0.750
  300   HG21  THR  35          HG21      THR  35   7.649  -8.533  -0.957
  301   HG22  THR  35          HG22      THR  35   8.082 -10.135  -0.363
  302   HG23  THR  35          HG23      THR  35   8.767  -9.542  -1.875
  303    H    ARG  36           HN       ARG  36   9.102  -6.334  -2.865
  304    HA   ARG  36           HA       ARG  36  10.609  -7.996  -4.773
  305    HB2  ARG  36           HB2      ARG  36   8.587  -8.067  -6.197
  306    HB3  ARG  36           HB1      ARG  36   8.343  -8.855  -4.642
  307    HG2  ARG  36           HG2      ARG  36   7.106  -7.004  -3.810
  308    HG3  ARG  36           HG1      ARG  36   7.517  -6.025  -5.219
  309    HD2  ARG  36           HD2      ARG  36   6.325  -7.823  -6.588
  310    HD3  ARG  36           HD1      ARG  36   5.672  -8.385  -5.049
  311    HE   ARG  36           HE       ARG  36   5.334  -5.555  -5.622
  312   HH11  ARG  36          HH11      ARG  36   3.925  -8.769  -5.713
  313   HH12  ARG  36          HH12      ARG  36   2.295  -8.188  -5.836
  314   HH21  ARG  36          HH21      ARG  36   3.190  -4.796  -5.799
  315   HH22  ARG  36          HH22      ARG  36   1.876  -5.927  -5.900
  316    H    ASP  37           HN       ASP  37   9.200  -4.893  -4.007
  317    HA   ASP  37           HA       ASP  37  10.083  -3.822  -6.584
  318    HB2  ASP  37           HB2      ASP  37   8.188  -2.696  -4.513
  319    HB3  ASP  37           HB1      ASP  37   8.716  -1.811  -5.939
  320    H    ASN  38           HN       ASN  38  11.232  -4.248  -3.571
  321    HA   ASN  38           HA       ASN  38  12.946  -3.406  -2.367
  322    HB2  ASN  38           HB2      ASN  38  13.510  -2.094  -5.015
  323    HB3  ASN  38           HB1      ASN  38  14.580  -1.917  -3.627
  324   HD21  ASN  38          HD21      ASN  38  13.431  -4.007  -6.112
  325   HD22  ASN  38          HD22      ASN  38  14.535  -5.306  -5.827
  326    H    CYS  39           HN       CYS  39  11.163  -2.379  -1.193
  327    HA   CYS  39           HA       CYS  39  11.407   0.548  -1.246
  328    HB2  CYS  39           HB2      CYS  39   9.308  -0.179  -2.389
  329    HB3  CYS  39           HB1      CYS  39   8.819  -0.993  -0.911
  330    H    SER  40           HN       SER  40  11.308   1.529   0.792
  331    HA   SER  40           HA       SER  40  11.086  -0.318   3.078
  332    HB2  SER  40           HB2      SER  40  12.623   2.289   2.957
  333    HB3  SER  40           HB1      SER  40  12.569   1.170   4.318
  334    HG   SER  40           HG       SER  40  13.808   0.860   1.803
  335    H    GLY  41           HN       GLY  41  10.161   2.745   1.684
  336    HA2  GLY  41           HA2      GLY  41   8.052   3.725   1.932
  337    HA3  GLY  41           HA1      GLY  41   7.775   2.727   3.345
  338    H    GLN  42           HN       GLN  42  10.321   5.040   2.487
  339    HA   GLN  42           HA       GLN  42   9.596   6.608   4.879
  340    HB2  GLN  42           HB2      GLN  42  12.396   6.171   3.816
  341    HB3  GLN  42           HB1      GLN  42  11.951   7.090   5.245
  342    HG2  GLN  42           HG2      GLN  42  11.162   5.056   6.323
  343    HG3  GLN  42           HG1      GLN  42  11.584   4.126   4.886
  344   HE21  GLN  42          HE21      GLN  42  12.776   5.818   7.659
  345   HE22  GLN  42          HE22      GLN  42  14.403   5.239   7.571
  346    H    THR  43           HN       THR  43   9.118   6.635   1.890
  347    HA   THR  43           HA       THR  43   8.566   8.241   0.395
  348    HB   THR  43           HB       THR  43   9.977  10.362   1.994
  349    HG1  THR  43           HG1      THR  43   8.641   9.472   3.516
  350   HG21  THR  43          HG21      THR  43   7.550  10.356   0.196
  351   HG22  THR  43          HG22      THR  43   9.147  10.984  -0.212
  352   HG23  THR  43          HG23      THR  43   8.186  11.766   1.042
  353    H    HIS  44           HN       HIS  44  11.826   8.964   1.717
  354    HA   HIS  44           HA       HIS  44  12.791   8.883  -1.071
  355    HB2  HIS  44           HB2      HIS  44  13.747  10.583   1.231
  356    HB3  HIS  44           HB1      HIS  44  14.675  10.366  -0.248
  357    HD1  HIS  44           HD1      HIS  44  11.997  12.367   1.217
  358    HD2  HIS  44           HD2      HIS  44  13.302  11.389  -2.607
  359    HE1  HIS  44           HE1      HIS  44  10.932  14.053  -0.314
  360    HE2  HIS  44           HE2      HIS  44  11.850  13.530  -2.600
  361    H    ASP  45           HN       ASP  45  12.537   6.582   0.500
  362    HA   ASP  45           HA       ASP  45  15.200   5.895   1.410
  363    HB2  ASP  45           HB2      ASP  45  14.166   3.621   1.781
  364    HB3  ASP  45           HB1      ASP  45  13.432   4.932   2.694
  Start of MODEL    2
    1    H1   GLY  -2           HT1      GLY  -2 -23.173   0.199  -4.455
    2    H2   GLY  -2           HT2      GLY  -2 -21.744   0.795  -5.134
    3    H3   GLY  -2           HT3      GLY  -2 -23.091   1.802  -4.984
    4    HA2  GLY  -2           HA1      GLY  -2 -22.951   1.696  -2.583
    5    HA3  GLY  -2           HA2      GLY  -2 -21.553   0.640  -2.734
    6    HA   PRO  -1           HA       PRO  -1 -19.981   4.978  -2.465
    7    HB2  PRO  -1           HB2      PRO  -1 -17.997   4.473  -0.692
    8    HB3  PRO  -1           HB1      PRO  -1 -19.658   4.808  -0.196
    9    HG2  PRO  -1           HG2      PRO  -1 -18.235   2.192  -0.413
   10    HG3  PRO  -1           HG1      PRO  -1 -19.377   2.749   0.822
   11    HD2  PRO  -1           HD2      PRO  -1 -20.053   1.077  -1.237
   12    HD3  PRO  -1           HD1      PRO  -1 -21.201   2.162  -0.430
   13    H    HIS   0           HN       HIS   0 -19.307   4.660  -4.643
   14    HA   HIS   0           HA       HIS   0 -16.945   3.174  -5.271
   15    HB2  HIS   0           HB2      HIS   0 -17.140   4.261  -7.517
   16    HB3  HIS   0           HB1      HIS   0 -18.590   3.412  -7.002
   17    HD1  HIS   0           HD1      HIS   0 -17.328   6.756  -7.969
   18    HD2  HIS   0           HD2      HIS   0 -20.786   5.100  -6.361
   19    HE1  HIS   0           HE1      HIS   0 -19.091   8.540  -8.161
   20    HE2  HIS   0           HE2      HIS   0 -21.202   7.467  -7.312
   21    H    MET   1           HN       MET   1 -17.369   6.029  -3.701
   22    HA   MET   1           HA       MET   1 -15.133   7.521  -4.637
   23    HB2  MET   1           HB2      MET   1 -15.383   8.812  -2.574
   24    HB3  MET   1           HB1      MET   1 -16.946   8.555  -3.335
   25    HG2  MET   1           HG2      MET   1 -17.419   6.750  -1.753
   26    HG3  MET   1           HG1      MET   1 -15.853   7.014  -0.990
   27    HE1  MET   1           HE1      MET   1 -19.356  10.020  -0.892
   28    HE2  MET   1           HE2      MET   1 -19.446   8.421  -1.628
   29    HE3  MET   1           HE3      MET   1 -18.449   9.674  -2.362
   30    H    ALA   2           HN       ALA   2 -15.420   4.665  -2.863
   31    HA   ALA   2           HA       ALA   2 -12.916   4.974  -1.436
   32    HB1  ALA   2           HB1      ALA   2 -13.388   2.761  -0.523
   33    HB2  ALA   2           HB2      ALA   2 -14.790   2.612  -1.583
   34    HB3  ALA   2           HB3      ALA   2 -14.772   3.835  -0.310
   35    H    VAL   3           HN       VAL   3 -11.128   3.716  -1.832
   36    HA   VAL   3           HA       VAL   3 -10.985   2.615  -4.552
   37    HB   VAL   3           HB       VAL   3  -8.814   3.845  -2.845
   38   HG11  VAL   3          HG11      VAL   3  -8.659   2.686  -5.626
   39   HG12  VAL   3          HG12      VAL   3  -7.900   2.035  -4.173
   40   HG13  VAL   3          HG13      VAL   3  -7.374   3.588  -4.822
   41   HG21  VAL   3          HG21      VAL   3 -10.395   5.455  -3.805
   42   HG22  VAL   3          HG22      VAL   3 -10.089   4.792  -5.411
   43   HG23  VAL   3          HG23      VAL   3  -8.793   5.604  -4.532
   44    H    LEU   4           HN       LEU   4 -10.059   0.625  -4.878
   45    HA   LEU   4           HA       LEU   4  -9.963  -1.136  -2.609
   46    HB2  LEU   4           HB2      LEU   4  -9.656  -1.515  -5.566
   47    HB3  LEU   4           HB1      LEU   4  -9.286  -2.812  -4.448
   48    HG   LEU   4           HG       LEU   4 -11.965  -1.438  -4.646
   49   HD11  LEU   4          HD11      LEU   4 -11.060  -4.111  -5.697
   50   HD12  LEU   4          HD12      LEU   4 -11.501  -2.702  -6.663
   51   HD13  LEU   4          HD13      LEU   4 -12.721  -3.521  -5.688
   52   HD21  LEU   4          HD21      LEU   4 -11.002  -3.829  -3.082
   53   HD22  LEU   4          HD22      LEU   4 -12.699  -3.402  -3.302
   54   HD23  LEU   4          HD23      LEU   4 -11.623  -2.304  -2.444
   55    H    CYS   5           HN       CYS   5  -8.212  -2.460  -2.064
   56    HA   CYS   5           HA       CYS   5  -5.766  -1.220  -1.688
   57    HB2  CYS   5           HB2      CYS   5  -6.568  -3.119  -0.360
   58    HB3  CYS   5           HB1      CYS   5  -6.419  -4.176  -1.750
   59    H    GLY   6           HN       GLY   6  -4.074  -0.862  -2.981
   60    HA2  GLY   6           HA2      GLY   6  -4.122  -1.582  -5.718
   61    HA3  GLY   6           HA1      GLY   6  -2.770  -0.851  -4.873
   62    H    VAL   7           HN       VAL   7  -2.995  -3.311  -2.990
   63    HA   VAL   7           HA       VAL   7  -1.178  -4.935  -4.584
   64    HB   VAL   7           HB       VAL   7  -1.834  -5.017  -1.639
   65   HG11  VAL   7          HG11      VAL   7   0.186  -6.645  -3.179
   66   HG12  VAL   7          HG12      VAL   7  -1.300  -7.255  -2.450
   67   HG13  VAL   7          HG13      VAL   7  -0.008  -6.626  -1.426
   68   HG21  VAL   7          HG21      VAL   7   0.634  -4.131  -3.132
   69   HG22  VAL   7          HG22      VAL   7   0.461  -4.196  -1.377
   70   HG23  VAL   7          HG23      VAL   7  -0.529  -3.082  -2.322
   71    H    CYS   8           HN       CYS   8  -3.974  -5.588  -2.435
   72    HA   CYS   8           HA       CYS   8  -4.274  -8.152  -3.832
   73    HB2  CYS   8           HB2      CYS   8  -5.316  -9.024  -1.859
   74    HB3  CYS   8           HB1      CYS   8  -3.828  -8.224  -1.376
   75    H    GLY   9           HN       GLY   9  -5.817  -5.161  -3.222
   76    HA2  GLY   9           HA2      GLY   9  -7.860  -4.277  -3.800
   77    HA3  GLY   9           HA1      GLY   9  -7.589  -5.208  -5.259
   78    H    ILE  10           HN       ILE  10  -8.674  -5.893  -1.904
   79    HA   ILE  10           HA       ILE  10 -11.098  -7.050  -3.050
   80    HB   ILE  10           HB       ILE  10 -10.845  -8.958  -1.310
   81   HG12  ILE  10          HG12      ILE  10  -8.426  -9.682  -1.119
   82   HG13  ILE  10          HG11      ILE  10  -7.980  -8.063  -1.650
   83   HG21  ILE  10          HG21      ILE  10  -9.718 -10.360  -2.974
   84   HG22  ILE  10          HG22      ILE  10  -9.233  -8.908  -3.849
   85   HG23  ILE  10          HG23      ILE  10 -10.942  -9.314  -3.693
   86   HD11  ILE  10          HD11      ILE  10  -7.842  -8.225   0.744
   87   HD12  ILE  10          HD12      ILE  10  -9.518  -8.768   0.835
   88   HD13  ILE  10          HD13      ILE  10  -9.148  -7.130   0.287
   89    H    LYS  11           HN       LYS  11  -9.795  -5.039  -0.690
   90    HA   LYS  11           HA       LYS  11 -12.316  -4.984   0.732
   91    HB2  LYS  11           HB2      LYS  11 -11.436  -5.399   2.927
   92    HB3  LYS  11           HB1      LYS  11 -11.010  -6.750   1.891
   93    HG2  LYS  11           HG2      LYS  11  -8.739  -5.747   1.636
   94    HG3  LYS  11           HG1      LYS  11  -9.203  -4.535   2.834
   95    HD2  LYS  11           HD2      LYS  11  -9.776  -6.468   4.359
   96    HD3  LYS  11           HD1      LYS  11  -8.961  -7.503   3.191
   97    HE2  LYS  11           HE2      LYS  11  -6.915  -6.186   3.480
   98    HE3  LYS  11           HE1      LYS  11  -7.738  -5.197   4.684
   99    HZ1  LYS  11           HZ1      LYS  11  -7.995  -7.132   6.078
  100    HZ2  LYS  11           HZ2      LYS  11  -6.364  -6.932   5.686
  101    HZ3  LYS  11           HZ3      LYS  11  -7.277  -8.121   4.909
  102    H    GLU  12           HN       GLU  12 -11.301  -3.027  -0.860
  103    HA   GLU  12           HA       GLU  12 -10.815  -0.810  -0.972
  104    HB2  GLU  12           HB2      GLU  12 -11.700  -0.994   1.901
  105    HB3  GLU  12           HB1      GLU  12 -11.206   0.529   1.180
  106    HG2  GLU  12           HG2      GLU  12 -13.590   0.373   1.126
  107    HG3  GLU  12           HG1      GLU  12 -12.976   0.256  -0.521
  108    H    PHE  13           HN       PHE  13  -9.540   1.007   0.487
  109    HA   PHE  13           HA       PHE  13  -6.979  -0.233   1.215
  110    HB2  PHE  13           HB2      PHE  13  -5.851   1.640   0.359
  111    HB3  PHE  13           HB1      PHE  13  -7.104   1.321  -0.830
  112    HD1  PHE  13           HD2      PHE  13  -9.156   2.762  -0.851
  113    HD2  PHE  13           HD1      PHE  13  -5.735   3.686   1.507
  114    HE1  PHE  13           HE2      PHE  13  -9.942   5.082  -0.625
  115    HE2  PHE  13           HE1      PHE  13  -6.511   6.010   1.732
  116    HZ   PHE  13           HZ       PHE  13  -8.619   6.709   0.667
  117    H    LYS  14           HN       LYS  14  -5.737   0.958   2.848
  118    HA   LYS  14           HA       LYS  14  -7.277   2.754   4.566
  119    HB2  LYS  14           HB2      LYS  14  -7.520   0.484   5.511
  120    HB3  LYS  14           HB1      LYS  14  -5.772   0.328   5.573
  121    HG2  LYS  14           HG2      LYS  14  -5.652   2.152   7.175
  122    HG3  LYS  14           HG1      LYS  14  -7.404   2.343   7.096
  123    HD2  LYS  14           HD2      LYS  14  -7.652   0.024   7.923
  124    HD3  LYS  14           HD1      LYS  14  -5.897  -0.074   8.087
  125    HE2  LYS  14           HE2      LYS  14  -6.893   0.444  10.229
  126    HE3  LYS  14           HE1      LYS  14  -5.960   1.822   9.651
  127    HZ1  LYS  14           HZ1      LYS  14  -8.084   2.512  10.566
  128    HZ2  LYS  14           HZ2      LYS  14  -8.909   1.535   9.460
  129    HZ3  LYS  14           HZ3      LYS  14  -8.012   2.859   8.914
  130    H    TYR  15           HN       TYR  15  -4.370   1.688   3.140
  131    HA   TYR  15           HA       TYR  15  -2.869   3.842   4.472
  132    HB2  TYR  15           HB2      TYR  15  -1.836   1.185   3.457
  133    HB3  TYR  15           HB1      TYR  15  -0.820   2.491   4.043
  134    HD1  TYR  15           HD2      TYR  15  -3.693   0.391   5.167
  135    HD2  TYR  15           HD1      TYR  15  -0.109   2.410   6.231
  136    HE1  TYR  15           HE2      TYR  15  -3.863  -0.522   7.441
  137    HE2  TYR  15           HE1      TYR  15  -0.258   1.494   8.507
  138    HH   TYR  15           HH       TYR  15  -2.344  -1.034   9.335
  139    H    LYS  16           HN       LYS  16  -0.825   4.295   3.037
  140    HA   LYS  16           HA       LYS  16  -1.065   3.912   0.224
  141    HB2  LYS  16           HB2      LYS  16  -2.713   5.764   0.584
  142    HB3  LYS  16           HB1      LYS  16  -1.417   6.739   1.256
  143    HG2  LYS  16           HG2      LYS  16  -0.273   6.789  -0.861
  144    HG3  LYS  16           HG1      LYS  16  -1.424   5.639  -1.547
  145    HD2  LYS  16           HD2      LYS  16  -1.983   7.859  -2.298
  146    HD3  LYS  16           HD1      LYS  16  -3.230   7.293  -1.189
  147    HE2  LYS  16           HE2      LYS  16  -2.738   9.574  -0.665
  148    HE3  LYS  16           HE1      LYS  16  -2.105   8.561   0.631
  149    HZ1  LYS  16           HZ1      LYS  16  -0.540  10.282   0.006
  150    HZ2  LYS  16           HZ2      LYS  16  -0.517   9.730  -1.588
  151    HZ3  LYS  16           HZ3      LYS  16   0.097   8.759  -0.348
  152    H    CYS  17           HN       CYS  17   0.997   3.165   0.289
  153    HA   CYS  17           HA       CYS  17   3.099   3.970   1.843
  154    HB2  CYS  17           HB2      CYS  17   3.227   1.987   0.432
  155    HB3  CYS  17           HB1      CYS  17   3.235   2.986  -1.018
  156    HA   PRO  18           HA       PRO  18   3.867   8.155   0.610
  157    HB2  PRO  18           HB2      PRO  18   6.400   8.318   1.707
  158    HB3  PRO  18           HB1      PRO  18   4.896   8.584   2.595
  159    HG2  PRO  18           HG2      PRO  18   6.653   6.193   2.463
  160    HG3  PRO  18           HG1      PRO  18   5.737   6.840   3.838
  161    HD2  PRO  18           HD2      PRO  18   4.911   4.672   2.451
  162    HD3  PRO  18           HD1      PRO  18   3.773   5.825   3.178
  163    H    ARG  19           HN       ARG  19   5.836   5.458  -0.247
  164    HA   ARG  19           HA       ARG  19   7.321   7.050  -2.205
  165    HB2  ARG  19           HB2      ARG  19   7.639   4.162  -1.380
  166    HB3  ARG  19           HB1      ARG  19   8.633   4.982  -2.573
  167    HG2  ARG  19           HG2      ARG  19   9.131   6.642  -0.647
  168    HG3  ARG  19           HG1      ARG  19   8.547   5.331   0.389
  169    HD2  ARG  19           HD2      ARG  19  10.967   5.232   0.132
  170    HD3  ARG  19           HD1      ARG  19  10.192   3.819  -0.583
  171    HE   ARG  19           HE       ARG  19  10.568   5.812  -2.550
  172   HH11  ARG  19          HH11      ARG  19  12.366   3.498  -0.638
  173   HH12  ARG  19          HH12      ARG  19  13.632   3.316  -1.808
  174   HH21  ARG  19          HH21      ARG  19  12.225   5.578  -4.101
  175   HH22  ARG  19          HH22      ARG  19  13.552   4.507  -3.785
  176    H    CYS  20           HN       CYS  20   5.370   4.095  -2.034
  177    HA   CYS  20           HA       CYS  20   5.402   3.841  -4.899
  178    HB2  CYS  20           HB2      CYS  20   3.945   2.194  -2.829
  179    HB3  CYS  20           HB1      CYS  20   4.169   1.766  -4.519
  180    H    LEU  21           HN       LEU  21   3.368   5.199  -2.546
  181    HA   LEU  21           HA       LEU  21   1.362   6.213  -2.546
  182    HB2  LEU  21           HB2      LEU  21   1.613   6.231  -5.551
  183    HB3  LEU  21           HB1      LEU  21   0.552   7.238  -4.584
  184    HG   LEU  21           HG       LEU  21   3.521   7.420  -4.927
  185   HD11  LEU  21          HD11      LEU  21   2.999   9.760  -5.332
  186   HD12  LEU  21          HD12      LEU  21   1.296   9.440  -5.003
  187   HD13  LEU  21          HD13      LEU  21   2.078   8.705  -6.403
  188   HD21  LEU  21          HD21      LEU  21   3.549   9.068  -3.075
  189   HD22  LEU  21          HD22      LEU  21   3.267   7.410  -2.546
  190   HD23  LEU  21          HD23      LEU  21   1.919   8.549  -2.636
  191    H    VAL  22           HN       VAL  22   1.707   3.231  -3.110
  192    HA   VAL  22           HA       VAL  22  -0.750   2.517  -4.386
  193    HB   VAL  22           HB       VAL  22   1.202   1.039  -4.579
  194   HG11  VAL  22          HG11      VAL  22   1.976  -0.310  -2.715
  195   HG12  VAL  22          HG12      VAL  22   0.858   0.520  -1.633
  196   HG13  VAL  22          HG13      VAL  22   2.189   1.408  -2.374
  197   HG21  VAL  22          HG21      VAL  22  -0.978   0.065  -4.864
  198   HG22  VAL  22          HG22      VAL  22  -1.136  -0.181  -3.124
  199   HG23  VAL  22          HG23      VAL  22   0.073  -1.086  -4.038
  200    H    GLN  23           HN       GLN  23  -2.612   2.494  -3.467
  201    HA   GLN  23           HA       GLN  23  -2.930   2.984  -0.655
  202    HB2  GLN  23           HB2      GLN  23  -4.947   2.456  -2.847
  203    HB3  GLN  23           HB1      GLN  23  -5.352   2.959  -1.212
  204    HG2  GLN  23           HG2      GLN  23  -4.292   5.066  -1.508
  205    HG3  GLN  23           HG1      GLN  23  -3.587   4.561  -3.042
  206   HE21  GLN  23          HE21      GLN  23  -6.487   5.576  -1.415
  207   HE22  GLN  23          HE22      GLN  23  -7.405   5.916  -2.839
  208    H    THR  24           HN       THR  24  -2.192   1.239   0.442
  209    HA   THR  24           HA       THR  24  -3.083  -1.434  -0.217
  210    HB   THR  24           HB       THR  24  -1.709  -1.997   1.874
  211    HG1  THR  24           HG1      THR  24  -0.336  -0.363   2.602
  212   HG21  THR  24          HG21      THR  24  -0.375  -0.641  -0.469
  213   HG22  THR  24          HG22      THR  24  -0.838  -2.341  -0.361
  214   HG23  THR  24          HG23      THR  24   0.430  -1.704   0.686
  215    H    CYS  25           HN       CYS  25  -4.181  -2.792   1.271
  216    HA   CYS  25           HA       CYS  25  -6.326  -1.472   2.637
  217    HB2  CYS  25           HB2      CYS  25  -7.111  -3.747   3.169
  218    HB3  CYS  25           HB1      CYS  25  -6.731  -3.598   1.461
  219    H    SER  26           HN       SER  26  -3.319  -2.987   3.491
  220    HA   SER  26           HA       SER  26  -3.474  -2.018   6.176
  221    HB2  SER  26           HB2      SER  26  -3.502  -5.017   5.726
  222    HB3  SER  26           HB1      SER  26  -3.285  -4.217   7.281
  223    HG   SER  26           HG       SER  26  -5.477  -3.218   6.176
  224    H    LEU  27           HN       LEU  27  -1.474  -3.008   7.436
  225    HA   LEU  27           HA       LEU  27   0.779  -2.140   5.981
  226    HB2  LEU  27           HB2      LEU  27   0.197  -2.415   8.604
  227    HB3  LEU  27           HB1      LEU  27   1.212  -3.823   8.376
  228    HG   LEU  27           HG       LEU  27   2.465  -1.880   9.223
  229   HD11  LEU  27          HD11      LEU  27   3.650  -3.546   7.922
  230   HD12  LEU  27          HD12      LEU  27   4.297  -1.937   7.609
  231   HD13  LEU  27          HD13      LEU  27   3.232  -2.701   6.432
  232   HD21  LEU  27          HD21      LEU  27   2.855   0.056   7.826
  233   HD22  LEU  27          HD22      LEU  27   1.129  -0.134   8.134
  234   HD23  LEU  27          HD23      LEU  27   1.805  -0.605   6.575
  235    H    GLU  28           HN       GLU  28  -0.615  -5.294   6.535
  236    HA   GLU  28           HA       GLU  28   1.564  -6.907   5.861
  237    HB2  GLU  28           HB2      GLU  28  -0.618  -7.677   6.823
  238    HB3  GLU  28           HB1      GLU  28  -1.330  -7.486   5.228
  239    HG2  GLU  28           HG2      GLU  28   0.093  -9.183   4.321
  240    HG3  GLU  28           HG1      GLU  28   1.003  -9.287   5.829
  241    H    CYS  29           HN       CYS  29  -0.653  -5.104   3.828
  242    HA   CYS  29           HA       CYS  29   0.476  -6.253   1.418
  243    HB2  CYS  29           HB2      CYS  29  -1.773  -4.403   2.016
  244    HB3  CYS  29           HB1      CYS  29  -1.042  -4.328   0.420
  245    H    SER  30           HN       SER  30   0.777  -3.390   3.385
  246    HA   SER  30           HA       SER  30   2.247  -1.820   1.561
  247    HB2  SER  30           HB2      SER  30   2.381  -1.878   4.587
  248    HB3  SER  30           HB1      SER  30   3.059  -0.613   3.565
  249    HG   SER  30           HG       SER  30   1.153   0.246   3.854
  250    H    LYS  31           HN       LYS  31   3.160  -4.379   3.805
  251    HA   LYS  31           HA       LYS  31   5.967  -4.091   3.173
  252    HB2  LYS  31           HB2      LYS  31   6.334  -5.922   4.690
  253    HB3  LYS  31           HB1      LYS  31   5.190  -4.806   5.421
  254    HG2  LYS  31           HG2      LYS  31   3.351  -6.265   4.870
  255    HG3  LYS  31           HG1      LYS  31   4.441  -7.358   4.017
  256    HD2  LYS  31           HD2      LYS  31   4.603  -6.706   6.957
  257    HD3  LYS  31           HD1      LYS  31   3.848  -8.151   6.288
  258    HE2  LYS  31           HE2      LYS  31   5.981  -8.827   5.320
  259    HE3  LYS  31           HE1      LYS  31   6.742  -7.368   5.949
  260    HZ1  LYS  31           HZ1      LYS  31   7.183  -9.286   7.347
  261    HZ2  LYS  31           HZ2      LYS  31   5.527  -9.518   7.594
  262    HZ3  LYS  31           HZ3      LYS  31   6.281  -8.126   8.186
  263    H    LYS  32           HN       LYS  32   3.330  -5.492   1.689
  264    HA   LYS  32           HA       LYS  32   4.461  -7.912   0.714
  265    HB2  LYS  32           HB2      LYS  32   1.989  -7.258   0.853
  266    HB3  LYS  32           HB1      LYS  32   2.260  -6.338  -0.616
  267    HG2  LYS  32           HG2      LYS  32   1.370  -8.372  -1.338
  268    HG3  LYS  32           HG1      LYS  32   3.107  -8.524  -1.622
  269    HD2  LYS  32           HD2      LYS  32   3.393  -9.884   0.297
  270    HD3  LYS  32           HD1      LYS  32   1.772  -9.513   0.885
  271    HE2  LYS  32           HE2      LYS  32   1.833 -11.747  -0.042
  272    HE3  LYS  32           HE1      LYS  32   0.816 -10.705  -1.033
  273    HZ1  LYS  32           HZ1      LYS  32   2.617 -10.490  -2.611
  274    HZ2  LYS  32           HZ2      LYS  32   2.255 -12.122  -2.365
  275    HZ3  LYS  32           HZ3      LYS  32   3.626 -11.443  -1.646
  276    H    HIS  33           HN       HIS  33   4.195  -4.617  -0.563
  277    HA   HIS  33           HA       HIS  33   5.364  -5.334  -3.085
  278    HB2  HIS  33           HB2      HIS  33   5.260  -2.974  -3.634
  279    HB3  HIS  33           HB1      HIS  33   3.748  -3.470  -2.893
  280    HD1  HIS  33           HD1      HIS  33   2.902  -1.591  -1.478
  281    HD2  HIS  33           HD2      HIS  33   7.028  -1.937  -1.299
  282    HE1  HIS  33           HE1      HIS  33   3.705   0.222   0.093
  283    H    LYS  34           HN       LYS  34   6.652  -4.784  -0.033
  284    HA   LYS  34           HA       LYS  34   8.900  -3.182  -0.757
  285    HB2  LYS  34           HB2      LYS  34   8.388  -4.835   1.721
  286    HB3  LYS  34           HB1      LYS  34   9.696  -3.675   1.532
  287    HG2  LYS  34           HG2      LYS  34   8.009  -1.895   1.193
  288    HG3  LYS  34           HG1      LYS  34   6.746  -3.081   1.528
  289    HD2  LYS  34           HD2      LYS  34   7.791  -3.479   3.749
  290    HD3  LYS  34           HD1      LYS  34   8.933  -2.180   3.399
  291    HE2  LYS  34           HE2      LYS  34   7.039  -0.619   3.150
  292    HE3  LYS  34           HE1      LYS  34   5.931  -1.920   3.577
  293    HZ1  LYS  34           HZ1      LYS  34   8.051  -0.765   5.308
  294    HZ2  LYS  34           HZ2      LYS  34   7.101  -2.099   5.723
  295    HZ3  LYS  34           HZ3      LYS  34   6.381  -0.588   5.505
  296    H    THR  35           HN       THR  35   8.203  -6.504  -0.951
  297    HA   THR  35           HA       THR  35  11.027  -7.254  -0.932
  298    HB   THR  35           HB       THR  35   9.382  -8.565   0.407
  299    HG1  THR  35           HG1      THR  35  10.992  -9.703  -1.612
  300   HG21  THR  35          HG21      THR  35   7.908 -10.147  -0.765
  301   HG22  THR  35          HG22      THR  35   8.351  -9.403  -2.302
  302   HG23  THR  35          HG23      THR  35   7.471  -8.470  -1.091
  303    H    ARG  36           HN       ARG  36   9.055  -6.016  -3.149
  304    HA   ARG  36           HA       ARG  36  10.307  -7.556  -5.305
  305    HB2  ARG  36           HB2      ARG  36   8.160  -7.396  -6.606
  306    HB3  ARG  36           HB1      ARG  36   8.127  -8.489  -5.232
  307    HG2  ARG  36           HG2      ARG  36   6.988  -6.758  -3.908
  308    HG3  ARG  36           HG1      ARG  36   6.971  -5.712  -5.331
  309    HD2  ARG  36           HD2      ARG  36   4.833  -6.827  -5.103
  310    HD3  ARG  36           HD1      ARG  36   5.669  -7.414  -6.540
  311    HE   ARG  36           HE       ARG  36   6.058  -9.011  -4.160
  312   HH11  ARG  36          HH11      ARG  36   4.132  -8.506  -7.038
  313   HH12  ARG  36          HH12      ARG  36   3.534 -10.134  -7.077
  314   HH21  ARG  36          HH21      ARG  36   5.268 -11.148  -4.199
  315   HH22  ARG  36          HH22      ARG  36   4.192 -11.643  -5.468
  316    H    ASP  37           HN       ASP  37   8.998  -4.537  -4.152
  317    HA   ASP  37           HA       ASP  37   9.962  -3.208  -6.588
  318    HB2  ASP  37           HB2      ASP  37   8.133  -2.236  -4.385
  319    HB3  ASP  37           HB1      ASP  37   8.743  -1.200  -5.671
  320    H    ASN  38           HN       ASN  38  11.056  -4.074  -3.651
  321    HA   ASN  38           HA       ASN  38  12.668  -3.434  -2.202
  322    HB2  ASN  38           HB2      ASN  38  14.009  -3.438  -4.306
  323    HB3  ASN  38           HB1      ASN  38  13.676  -1.720  -4.483
  324   HD21  ASN  38          HD21      ASN  38  14.774  -0.267  -3.230
  325   HD22  ASN  38          HD22      ASN  38  16.083  -0.712  -2.194
  326    H    CYS  39           HN       CYS  39  11.313  -2.383  -0.770
  327    HA   CYS  39           HA       CYS  39  11.468   0.519  -0.727
  328    HB2  CYS  39           HB2      CYS  39   9.497   0.006  -2.134
  329    HB3  CYS  39           HB1      CYS  39   8.831  -0.972  -0.836
  330    H    SER  40           HN       SER  40  10.955   1.393   1.359
  331    HA   SER  40           HA       SER  40  10.626  -0.635   3.468
  332    HB2  SER  40           HB2      SER  40  11.831   2.133   3.716
  333    HB3  SER  40           HB1      SER  40  11.703   0.938   5.006
  334    HG   SER  40           HG       SER  40  12.901  -0.360   3.162
  335    H    GLY  41           HN       GLY  41   9.061   1.763   1.789
  336    HA2  GLY  41           HA2      GLY  41   6.969   2.686   2.035
  337    HA3  GLY  41           HA1      GLY  41   6.757   1.688   3.461
  338    H    GLN  42           HN       GLN  42   9.093   4.233   2.709
  339    HA   GLN  42           HA       GLN  42   8.016   5.986   4.728
  340    HB2  GLN  42           HB2      GLN  42   9.510   4.343   5.957
  341    HB3  GLN  42           HB1      GLN  42  10.850   4.951   4.996
  342    HG2  GLN  42           HG2      GLN  42  10.477   7.192   5.920
  343    HG3  GLN  42           HG1      GLN  42   9.175   6.546   6.920
  344   HE21  GLN  42          HE21      GLN  42  12.597   6.675   6.396
  345   HE22  GLN  42          HE22      GLN  42  13.062   6.001   7.919
  346    H    THR  43           HN       THR  43   8.957   8.127   4.483
  347    HA   THR  43           HA       THR  43  10.623   8.396   2.110
  348    HB   THR  43           HB       THR  43   7.904   9.666   2.415
  349    HG1  THR  43           HG1      THR  43   8.953   7.499   1.065
  350   HG21  THR  43          HG21      THR  43   8.301  10.676   0.233
  351   HG22  THR  43          HG22      THR  43   9.949  10.048   0.232
  352   HG23  THR  43          HG23      THR  43   9.469  11.263   1.417
  353    H    HIS  44           HN       HIS  44  12.263   9.136   3.447
  354    HA   HIS  44           HA       HIS  44  11.908  11.688   4.790
  355    HB2  HIS  44           HB2      HIS  44  13.472   9.823   5.598
  356    HB3  HIS  44           HB1      HIS  44  14.514  10.247   4.247
  357    HD1  HIS  44           HD1      HIS  44  14.070  10.924   7.719
  358    HD2  HIS  44           HD2      HIS  44  15.253  13.179   4.430
  359    HE1  HIS  44           HE1      HIS  44  15.305  12.900   8.660
  360    HE2  HIS  44           HE2      HIS  44  15.920  14.301   6.663
  361    H    ASP  45           HN       ASP  45  11.102  12.587   2.718
  362    HA   ASP  45           HA       ASP  45  13.280  13.636   1.078
  363    HB2  ASP  45           HB2      ASP  45  12.524  11.622  -0.100
  364    HB3  ASP  45           HB1      ASP  45  10.862  12.195  -0.042
  Start of MODEL    3
    1    H1   GLY  -2           HT1      GLY  -2 -14.838   6.138 -13.997
    2    H2   GLY  -2           HT2      GLY  -2 -14.519   6.141 -12.340
    3    H3   GLY  -2           HT3      GLY  -2 -14.589   7.602 -13.189
    4    HA2  GLY  -2           HA1      GLY  -2 -16.931   7.268 -13.642
    5    HA3  GLY  -2           HA2      GLY  -2 -16.862   5.747 -12.765
    6    HA   PRO  -1           HA       PRO  -1 -18.164   8.601  -9.513
    7    HB2  PRO  -1           HB2      PRO  -1 -19.229   6.752  -7.874
    8    HB3  PRO  -1           HB1      PRO  -1 -20.060   7.296  -9.337
    9    HG2  PRO  -1           HG2      PRO  -1 -18.456   4.812  -8.881
   10    HG3  PRO  -1           HG1      PRO  -1 -19.997   5.009  -9.735
   11    HD2  PRO  -1           HD2      PRO  -1 -17.580   4.833 -10.999
   12    HD3  PRO  -1           HD1      PRO  -1 -18.978   5.694 -11.670
   13    H    HIS   0           HN       HIS   0 -15.805   6.209  -9.571
   14    HA   HIS   0           HA       HIS   0 -13.910   5.840  -8.391
   15    HB2  HIS   0           HB2      HIS   0 -13.866   8.352  -8.238
   16    HB3  HIS   0           HB1      HIS   0 -14.668   8.216  -6.680
   17    HD1  HIS   0           HD1      HIS   0 -11.390   7.498  -8.377
   18    HD2  HIS   0           HD2      HIS   0 -13.014   7.565  -4.557
   19    HE1  HIS   0           HE1      HIS   0  -9.437   7.337  -6.809
   20    HE2  HIS   0           HE2      HIS   0 -10.433   7.667  -4.524
   21    H    MET   1           HN       MET   1 -15.716   7.165  -5.651
   22    HA   MET   1           HA       MET   1 -16.383   6.269  -3.679
   23    HB2  MET   1           HB2      MET   1 -17.082   3.960  -5.493
   24    HB3  MET   1           HB1      MET   1 -17.637   4.129  -3.833
   25    HG2  MET   1           HG2      MET   1 -18.234   6.008  -6.104
   26    HG3  MET   1           HG1      MET   1 -19.344   4.828  -5.406
   27    HE1  MET   1           HE1      MET   1 -21.089   6.887  -5.186
   28    HE2  MET   1           HE2      MET   1 -19.877   8.017  -5.790
   29    HE3  MET   1           HE3      MET   1 -20.734   8.361  -4.287
   30    H    ALA   2           HN       ALA   2 -14.165   6.257  -2.960
   31    HA   ALA   2           HA       ALA   2 -12.452   5.348  -1.804
   32    HB1  ALA   2           HB1      ALA   2 -14.221   4.061  -0.678
   33    HB2  ALA   2           HB2      ALA   2 -12.711   3.158  -0.804
   34    HB3  ALA   2           HB3      ALA   2 -14.051   2.792  -1.891
   35    H    VAL   3           HN       VAL   3 -10.927   3.296  -1.865
   36    HA   VAL   3           HA       VAL   3 -10.443   2.555  -4.663
   37    HB   VAL   3           HB       VAL   3  -8.372   3.579  -2.719
   38   HG11  VAL   3          HG11      VAL   3  -7.987   2.439  -5.487
   39   HG12  VAL   3          HG12      VAL   3  -7.467   1.699  -3.974
   40   HG13  VAL   3          HG13      VAL   3  -6.738   3.212  -4.512
   41   HG21  VAL   3          HG21      VAL   3  -9.315   4.635  -5.381
   42   HG22  VAL   3          HG22      VAL   3  -7.998   5.305  -4.420
   43   HG23  VAL   3          HG23      VAL   3  -9.648   5.341  -3.799
   44    H    LEU   4           HN       LEU   4 -10.093   0.439  -4.935
   45    HA   LEU   4           HA       LEU   4  -9.886  -1.350  -2.721
   46    HB2  LEU   4           HB2      LEU   4  -9.662  -1.700  -5.697
   47    HB3  LEU   4           HB1      LEU   4  -9.334  -3.024  -4.597
   48    HG   LEU   4           HG       LEU   4 -11.958  -1.546  -4.831
   49   HD11  LEU   4          HD11      LEU   4 -11.176  -4.330  -5.686
   50   HD12  LEU   4          HD12      LEU   4 -11.477  -2.967  -6.763
   51   HD13  LEU   4          HD13      LEU   4 -12.790  -3.627  -5.789
   52   HD21  LEU   4          HD21      LEU   4 -11.139  -3.913  -3.140
   53   HD22  LEU   4          HD22      LEU   4 -12.797  -3.351  -3.360
   54   HD23  LEU   4          HD23      LEU   4 -11.615  -2.312  -2.564
   55    H    CYS   5           HN       CYS   5  -8.183  -2.396  -1.933
   56    HA   CYS   5           HA       CYS   5  -5.700  -1.313  -1.723
   57    HB2  CYS   5           HB2      CYS   5  -6.644  -3.179  -0.386
   58    HB3  CYS   5           HB1      CYS   5  -6.335  -4.266  -1.729
   59    H    GLY   6           HN       GLY   6  -4.102  -0.935  -3.106
   60    HA2  GLY   6           HA2      GLY   6  -4.156  -1.754  -5.793
   61    HA3  GLY   6           HA1      GLY   6  -2.793  -1.004  -4.986
   62    H    VAL   7           HN       VAL   7  -2.887  -3.342  -3.021
   63    HA   VAL   7           HA       VAL   7  -1.046  -4.966  -4.561
   64    HB   VAL   7           HB       VAL   7  -1.736  -5.007  -1.622
   65   HG11  VAL   7          HG11      VAL   7   0.145  -6.533  -1.342
   66   HG12  VAL   7          HG12      VAL   7   0.385  -6.574  -3.089
   67   HG13  VAL   7          HG13      VAL   7  -1.088  -7.242  -2.386
   68   HG21  VAL   7          HG21      VAL   7  -0.503  -3.032  -2.345
   69   HG22  VAL   7          HG22      VAL   7   0.717  -4.058  -3.097
   70   HG23  VAL   7          HG23      VAL   7   0.509  -4.075  -1.347
   71    H    CYS   8           HN       CYS   8  -3.704  -5.793  -2.295
   72    HA   CYS   8           HA       CYS   8  -3.776  -8.420  -3.547
   73    HB2  CYS   8           HB2      CYS   8  -5.074  -9.148  -1.643
   74    HB3  CYS   8           HB1      CYS   8  -3.670  -8.253  -1.077
   75    H    GLY   9           HN       GLY   9  -5.754  -5.591  -3.153
   76    HA2  GLY   9           HA2      GLY   9  -7.484  -4.797  -4.409
   77    HA3  GLY   9           HA1      GLY   9  -7.140  -6.079  -5.551
   78    H    ILE  10           HN       ILE  10  -8.152  -6.580  -2.174
   79    HA   ILE  10           HA       ILE  10 -10.623  -7.706  -3.311
   80    HB   ILE  10           HB       ILE  10 -10.609  -9.235  -1.253
   81   HG12  ILE  10          HG12      ILE  10  -8.217  -9.816  -0.576
   82   HG13  ILE  10          HG11      ILE  10  -7.751  -8.270  -1.271
   83   HG21  ILE  10          HG21      ILE  10  -8.579  -9.589  -3.448
   84   HG22  ILE  10          HG22      ILE  10 -10.290 -10.010  -3.523
   85   HG23  ILE  10          HG23      ILE  10  -9.217 -10.875  -2.423
   86   HD11  ILE  10          HD11      ILE  10  -7.997  -8.022   1.087
   87   HD12  ILE  10          HD12      ILE  10  -9.614  -8.724   1.038
   88   HD13  ILE  10          HD13      ILE  10  -9.309  -7.156   0.284
   89    H    LYS  11           HN       LYS  11  -9.445  -5.337  -1.251
   90    HA   LYS  11           HA       LYS  11 -12.131  -4.655  -0.464
   91    HB2  LYS  11           HB2      LYS  11 -11.768  -4.559   1.909
   92    HB3  LYS  11           HB1      LYS  11 -11.381  -6.184   1.364
   93    HG2  LYS  11           HG2      LYS  11  -9.016  -5.702   1.484
   94    HG3  LYS  11           HG1      LYS  11  -9.354  -4.024   1.902
   95    HD2  LYS  11           HD2      LYS  11  -8.774  -5.268   3.895
   96    HD3  LYS  11           HD1      LYS  11 -10.467  -4.783   3.961
   97    HE2  LYS  11           HE2      LYS  11 -11.130  -7.027   3.231
   98    HE3  LYS  11           HE1      LYS  11  -9.436  -7.507   3.178
   99    HZ1  LYS  11           HZ1      LYS  11  -9.290  -7.062   5.556
  100    HZ2  LYS  11           HZ2      LYS  11 -10.462  -8.230   5.223
  101    HZ3  LYS  11           HZ3      LYS  11 -10.929  -6.651   5.595
  102    H    GLU  12           HN       GLU  12 -12.061  -2.535   0.862
  103    HA   GLU  12           HA       GLU  12 -10.628  -0.640  -0.659
  104    HB2  GLU  12           HB2      GLU  12 -12.199  -0.399   1.898
  105    HB3  GLU  12           HB1      GLU  12 -11.382   0.977   1.175
  106    HG2  GLU  12           HG2      GLU  12 -13.548   1.164   0.394
  107    HG3  GLU  12           HG1      GLU  12 -12.700   0.395  -0.945
  108    H    PHE  13           HN       PHE  13  -9.207   1.004   0.234
  109    HA   PHE  13           HA       PHE  13  -6.981  -0.307   1.516
  110    HB2  PHE  13           HB2      PHE  13  -5.681   1.556   0.809
  111    HB3  PHE  13           HB1      PHE  13  -6.781   1.173  -0.510
  112    HD1  PHE  13           HD1      PHE  13  -8.865   2.581  -0.781
  113    HD2  PHE  13           HD2      PHE  13  -5.651   3.670   1.785
  114    HE1  PHE  13           HE1      PHE  13  -9.648   4.913  -0.798
  115    HE2  PHE  13           HE2      PHE  13  -6.417   6.007   1.756
  116    HZ   PHE  13           HZ       PHE  13  -8.424   6.628   0.475
  117    H    LYS  14           HN       LYS  14  -5.695   0.852   3.132
  118    HA   LYS  14           HA       LYS  14  -7.189   2.641   4.890
  119    HB2  LYS  14           HB2      LYS  14  -7.472   0.379   5.785
  120    HB3  LYS  14           HB1      LYS  14  -5.733   0.143   5.769
  121    HG2  LYS  14           HG2      LYS  14  -5.472   1.877   7.459
  122    HG3  LYS  14           HG1      LYS  14  -7.215   2.146   7.461
  123    HD2  LYS  14           HD2      LYS  14  -7.590  -0.120   8.244
  124    HD3  LYS  14           HD1      LYS  14  -5.862  -0.459   8.158
  125    HE2  LYS  14           HE2      LYS  14  -7.093   1.659   9.910
  126    HE3  LYS  14           HE1      LYS  14  -6.704   0.030  10.453
  127    HZ1  LYS  14           HZ1      LYS  14  -4.731   1.956   9.352
  128    HZ2  LYS  14           HZ2      LYS  14  -4.393   0.431  10.004
  129    HZ3  LYS  14           HZ3      LYS  14  -4.977   1.666  10.997
  130    H    TYR  15           HN       TYR  15  -4.363   1.711   3.310
  131    HA   TYR  15           HA       TYR  15  -2.796   3.758   4.729
  132    HB2  TYR  15           HB2      TYR  15  -1.837   1.085   3.681
  133    HB3  TYR  15           HB1      TYR  15  -0.768   2.372   4.230
  134    HD1  TYR  15           HD1      TYR  15  -3.563   0.205   5.369
  135    HD2  TYR  15           HD2      TYR  15  -0.139   2.474   6.457
  136    HE1  TYR  15           HE1      TYR  15  -3.723  -0.667   7.663
  137    HE2  TYR  15           HE2      TYR  15  -0.285   1.610   8.756
  138    HH   TYR  15           HH       TYR  15  -2.149  -1.015   9.625
  139    H    LYS  16           HN       LYS  16  -0.844   4.381   3.349
  140    HA   LYS  16           HA       LYS  16  -1.166   4.146   0.491
  141    HB2  LYS  16           HB2      LYS  16  -2.708   6.036   1.339
  142    HB3  LYS  16           HB1      LYS  16  -1.229   6.921   1.674
  143    HG2  LYS  16           HG2      LYS  16  -0.655   7.026  -0.607
  144    HG3  LYS  16           HG1      LYS  16  -1.870   5.827  -1.052
  145    HD2  LYS  16           HD2      LYS  16  -3.552   7.524  -0.047
  146    HD3  LYS  16           HD1      LYS  16  -2.239   8.684  -0.241
  147    HE2  LYS  16           HE2      LYS  16  -2.116   8.120  -2.626
  148    HE3  LYS  16           HE1      LYS  16  -3.455   6.991  -2.414
  149    HZ1  LYS  16           HZ1      LYS  16  -4.229   9.087  -3.296
  150    HZ2  LYS  16           HZ2      LYS  16  -3.573   9.925  -1.983
  151    HZ3  LYS  16           HZ3      LYS  16  -4.856   8.851  -1.743
  152    H    CYS  17           HN       CYS  17   0.871   3.409   0.247
  153    HA   CYS  17           HA       CYS  17   3.062   3.920   1.830
  154    HB2  CYS  17           HB2      CYS  17   3.076   2.096   0.228
  155    HB3  CYS  17           HB1      CYS  17   3.059   3.237  -1.117
  156    HA   PRO  18           HA       PRO  18   4.221   8.122   1.027
  157    HB2  PRO  18           HB2      PRO  18   6.810   7.874   1.941
  158    HB3  PRO  18           HB1      PRO  18   5.403   8.133   2.979
  159    HG2  PRO  18           HG2      PRO  18   6.845   5.602   2.319
  160    HG3  PRO  18           HG1      PRO  18   6.186   6.145   3.871
  161    HD2  PRO  18           HD2      PRO  18   4.923   4.329   2.363
  162    HD3  PRO  18           HD1      PRO  18   4.029   5.534   3.311
  163    H    ARG  19           HN       ARG  19   5.884   5.353  -0.274
  164    HA   ARG  19           HA       ARG  19   7.357   7.077  -2.141
  165    HB2  ARG  19           HB2      ARG  19   7.648   4.129  -1.560
  166    HB3  ARG  19           HB1      ARG  19   8.572   4.998  -2.774
  167    HG2  ARG  19           HG2      ARG  19   9.381   6.484  -0.895
  168    HG3  ARG  19           HG1      ARG  19   8.673   5.302   0.209
  169    HD2  ARG  19           HD2      ARG  19  10.939   4.692  -0.007
  170    HD3  ARG  19           HD1      ARG  19  10.042   3.554  -1.011
  171    HE   ARG  19           HE       ARG  19  11.246   5.931  -2.250
  172   HH11  ARG  19          HH11      ARG  19  11.111   2.443  -1.926
  173   HH12  ARG  19          HH12      ARG  19  12.186   2.154  -3.249
  174   HH21  ARG  19          HH21      ARG  19  12.650   5.556  -3.979
  175   HH22  ARG  19          HH22      ARG  19  13.068   3.924  -4.416
  176    H    CYS  20           HN       CYS  20   5.302   4.185  -2.110
  177    HA   CYS  20           HA       CYS  20   5.177   4.139  -4.988
  178    HB2  CYS  20           HB2      CYS  20   3.708   2.411  -2.993
  179    HB3  CYS  20           HB1      CYS  20   3.899   2.090  -4.710
  180    H    LEU  21           HN       LEU  21   3.348   5.445  -2.442
  181    HA   LEU  21           HA       LEU  21   1.357   6.474  -2.233
  182    HB2  LEU  21           HB2      LEU  21   1.288   6.535  -5.247
  183    HB3  LEU  21           HB1      LEU  21   0.315   7.508  -4.163
  184    HG   LEU  21           HG       LEU  21   3.199   7.789  -4.881
  185   HD11  LEU  21          HD11      LEU  21   2.539  10.137  -5.080
  186   HD12  LEU  21          HD12      LEU  21   0.909   9.714  -4.549
  187   HD13  LEU  21          HD13      LEU  21   1.534   9.083  -6.074
  188   HD21  LEU  21          HD21      LEU  21   1.947   8.816  -2.335
  189   HD22  LEU  21          HD22      LEU  21   3.499   9.341  -2.986
  190   HD23  LEU  21          HD23      LEU  21   3.282   7.668  -2.471
  191    H    VAL  22           HN       VAL  22   1.675   3.467  -3.215
  192    HA   VAL  22           HA       VAL  22  -0.871   2.814  -4.232
  193    HB   VAL  22           HB       VAL  22   1.118   1.362  -4.560
  194   HG11  VAL  22          HG11      VAL  22   0.734   0.627  -1.666
  195   HG12  VAL  22          HG12      VAL  22   2.086   1.543  -2.327
  196   HG13  VAL  22          HG13      VAL  22   1.848  -0.140  -2.797
  197   HG21  VAL  22          HG21      VAL  22  -0.040  -0.774  -4.241
  198   HG22  VAL  22          HG22      VAL  22  -1.108   0.462  -4.909
  199   HG23  VAL  22          HG23      VAL  22  -1.220   0.028  -3.203
  200    H    GLN  23           HN       GLN  23  -2.666   2.473  -3.267
  201    HA   GLN  23           HA       GLN  23  -2.876   2.976  -0.425
  202    HB2  GLN  23           HB2      GLN  23  -4.985   2.559  -2.558
  203    HB3  GLN  23           HB1      GLN  23  -5.294   3.085  -0.906
  204    HG2  GLN  23           HG2      GLN  23  -4.218   5.142  -1.240
  205    HG3  GLN  23           HG1      GLN  23  -3.462   4.598  -2.735
  206   HE21  GLN  23          HE21      GLN  23  -6.335   5.850  -1.268
  207   HE22  GLN  23          HE22      GLN  23  -7.190   6.162  -2.737
  208    H    THR  24           HN       THR  24  -2.516   1.338   0.855
  209    HA   THR  24           HA       THR  24  -3.218  -1.371  -0.012
  210    HB   THR  24           HB       THR  24  -1.717  -1.957   2.023
  211    HG1  THR  24           HG1      THR  24  -0.590   0.578   1.465
  212   HG21  THR  24          HG21      THR  24  -1.114  -2.334  -0.323
  213   HG22  THR  24          HG22      THR  24   0.276  -1.847   0.643
  214   HG23  THR  24          HG23      THR  24  -0.504  -0.682  -0.426
  215    H    CYS  25           HN       CYS  25  -4.278  -2.788   1.392
  216    HA   CYS  25           HA       CYS  25  -6.366  -1.502   2.875
  217    HB2  CYS  25           HB2      CYS  25  -7.369  -3.692   3.018
  218    HB3  CYS  25           HB1      CYS  25  -6.719  -3.492   1.404
  219    H    SER  26           HN       SER  26  -3.375  -3.035   3.627
  220    HA   SER  26           HA       SER  26  -3.667  -2.418   6.412
  221    HB2  SER  26           HB2      SER  26  -3.474  -5.318   5.555
  222    HB3  SER  26           HB1      SER  26  -3.258  -4.743   7.205
  223    HG   SER  26           HG       SER  26  -5.582  -3.893   5.984
  224    H    LEU  27           HN       LEU  27  -1.617  -3.171   7.626
  225    HA   LEU  27           HA       LEU  27   0.576  -2.036   6.280
  226    HB2  LEU  27           HB2      LEU  27   0.015  -2.405   8.845
  227    HB3  LEU  27           HB1      LEU  27   0.993  -3.838   8.624
  228    HG   LEU  27           HG       LEU  27   2.232  -1.900   9.567
  229   HD11  LEU  27          HD11      LEU  27   3.192  -2.805   6.863
  230   HD12  LEU  27          HD12      LEU  27   3.441  -3.649   8.392
  231   HD13  LEU  27          HD13      LEU  27   4.182  -2.070   8.123
  232   HD21  LEU  27          HD21      LEU  27   2.799  -0.015   8.176
  233   HD22  LEU  27          HD22      LEU  27   1.046  -0.141   8.320
  234   HD23  LEU  27          HD23      LEU  27   1.851  -0.671   6.843
  235    H    GLU  28           HN       GLU  28  -0.484  -5.345   6.686
  236    HA   GLU  28           HA       GLU  28   1.756  -6.754   5.871
  237    HB2  GLU  28           HB2      GLU  28  -0.280  -7.840   6.672
  238    HB3  GLU  28           HB1      GLU  28  -1.141  -7.321   5.232
  239    HG2  GLU  28           HG2      GLU  28   0.449  -8.675   3.875
  240    HG3  GLU  28           HG1      GLU  28   1.129  -9.288   5.381
  241    H    CYS  29           HN       CYS  29  -0.785  -5.297   3.843
  242    HA   CYS  29           HA       CYS  29   0.516  -6.017   1.407
  243    HB2  CYS  29           HB2      CYS  29  -1.819  -4.260   2.099
  244    HB3  CYS  29           HB1      CYS  29  -1.184  -4.321   0.465
  245    H    SER  30           HN       SER  30   0.627  -3.321   3.604
  246    HA   SER  30           HA       SER  30   1.765  -1.394   1.880
  247    HB2  SER  30           HB2      SER  30   2.225  -1.634   4.860
  248    HB3  SER  30           HB1      SER  30   2.323  -0.174   3.877
  249    HG   SER  30           HG       SER  30   0.021  -0.553   3.430
  250    H    LYS  31           HN       LYS  31   3.061  -4.142   3.555
  251    HA   LYS  31           HA       LYS  31   5.773  -3.321   2.784
  252    HB2  LYS  31           HB2      LYS  31   6.602  -4.840   4.477
  253    HB3  LYS  31           HB1      LYS  31   5.435  -3.732   5.182
  254    HG2  LYS  31           HG2      LYS  31   3.720  -5.510   5.021
  255    HG3  LYS  31           HG1      LYS  31   4.976  -6.614   4.456
  256    HD2  LYS  31           HD2      LYS  31   6.227  -6.231   6.532
  257    HD3  LYS  31           HD1      LYS  31   4.946  -5.159   7.098
  258    HE2  LYS  31           HE2      LYS  31   3.359  -7.021   7.010
  259    HE3  LYS  31           HE1      LYS  31   4.648  -8.090   6.459
  260    HZ1  LYS  31           HZ1      LYS  31   4.573  -6.668   9.064
  261    HZ2  LYS  31           HZ2      LYS  31   5.810  -7.691   8.539
  262    HZ3  LYS  31           HZ3      LYS  31   4.266  -8.314   8.828
  263    H    LYS  32           HN       LYS  32   3.291  -5.143   1.726
  264    HA   LYS  32           HA       LYS  32   4.512  -7.571   0.951
  265    HB2  LYS  32           HB2      LYS  32   2.052  -7.136   1.036
  266    HB3  LYS  32           HB1      LYS  32   2.217  -6.127  -0.392
  267    HG2  LYS  32           HG2      LYS  32   1.427  -8.221  -1.129
  268    HG3  LYS  32           HG1      LYS  32   3.133  -8.153  -1.573
  269    HD2  LYS  32           HD2      LYS  32   3.723  -9.518   0.327
  270    HD3  LYS  32           HD1      LYS  32   2.054  -9.497   0.898
  271    HE2  LYS  32           HE2      LYS  32   2.524 -11.598  -0.205
  272    HE3  LYS  32           HE1      LYS  32   1.360 -10.669  -1.146
  273    HZ1  LYS  32           HZ1      LYS  32   3.036 -11.662  -2.561
  274    HZ2  LYS  32           HZ2      LYS  32   4.268 -10.883  -1.705
  275    HZ3  LYS  32           HZ3      LYS  32   3.164  -9.977  -2.607
  276    H    HIS  33           HN       HIS  33   4.107  -4.448  -0.641
  277    HA   HIS  33           HA       HIS  33   5.267  -5.321  -3.103
  278    HB2  HIS  33           HB2      HIS  33   5.159  -2.977  -3.787
  279    HB3  HIS  33           HB1      HIS  33   3.644  -3.477  -3.049
  280    HD1  HIS  33           HD1      HIS  33   2.734  -1.570  -1.717
  281    HD2  HIS  33           HD2      HIS  33   6.863  -1.827  -1.464
  282    HE1  HIS  33           HE1      HIS  33   3.474   0.303  -0.184
  283    H    LYS  34           HN       LYS  34   6.609  -4.589  -0.123
  284    HA   LYS  34           HA       LYS  34   8.897  -3.115  -1.015
  285    HB2  LYS  34           HB2      LYS  34   8.334  -4.509   1.608
  286    HB3  LYS  34           HB1      LYS  34   9.723  -3.475   1.306
  287    HG2  LYS  34           HG2      LYS  34   8.224  -1.587   0.887
  288    HG3  LYS  34           HG1      LYS  34   6.834  -2.623   1.205
  289    HD2  LYS  34           HD2      LYS  34   7.638  -2.987   3.491
  290    HD3  LYS  34           HD1      LYS  34   9.031  -1.956   3.164
  291    HE2  LYS  34           HE2      LYS  34   7.557  -0.060   2.770
  292    HE3  LYS  34           HE1      LYS  34   6.144  -1.080   3.035
  293    HZ1  LYS  34           HZ1      LYS  34   6.829  -1.410   5.314
  294    HZ2  LYS  34           HZ2      LYS  34   6.732   0.245   4.993
  295    HZ3  LYS  34           HZ3      LYS  34   8.240  -0.514   5.069
  296    H    THR  35           HN       THR  35   8.062  -6.436  -0.769
  297    HA   THR  35           HA       THR  35  10.851  -7.290  -0.813
  298    HB   THR  35           HB       THR  35   9.162  -8.403   0.681
  299    HG1  THR  35           HG1      THR  35  10.558  -9.941  -1.270
  300   HG21  THR  35          HG21      THR  35   7.637 -10.036  -0.317
  301   HG22  THR  35          HG22      THR  35   8.125  -9.513  -1.928
  302   HG23  THR  35          HG23      THR  35   7.269  -8.400  -0.861
  303    H    ARG  36           HN       ARG  36   8.647  -6.317  -3.037
  304    HA   ARG  36           HA       ARG  36   9.727  -8.131  -5.091
  305    HB2  ARG  36           HB2      ARG  36   7.517  -7.480  -6.327
  306    HB3  ARG  36           HB1      ARG  36   7.504  -8.741  -5.103
  307    HG2  ARG  36           HG2      ARG  36   6.585  -7.248  -3.478
  308    HG3  ARG  36           HG1      ARG  36   6.776  -5.873  -4.567
  309    HD2  ARG  36           HD2      ARG  36   5.105  -8.232  -5.352
  310    HD3  ARG  36           HD1      ARG  36   4.448  -6.969  -4.313
  311    HE   ARG  36           HE       ARG  36   5.440  -5.534  -6.357
  312   HH11  ARG  36          HH11      ARG  36   3.429  -8.407  -6.303
  313   HH12  ARG  36          HH12      ARG  36   2.550  -7.974  -7.731
  314   HH21  ARG  36          HH21      ARG  36   4.281  -4.969  -8.246
  315   HH22  ARG  36          HH22      ARG  36   3.028  -6.017  -8.834
  316    H    ASP  37           HN       ASP  37   8.528  -4.859  -4.440
  317    HA   ASP  37           HA       ASP  37   9.700  -3.961  -6.970
  318    HB2  ASP  37           HB2      ASP  37   7.739  -2.632  -5.095
  319    HB3  ASP  37           HB1      ASP  37   8.434  -1.839  -6.503
  320    H    ASN  38           HN       ASN  38  10.610  -4.337  -3.887
  321    HA   ASN  38           HA       ASN  38  12.243  -3.549  -2.556
  322    HB2  ASN  38           HB2      ASN  38  13.105  -2.496  -5.218
  323    HB3  ASN  38           HB1      ASN  38  14.007  -2.077  -3.766
  324   HD21  ASN  38          HD21      ASN  38  15.832  -3.180  -4.341
  325   HD22  ASN  38          HD22      ASN  38  15.910  -4.905  -4.410
  326    H    CYS  39           HN       CYS  39  11.067  -2.324  -1.150
  327    HA   CYS  39           HA       CYS  39  11.154   0.556  -1.599
  328    HB2  CYS  39           HB2      CYS  39   8.972  -0.174  -2.436
  329    HB3  CYS  39           HB1      CYS  39   8.637  -0.962  -0.903
  330    H    SER  40           HN       SER  40  11.545   1.696   0.195
  331    HA   SER  40           HA       SER  40  12.036   0.295   2.661
  332    HB2  SER  40           HB2      SER  40  12.801   2.570   3.422
  333    HB3  SER  40           HB1      SER  40  13.629   1.973   1.983
  334    HG   SER  40           HG       SER  40  13.065   3.961   1.378
  335    H    GLY  41           HN       GLY  41   9.604   2.333   1.282
  336    HA2  GLY  41           HA2      GLY  41   7.592   3.115   2.082
  337    HA3  GLY  41           HA1      GLY  41   7.789   2.021   3.445
  338    H    GLN  42           HN       GLN  42  10.202   4.378   2.642
  339    HA   GLN  42           HA       GLN  42   9.472   5.991   4.983
  340    HB2  GLN  42           HB2      GLN  42  12.250   4.932   4.411
  341    HB3  GLN  42           HB1      GLN  42  11.775   5.930   5.777
  342    HG2  GLN  42           HG2      GLN  42  10.545   4.180   6.760
  343    HG3  GLN  42           HG1      GLN  42  10.596   3.216   5.286
  344   HE21  GLN  42          HE21      GLN  42  13.358   4.940   6.550
  345   HE22  GLN  42          HE22      GLN  42  14.261   3.539   7.009
  346    H    THR  43           HN       THR  43   8.968   6.736   2.413
  347    HA   THR  43           HA       THR  43   9.420   8.074   0.644
  348    HB   THR  43           HB       THR  43  10.372  10.346   1.299
  349    HG1  THR  43           HG1      THR  43  10.895   8.975   3.575
  350   HG21  THR  43          HG21      THR  43   7.967   9.341   2.812
  351   HG22  THR  43          HG22      THR  43   7.970   9.815   1.114
  352   HG23  THR  43          HG23      THR  43   8.305  11.014   2.366
  353    H    HIS  44           HN       HIS  44  12.221   9.530   2.051
  354    HA   HIS  44           HA       HIS  44  14.403   9.603   1.477
  355    HB2  HIS  44           HB2      HIS  44  14.478   7.208   1.985
  356    HB3  HIS  44           HB1      HIS  44  13.943   6.832   0.350
  357    HD1  HIS  44           HD1      HIS  44  15.720   6.579  -1.401
  358    HD2  HIS  44           HD2      HIS  44  17.128   8.401   2.070
  359    HE1  HIS  44           HE1      HIS  44  18.213   6.763  -1.686
  360    HE2  HIS  44           HE2      HIS  44  19.055   7.746   0.474
  361    H    ASP  45           HN       ASP  45  13.173   7.720  -1.295
  362    HA   ASP  45           HA       ASP  45  13.547  10.065  -2.985
  363    HB2  ASP  45           HB2      ASP  45  14.933   8.951  -4.593
  364    HB3  ASP  45           HB1      ASP  45  15.695   8.773  -3.020
  Start of MODEL    4
    1    H1   GLY  -2           HT1      GLY  -2 -19.854   2.862   1.755
    2    H2   GLY  -2           HT2      GLY  -2 -21.318   3.603   2.154
    3    H3   GLY  -2           HT3      GLY  -2 -20.319   2.997   3.375
    4    HA2  GLY  -2           HA1      GLY  -2 -20.118   5.378   3.296
    5    HA3  GLY  -2           HA2      GLY  -2 -18.610   4.620   2.800
    6    HA   PRO  -1           HA       PRO  -1 -19.574   7.824  -0.418
    7    HB2  PRO  -1           HB2      PRO  -1 -16.629   7.604  -0.671
    8    HB3  PRO  -1           HB1      PRO  -1 -17.643   9.045  -0.556
    9    HG2  PRO  -1           HG2      PRO  -1 -16.146   8.260   1.506
   10    HG3  PRO  -1           HG1      PRO  -1 -17.767   8.938   1.752
   11    HD2  PRO  -1           HD2      PRO  -1 -16.871   6.085   1.842
   12    HD3  PRO  -1           HD1      PRO  -1 -18.032   6.935   2.880
   13    H    HIS   0           HN       HIS   0 -19.821   7.422  -2.561
   14    HA   HIS   0           HA       HIS   0 -19.129   4.772  -3.494
   15    HB2  HIS   0           HB2      HIS   0 -20.455   5.356  -5.506
   16    HB3  HIS   0           HB1      HIS   0 -21.355   5.565  -4.010
   17    HD1  HIS   0           HD1      HIS   0 -19.960   7.451  -6.908
   18    HD2  HIS   0           HD2      HIS   0 -22.045   8.224  -3.398
   19    HE1  HIS   0           HE1      HIS   0 -20.787   9.810  -7.121
   20    HE2  HIS   0           HE2      HIS   0 -21.871  10.316  -4.907
   21    H    MET   1           HN       MET   1 -16.938   6.384  -3.000
   22    HA   MET   1           HA       MET   1 -15.668   6.281  -5.619
   23    HB2  MET   1           HB2      MET   1 -14.498   8.406  -5.254
   24    HB3  MET   1           HB1      MET   1 -16.234   8.637  -5.363
   25    HG2  MET   1           HG2      MET   1 -16.395   8.887  -2.971
   26    HG3  MET   1           HG1      MET   1 -14.683   8.516  -2.789
   27    HE1  MET   1           HE1      MET   1 -17.322  11.077  -4.119
   28    HE2  MET   1           HE2      MET   1 -16.372  10.773  -5.574
   29    HE3  MET   1           HE3      MET   1 -16.303  12.350  -4.789
   30    H    ALA   2           HN       ALA   2 -15.669   4.526  -3.474
   31    HA   ALA   2           HA       ALA   2 -13.297   4.897  -1.901
   32    HB1  ALA   2           HB1      ALA   2 -15.039   2.453  -2.192
   33    HB2  ALA   2           HB2      ALA   2 -15.256   3.721  -0.987
   34    HB3  ALA   2           HB3      ALA   2 -13.804   2.721  -0.964
   35    H    VAL   3           HN       VAL   3 -11.527   3.447  -1.952
   36    HA   VAL   3           HA       VAL   3 -11.005   2.408  -4.653
   37    HB   VAL   3           HB       VAL   3  -9.009   3.668  -2.765
   38   HG11  VAL   3          HG11      VAL   3  -8.687   2.672  -5.593
   39   HG12  VAL   3          HG12      VAL   3  -8.011   1.933  -4.140
   40   HG13  VAL   3          HG13      VAL   3  -7.459   3.527  -4.657
   41   HG21  VAL   3          HG21      VAL   3 -10.553   5.312  -3.716
   42   HG22  VAL   3          HG22      VAL   3 -10.178   4.727  -5.338
   43   HG23  VAL   3          HG23      VAL   3  -8.926   5.507  -4.370
   44    H    LEU   4           HN       LEU   4 -10.337   0.361  -4.810
   45    HA   LEU   4           HA       LEU   4 -10.102  -1.249  -2.436
   46    HB2  LEU   4           HB2      LEU   4  -9.833  -1.871  -5.374
   47    HB3  LEU   4           HB1      LEU   4  -9.563  -3.069  -4.126
   48    HG   LEU   4           HG       LEU   4 -12.168  -1.590  -4.500
   49   HD11  LEU   4          HD11      LEU   4 -11.686  -2.975  -6.449
   50   HD12  LEU   4          HD12      LEU   4 -12.998  -3.662  -5.493
   51   HD13  LEU   4          HD13      LEU   4 -11.380  -4.358  -5.400
   52   HD21  LEU   4          HD21      LEU   4 -11.851  -2.404  -2.240
   53   HD22  LEU   4          HD22      LEU   4 -11.404  -4.000  -2.845
   54   HD23  LEU   4          HD23      LEU   4 -13.049  -3.399  -3.067
   55    H    CYS   5           HN       CYS   5  -8.292  -2.474  -1.883
   56    HA   CYS   5           HA       CYS   5  -5.879  -1.199  -1.650
   57    HB2  CYS   5           HB2      CYS   5  -6.617  -3.165  -0.366
   58    HB3  CYS   5           HB1      CYS   5  -6.384  -4.172  -1.781
   59    H    GLY   6           HN       GLY   6  -4.179  -0.827  -2.920
   60    HA2  GLY   6           HA2      GLY   6  -4.278  -1.441  -5.694
   61    HA3  GLY   6           HA1      GLY   6  -2.941  -0.679  -4.850
   62    H    VAL   7           HN       VAL   7  -3.038  -3.178  -3.027
   63    HA   VAL   7           HA       VAL   7  -1.204  -4.712  -4.691
   64    HB   VAL   7           HB       VAL   7  -1.774  -4.882  -1.729
   65   HG11  VAL   7          HG11      VAL   7  -1.125  -7.064  -2.616
   66   HG12  VAL   7          HG12      VAL   7   0.150  -6.384  -1.605
   67   HG13  VAL   7          HG13      VAL   7   0.300  -6.342  -3.361
   68   HG21  VAL   7          HG21      VAL   7   0.463  -3.920  -1.489
   69   HG22  VAL   7          HG22      VAL   7  -0.598  -2.850  -2.407
   70   HG23  VAL   7          HG23      VAL   7   0.611  -3.823  -3.244
   71    H    CYS   8           HN       CYS   8  -3.670  -5.696  -2.280
   72    HA   CYS   8           HA       CYS   8  -3.918  -8.209  -3.712
   73    HB2  CYS   8           HB2      CYS   8  -5.144  -9.023  -1.793
   74    HB3  CYS   8           HB1      CYS   8  -3.687  -8.205  -1.241
   75    H    GLY   9           HN       GLY   9  -5.852  -5.423  -2.893
   76    HA2  GLY   9           HA2      GLY   9  -7.603  -4.471  -4.001
   77    HA3  GLY   9           HA1      GLY   9  -7.340  -5.637  -5.278
   78    H    ILE  10           HN       ILE  10  -8.065  -6.720  -2.022
   79    HA   ILE  10           HA       ILE  10 -10.576  -7.741  -3.143
   80    HB   ILE  10           HB       ILE  10 -10.494  -9.291  -1.088
   81   HG12  ILE  10          HG12      ILE  10  -8.073  -9.795  -0.462
   82   HG13  ILE  10          HG11      ILE  10  -7.670  -8.235  -1.156
   83   HG21  ILE  10          HG21      ILE  10 -10.191 -10.033  -3.378
   84   HG22  ILE  10          HG22      ILE  10  -9.083 -10.883  -2.300
   85   HG23  ILE  10          HG23      ILE  10  -8.490  -9.571  -3.320
   86   HD11  ILE  10          HD11      ILE  10  -9.212  -7.167   0.436
   87   HD12  ILE  10          HD12      ILE  10  -7.878  -8.021   1.215
   88   HD13  ILE  10          HD13      ILE  10  -9.486  -8.744   1.181
   89    H    LYS  11           HN       LYS  11  -9.398  -5.500  -0.881
   90    HA   LYS  11           HA       LYS  11 -12.134  -4.837  -0.193
   91    HB2  LYS  11           HB2      LYS  11 -11.743  -4.623   2.182
   92    HB3  LYS  11           HB1      LYS  11 -11.385  -6.270   1.690
   93    HG2  LYS  11           HG2      LYS  11  -9.082  -5.972   1.949
   94    HG3  LYS  11           HG1      LYS  11  -9.219  -4.213   1.934
   95    HD2  LYS  11           HD2      LYS  11  -8.770  -5.072   4.186
   96    HD3  LYS  11           HD1      LYS  11 -10.332  -4.262   4.097
   97    HE2  LYS  11           HE2      LYS  11 -10.577  -6.264   5.393
   98    HE3  LYS  11           HE1      LYS  11 -11.410  -6.484   3.858
   99    HZ1  LYS  11           HZ1      LYS  11  -8.731  -7.545   4.563
  100    HZ2  LYS  11           HZ2      LYS  11  -9.476  -7.721   3.060
  101    HZ3  LYS  11           HZ3      LYS  11 -10.158  -8.443   4.424
  102    H    GLU  12           HN       GLU  12 -11.990  -2.735   1.279
  103    HA   GLU  12           HA       GLU  12 -10.933  -0.737  -0.378
  104    HB2  GLU  12           HB2      GLU  12 -11.977  -0.683   2.445
  105    HB3  GLU  12           HB1      GLU  12 -11.451   0.770   1.607
  106    HG2  GLU  12           HG2      GLU  12 -13.121   0.417  -0.109
  107    HG3  GLU  12           HG1      GLU  12 -13.627  -1.082   0.672
  108    H    PHE  13           HN       PHE  13  -9.508   1.023   0.401
  109    HA   PHE  13           HA       PHE  13  -7.049  -0.138   1.444
  110    HB2  PHE  13           HB2      PHE  13  -5.908   1.682   0.481
  111    HB3  PHE  13           HB1      PHE  13  -7.175   1.297  -0.679
  112    HD1  PHE  13           HD2      PHE  13  -9.220   2.748  -0.783
  113    HD2  PHE  13           HD1      PHE  13  -5.784   3.782   1.516
  114    HE1  PHE  13           HE2      PHE  13  -9.988   5.085  -0.682
  115    HE2  PHE  13           HE1      PHE  13  -6.541   6.122   1.602
  116    HZ   PHE  13           HZ       PHE  13  -8.650   6.772   0.512
  117    H    LYS  14           HN       LYS  14  -5.757   1.176   2.940
  118    HA   LYS  14           HA       LYS  14  -7.236   2.989   4.669
  119    HB2  LYS  14           HB2      LYS  14  -7.628   0.860   5.732
  120    HB3  LYS  14           HB1      LYS  14  -5.931   0.429   5.603
  121    HG2  LYS  14           HG2      LYS  14  -5.332   2.110   7.216
  122    HG3  LYS  14           HG1      LYS  14  -6.998   2.692   7.278
  123    HD2  LYS  14           HD2      LYS  14  -7.738   0.603   8.225
  124    HD3  LYS  14           HD1      LYS  14  -6.129  -0.097   8.033
  125    HE2  LYS  14           HE2      LYS  14  -6.562   0.598  10.348
  126    HE3  LYS  14           HE1      LYS  14  -5.220   1.486   9.630
  127    HZ1  LYS  14           HZ1      LYS  14  -6.748   2.900  10.908
  128    HZ2  LYS  14           HZ2      LYS  14  -7.997   2.516   9.835
  129    HZ3  LYS  14           HZ3      LYS  14  -6.642   3.367   9.287
  130    H    TYR  15           HN       TYR  15  -4.348   1.731   3.339
  131    HA   TYR  15           HA       TYR  15  -2.762   3.809   4.688
  132    HB2  TYR  15           HB2      TYR  15  -1.868   1.139   3.578
  133    HB3  TYR  15           HB1      TYR  15  -0.793   2.362   4.244
  134    HD1  TYR  15           HD1      TYR  15  -3.786   0.350   5.179
  135    HD2  TYR  15           HD2      TYR  15  -0.197   2.220   6.461
  136    HE1  TYR  15           HE1      TYR  15  -4.084  -0.626   7.422
  137    HE2  TYR  15           HE2      TYR  15  -0.481   1.253   8.702
  138    HH   TYR  15           HH       TYR  15  -2.303   0.395  10.118
  139    H    LYS  16           HN       LYS  16  -0.666   4.140   3.225
  140    HA   LYS  16           HA       LYS  16  -1.065   4.094   0.406
  141    HB2  LYS  16           HB2      LYS  16  -2.621   5.950   1.249
  142    HB3  LYS  16           HB1      LYS  16  -1.164   6.832   1.673
  143    HG2  LYS  16           HG2      LYS  16  -0.505   7.022  -0.593
  144    HG3  LYS  16           HG1      LYS  16  -1.722   5.854  -1.117
  145    HD2  LYS  16           HD2      LYS  16  -3.453   7.465  -0.193
  146    HD3  LYS  16           HD1      LYS  16  -2.145   8.643  -0.074
  147    HE2  LYS  16           HE2      LYS  16  -2.937   7.225  -2.608
  148    HE3  LYS  16           HE1      LYS  16  -3.503   8.827  -2.149
  149    HZ1  LYS  16           HZ1      LYS  16  -0.670   8.066  -2.589
  150    HZ2  LYS  16           HZ2      LYS  16  -1.225   9.608  -2.175
  151    HZ3  LYS  16           HZ3      LYS  16  -1.632   8.933  -3.673
  152    H    CYS  17           HN       CYS  17   0.980   3.273   0.311
  153    HA   CYS  17           HA       CYS  17   3.193   3.890   1.782
  154    HB2  CYS  17           HB2      CYS  17   3.207   2.061   0.176
  155    HB3  CYS  17           HB1      CYS  17   3.121   3.198  -1.166
  156    HA   PRO  18           HA       PRO  18   3.953   8.158   0.752
  157    HB2  PRO  18           HB2      PRO  18   6.344   8.364   2.043
  158    HB3  PRO  18           HB1      PRO  18   4.785   8.413   2.873
  159    HG2  PRO  18           HG2      PRO  18   6.688   6.130   2.547
  160    HG3  PRO  18           HG1      PRO  18   5.787   6.638   3.988
  161    HD2  PRO  18           HD2      PRO  18   4.983   4.574   2.449
  162    HD3  PRO  18           HD1      PRO  18   3.827   5.648   3.265
  163    H    ARG  19           HN       ARG  19   5.733   5.428  -0.167
  164    HA   ARG  19           HA       ARG  19   7.484   6.983  -1.926
  165    HB2  ARG  19           HB2      ARG  19   7.535   4.098  -1.054
  166    HB3  ARG  19           HB1      ARG  19   8.551   4.721  -2.345
  167    HG2  ARG  19           HG2      ARG  19   9.483   6.365  -0.705
  168    HG3  ARG  19           HG1      ARG  19   8.577   5.519   0.557
  169    HD2  ARG  19           HD2      ARG  19  11.015   4.864   0.250
  170    HD3  ARG  19           HD1      ARG  19   9.833   3.560   0.303
  171    HE   ARG  19           HE       ARG  19  10.026   3.913  -2.316
  172   HH11  ARG  19          HH11      ARG  19  12.595   3.851   0.068
  173   HH12  ARG  19          HH12      ARG  19  13.735   3.096  -1.000
  174   HH21  ARG  19          HH21      ARG  19  11.528   2.938  -3.723
  175   HH22  ARG  19          HH22      ARG  19  13.133   2.589  -3.162
  176    H    CYS  20           HN       CYS  20   5.130   4.309  -2.021
  177    HA   CYS  20           HA       CYS  20   5.262   4.289  -4.936
  178    HB2  CYS  20           HB2      CYS  20   3.695   2.518  -3.058
  179    HB3  CYS  20           HB1      CYS  20   3.824   2.303  -4.795
  180    H    LEU  21           HN       LEU  21   3.264   5.435  -2.421
  181    HA   LEU  21           HA       LEU  21   1.302   6.527  -2.306
  182    HB2  LEU  21           HB2      LEU  21   1.334   6.592  -5.319
  183    HB3  LEU  21           HB1      LEU  21   0.305   7.545  -4.271
  184    HG   LEU  21           HG       LEU  21   3.214   7.865  -4.862
  185   HD11  LEU  21          HD11      LEU  21   1.598   9.147  -6.130
  186   HD12  LEU  21          HD12      LEU  21   2.537  10.207  -5.081
  187   HD13  LEU  21          HD13      LEU  21   0.888   9.762  -4.638
  188   HD21  LEU  21          HD21      LEU  21   1.818   8.809  -2.365
  189   HD22  LEU  21          HD22      LEU  21   3.356   9.445  -2.946
  190   HD23  LEU  21          HD23      LEU  21   3.226   7.750  -2.473
  191    H    VAL  22           HN       VAL  22   1.662   3.519  -3.247
  192    HA   VAL  22           HA       VAL  22  -0.851   2.835  -4.323
  193    HB   VAL  22           HB       VAL  22   1.124   1.374  -4.566
  194   HG11  VAL  22          HG11      VAL  22   2.074   1.640  -2.327
  195   HG12  VAL  22          HG12      VAL  22   1.862  -0.059  -2.750
  196   HG13  VAL  22          HG13      VAL  22   0.726   0.727  -1.652
  197   HG21  VAL  22          HG21      VAL  22  -1.074   0.442  -4.917
  198   HG22  VAL  22          HG22      VAL  22  -1.237   0.104  -3.194
  199   HG23  VAL  22          HG23      VAL  22  -0.033  -0.758  -4.151
  200    H    GLN  23           HN       GLN  23  -2.691   2.654  -3.403
  201    HA   GLN  23           HA       GLN  23  -3.041   3.139  -0.585
  202    HB2  GLN  23           HB2      GLN  23  -5.018   2.553  -2.803
  203    HB3  GLN  23           HB1      GLN  23  -5.460   3.019  -1.166
  204    HG2  GLN  23           HG2      GLN  23  -4.520   5.178  -1.427
  205    HG3  GLN  23           HG1      GLN  23  -3.734   4.725  -2.938
  206   HE21  GLN  23          HE21      GLN  23  -6.752   5.558  -1.412
  207   HE22  GLN  23          HE22      GLN  23  -7.631   5.872  -2.864
  208    H    THR  24           HN       THR  24  -2.334   1.447   0.578
  209    HA   THR  24           HA       THR  24  -3.117  -1.258  -0.152
  210    HB   THR  24           HB       THR  24  -1.677  -1.814   1.911
  211    HG1  THR  24           HG1      THR  24  -0.130   0.326   1.757
  212   HG21  THR  24          HG21      THR  24  -0.422  -0.483  -0.488
  213   HG22  THR  24          HG22      THR  24  -0.928  -2.169  -0.376
  214   HG23  THR  24          HG23      THR  24   0.394  -1.578   0.628
  215    H    CYS  25           HN       CYS  25  -4.089  -2.678   1.362
  216    HA   CYS  25           HA       CYS  25  -6.249  -1.432   2.790
  217    HB2  CYS  25           HB2      CYS  25  -7.089  -3.707   3.082
  218    HB3  CYS  25           HB1      CYS  25  -6.566  -3.478   1.425
  219    H    SER  26           HN       SER  26  -3.220  -2.984   3.552
  220    HA   SER  26           HA       SER  26  -3.383  -2.170   6.297
  221    HB2  SER  26           HB2      SER  26  -3.395  -5.132   5.658
  222    HB3  SER  26           HB1      SER  26  -3.134  -4.442   7.259
  223    HG   SER  26           HG       SER  26  -5.362  -3.391   6.251
  224    H    LEU  27           HN       LEU  27  -1.378  -3.282   7.506
  225    HA   LEU  27           HA       LEU  27   0.895  -2.283   6.179
  226    HB2  LEU  27           HB2      LEU  27   0.589  -4.023   8.613
  227    HB3  LEU  27           HB1      LEU  27   2.144  -3.450   8.048
  228    HG   LEU  27           HG       LEU  27  -0.136  -1.638   8.846
  229   HD11  LEU  27          HD11      LEU  27   0.676  -2.873  10.775
  230   HD12  LEU  27          HD12      LEU  27   1.180  -1.185  10.861
  231   HD13  LEU  27          HD13      LEU  27   2.335  -2.428  10.380
  232   HD21  LEU  27          HD21      LEU  27   1.604   0.097   8.837
  233   HD22  LEU  27          HD22      LEU  27   1.377  -0.621   7.243
  234   HD23  LEU  27          HD23      LEU  27   2.764  -1.083   8.228
  235    H    GLU  28           HN       GLU  28  -0.442  -5.511   6.410
  236    HA   GLU  28           HA       GLU  28   1.640  -7.066   5.554
  237    HB2  GLU  28           HB2      GLU  28  -0.243  -8.396   4.456
  238    HB3  GLU  28           HB1      GLU  28  -0.277  -8.189   6.196
  239    HG2  GLU  28           HG2      GLU  28  -1.934  -6.498   6.004
  240    HG3  GLU  28           HG1      GLU  28  -1.788  -6.480   4.249
  241    H    CYS  29           HN       CYS  29  -0.626  -5.193   3.617
  242    HA   CYS  29           HA       CYS  29   0.617  -5.992   1.145
  243    HB2  CYS  29           HB2      CYS  29  -1.691  -4.282   1.938
  244    HB3  CYS  29           HB1      CYS  29  -1.051  -4.157   0.305
  245    H    SER  30           HN       SER  30   0.839  -3.437   3.434
  246    HA   SER  30           HA       SER  30   2.069  -1.489   1.772
  247    HB2  SER  30           HB2      SER  30   0.994  -1.109   4.055
  248    HB3  SER  30           HB1      SER  30   2.456  -1.796   4.758
  249    HG   SER  30           HG       SER  30   2.324   0.589   4.501
  250    H    LYS  31           HN       LYS  31   3.190  -4.281   3.535
  251    HA   LYS  31           HA       LYS  31   5.982  -3.660   2.942
  252    HB2  LYS  31           HB2      LYS  31   6.555  -5.473   4.401
  253    HB3  LYS  31           HB1      LYS  31   5.290  -4.545   5.195
  254    HG2  LYS  31           HG2      LYS  31   3.631  -6.198   4.412
  255    HG3  LYS  31           HG1      LYS  31   4.946  -7.148   3.721
  256    HD2  LYS  31           HD2      LYS  31   4.399  -8.106   5.832
  257    HD3  LYS  31           HD1      LYS  31   5.943  -7.271   6.014
  258    HE2  LYS  31           HE2      LYS  31   4.863  -5.407   7.085
  259    HE3  LYS  31           HE1      LYS  31   3.271  -6.096   6.771
  260    HZ1  LYS  31           HZ1      LYS  31   3.996  -6.462   9.053
  261    HZ2  LYS  31           HZ2      LYS  31   5.352  -7.309   8.508
  262    HZ3  LYS  31           HZ3      LYS  31   3.802  -7.928   8.233
  263    H    LYS  32           HN       LYS  32   3.385  -5.267   1.569
  264    HA   LYS  32           HA       LYS  32   4.550  -7.634   0.603
  265    HB2  LYS  32           HB2      LYS  32   2.101  -7.138   0.705
  266    HB3  LYS  32           HB1      LYS  32   2.305  -6.062  -0.669
  267    HG2  LYS  32           HG2      LYS  32   1.480  -8.112  -1.509
  268    HG3  LYS  32           HG1      LYS  32   3.187  -8.035  -1.949
  269    HD2  LYS  32           HD2      LYS  32   3.720  -9.436   0.019
  270    HD3  LYS  32           HD1      LYS  32   1.993  -9.567   0.359
  271    HE2  LYS  32           HE2      LYS  32   1.663 -10.603  -1.844
  272    HE3  LYS  32           HE1      LYS  32   3.397 -10.514  -2.133
  273    HZ1  LYS  32           HZ1      LYS  32   1.997 -12.124  -0.077
  274    HZ2  LYS  32           HZ2      LYS  32   3.671 -11.898  -0.096
  275    HZ3  LYS  32           HZ3      LYS  32   2.913 -12.689  -1.383
  276    H    HIS  33           HN       HIS  33   4.197  -4.426  -0.869
  277    HA   HIS  33           HA       HIS  33   5.394  -5.264  -3.328
  278    HB2  HIS  33           HB2      HIS  33   5.295  -2.919  -3.986
  279    HB3  HIS  33           HB1      HIS  33   3.771  -3.413  -3.264
  280    HD1  HIS  33           HD1      HIS  33   2.867  -1.528  -1.900
  281    HD2  HIS  33           HD2      HIS  33   6.993  -1.791  -1.687
  282    HE1  HIS  33           HE1      HIS  33   3.625   0.334  -0.359
  283    H    LYS  34           HN       LYS  34   6.640  -4.484  -0.300
  284    HA   LYS  34           HA       LYS  34   9.057  -3.199  -1.147
  285    HB2  LYS  34           HB2      LYS  34   8.388  -4.541   1.479
  286    HB3  LYS  34           HB1      LYS  34   9.787  -3.520   1.182
  287    HG2  LYS  34           HG2      LYS  34   8.304  -1.624   0.742
  288    HG3  LYS  34           HG1      LYS  34   6.905  -2.652   1.058
  289    HD2  LYS  34           HD2      LYS  34   7.730  -3.028   3.348
  290    HD3  LYS  34           HD1      LYS  34   9.096  -1.964   3.017
  291    HE2  LYS  34           HE2      LYS  34   7.641  -0.084   2.714
  292    HE3  LYS  34           HE1      LYS  34   6.212  -1.111   2.813
  293    HZ1  LYS  34           HZ1      LYS  34   6.657   0.096   4.881
  294    HZ2  LYS  34           HZ2      LYS  34   8.149  -0.683   5.024
  295    HZ3  LYS  34           HZ3      LYS  34   6.718  -1.576   5.107
  296    H    THR  35           HN       THR  35   8.006  -6.459  -0.553
  297    HA   THR  35           HA       THR  35  10.690  -7.526  -0.515
  298    HB   THR  35           HB       THR  35   8.785  -8.431   0.873
  299    HG1  THR  35           HG1      THR  35  10.401 -10.030  -0.814
  300   HG21  THR  35          HG21      THR  35   7.262 -10.027  -0.206
  301   HG22  THR  35          HG22      THR  35   7.921  -9.580  -1.781
  302   HG23  THR  35          HG23      THR  35   7.039  -8.389  -0.824
  303    H    ARG  36           HN       ARG  36   8.862  -6.391  -2.939
  304    HA   ARG  36           HA       ARG  36   9.936  -8.343  -4.857
  305    HB2  ARG  36           HB2      ARG  36   7.903  -7.620  -6.304
  306    HB3  ARG  36           HB1      ARG  36   7.671  -8.804  -5.025
  307    HG2  ARG  36           HG2      ARG  36   6.701  -7.174  -3.587
  308    HG3  ARG  36           HG1      ARG  36   7.135  -5.867  -4.689
  309    HD2  ARG  36           HD2      ARG  36   5.418  -8.077  -5.699
  310    HD3  ARG  36           HD1      ARG  36   4.697  -6.871  -4.636
  311    HE   ARG  36           HE       ARG  36   6.102  -5.505  -6.630
  312   HH11  ARG  36          HH11      ARG  36   3.337  -7.648  -6.367
  313   HH12  ARG  36          HH12      ARG  36   2.501  -6.938  -7.710
  314   HH21  ARG  36          HH21      ARG  36   4.995  -4.567  -8.385
  315   HH22  ARG  36          HH22      ARG  36   3.432  -5.167  -8.843
  316    H    ASP  37           HN       ASP  37   9.049  -4.975  -4.251
  317    HA   ASP  37           HA       ASP  37  10.556  -4.225  -6.669
  318    HB2  ASP  37           HB2      ASP  37   8.362  -2.774  -5.194
  319    HB3  ASP  37           HB1      ASP  37   9.359  -2.000  -6.420
  320    H    ASN  38           HN       ASN  38  11.040  -4.545  -3.509
  321    HA   ASN  38           HA       ASN  38  12.454  -3.722  -1.946
  322    HB2  ASN  38           HB2      ASN  38  14.094  -4.061  -3.799
  323    HB3  ASN  38           HB1      ASN  38  13.856  -2.379  -4.265
  324   HD21  ASN  38          HD21      ASN  38  15.914  -1.713  -3.849
  325   HD22  ASN  38          HD22      ASN  38  16.589  -1.640  -2.259
  326    H    CYS  39           HN       CYS  39  10.971  -2.407  -0.890
  327    HA   CYS  39           HA       CYS  39  11.284   0.452  -1.425
  328    HB2  CYS  39           HB2      CYS  39   9.226  -0.305  -2.575
  329    HB3  CYS  39           HB1      CYS  39   8.606  -0.899  -1.042
  330    H    SER  40           HN       SER  40  10.359   1.774   0.327
  331    HA   SER  40           HA       SER  40  10.320   0.469   2.941
  332    HB2  SER  40           HB2      SER  40  11.878   2.977   2.249
  333    HB3  SER  40           HB1      SER  40  11.747   2.252   3.847
  334    HG   SER  40           HG       SER  40  12.783   0.383   2.979
  335    H    GLY  41           HN       GLY  41   9.587   2.319   4.604
  336    HA2  GLY  41           HA2      GLY  41   7.365   3.731   3.264
  337    HA3  GLY  41           HA1      GLY  41   7.238   3.020   4.858
  338    H    GLN  42           HN       GLN  42   9.670   5.078   3.339
  339    HA   GLN  42           HA       GLN  42   9.056   7.193   5.265
  340    HB2  GLN  42           HB2      GLN  42  11.844   6.293   4.479
  341    HB3  GLN  42           HB1      GLN  42  11.474   7.706   5.451
  342    HG2  GLN  42           HG2      GLN  42  12.087   6.157   7.036
  343    HG3  GLN  42           HG1      GLN  42  10.330   6.019   7.039
  344   HE21  GLN  42          HE21      GLN  42  10.351   3.934   7.821
  345   HE22  GLN  42          HE22      GLN  42  10.862   2.584   6.866
  346    H    THR  43           HN       THR  43   8.843   9.139   4.276
  347    HA   THR  43           HA       THR  43   8.784   9.071   1.420
  348    HB   THR  43           HB       THR  43   8.434  11.605   2.990
  349    HG1  THR  43           HG1      THR  43   6.074  10.546   2.838
  350   HG21  THR  43          HG21      THR  43   7.103  10.418   0.554
  351   HG22  THR  43          HG22      THR  43   8.286  11.728   0.572
  352   HG23  THR  43          HG23      THR  43   6.688  11.972   1.276
  353    H    HIS  44           HN       HIS  44  10.221   9.855   0.006
  354    HA   HIS  44           HA       HIS  44  12.283  11.712   0.957
  355    HB2  HIS  44           HB2      HIS  44  13.233   9.409   0.893
  356    HB3  HIS  44           HB1      HIS  44  12.820   9.316  -0.814
  357    HD1  HIS  44           HD1      HIS  44  14.610  10.000  -2.384
  358    HD2  HIS  44           HD2      HIS  44  15.178  11.572   1.420
  359    HE1  HIS  44           HE1      HIS  44  16.833  11.176  -2.462
  360    HE2  HIS  44           HE2      HIS  44  17.222  11.985  -0.107
  361    H    ASP  45           HN       ASP  45  12.079  13.504  -0.216
  362    HA   ASP  45           HA       ASP  45  10.903  13.304  -2.895
  363    HB2  ASP  45           HB2      ASP  45  11.269  15.695  -1.076
  364    HB3  ASP  45           HB1      ASP  45  10.585  15.774  -2.694
  Start of MODEL    5
    1    H1   GLY  -2           HT1      GLY  -2 -14.728   7.375  -9.862
    2    H2   GLY  -2           HT2      GLY  -2 -13.647   6.984  -8.622
    3    H3   GLY  -2           HT3      GLY  -2 -13.563   8.496  -9.370
    4    HA2  GLY  -2           HA1      GLY  -2 -15.736   9.083  -8.507
    5    HA3  GLY  -2           HA2      GLY  -2 -15.822   7.511  -7.725
    6    HA   PRO  -1           HA       PRO  -1 -14.282  10.294  -4.437
    7    HB2  PRO  -1           HB2      PRO  -1 -15.111   8.001  -2.773
    8    HB3  PRO  -1           HB1      PRO  -1 -15.550   9.706  -2.635
    9    HG2  PRO  -1           HG2      PRO  -1 -17.306   7.883  -3.506
   10    HG3  PRO  -1           HG1      PRO  -1 -17.266   9.526  -4.177
   11    HD2  PRO  -1           HD2      PRO  -1 -16.185   6.980  -5.325
   12    HD3  PRO  -1           HD1      PRO  -1 -17.032   8.314  -6.138
   13    H    HIS   0           HN       HIS   0 -12.200  10.345  -3.919
   14    HA   HIS   0           HA       HIS   0 -10.581   7.964  -4.207
   15    HB2  HIS   0           HB2      HIS   0  -9.903  10.856  -3.677
   16    HB3  HIS   0           HB1      HIS   0  -8.688   9.584  -3.695
   17    HD1  HIS   0           HD1      HIS   0  -7.655   9.133  -5.906
   18    HD2  HIS   0           HD2      HIS   0 -11.337  11.023  -6.276
   19    HE1  HIS   0           HE1      HIS   0  -7.930   9.601  -8.359
   20    HE2  HIS   0           HE2      HIS   0 -10.091  10.883  -8.537
   21    H    MET   1           HN       MET   1 -12.452   8.919  -1.812
   22    HA   MET   1           HA       MET   1 -10.644   8.326   0.389
   23    HB2  MET   1           HB2      MET   1 -12.591   8.701   1.827
   24    HB3  MET   1           HB1      MET   1 -12.353  10.047   0.723
   25    HG2  MET   1           HG2      MET   1 -14.129   9.150  -0.721
   26    HG3  MET   1           HG1      MET   1 -14.381   7.843   0.434
   27    HE1  MET   1           HE1      MET   1 -16.954   8.418   0.641
   28    HE2  MET   1           HE2      MET   1 -16.748   9.702  -0.550
   29    HE3  MET   1           HE3      MET   1 -17.573  10.036   0.973
   30    H    ALA   2           HN       ALA   2 -11.694   6.528  -1.866
   31    HA   ALA   2           HA       ALA   2 -11.719   4.118  -0.321
   32    HB1  ALA   2           HB1      ALA   2 -14.106   4.581  -0.285
   33    HB2  ALA   2           HB2      ALA   2 -13.773   3.215  -1.353
   34    HB3  ALA   2           HB3      ALA   2 -14.112   4.808  -2.033
   35    H    VAL   3           HN       VAL   3 -11.967   2.251  -1.994
   36    HA   VAL   3           HA       VAL   3 -11.062   2.433  -4.583
   37    HB   VAL   3           HB       VAL   3  -9.230   3.776  -3.212
   38   HG11  VAL   3          HG11      VAL   3  -7.569   2.581  -2.192
   39   HG12  VAL   3          HG12      VAL   3  -8.001   1.075  -3.003
   40   HG13  VAL   3          HG13      VAL   3  -9.025   1.701  -1.709
   41   HG21  VAL   3          HG21      VAL   3  -8.516   1.716  -5.268
   42   HG22  VAL   3          HG22      VAL   3  -7.450   3.001  -4.704
   43   HG23  VAL   3          HG23      VAL   3  -8.947   3.404  -5.549
   44    H    LEU   4           HN       LEU   4  -9.648   0.326  -5.049
   45    HA   LEU   4           HA       LEU   4  -9.950  -1.528  -2.801
   46    HB2  LEU   4           HB2      LEU   4  -9.743  -2.174  -5.748
   47    HB3  LEU   4           HB1      LEU   4  -9.716  -3.371  -4.469
   48    HG   LEU   4           HG       LEU   4 -12.022  -1.577  -5.213
   49   HD11  LEU   4          HD11      LEU   4 -11.648  -4.561  -5.357
   50   HD12  LEU   4          HD12      LEU   4 -11.710  -3.443  -6.719
   51   HD13  LEU   4          HD13      LEU   4 -13.140  -3.697  -5.722
   52   HD21  LEU   4          HD21      LEU   4 -13.259  -2.891  -3.475
   53   HD22  LEU   4          HD22      LEU   4 -12.062  -1.764  -2.838
   54   HD23  LEU   4          HD23      LEU   4 -11.701  -3.494  -2.907
   55    H    CYS   5           HN       CYS   5  -8.227  -2.266  -1.901
   56    HA   CYS   5           HA       CYS   5  -5.800  -1.179  -1.830
   57    HB2  CYS   5           HB2      CYS   5  -6.553  -2.882  -0.301
   58    HB3  CYS   5           HB1      CYS   5  -6.483  -4.105  -1.558
   59    H    GLY   6           HN       GLY   6  -4.169  -0.839  -3.175
   60    HA2  GLY   6           HA2      GLY   6  -4.190  -1.665  -5.839
   61    HA3  GLY   6           HA1      GLY   6  -2.817  -0.952  -5.021
   62    H    VAL   7           HN       VAL   7  -2.879  -3.316  -3.100
   63    HA   VAL   7           HA       VAL   7  -1.098  -4.937  -4.711
   64    HB   VAL   7           HB       VAL   7  -1.759  -5.055  -1.768
   65   HG11  VAL   7          HG11      VAL   7   0.336  -6.575  -3.319
   66   HG12  VAL   7          HG12      VAL   7  -1.122  -7.260  -2.601
   67   HG13  VAL   7          HG13      VAL   7   0.135  -6.583  -1.566
   68   HG21  VAL   7          HG21      VAL   7   0.485  -4.124  -1.481
   69   HG22  VAL   7          HG22      VAL   7  -0.533  -3.056  -2.448
   70   HG23  VAL   7          HG23      VAL   7   0.685  -4.062  -3.232
   71    H    CYS   8           HN       CYS   8  -3.807  -5.703  -2.498
   72    HA   CYS   8           HA       CYS   8  -4.000  -8.322  -3.788
   73    HB2  CYS   8           HB2      CYS   8  -5.202  -9.050  -1.831
   74    HB3  CYS   8           HB1      CYS   8  -3.762  -8.189  -1.305
   75    H    GLY   9           HN       GLY   9  -5.696  -5.347  -3.425
   76    HA2  GLY   9           HA2      GLY   9  -7.670  -4.554  -4.268
   77    HA3  GLY   9           HA1      GLY   9  -7.320  -5.635  -5.602
   78    H    ILE  10           HN       ILE  10  -8.646  -5.789  -2.281
   79    HA   ILE  10           HA       ILE  10 -10.920  -7.231  -3.415
   80    HB   ILE  10           HB       ILE  10 -10.884  -8.656  -1.232
   81   HG12  ILE  10          HG12      ILE  10  -8.463  -9.307  -0.723
   82   HG13  ILE  10          HG11      ILE  10  -8.006  -7.803  -1.510
   83   HG21  ILE  10          HG21      ILE  10  -9.058  -9.211  -3.560
   84   HG22  ILE  10          HG22      ILE  10 -10.783  -9.562  -3.473
   85   HG23  ILE  10          HG23      ILE  10  -9.656 -10.414  -2.419
   86   HD11  ILE  10          HD11      ILE  10  -9.701  -8.108   0.949
   87   HD12  ILE  10          HD12      ILE  10  -9.391  -6.581   0.119
   88   HD13  ILE  10          HD13      ILE  10  -8.056  -7.476   0.852
   89    H    LYS  11           HN       LYS  11  -9.677  -5.071  -0.985
   90    HA   LYS  11           HA       LYS  11 -12.422  -4.279  -0.438
   91    HB2  LYS  11           HB2      LYS  11 -12.128  -4.161   1.961
   92    HB3  LYS  11           HB1      LYS  11 -11.841  -5.802   1.412
   93    HG2  LYS  11           HG2      LYS  11  -9.562  -5.679   1.825
   94    HG3  LYS  11           HG1      LYS  11  -9.554  -3.916   1.807
   95    HD2  LYS  11           HD2      LYS  11  -9.281  -4.820   4.075
   96    HD3  LYS  11           HD1      LYS  11 -10.756  -3.868   3.919
   97    HE2  LYS  11           HE2      LYS  11 -11.201  -5.866   5.207
   98    HE3  LYS  11           HE1      LYS  11 -12.047  -5.952   3.665
   99    HZ1  LYS  11           HZ1      LYS  11 -10.413  -7.454   2.832
  100    HZ2  LYS  11           HZ2      LYS  11 -10.929  -8.040   4.330
  101    HZ3  LYS  11           HZ3      LYS  11  -9.437  -7.257   4.198
  102    H    GLU  12           HN       GLU  12 -12.302  -2.293   1.144
  103    HA   GLU  12           HA       GLU  12 -11.168  -0.198  -0.351
  104    HB2  GLU  12           HB2      GLU  12 -13.220  -0.138   1.132
  105    HB3  GLU  12           HB1      GLU  12 -12.133  -0.077   2.510
  106    HG2  GLU  12           HG2      GLU  12 -11.185   2.016   1.638
  107    HG3  GLU  12           HG1      GLU  12 -12.338   1.959   0.305
  108    H    PHE  13           HN       PHE  13  -9.462   1.191   0.096
  109    HA   PHE  13           HA       PHE  13  -7.180  -0.011   1.291
  110    HB2  PHE  13           HB2      PHE  13  -5.967   1.837   0.475
  111    HB3  PHE  13           HB1      PHE  13  -7.258   1.616  -0.677
  112    HD1  PHE  13           HD2      PHE  13  -5.934   3.766   1.966
  113    HD2  PHE  13           HD1      PHE  13  -9.025   3.247  -0.924
  114    HE1  PHE  13           HE2      PHE  13  -6.584   6.123   2.241
  115    HE2  PHE  13           HE1      PHE  13  -9.682   5.597  -0.643
  116    HZ   PHE  13           HZ       PHE  13  -8.461   7.044   0.938
  117    H    LYS  14           HN       LYS  14  -5.920   0.823   3.006
  118    HA   LYS  14           HA       LYS  14  -7.347   2.532   4.918
  119    HB2  LYS  14           HB2      LYS  14  -7.556   0.143   5.571
  120    HB3  LYS  14           HB1      LYS  14  -5.805   0.023   5.611
  121    HG2  LYS  14           HG2      LYS  14  -5.672   1.527   7.454
  122    HG3  LYS  14           HG1      LYS  14  -7.392   1.905   7.338
  123    HD2  LYS  14           HD2      LYS  14  -7.845  -0.526   7.798
  124    HD3  LYS  14           HD1      LYS  14  -6.125  -0.704   8.146
  125    HE2  LYS  14           HE2      LYS  14  -7.391  -0.380  10.200
  126    HE3  LYS  14           HE1      LYS  14  -6.307   0.979   9.912
  127    HZ1  LYS  14           HZ1      LYS  14  -8.512   1.699  10.630
  128    HZ2  LYS  14           HZ2      LYS  14  -9.211   0.949   9.286
  129    HZ3  LYS  14           HZ3      LYS  14  -8.163   2.258   9.073
  130    H    TYR  15           HN       TYR  15  -4.510   1.647   3.264
  131    HA   TYR  15           HA       TYR  15  -2.964   3.697   4.701
  132    HB2  TYR  15           HB2      TYR  15  -1.912   1.054   3.655
  133    HB3  TYR  15           HB1      TYR  15  -0.930   2.334   4.354
  134    HD1  TYR  15           HD1      TYR  15  -3.752   0.064   5.152
  135    HD2  TYR  15           HD2      TYR  15  -0.454   2.295   6.622
  136    HE1  TYR  15           HE1      TYR  15  -4.058  -0.960   7.371
  137    HE2  TYR  15           HE2      TYR  15  -0.749   1.282   8.849
  138    HH   TYR  15           HH       TYR  15  -2.449   0.195  10.170
  139    H    LYS  16           HN       LYS  16  -0.914   4.164   3.292
  140    HA   LYS  16           HA       LYS  16  -1.157   3.802   0.471
  141    HB2  LYS  16           HB2      LYS  16  -2.811   5.628   0.877
  142    HB3  LYS  16           HB1      LYS  16  -1.515   6.607   1.547
  143    HG2  LYS  16           HG2      LYS  16  -0.398   6.690  -0.581
  144    HG3  LYS  16           HG1      LYS  16  -1.555   5.549  -1.272
  145    HD2  LYS  16           HD2      LYS  16  -2.070   7.842  -1.941
  146    HD3  LYS  16           HD1      LYS  16  -3.356   7.166  -0.939
  147    HE2  LYS  16           HE2      LYS  16  -2.447   8.335   1.007
  148    HE3  LYS  16           HE1      LYS  16  -1.169   9.014   0.005
  149    HZ1  LYS  16           HZ1      LYS  16  -2.812  10.192  -1.273
  150    HZ2  LYS  16           HZ2      LYS  16  -3.009  10.562   0.365
  151    HZ3  LYS  16           HZ3      LYS  16  -4.070   9.486  -0.394
  152    H    CYS  17           HN       CYS  17   0.912   3.128   0.372
  153    HA   CYS  17           HA       CYS  17   3.116   3.950   1.770
  154    HB2  CYS  17           HB2      CYS  17   3.194   2.063   0.241
  155    HB3  CYS  17           HB1      CYS  17   2.994   3.134  -1.140
  156    HA   PRO  18           HA       PRO  18   3.468   8.254   0.662
  157    HB2  PRO  18           HB2      PRO  18   5.974   8.613   1.741
  158    HB3  PRO  18           HB1      PRO  18   4.471   8.673   2.665
  159    HG2  PRO  18           HG2      PRO  18   6.428   6.436   2.364
  160    HG3  PRO  18           HG1      PRO  18   5.546   6.971   3.806
  161    HD2  PRO  18           HD2      PRO  18   4.794   4.806   2.401
  162    HD3  PRO  18           HD1      PRO  18   3.607   5.872   3.182
  163    H    ARG  19           HN       ARG  19   5.534   5.713  -0.381
  164    HA   ARG  19           HA       ARG  19   6.902   7.497  -2.263
  165    HB2  ARG  19           HB2      ARG  19   7.523   4.738  -1.266
  166    HB3  ARG  19           HB1      ARG  19   8.259   5.354  -2.741
  167    HG2  ARG  19           HG2      ARG  19   9.094   7.301  -1.421
  168    HG3  ARG  19           HG1      ARG  19   8.486   6.509   0.032
  169    HD2  ARG  19           HD2      ARG  19   9.946   4.593  -0.409
  170    HD3  ARG  19           HD1      ARG  19  10.554   5.392  -1.857
  171    HE   ARG  19           HE       ARG  19  10.854   6.895   0.605
  172   HH11  ARG  19          HH11      ARG  19  12.335   4.660  -1.651
  173   HH12  ARG  19          HH12      ARG  19  13.948   4.998  -1.117
  174   HH21  ARG  19          HH21      ARG  19  12.979   7.342   1.298
  175   HH22  ARG  19          HH22      ARG  19  14.317   6.535   0.546
  176    H    CYS  20           HN       CYS  20   5.052   4.457  -2.203
  177    HA   CYS  20           HA       CYS  20   5.007   4.348  -5.089
  178    HB2  CYS  20           HB2      CYS  20   3.558   2.661  -3.043
  179    HB3  CYS  20           HB1      CYS  20   3.576   2.357  -4.768
  180    H    LEU  21           HN       LEU  21   3.041   5.508  -2.550
  181    HA   LEU  21           HA       LEU  21   1.029   6.480  -2.369
  182    HB2  LEU  21           HB2      LEU  21   1.057   6.730  -5.372
  183    HB3  LEU  21           HB1      LEU  21   0.031   7.613  -4.261
  184    HG   LEU  21           HG       LEU  21   2.938   7.981  -4.844
  185   HD11  LEU  21          HD11      LEU  21   1.299   9.324  -6.025
  186   HD12  LEU  21          HD12      LEU  21   2.270  10.322  -4.943
  187   HD13  LEU  21          HD13      LEU  21   0.625   9.871  -4.491
  188   HD21  LEU  21          HD21      LEU  21   2.925   7.714  -2.456
  189   HD22  LEU  21          HD22      LEU  21   1.552   8.813  -2.300
  190   HD23  LEU  21          HD23      LEU  21   3.113   9.425  -2.844
  191    H    VAL  22           HN       VAL  22   1.481   3.562  -3.252
  192    HA   VAL  22           HA       VAL  22  -1.025   2.803  -4.369
  193    HB   VAL  22           HB       VAL  22   0.993   1.415  -4.707
  194   HG11  VAL  22          HG11      VAL  22   0.724   0.678  -1.799
  195   HG12  VAL  22          HG12      VAL  22   1.994   1.692  -2.478
  196   HG13  VAL  22          HG13      VAL  22   1.871  -0.001  -2.954
  197   HG21  VAL  22          HG21      VAL  22  -0.070  -0.764  -4.303
  198   HG22  VAL  22          HG22      VAL  22  -1.191   0.413  -4.989
  199   HG23  VAL  22          HG23      VAL  22  -1.262   0.025  -3.269
  200    H    GLN  23           HN       GLN  23  -2.825   2.674  -3.378
  201    HA   GLN  23           HA       GLN  23  -3.061   3.051  -0.535
  202    HB2  GLN  23           HB2      GLN  23  -5.176   2.490  -2.630
  203    HB3  GLN  23           HB1      GLN  23  -5.463   3.090  -1.002
  204    HG2  GLN  23           HG2      GLN  23  -4.534   5.179  -1.476
  205    HG3  GLN  23           HG1      GLN  23  -3.738   4.592  -2.935
  206   HE21  GLN  23          HE21      GLN  23  -6.697   5.734  -1.551
  207   HE22  GLN  23          HE22      GLN  23  -7.569   5.895  -3.036
  208    H    THR  24           HN       THR  24  -2.442   1.357   0.631
  209    HA   THR  24           HA       THR  24  -3.196  -1.346  -0.161
  210    HB   THR  24           HB       THR  24  -1.751  -1.907   1.904
  211    HG1  THR  24           HG1      THR  24  -0.340  -0.226   2.524
  212   HG21  THR  24          HG21      THR  24   0.287  -1.751   0.621
  213   HG22  THR  24          HG22      THR  24  -0.417  -0.518  -0.423
  214   HG23  THR  24          HG23      THR  24  -1.040  -2.167  -0.461
  215    H    CYS  25           HN       CYS  25  -4.036  -2.820   1.502
  216    HA   CYS  25           HA       CYS  25  -6.177  -1.512   2.975
  217    HB2  CYS  25           HB2      CYS  25  -7.209  -3.695   3.094
  218    HB3  CYS  25           HB1      CYS  25  -6.651  -3.438   1.452
  219    H    SER  26           HN       SER  26  -3.142  -3.011   3.529
  220    HA   SER  26           HA       SER  26  -3.413  -2.615   6.379
  221    HB2  SER  26           HB2      SER  26  -2.682  -4.947   6.905
  222    HB3  SER  26           HB1      SER  26  -4.286  -4.874   6.189
  223    HG   SER  26           HG       SER  26  -3.253  -6.449   5.085
  224    H    LEU  27           HN       LEU  27  -1.275  -3.350   7.481
  225    HA   LEU  27           HA       LEU  27   0.939  -2.212   6.127
  226    HB2  LEU  27           HB2      LEU  27   0.766  -3.929   8.601
  227    HB3  LEU  27           HB1      LEU  27   2.259  -3.223   8.022
  228    HG   LEU  27           HG       LEU  27  -0.167  -1.621   8.826
  229   HD11  LEU  27          HD11      LEU  27   1.132  -1.060  10.833
  230   HD12  LEU  27          HD12      LEU  27   2.366  -2.223  10.345
  231   HD13  LEU  27          HD13      LEU  27   0.742  -2.777  10.751
  232   HD21  LEU  27          HD21      LEU  27   1.408   0.258   8.804
  233   HD22  LEU  27          HD22      LEU  27   1.262  -0.487   7.213
  234   HD23  LEU  27          HD23      LEU  27   2.676  -0.816   8.214
  235    H    GLU  28           HN       GLU  28  -0.407  -5.400   6.327
  236    HA   GLU  28           HA       GLU  28   1.796  -6.957   5.562
  237    HB2  GLU  28           HB2      GLU  28  -0.320  -7.900   6.382
  238    HB3  GLU  28           HB1      GLU  28  -1.134  -7.363   4.922
  239    HG2  GLU  28           HG2      GLU  28  -0.721  -9.677   4.686
  240    HG3  GLU  28           HG1      GLU  28   0.407  -8.843   3.624
  241    H    CYS  29           HN       CYS  29  -0.704  -5.391   3.576
  242    HA   CYS  29           HA       CYS  29   0.518  -6.146   1.114
  243    HB2  CYS  29           HB2      CYS  29  -1.728  -4.316   1.887
  244    HB3  CYS  29           HB1      CYS  29  -1.132  -4.345   0.237
  245    H    SER  30           HN       SER  30   0.962  -3.569   3.350
  246    HA   SER  30           HA       SER  30   2.087  -1.698   1.509
  247    HB2  SER  30           HB2      SER  30   2.360  -1.861   4.517
  248    HB3  SER  30           HB1      SER  30   2.797  -0.475   3.518
  249    HG   SER  30           HG       SER  30   0.244  -1.501   4.129
  250    H    LYS  31           HN       LYS  31   3.350  -4.272   3.547
  251    HA   LYS  31           HA       LYS  31   6.073  -3.634   2.726
  252    HB2  LYS  31           HB2      LYS  31   6.786  -5.354   4.265
  253    HB3  LYS  31           HB1      LYS  31   5.625  -4.309   5.067
  254    HG2  LYS  31           HG2      LYS  31   3.876  -5.968   4.737
  255    HG3  LYS  31           HG1      LYS  31   5.021  -7.015   3.897
  256    HD2  LYS  31           HD2      LYS  31   6.395  -7.096   5.954
  257    HD3  LYS  31           HD1      LYS  31   5.170  -6.127   6.777
  258    HE2  LYS  31           HE2      LYS  31   4.878  -8.487   7.284
  259    HE3  LYS  31           HE1      LYS  31   3.510  -7.877   6.354
  260    HZ1  LYS  31           HZ1      LYS  31   4.099  -9.950   5.436
  261    HZ2  LYS  31           HZ2      LYS  31   5.746  -9.564   5.389
  262    HZ3  LYS  31           HZ3      LYS  31   4.666  -8.789   4.345
  263    H    LYS  32           HN       LYS  32   3.477  -5.390   1.624
  264    HA   LYS  32           HA       LYS  32   4.619  -7.716   0.576
  265    HB2  LYS  32           HB2      LYS  32   2.172  -7.188   0.736
  266    HB3  LYS  32           HB1      LYS  32   2.367  -6.108  -0.634
  267    HG2  LYS  32           HG2      LYS  32   1.494  -8.140  -1.469
  268    HG3  LYS  32           HG1      LYS  32   3.192  -8.081  -1.945
  269    HD2  LYS  32           HD2      LYS  32   3.803  -9.600  -0.199
  270    HD3  LYS  32           HD1      LYS  32   2.183  -9.526   0.495
  271    HE2  LYS  32           HE2      LYS  32   1.295 -10.514  -1.593
  272    HE3  LYS  32           HE1      LYS  32   2.948 -10.684  -2.180
  273    HZ1  LYS  32           HZ1      LYS  32   1.937 -11.927   0.316
  274    HZ2  LYS  32           HZ2      LYS  32   3.437 -12.195  -0.418
  275    HZ3  LYS  32           HZ3      LYS  32   2.019 -12.724  -1.172
  276    H    HIS  33           HN       HIS  33   4.264  -4.465  -0.808
  277    HA   HIS  33           HA       HIS  33   5.551  -5.258  -3.254
  278    HB2  HIS  33           HB2      HIS  33   5.335  -2.950  -3.959
  279    HB3  HIS  33           HB1      HIS  33   3.824  -3.480  -3.238
  280    HD1  HIS  33           HD1      HIS  33   2.830  -1.572  -1.970
  281    HD2  HIS  33           HD2      HIS  33   6.956  -1.686  -1.655
  282    HE1  HIS  33           HE1      HIS  33   3.490   0.363  -0.475
  283    H    LYS  34           HN       LYS  34   6.657  -4.438  -0.180
  284    HA   LYS  34           HA       LYS  34   9.064  -3.078  -0.992
  285    HB2  LYS  34           HB2      LYS  34   8.325  -4.323   1.666
  286    HB3  LYS  34           HB1      LYS  34   9.729  -3.306   1.376
  287    HG2  LYS  34           HG2      LYS  34   8.265  -1.427   0.839
  288    HG3  LYS  34           HG1      LYS  34   6.853  -2.449   1.118
  289    HD2  LYS  34           HD2      LYS  34   7.663  -2.813   3.449
  290    HD3  LYS  34           HD1      LYS  34   8.945  -1.645   3.136
  291    HE2  LYS  34           HE2      LYS  34   7.348   0.109   2.788
  292    HE3  LYS  34           HE1      LYS  34   6.004  -1.032   2.871
  293    HZ1  LYS  34           HZ1      LYS  34   6.556  -1.468   5.181
  294    HZ2  LYS  34           HZ2      LYS  34   6.288   0.185   4.948
  295    HZ3  LYS  34           HZ3      LYS  34   7.866  -0.400   5.104
  296    H    THR  35           HN       THR  35   8.110  -6.315  -0.053
  297    HA   THR  35           HA       THR  35  10.776  -7.329   0.055
  298    HB   THR  35           HB       THR  35   8.864  -8.240   1.378
  299    HG1  THR  35           HG1      THR  35   9.692 -10.448  -0.080
  300   HG21  THR  35          HG21      THR  35   7.331  -9.817   0.307
  301   HG22  THR  35          HG22      THR  35   8.026  -9.429  -1.266
  302   HG23  THR  35          HG23      THR  35   7.152  -8.194  -0.360
  303    H    ARG  36           HN       ARG  36   8.768  -6.557  -2.511
  304    HA   ARG  36           HA       ARG  36  10.110  -8.498  -4.270
  305    HB2  ARG  36           HB2      ARG  36   8.174  -7.975  -5.859
  306    HB3  ARG  36           HB1      ARG  36   7.817  -8.957  -4.444
  307    HG2  ARG  36           HG2      ARG  36   6.833  -7.084  -3.323
  308    HG3  ARG  36           HG1      ARG  36   7.330  -5.993  -4.617
  309    HD2  ARG  36           HD2      ARG  36   5.544  -8.345  -5.138
  310    HD3  ARG  36           HD1      ARG  36   4.897  -6.799  -4.589
  311    HE   ARG  36           HE       ARG  36   6.508  -6.209  -6.749
  312   HH11  ARG  36          HH11      ARG  36   3.649  -8.151  -6.154
  313   HH12  ARG  36          HH12      ARG  36   3.030  -7.961  -7.761
  314   HH21  ARG  36          HH21      ARG  36   5.682  -5.951  -8.863
  315   HH22  ARG  36          HH22      ARG  36   4.183  -6.702  -9.303
  316    H    ASP  37           HN       ASP  37   9.192  -5.107  -3.893
  317    HA   ASP  37           HA       ASP  37  10.708  -4.496  -6.334
  318    HB2  ASP  37           HB2      ASP  37   8.319  -3.184  -5.074
  319    HB3  ASP  37           HB1      ASP  37   9.354  -2.289  -6.179
  320    H    ASN  38           HN       ASN  38  11.255  -4.614  -3.211
  321    HA   ASN  38           HA       ASN  38  12.796  -3.725  -1.824
  322    HB2  ASN  38           HB2      ASN  38  13.837  -2.883  -4.503
  323    HB3  ASN  38           HB1      ASN  38  14.677  -2.422  -3.027
  324   HD21  ASN  38          HD21      ASN  38  15.551  -4.144  -5.194
  325   HD22  ASN  38          HD22      ASN  38  15.921  -5.672  -4.477
  326    H    CYS  39           HN       CYS  39  10.418  -2.231  -2.059
  327    HA   CYS  39           HA       CYS  39  11.120   0.558  -2.153
  328    HB2  CYS  39           HB2      CYS  39   8.896  -0.163  -2.871
  329    HB3  CYS  39           HB1      CYS  39   8.581  -0.819  -1.271
  330    H    SER  40           HN       SER  40  11.590   1.867  -0.475
  331    HA   SER  40           HA       SER  40  11.858   0.678   2.169
  332    HB2  SER  40           HB2      SER  40  12.611   3.456   1.227
  333    HB3  SER  40           HB1      SER  40  13.112   2.682   2.731
  334    HG   SER  40           HG       SER  40  14.205   1.112   1.459
  335    H    GLY  41           HN       GLY  41   9.646   2.513   0.398
  336    HA2  GLY  41           HA2      GLY  41   7.692   3.600   0.945
  337    HA3  GLY  41           HA1      GLY  41   7.573   2.313   2.130
  338    H    GLN  42           HN       GLN  42   9.531   5.288   1.850
  339    HA   GLN  42           HA       GLN  42   8.249   6.423   4.151
  340    HB2  GLN  42           HB2      GLN  42   9.839   4.899   5.244
  341    HB3  GLN  42           HB1      GLN  42  11.158   5.598   4.314
  342    HG2  GLN  42           HG2      GLN  42  10.568   7.808   5.379
  343    HG3  GLN  42           HG1      GLN  42   9.520   6.899   6.463
  344   HE21  GLN  42          HE21      GLN  42  11.337   4.610   6.550
  345   HE22  GLN  42          HE22      GLN  42  12.654   5.089   7.558
  346    H    THR  43           HN       THR  43   8.151   8.531   3.766
  347    HA   THR  43           HA       THR  43  10.257   9.742   2.127
  348    HB   THR  43           HB       THR  43   8.654  11.734   2.120
  349    HG1  THR  43           HG1      THR  43   6.528  11.290   2.720
  350   HG21  THR  43          HG21      THR  43   8.876  10.329   0.169
  351   HG22  THR  43          HG22      THR  43   7.169  10.693   0.416
  352   HG23  THR  43          HG23      THR  43   7.811   9.116   0.874
  353    H    HIS  44           HN       HIS  44   9.059   9.392   5.253
  354    HA   HIS  44           HA       HIS  44   9.778  10.032   7.295
  355    HB2  HIS  44           HB2      HIS  44  12.062   9.850   6.204
  356    HB3  HIS  44           HB1      HIS  44  11.989  11.587   5.949
  357    HD1  HIS  44           HD1      HIS  44  12.251   9.018   8.691
  358    HD2  HIS  44           HD2      HIS  44  12.583  13.132   8.170
  359    HE1  HIS  44           HE1      HIS  44  13.208   9.900  10.841
  360    HE2  HIS  44           HE2      HIS  44  13.563  12.359  10.433
  361    H    ASP  45           HN       ASP  45   8.278  11.821   5.207
  362    HA   ASP  45           HA       ASP  45   7.420  13.805   6.994
  363    HB2  ASP  45           HB2      ASP  45   9.599  14.845   6.583
  364    HB3  ASP  45           HB1      ASP  45   9.323  14.775   4.846
  Start of MODEL    6
    1    H1   GLY  -2           HT1      GLY  -2 -16.695  14.680   7.539
    2    H2   GLY  -2           HT2      GLY  -2 -17.013  13.279   6.648
    3    H3   GLY  -2           HT3      GLY  -2 -17.272  14.796   5.954
    4    HA2  GLY  -2           HA1      GLY  -2 -14.906  15.275   6.054
    5    HA3  GLY  -2           HA2      GLY  -2 -14.646  13.682   6.751
    6    HA   PRO  -1           HA       PRO  -1 -14.410  13.531   2.043
    7    HB2  PRO  -1           HB2      PRO  -1 -11.882  12.508   1.920
    8    HB3  PRO  -1           HB1      PRO  -1 -12.236  14.237   1.873
    9    HG2  PRO  -1           HG2      PRO  -1 -11.344  12.547   4.172
   10    HG3  PRO  -1           HG1      PRO  -1 -10.823  14.178   3.713
   11    HD2  PRO  -1           HD2      PRO  -1 -12.595  13.731   5.704
   12    HD3  PRO  -1           HD1      PRO  -1 -12.673  15.174   4.672
   13    H    HIS   0           HN       HIS   0 -15.578  11.823   1.492
   14    HA   HIS   0           HA       HIS   0 -15.297   9.272   2.813
   15    HB2  HIS   0           HB2      HIS   0 -17.504  10.182   2.060
   16    HB3  HIS   0           HB1      HIS   0 -16.969   9.999   0.396
   17    HD1  HIS   0           HD1      HIS   0 -16.910   7.614  -0.576
   18    HD2  HIS   0           HD2      HIS   0 -18.235   7.809   3.356
   19    HE1  HIS   0           HE1      HIS   0 -17.924   5.368  -0.093
   20    HE2  HIS   0           HE2      HIS   0 -18.910   5.592   2.213
   21    H    MET   1           HN       MET   1 -13.082   8.886   2.254
   22    HA   MET   1           HA       MET   1 -12.446   8.487  -0.550
   23    HB2  MET   1           HB2      MET   1 -10.768   8.167   1.942
   24    HB3  MET   1           HB1      MET   1 -10.175   7.919   0.307
   25    HG2  MET   1           HG2      MET   1 -10.685  10.252  -0.223
   26    HG3  MET   1           HG1      MET   1 -11.243  10.495   1.431
   27    HE1  MET   1           HE1      MET   1  -9.027  12.272  -0.031
   28    HE2  MET   1           HE2      MET   1  -7.834  12.457   1.253
   29    HE3  MET   1           HE3      MET   1  -9.554  12.577   1.624
   30    H    ALA   2           HN       ALA   2 -11.992   6.549  -1.504
   31    HA   ALA   2           HA       ALA   2 -11.891   4.088  -0.075
   32    HB1  ALA   2           HB1      ALA   2 -13.884   3.057  -1.084
   33    HB2  ALA   2           HB2      ALA   2 -14.355   4.627  -1.742
   34    HB3  ALA   2           HB3      ALA   2 -14.313   4.380   0.004
   35    H    VAL   3           HN       VAL   3 -12.167   2.278  -1.859
   36    HA   VAL   3           HA       VAL   3 -11.283   2.574  -4.433
   37    HB   VAL   3           HB       VAL   3  -9.457   3.896  -3.037
   38   HG11  VAL   3          HG11      VAL   3  -9.170   1.831  -1.587
   39   HG12  VAL   3          HG12      VAL   3  -7.722   2.674  -2.148
   40   HG13  VAL   3          HG13      VAL   3  -8.231   1.179  -2.934
   41   HG21  VAL   3          HG21      VAL   3  -7.707   3.259  -4.605
   42   HG22  VAL   3          HG22      VAL   3  -9.246   3.598  -5.406
   43   HG23  VAL   3          HG23      VAL   3  -8.715   1.931  -5.175
   44    H    LEU   4           HN       LEU   4  -9.788   0.472  -4.939
   45    HA   LEU   4           HA       LEU   4 -10.070  -1.374  -2.684
   46    HB2  LEU   4           HB2      LEU   4  -9.947  -1.996  -5.637
   47    HB3  LEU   4           HB1      LEU   4  -9.713  -3.214  -4.401
   48    HG   LEU   4           HG       LEU   4 -12.225  -1.622  -4.906
   49   HD11  LEU   4          HD11      LEU   4 -11.624  -4.565  -5.159
   50   HD12  LEU   4          HD12      LEU   4 -11.814  -3.430  -6.494
   51   HD13  LEU   4          HD13      LEU   4 -13.183  -3.795  -5.447
   52   HD21  LEU   4          HD21      LEU   4 -11.580  -3.613  -2.727
   53   HD22  LEU   4          HD22      LEU   4 -13.206  -3.055  -3.127
   54   HD23  LEU   4          HD23      LEU   4 -12.006  -1.906  -2.528
   55    H    CYS   5           HN       CYS   5  -8.343  -2.263  -1.869
   56    HA   CYS   5           HA       CYS   5  -5.938  -1.081  -1.756
   57    HB2  CYS   5           HB2      CYS   5  -6.600  -2.845  -0.262
   58    HB3  CYS   5           HB1      CYS   5  -6.552  -4.028  -1.557
   59    H    GLY   6           HN       GLY   6  -4.351  -0.662  -3.095
   60    HA2  GLY   6           HA2      GLY   6  -4.368  -1.384  -5.785
   61    HA3  GLY   6           HA1      GLY   6  -3.009  -0.667  -4.944
   62    H    VAL   7           HN       VAL   7  -3.098  -3.151  -3.127
   63    HA   VAL   7           HA       VAL   7  -1.321  -4.700  -4.829
   64    HB   VAL   7           HB       VAL   7  -1.837  -4.827  -1.861
   65   HG11  VAL   7          HG11      VAL   7  -1.314  -7.048  -2.658
   66   HG12  VAL   7          HG12      VAL   7   0.063  -6.381  -1.777
   67   HG13  VAL   7          HG13      VAL   7   0.084  -6.431  -3.540
   68   HG21  VAL   7          HG21      VAL   7  -0.585  -2.873  -2.559
   69   HG22  VAL   7          HG22      VAL   7   0.529  -3.886  -3.477
   70   HG23  VAL   7          HG23      VAL   7   0.481  -4.001  -1.718
   71    H    CYS   8           HN       CYS   8  -3.937  -5.538  -2.513
   72    HA   CYS   8           HA       CYS   8  -4.125  -8.125  -3.861
   73    HB2  CYS   8           HB2      CYS   8  -5.311  -8.920  -1.912
   74    HB3  CYS   8           HB1      CYS   8  -3.845  -8.093  -1.400
   75    H    GLY   9           HN       GLY   9  -6.033  -5.327  -3.078
   76    HA2  GLY   9           HA2      GLY   9  -7.874  -4.433  -4.084
   77    HA3  GLY   9           HA1      GLY   9  -7.651  -5.605  -5.365
   78    H    ILE  10           HN       ILE  10  -8.295  -6.441  -1.980
   79    HA   ILE  10           HA       ILE  10 -10.796  -7.627  -2.957
   80    HB   ILE  10           HB       ILE  10 -10.653  -8.948  -0.743
   81   HG12  ILE  10          HG12      ILE  10  -8.220  -9.378  -0.135
   82   HG13  ILE  10          HG11      ILE  10  -7.829  -7.918  -1.021
   83   HG21  ILE  10          HG21      ILE  10  -8.729  -9.440  -3.004
   84   HG22  ILE  10          HG22      ILE  10 -10.426  -9.911  -2.954
   85   HG23  ILE  10          HG23      ILE  10  -9.273 -10.647  -1.840
   86   HD11  ILE  10          HD11      ILE  10  -9.214  -6.614   0.486
   87   HD12  ILE  10          HD12      ILE  10  -7.965  -7.503   1.364
   88   HD13  ILE  10          HD13      ILE  10  -9.632  -8.079   1.376
   89    H    LYS  11           HN       LYS  11  -9.638  -5.130  -0.990
   90    HA   LYS  11           HA       LYS  11 -12.333  -4.409  -0.293
   91    HB2  LYS  11           HB2      LYS  11 -12.041  -4.242   2.080
   92    HB3  LYS  11           HB1      LYS  11 -11.615  -5.879   1.611
   93    HG2  LYS  11           HG2      LYS  11  -9.709  -5.631   2.711
   94    HG3  LYS  11           HG1      LYS  11  -9.226  -4.424   1.517
   95    HD2  LYS  11           HD2      LYS  11  -9.017  -3.424   3.676
   96    HD3  LYS  11           HD1      LYS  11 -10.425  -2.708   2.893
   97    HE2  LYS  11           HE2      LYS  11 -11.017  -3.169   5.154
   98    HE3  LYS  11           HE1      LYS  11 -11.845  -4.347   4.138
   99    HZ1  LYS  11           HZ1      LYS  11 -10.882  -5.388   6.084
  100    HZ2  LYS  11           HZ2      LYS  11  -9.344  -4.828   5.664
  101    HZ3  LYS  11           HZ3      LYS  11 -10.129  -5.962   4.685
  102    H    GLU  12           HN       GLU  12 -12.099  -2.281   1.177
  103    HA   GLU  12           HA       GLU  12 -10.956  -0.378  -0.540
  104    HB2  GLU  12           HB2      GLU  12 -11.926  -0.124   2.305
  105    HB3  GLU  12           HB1      GLU  12 -11.425   1.244   1.323
  106    HG2  GLU  12           HG2      GLU  12 -13.786   1.135   1.255
  107    HG3  GLU  12           HG1      GLU  12 -13.184   0.616  -0.317
  108    H    PHE  13           HN       PHE  13  -9.492   1.381   0.279
  109    HA   PHE  13           HA       PHE  13  -7.066   0.155   1.303
  110    HB2  PHE  13           HB2      PHE  13  -5.903   1.980   0.424
  111    HB3  PHE  13           HB1      PHE  13  -7.221   1.761  -0.697
  112    HD1  PHE  13           HD1      PHE  13  -9.062   3.377  -0.817
  113    HD2  PHE  13           HD2      PHE  13  -5.750   3.932   1.815
  114    HE1  PHE  13           HE1      PHE  13  -9.683   5.735  -0.536
  115    HE2  PHE  13           HE2      PHE  13  -6.364   6.303   2.087
  116    HZ   PHE  13           HZ       PHE  13  -8.334   7.206   0.917
  117    H    LYS  14           HN       LYS  14  -5.867   1.005   3.015
  118    HA   LYS  14           HA       LYS  14  -7.245   2.853   4.830
  119    HB2  LYS  14           HB2      LYS  14  -7.612   0.641   5.739
  120    HB3  LYS  14           HB1      LYS  14  -5.914   0.237   5.557
  121    HG2  LYS  14           HG2      LYS  14  -5.310   1.824   7.267
  122    HG3  LYS  14           HG1      LYS  14  -6.987   2.360   7.403
  123    HD2  LYS  14           HD2      LYS  14  -7.646   0.155   8.184
  124    HD3  LYS  14           HD1      LYS  14  -5.997  -0.435   7.973
  125    HE2  LYS  14           HE2      LYS  14  -6.776   1.814   9.824
  126    HE3  LYS  14           HE1      LYS  14  -6.596   0.136  10.329
  127    HZ1  LYS  14           HZ1      LYS  14  -4.455   1.841   9.170
  128    HZ2  LYS  14           HZ2      LYS  14  -4.278   0.221   9.629
  129    HZ3  LYS  14           HZ3      LYS  14  -4.604   1.398  10.796
  130    H    TYR  15           HN       TYR  15  -4.438   1.653   3.312
  131    HA   TYR  15           HA       TYR  15  -2.757   3.652   4.667
  132    HB2  TYR  15           HB2      TYR  15  -1.976   1.006   3.419
  133    HB3  TYR  15           HB1      TYR  15  -0.837   2.189   4.039
  134    HD1  TYR  15           HD1      TYR  15  -3.795   0.208   5.133
  135    HD2  TYR  15           HD2      TYR  15  -0.072   1.955   6.199
  136    HE1  TYR  15           HE1      TYR  15  -3.953  -0.829   7.358
  137    HE2  TYR  15           HE2      TYR  15  -0.219   0.927   8.430
  138    HH   TYR  15           HH       TYR  15  -1.839   0.019   9.934
  139    H    LYS  16           HN       LYS  16  -0.796   4.151   3.157
  140    HA   LYS  16           HA       LYS  16  -1.269   4.081   0.341
  141    HB2  LYS  16           HB2      LYS  16  -2.814   5.920   1.256
  142    HB3  LYS  16           HB1      LYS  16  -1.346   6.815   1.614
  143    HG2  LYS  16           HG2      LYS  16  -0.761   6.908  -0.708
  144    HG3  LYS  16           HG1      LYS  16  -2.098   5.835  -1.132
  145    HD2  LYS  16           HD2      LYS  16  -3.643   7.573  -0.143
  146    HD3  LYS  16           HD1      LYS  16  -2.247   8.649  -0.072
  147    HE2  LYS  16           HE2      LYS  16  -3.393   7.364  -2.545
  148    HE3  LYS  16           HE1      LYS  16  -3.550   9.057  -2.082
  149    HZ1  LYS  16           HZ1      LYS  16  -1.154   9.295  -2.275
  150    HZ2  LYS  16           HZ2      LYS  16  -1.822   8.751  -3.730
  151    HZ3  LYS  16           HZ3      LYS  16  -1.007   7.670  -2.721
  152    H    CYS  17           HN       CYS  17   0.784   3.363   0.053
  153    HA   CYS  17           HA       CYS  17   3.045   4.027   1.482
  154    HB2  CYS  17           HB2      CYS  17   3.038   2.175  -0.104
  155    HB3  CYS  17           HB1      CYS  17   2.878   3.300  -1.452
  156    HA   PRO  18           HA       PRO  18   3.746   8.289   0.500
  157    HB2  PRO  18           HB2      PRO  18   6.342   8.417   1.362
  158    HB3  PRO  18           HB1      PRO  18   4.942   8.463   2.441
  159    HG2  PRO  18           HG2      PRO  18   6.727   6.174   1.736
  160    HG3  PRO  18           HG1      PRO  18   6.057   6.628   3.314
  161    HD2  PRO  18           HD2      PRO  18   5.003   4.631   1.841
  162    HD3  PRO  18           HD1      PRO  18   3.995   5.683   2.857
  163    H    ARG  19           HN       ARG  19   5.573   5.660  -0.770
  164    HA   ARG  19           HA       ARG  19   6.866   7.416  -2.738
  165    HB2  ARG  19           HB2      ARG  19   7.450   4.599  -1.853
  166    HB3  ARG  19           HB1      ARG  19   8.177   5.305  -3.288
  167    HG2  ARG  19           HG2      ARG  19   9.141   7.090  -1.889
  168    HG3  ARG  19           HG1      ARG  19   8.452   6.314  -0.461
  169    HD2  ARG  19           HD2      ARG  19  10.811   5.744  -0.747
  170    HD3  ARG  19           HD1      ARG  19   9.777   4.323  -0.880
  171    HE   ARG  19           HE       ARG  19  10.127   5.194  -3.459
  172   HH11  ARG  19          HH11      ARG  19  12.244   4.237  -0.846
  173   HH12  ARG  19          HH12      ARG  19  13.462   3.582  -1.893
  174   HH21  ARG  19          HH21      ARG  19  11.743   4.378  -4.850
  175   HH22  ARG  19          HH22      ARG  19  13.182   3.677  -4.178
  176    H    CYS  20           HN       CYS  20   5.156   4.291  -2.576
  177    HA   CYS  20           HA       CYS  20   4.854   4.166  -5.418
  178    HB2  CYS  20           HB2      CYS  20   3.448   2.554  -3.283
  179    HB3  CYS  20           HB1      CYS  20   3.474   2.186  -4.997
  180    H    LEU  21           HN       LEU  21   3.077   5.498  -2.829
  181    HA   LEU  21           HA       LEU  21   1.088   6.516  -2.584
  182    HB2  LEU  21           HB2      LEU  21   0.931   6.478  -5.596
  183    HB3  LEU  21           HB1      LEU  21  -0.107   7.399  -4.529
  184    HG   LEU  21           HG       LEU  21   2.706   7.909  -5.345
  185   HD11  LEU  21          HD11      LEU  21   0.290   9.630  -4.837
  186   HD12  LEU  21          HD12      LEU  21   0.914   9.119  -6.408
  187   HD13  LEU  21          HD13      LEU  21   1.856  10.218  -5.399
  188   HD21  LEU  21          HD21      LEU  21   2.958   7.739  -2.959
  189   HD22  LEU  21          HD22      LEU  21   1.542   8.762  -2.700
  190   HD23  LEU  21          HD23      LEU  21   2.999   9.439  -3.430
  191    H    VAL  22           HN       VAL  22   1.488   3.500  -3.485
  192    HA   VAL  22           HA       VAL  22  -1.035   2.679  -4.397
  193    HB   VAL  22           HB       VAL  22   1.007   1.293  -4.653
  194   HG11  VAL  22          HG11      VAL  22   1.975   1.643  -2.427
  195   HG12  VAL  22          HG12      VAL  22   1.836  -0.066  -2.832
  196   HG13  VAL  22          HG13      VAL  22   0.680   0.675  -1.725
  197   HG21  VAL  22          HG21      VAL  22  -0.067  -0.867  -4.165
  198   HG22  VAL  22          HG22      VAL  22  -1.155   0.278  -4.950
  199   HG23  VAL  22          HG23      VAL  22  -1.290  -0.020  -3.217
  200    H    GLN  23           HN       GLN  23  -2.821   2.606  -3.411
  201    HA   GLN  23           HA       GLN  23  -3.063   3.092  -0.588
  202    HB2  GLN  23           HB2      GLN  23  -5.171   2.461  -2.668
  203    HB3  GLN  23           HB1      GLN  23  -5.462   3.125  -1.067
  204    HG2  GLN  23           HG2      GLN  23  -4.476   5.185  -1.622
  205    HG3  GLN  23           HG1      GLN  23  -3.760   4.534  -3.095
  206   HE21  GLN  23          HE21      GLN  23  -6.641   5.756  -1.605
  207   HE22  GLN  23          HE22      GLN  23  -7.571   5.898  -3.055
  208    H    THR  24           HN       THR  24  -2.320   1.363   0.542
  209    HA   THR  24           HA       THR  24  -3.180  -1.317  -0.190
  210    HB   THR  24           HB       THR  24  -1.690  -1.940   1.816
  211    HG1  THR  24           HG1      THR  24  -0.270  -0.381   2.508
  212   HG21  THR  24          HG21      THR  24  -0.985  -2.310  -0.461
  213   HG22  THR  24          HG22      THR  24   0.370  -1.677   0.478
  214   HG23  THR  24          HG23      THR  24  -0.512  -0.618  -0.625
  215    H    CYS  25           HN       CYS  25  -4.116  -2.751   1.354
  216    HA   CYS  25           HA       CYS  25  -6.193  -1.469   2.879
  217    HB2  CYS  25           HB2      CYS  25  -7.090  -3.719   3.178
  218    HB3  CYS  25           HB1      CYS  25  -6.661  -3.469   1.496
  219    H    SER  26           HN       SER  26  -3.195  -3.150   3.467
  220    HA   SER  26           HA       SER  26  -3.201  -2.359   6.226
  221    HB2  SER  26           HB2      SER  26  -3.313  -5.318   5.568
  222    HB3  SER  26           HB1      SER  26  -2.993  -4.639   7.162
  223    HG   SER  26           HG       SER  26  -5.231  -3.536   6.242
  224    H    LEU  27           HN       LEU  27  -1.145  -3.390   7.324
  225    HA   LEU  27           HA       LEU  27   1.070  -2.600   5.777
  226    HB2  LEU  27           HB2      LEU  27   0.877  -4.153   8.346
  227    HB3  LEU  27           HB1      LEU  27   2.410  -3.698   7.630
  228    HG   LEU  27           HG       LEU  27   0.276  -1.748   8.501
  229   HD11  LEU  27          HD11      LEU  27   2.879  -2.506   9.818
  230   HD12  LEU  27          HD12      LEU  27   1.265  -2.915  10.400
  231   HD13  LEU  27          HD13      LEU  27   1.783  -1.231  10.348
  232   HD21  LEU  27          HD21      LEU  27   3.108  -1.336   7.543
  233   HD22  LEU  27          HD22      LEU  27   2.061  -0.079   8.203
  234   HD23  LEU  27          HD23      LEU  27   1.632  -0.876   6.691
  235    H    GLU  28           HN       GLU  28  -0.467  -5.679   6.249
  236    HA   GLU  28           HA       GLU  28   1.455  -7.462   5.376
  237    HB2  GLU  28           HB2      GLU  28  -0.794  -8.056   6.237
  238    HB3  GLU  28           HB1      GLU  28  -1.497  -7.512   4.722
  239    HG2  GLU  28           HG2      GLU  28  -0.232  -9.251   3.536
  240    HG3  GLU  28           HG1      GLU  28   0.412  -9.809   5.080
  241    H    CYS  29           HN       CYS  29  -0.568  -5.280   3.517
  242    HA   CYS  29           HA       CYS  29   0.457  -6.298   1.002
  243    HB2  CYS  29           HB2      CYS  29  -1.690  -4.385   1.800
  244    HB3  CYS  29           HB1      CYS  29  -1.052  -4.325   0.164
  245    H    SER  30           HN       SER  30   0.892  -3.586   3.156
  246    HA   SER  30           HA       SER  30   2.292  -1.909   1.377
  247    HB2  SER  30           HB2      SER  30   2.575  -2.153   4.384
  248    HB3  SER  30           HB1      SER  30   3.145  -0.804   3.400
  249    HG   SER  30           HG       SER  30   1.233  -0.038   3.860
  250    H    LYS  31           HN       LYS  31   3.338  -4.480   3.579
  251    HA   LYS  31           HA       LYS  31   6.111  -4.180   2.897
  252    HB2  LYS  31           HB2      LYS  31   6.512  -6.062   4.314
  253    HB3  LYS  31           HB1      LYS  31   5.274  -5.083   5.090
  254    HG2  LYS  31           HG2      LYS  31   3.552  -6.605   4.367
  255    HG3  LYS  31           HG1      LYS  31   4.728  -7.548   3.450
  256    HD2  LYS  31           HD2      LYS  31   5.914  -8.040   5.574
  257    HD3  LYS  31           HD1      LYS  31   4.633  -7.196   6.445
  258    HE2  LYS  31           HE2      LYS  31   2.992  -8.784   5.572
  259    HE3  LYS  31           HE1      LYS  31   4.268  -9.622   4.693
  260    HZ1  LYS  31           HZ1      LYS  31   4.070  -9.355   7.642
  261    HZ2  LYS  31           HZ2      LYS  31   5.323 -10.129   6.815
  262    HZ3  LYS  31           HZ3      LYS  31   3.755 -10.754   6.746
  263    H    LYS  32           HN       LYS  32   3.441  -5.674   1.445
  264    HA   LYS  32           HA       LYS  32   4.676  -7.938   0.303
  265    HB2  LYS  32           HB2      LYS  32   2.202  -7.528   0.532
  266    HB3  LYS  32           HB1      LYS  32   2.332  -6.422  -0.827
  267    HG2  LYS  32           HG2      LYS  32   2.816  -8.125  -2.333
  268    HG3  LYS  32           HG1      LYS  32   3.288  -9.247  -1.055
  269    HD2  LYS  32           HD2      LYS  32   0.983  -9.391  -0.305
  270    HD3  LYS  32           HD1      LYS  32   0.493  -8.230  -1.535
  271    HE2  LYS  32           HE2      LYS  32  -0.014 -10.523  -2.216
  272    HE3  LYS  32           HE1      LYS  32   1.163  -9.775  -3.291
  273    HZ1  LYS  32           HZ1      LYS  32   1.771 -12.046  -2.737
  274    HZ2  LYS  32           HZ2      LYS  32   1.796 -11.666  -1.092
  275    HZ3  LYS  32           HZ3      LYS  32   2.920 -10.962  -2.136
  276    H    HIS  33           HN       HIS  33   4.200  -4.609  -0.879
  277    HA   HIS  33           HA       HIS  33   5.535  -5.245  -3.343
  278    HB2  HIS  33           HB2      HIS  33   5.288  -2.945  -3.949
  279    HB3  HIS  33           HB1      HIS  33   3.797  -3.463  -3.182
  280    HD1  HIS  33           HD1      HIS  33   2.873  -1.661  -1.749
  281    HD2  HIS  33           HD2      HIS  33   7.013  -1.624  -1.798
  282    HE1  HIS  33           HE1      HIS  33   3.578   0.341  -0.387
  283    H    LYS  34           HN       LYS  34   6.556  -4.517  -0.198
  284    HA   LYS  34           HA       LYS  34   9.025  -3.226  -0.910
  285    HB2  LYS  34           HB2      LYS  34   8.206  -4.481   1.716
  286    HB3  LYS  34           HB1      LYS  34   9.588  -3.423   1.462
  287    HG2  LYS  34           HG2      LYS  34   8.087  -1.599   0.859
  288    HG3  LYS  34           HG1      LYS  34   6.700  -2.659   1.115
  289    HD2  LYS  34           HD2      LYS  34   7.410  -2.941   3.475
  290    HD3  LYS  34           HD1      LYS  34   8.711  -1.785   3.187
  291    HE2  LYS  34           HE2      LYS  34   5.787  -1.185   2.781
  292    HE3  LYS  34           HE1      LYS  34   6.682  -0.802   4.252
  293    HZ1  LYS  34           HZ1      LYS  34   7.391   0.199   1.555
  294    HZ2  LYS  34           HZ2      LYS  34   8.096   0.650   3.023
  295    HZ3  LYS  34           HZ3      LYS  34   6.494   1.072   2.695
  296    H    THR  35           HN       THR  35   7.960  -6.497  -0.271
  297    HA   THR  35           HA       THR  35  10.561  -7.566   0.150
  298    HB   THR  35           HB       THR  35   8.383  -8.598   0.923
  299    HG1  THR  35           HG1      THR  35  10.647  -9.762   0.099
  300   HG21  THR  35          HG21      THR  35   7.265 -10.141  -0.626
  301   HG22  THR  35          HG22      THR  35   8.286  -9.552  -1.938
  302   HG23  THR  35          HG23      THR  35   7.133  -8.466  -1.162
  303    H    ARG  36           HN       ARG  36   8.932  -6.590  -2.677
  304    HA   ARG  36           HA       ARG  36  10.792  -8.183  -4.314
  305    HB2  ARG  36           HB2      ARG  36   9.144  -7.845  -6.184
  306    HB3  ARG  36           HB1      ARG  36   8.596  -8.879  -4.872
  307    HG2  ARG  36           HG2      ARG  36   7.177  -7.187  -4.015
  308    HG3  ARG  36           HG1      ARG  36   7.890  -5.963  -5.069
  309    HD2  ARG  36           HD2      ARG  36   5.673  -6.760  -5.841
  310    HD3  ARG  36           HD1      ARG  36   6.961  -7.018  -7.015
  311    HE   ARG  36           HE       ARG  36   6.548  -9.305  -5.356
  312   HH11  ARG  36          HH11      ARG  36   5.287  -7.593  -8.134
  313   HH12  ARG  36          HH12      ARG  36   4.594  -9.009  -8.853
  314   HH21  ARG  36          HH21      ARG  36   5.653 -11.183  -6.313
  315   HH22  ARG  36          HH22      ARG  36   4.804 -11.055  -7.820
  316    H    ASP  37           HN       ASP  37   9.672  -4.982  -3.566
  317    HA   ASP  37           HA       ASP  37  11.244  -3.922  -5.816
  318    HB2  ASP  37           HB2      ASP  37   8.840  -3.383  -5.900
  319    HB3  ASP  37           HB1      ASP  37   8.964  -2.609  -4.325
  320    H    ASN  38           HN       ASN  38  11.259  -4.335  -2.527
  321    HA   ASN  38           HA       ASN  38  12.546  -3.595  -0.822
  322    HB2  ASN  38           HB2      ASN  38  14.226  -2.553  -3.105
  323    HB3  ASN  38           HB1      ASN  38  14.751  -2.590  -1.424
  324   HD21  ASN  38          HD21      ASN  38  14.180  -4.418  -4.282
  325   HD22  ASN  38          HD22      ASN  38  14.817  -5.918  -3.711
  326    H    CYS  39           HN       CYS  39  10.389  -1.944  -1.756
  327    HA   CYS  39           HA       CYS  39  11.209   0.792  -1.726
  328    HB2  CYS  39           HB2      CYS  39   9.265   0.204  -2.996
  329    HB3  CYS  39           HB1      CYS  39   8.514  -0.548  -1.595
  330    H    SER  40           HN       SER  40  12.062   1.547   0.117
  331    HA   SER  40           HA       SER  40  10.838   0.910   2.674
  332    HB2  SER  40           HB2      SER  40  13.343   1.016   2.410
  333    HB3  SER  40           HB1      SER  40  13.186   2.740   2.087
  334    HG   SER  40           HG       SER  40  12.656   1.327   4.474
  335    H    GLY  41           HN       GLY  41   9.794   2.487   3.955
  336    HA2  GLY  41           HA2      GLY  41   8.434   4.466   2.376
  337    HA3  GLY  41           HA1      GLY  41   8.159   4.131   4.079
  338    H    GLN  42           HN       GLN  42  10.369   5.658   1.829
  339    HA   GLN  42           HA       GLN  42  10.966   7.729   3.817
  340    HB2  GLN  42           HB2      GLN  42  13.016   6.404   2.022
  341    HB3  GLN  42           HB1      GLN  42  13.323   7.715   3.151
  342    HG2  GLN  42           HG2      GLN  42  12.817   6.263   5.019
  343    HG3  GLN  42           HG1      GLN  42  12.412   4.950   3.916
  344   HE21  GLN  42          HE21      GLN  42  13.968   3.566   4.670
  345   HE22  GLN  42          HE22      GLN  42  15.663   3.830   4.430
  346    H    THR  43           HN       THR  43   9.551   9.103   2.702
  347    HA   THR  43           HA       THR  43   9.647   9.531  -0.089
  348    HB   THR  43           HB       THR  43   8.741  11.748   1.663
  349    HG1  THR  43           HG1      THR  43   6.886  10.534   2.274
  350   HG21  THR  43          HG21      THR  43   6.828  11.686   0.120
  351   HG22  THR  43          HG22      THR  43   7.485  10.235  -0.634
  352   HG23  THR  43          HG23      THR  43   8.354  11.764  -0.758
  353    H    HIS  44           HN       HIS  44  11.862   9.809  -0.562
  354    HA   HIS  44           HA       HIS  44  13.383  11.962   0.564
  355    HB2  HIS  44           HB2      HIS  44  14.296   9.786  -0.412
  356    HB3  HIS  44           HB1      HIS  44  13.974  10.475  -1.997
  357    HD1  HIS  44           HD1      HIS  44  15.577  12.292  -2.854
  358    HD2  HIS  44           HD2      HIS  44  16.444  10.941   0.988
  359    HE1  HIS  44           HE1      HIS  44  17.867  13.190  -2.311
  360    HE2  HIS  44           HE2      HIS  44  18.430  12.221  -0.054
  361    H    ASP  45           HN       ASP  45  12.009  11.328  -2.654
  362    HA   ASP  45           HA       ASP  45  11.711  14.235  -3.004
  363    HB2  ASP  45           HB2      ASP  45  12.482  12.240  -5.151
  364    HB3  ASP  45           HB1      ASP  45  12.117  13.938  -5.431
  Start of MODEL    7
    1    H1   GLY  -2           HT1      GLY  -2 -21.382  -1.624  -6.979
    2    H2   GLY  -2           HT2      GLY  -2 -20.506  -3.067  -6.887
    3    H3   GLY  -2           HT3      GLY  -2 -19.885  -1.752  -7.752
    4    HA2  GLY  -2           HA1      GLY  -2 -20.329  -1.841  -4.825
    5    HA3  GLY  -2           HA2      GLY  -2 -18.770  -1.976  -5.626
    6    HA   PRO  -1           HA       PRO  -1 -20.179   2.535  -4.751
    7    HB2  PRO  -1           HB2      PRO  -1 -18.126   2.531  -2.641
    8    HB3  PRO  -1           HB1      PRO  -1 -19.800   3.087  -2.577
    9    HG2  PRO  -1           HG2      PRO  -1 -18.997   0.850  -1.318
   10    HG3  PRO  -1           HG1      PRO  -1 -20.616   1.005  -2.026
   11    HD2  PRO  -1           HD2      PRO  -1 -18.210  -0.422  -3.088
   12    HD3  PRO  -1           HD1      PRO  -1 -19.916  -0.913  -3.116
   13    H    HIS   0           HN       HIS   0 -19.247   3.426  -6.509
   14    HA   HIS   0           HA       HIS   0 -16.479   3.063  -7.148
   15    HB2  HIS   0           HB2      HIS   0 -18.623   4.823  -8.332
   16    HB3  HIS   0           HB1      HIS   0 -16.971   4.805  -8.933
   17    HD1  HIS   0           HD1      HIS   0 -19.897   3.698 -10.147
   18    HD2  HIS   0           HD2      HIS   0 -16.455   1.608  -9.114
   19    HE1  HIS   0           HE1      HIS   0 -19.985   1.557 -11.458
   20    HE2  HIS   0           HE2      HIS   0 -17.804   0.405 -10.965
   21    H    MET   1           HN       MET   1 -17.769   4.830  -4.781
   22    HA   MET   1           HA       MET   1 -16.087   7.182  -5.090
   23    HB2  MET   1           HB2      MET   1 -17.071   7.915  -2.970
   24    HB3  MET   1           HB1      MET   1 -18.319   7.468  -4.123
   25    HG2  MET   1           HG2      MET   1 -18.635   5.346  -3.009
   26    HG3  MET   1           HG1      MET   1 -17.324   5.709  -1.891
   27    HE1  MET   1           HE1      MET   1 -17.843   8.827  -1.280
   28    HE2  MET   1           HE2      MET   1 -17.429   7.620  -0.065
   29    HE3  MET   1           HE3      MET   1 -18.818   8.679   0.182
   30    H    ALA   2           HN       ALA   2 -15.650   4.057  -4.077
   31    HA   ALA   2           HA       ALA   2 -13.544   4.840  -2.170
   32    HB1  ALA   2           HB1      ALA   2 -15.377   3.714  -1.019
   33    HB2  ALA   2           HB2      ALA   2 -13.912   2.729  -1.001
   34    HB3  ALA   2           HB3      ALA   2 -15.224   2.338  -2.112
   35    H    VAL   3           HN       VAL   3 -11.652   3.607  -2.180
   36    HA   VAL   3           HA       VAL   3 -11.155   2.177  -4.707
   37    HB   VAL   3           HB       VAL   3  -9.179   3.699  -2.987
   38   HG11  VAL   3          HG11      VAL   3  -8.838   2.437  -5.702
   39   HG12  VAL   3          HG12      VAL   3  -8.143   1.857  -4.189
   40   HG13  VAL   3          HG13      VAL   3  -7.632   3.407  -4.856
   41   HG21  VAL   3          HG21      VAL   3  -9.130   5.340  -4.815
   42   HG22  VAL   3          HG22      VAL   3 -10.723   5.228  -4.067
   43   HG23  VAL   3          HG23      VAL   3 -10.425   4.460  -5.626
   44    H    LEU   4           HN       LEU   4 -10.234   0.182  -4.636
   45    HA   LEU   4           HA       LEU   4 -10.117  -1.155  -2.105
   46    HB2  LEU   4           HB2      LEU   4  -9.394  -2.071  -4.883
   47    HB3  LEU   4           HB1      LEU   4  -9.346  -3.096  -3.467
   48    HG   LEU   4           HG       LEU   4 -11.315  -3.603  -4.633
   49   HD11  LEU   4          HD11      LEU   4 -13.080  -3.057  -3.046
   50   HD12  LEU   4          HD12      LEU   4 -12.034  -1.839  -2.318
   51   HD13  LEU   4          HD13      LEU   4 -11.590  -3.547  -2.238
   52   HD21  LEU   4          HD21      LEU   4 -11.483  -1.670  -6.028
   53   HD22  LEU   4          HD22      LEU   4 -11.971  -0.691  -4.645
   54   HD23  LEU   4          HD23      LEU   4 -13.017  -1.988  -5.220
   55    H    CYS   5           HN       CYS   5  -8.191  -2.705  -1.897
   56    HA   CYS   5           HA       CYS   5  -5.839  -1.277  -1.348
   57    HB2  CYS   5           HB2      CYS   5  -6.611  -3.364  -0.263
   58    HB3  CYS   5           HB1      CYS   5  -6.282  -4.233  -1.750
   59    H    GLY   6           HN       GLY   6  -4.106  -0.819  -2.600
   60    HA2  GLY   6           HA2      GLY   6  -4.168  -1.274  -5.396
   61    HA3  GLY   6           HA1      GLY   6  -2.814  -0.625  -4.487
   62    H    VAL   7           HN       VAL   7  -3.044  -3.249  -2.829
   63    HA   VAL   7           HA       VAL   7  -1.334  -4.785  -4.630
   64    HB   VAL   7           HB       VAL   7  -1.784  -5.091  -1.659
   65   HG11  VAL   7          HG11      VAL   7   0.048  -6.717  -1.720
   66   HG12  VAL   7          HG12      VAL   7   0.117  -6.579  -3.477
   67   HG13  VAL   7          HG13      VAL   7  -1.313  -7.260  -2.702
   68   HG21  VAL   7          HG21      VAL   7   0.492  -4.265  -1.458
   69   HG22  VAL   7          HG22      VAL   7  -0.504  -3.101  -2.334
   70   HG23  VAL   7          HG23      VAL   7   0.621  -4.139  -3.212
   71    H    CYS   8           HN       CYS   8  -3.924  -5.627  -2.267
   72    HA   CYS   8           HA       CYS   8  -4.307  -8.064  -3.802
   73    HB2  CYS   8           HB2      CYS   8  -5.652  -8.892  -1.957
   74    HB3  CYS   8           HB1      CYS   8  -4.090  -8.325  -1.384
   75    H    GLY   9           HN       GLY   9  -5.632  -5.011  -3.733
   76    HA2  GLY   9           HA2      GLY   9  -7.322  -4.089  -4.965
   77    HA3  GLY   9           HA1      GLY   9  -7.384  -5.609  -5.832
   78    H    ILE  10           HN       ILE  10  -8.073  -5.328  -2.374
   79    HA   ILE  10           HA       ILE  10 -10.920  -5.518  -2.881
   80    HB   ILE  10           HB       ILE  10 -11.140  -7.585  -1.487
   81   HG12  ILE  10          HG12      ILE  10  -8.874  -8.997  -1.682
   82   HG13  ILE  10          HG11      ILE  10  -8.179  -7.388  -1.533
   83   HG21  ILE  10          HG21      ILE  10 -10.634  -9.153  -3.233
   84   HG22  ILE  10          HG22      ILE  10  -9.498  -8.022  -3.967
   85   HG23  ILE  10          HG23      ILE  10 -11.226  -7.656  -3.956
   86   HD11  ILE  10          HD11      ILE  10  -9.539  -7.088   0.529
   87   HD12  ILE  10          HD12      ILE  10  -8.291  -8.330   0.631
   88   HD13  ILE  10          HD13      ILE  10  -9.981  -8.789   0.413
   89    H    LYS  11           HN       LYS  11 -12.146  -5.693  -0.829
   90    HA   LYS  11           HA       LYS  11 -12.840  -4.877   1.139
   91    HB2  LYS  11           HB2      LYS  11 -11.736  -5.615   3.040
   92    HB3  LYS  11           HB1      LYS  11 -11.241  -6.751   1.800
   93    HG2  LYS  11           HG2      LYS  11  -9.087  -5.653   1.610
   94    HG3  LYS  11           HG1      LYS  11  -9.594  -4.414   2.756
   95    HD2  LYS  11           HD2      LYS  11  -9.355  -7.359   3.367
   96    HD3  LYS  11           HD1      LYS  11  -8.169  -6.126   3.800
   97    HE2  LYS  11           HE2      LYS  11 -11.036  -6.221   4.743
   98    HE3  LYS  11           HE1      LYS  11  -9.627  -6.696   5.688
   99    HZ1  LYS  11           HZ1      LYS  11 -10.109  -3.965   4.621
  100    HZ2  LYS  11           HZ2      LYS  11  -8.819  -4.444   5.603
  101    HZ3  LYS  11           HZ3      LYS  11 -10.393  -4.449   6.217
  102    H    GLU  12           HN       GLU  12 -11.539  -2.901  -0.609
  103    HA   GLU  12           HA       GLU  12 -11.121  -0.667  -0.575
  104    HB2  GLU  12           HB2      GLU  12 -12.003  -0.974   2.292
  105    HB3  GLU  12           HB1      GLU  12 -11.617   0.579   1.563
  106    HG2  GLU  12           HG2      GLU  12 -13.401   0.405   0.030
  107    HG3  GLU  12           HG1      GLU  12 -13.685  -1.285   0.443
  108    H    PHE  13           HN       PHE  13  -9.707   1.043   0.498
  109    HA   PHE  13           HA       PHE  13  -7.223  -0.258   1.362
  110    HB2  PHE  13           HB2      PHE  13  -6.028   1.577   0.477
  111    HB3  PHE  13           HB1      PHE  13  -7.262   1.219  -0.717
  112    HD1  PHE  13           HD2      PHE  13  -9.266   2.705  -0.897
  113    HD2  PHE  13           HD1      PHE  13  -5.926   3.657   1.574
  114    HE1  PHE  13           HE2      PHE  13  -9.997   5.052  -0.812
  115    HE2  PHE  13           HE1      PHE  13  -6.648   6.008   1.652
  116    HZ   PHE  13           HZ       PHE  13  -8.689   6.706   0.461
  117    H    LYS  14           HN       LYS  14  -5.887   0.964   2.914
  118    HA   LYS  14           HA       LYS  14  -7.373   2.745   4.686
  119    HB2  LYS  14           HB2      LYS  14  -7.647   0.543   5.658
  120    HB3  LYS  14           HB1      LYS  14  -5.919   0.248   5.562
  121    HG2  LYS  14           HG2      LYS  14  -5.477   1.901   7.228
  122    HG3  LYS  14           HG1      LYS  14  -7.163   2.422   7.230
  123    HD2  LYS  14           HD2      LYS  14  -6.165  -0.306   8.044
  124    HD3  LYS  14           HD1      LYS  14  -6.626   0.986   9.154
  125    HE2  LYS  14           HE2      LYS  14  -8.904   0.946   8.208
  126    HE3  LYS  14           HE1      LYS  14  -8.427  -0.394   7.168
  127    HZ1  LYS  14           HZ1      LYS  14  -9.564  -1.207   9.108
  128    HZ2  LYS  14           HZ2      LYS  14  -8.479  -0.418  10.132
  129    HZ3  LYS  14           HZ3      LYS  14  -7.947  -1.695   9.163
  130    H    TYR  15           HN       TYR  15  -4.417   1.523   3.388
  131    HA   TYR  15           HA       TYR  15  -2.888   3.675   4.694
  132    HB2  TYR  15           HB2      TYR  15  -1.952   1.027   3.568
  133    HB3  TYR  15           HB1      TYR  15  -0.888   2.273   4.204
  134    HD1  TYR  15           HD2      TYR  15  -3.840   0.245   5.242
  135    HD2  TYR  15           HD1      TYR  15  -0.183   2.081   6.383
  136    HE1  TYR  15           HE2      TYR  15  -4.058  -0.737   7.483
  137    HE2  TYR  15           HE1      TYR  15  -0.382   1.097   8.628
  138    HH   TYR  15           HH       TYR  15  -2.592  -1.360   9.372
  139    H    LYS  16           HN       LYS  16  -0.841   4.119   3.263
  140    HA   LYS  16           HA       LYS  16  -1.135   3.837   0.437
  141    HB2  LYS  16           HB2      LYS  16  -2.687   5.727   0.835
  142    HB3  LYS  16           HB1      LYS  16  -1.385   6.619   1.608
  143    HG2  LYS  16           HG2      LYS  16  -0.179   6.783  -0.458
  144    HG3  LYS  16           HG1      LYS  16  -1.312   5.690  -1.255
  145    HD2  LYS  16           HD2      LYS  16  -1.740   8.024  -1.851
  146    HD3  LYS  16           HD1      LYS  16  -3.100   7.318  -0.980
  147    HE2  LYS  16           HE2      LYS  16  -2.360   8.399   1.076
  148    HE3  LYS  16           HE1      LYS  16  -0.970   9.078   0.231
  149    HZ1  LYS  16           HZ1      LYS  16  -3.809   9.651  -0.429
  150    HZ2  LYS  16           HZ2      LYS  16  -2.453  10.351  -1.157
  151    HZ3  LYS  16           HZ3      LYS  16  -2.796  10.668   0.466
  152    H    CYS  17           HN       CYS  17   0.901   3.125   0.201
  153    HA   CYS  17           HA       CYS  17   3.132   3.808   1.675
  154    HB2  CYS  17           HB2      CYS  17   3.165   1.931   0.122
  155    HB3  CYS  17           HB1      CYS  17   3.020   3.029  -1.248
  156    HA   PRO  18           HA       PRO  18   3.658   8.105   0.566
  157    HB2  PRO  18           HB2      PRO  18   6.177   8.330   1.686
  158    HB3  PRO  18           HB1      PRO  18   4.659   8.525   2.566
  159    HG2  PRO  18           HG2      PRO  18   6.475   6.171   2.404
  160    HG3  PRO  18           HG1      PRO  18   5.552   6.785   3.786
  161    HD2  PRO  18           HD2      PRO  18   4.769   4.627   2.380
  162    HD3  PRO  18           HD1      PRO  18   3.605   5.754   3.104
  163    H    ARG  19           HN       ARG  19   5.680   5.464  -0.342
  164    HA   ARG  19           HA       ARG  19   7.218   7.116  -2.202
  165    HB2  ARG  19           HB2      ARG  19   7.483   4.259  -1.297
  166    HB3  ARG  19           HB1      ARG  19   8.384   4.890  -2.669
  167    HG2  ARG  19           HG2      ARG  19   9.378   6.597  -1.193
  168    HG3  ARG  19           HG1      ARG  19   8.522   5.876   0.173
  169    HD2  ARG  19           HD2      ARG  19  10.866   5.126   0.010
  170    HD3  ARG  19           HD1      ARG  19   9.712   3.801  -0.119
  171    HE   ARG  19           HE       ARG  19  10.160   4.437  -2.697
  172   HH11  ARG  19          HH11      ARG  19  12.327   3.755  -0.031
  173   HH12  ARG  19          HH12      ARG  19  13.580   3.126  -1.054
  174   HH21  ARG  19          HH21      ARG  19  11.779   3.581  -4.033
  175   HH22  ARG  19          HH22      ARG  19  13.270   3.022  -3.339
  176    H    CYS  20           HN       CYS  20   5.027   4.319  -2.222
  177    HA   CYS  20           HA       CYS  20   5.107   4.251  -5.127
  178    HB2  CYS  20           HB2      CYS  20   3.618   2.492  -3.171
  179    HB3  CYS  20           HB1      CYS  20   3.705   2.230  -4.906
  180    H    LEU  21           HN       LEU  21   3.168   5.484  -2.629
  181    HA   LEU  21           HA       LEU  21   1.159   6.473  -2.460
  182    HB2  LEU  21           HB2      LEU  21   1.232   6.677  -5.468
  183    HB3  LEU  21           HB1      LEU  21   0.181   7.577  -4.392
  184    HG   LEU  21           HG       LEU  21   3.087   7.952  -4.949
  185   HD11  LEU  21          HD11      LEU  21   2.408  10.295  -4.989
  186   HD12  LEU  21          HD12      LEU  21   0.766   9.820  -4.555
  187   HD13  LEU  21          HD13      LEU  21   1.453   9.313  -6.099
  188   HD21  LEU  21          HD21      LEU  21   3.295   9.361  -2.938
  189   HD22  LEU  21          HD22      LEU  21   3.085   7.651  -2.556
  190   HD23  LEU  21          HD23      LEU  21   1.728   8.769  -2.383
  191    H    VAL  22           HN       VAL  22   1.552   3.550  -3.173
  192    HA   VAL  22           HA       VAL  22  -0.955   2.794  -4.323
  193    HB   VAL  22           HB       VAL  22   1.079   1.411  -4.661
  194   HG11  VAL  22          HG11      VAL  22   0.765   0.627  -1.769
  195   HG12  VAL  22          HG12      VAL  22   2.044   1.659  -2.406
  196   HG13  VAL  22          HG13      VAL  22   1.935  -0.024  -2.918
  197   HG21  VAL  22          HG21      VAL  22  -0.001  -0.770  -4.258
  198   HG22  VAL  22          HG22      VAL  22  -1.077   0.412  -5.002
  199   HG23  VAL  22          HG23      VAL  22  -1.222   0.047  -3.282
  200    H    GLN  23           HN       GLN  23  -2.756   2.643  -3.293
  201    HA   GLN  23           HA       GLN  23  -2.854   3.082  -0.441
  202    HB2  GLN  23           HB2      GLN  23  -5.008   2.840  -2.546
  203    HB3  GLN  23           HB1      GLN  23  -5.317   3.219  -0.854
  204    HG2  GLN  23           HG2      GLN  23  -4.161   5.272  -1.000
  205    HG3  GLN  23           HG1      GLN  23  -3.471   4.857  -2.564
  206   HE21  GLN  23          HE21      GLN  23  -6.812   4.238  -1.807
  207   HE22  GLN  23          HE22      GLN  23  -7.475   5.471  -2.824
  208    H    THR  24           HN       THR  24  -2.305   1.339   0.664
  209    HA   THR  24           HA       THR  24  -3.195  -1.303  -0.161
  210    HB   THR  24           HB       THR  24  -1.730  -1.962   1.882
  211    HG1  THR  24           HG1      THR  24  -0.496   0.529   1.387
  212   HG21  THR  24          HG21      THR  24  -0.454  -0.679  -0.535
  213   HG22  THR  24          HG22      THR  24  -1.096  -2.321  -0.459
  214   HG23  THR  24          HG23      THR  24   0.290  -1.869   0.531
  215    H    CYS  25           HN       CYS  25  -4.101  -2.790   1.436
  216    HA   CYS  25           HA       CYS  25  -6.199  -1.509   2.937
  217    HB2  CYS  25           HB2      CYS  25  -7.089  -3.745   3.266
  218    HB3  CYS  25           HB1      CYS  25  -6.623  -3.551   1.587
  219    H    SER  26           HN       SER  26  -3.172  -3.118   3.577
  220    HA   SER  26           HA       SER  26  -3.205  -2.256   6.317
  221    HB2  SER  26           HB2      SER  26  -3.242  -5.235   5.736
  222    HB3  SER  26           HB1      SER  26  -2.951  -4.507   7.313
  223    HG   SER  26           HG       SER  26  -5.188  -3.457   6.440
  224    H    LEU  27           HN       LEU  27  -1.111  -2.997   7.436
  225    HA   LEU  27           HA       LEU  27   1.094  -2.348   5.858
  226    HB2  LEU  27           HB2      LEU  27   0.937  -3.815   8.483
  227    HB3  LEU  27           HB1      LEU  27   2.454  -3.355   7.740
  228    HG   LEU  27           HG       LEU  27   0.294  -1.425   8.592
  229   HD11  LEU  27          HD11      LEU  27   1.359  -2.519  10.496
  230   HD12  LEU  27          HD12      LEU  27   1.830  -0.825  10.387
  231   HD13  LEU  27          HD13      LEU  27   2.946  -2.085   9.866
  232   HD21  LEU  27          HD21      LEU  27   2.038   0.274   8.209
  233   HD22  LEU  27          HD22      LEU  27   1.587  -0.569   6.728
  234   HD23  LEU  27          HD23      LEU  27   3.092  -0.978   7.552
  235    H    GLU  28           HN       GLU  28  -0.410  -5.413   6.517
  236    HA   GLU  28           HA       GLU  28   1.468  -7.256   5.715
  237    HB2  GLU  28           HB2      GLU  28  -0.865  -7.695   6.565
  238    HB3  GLU  28           HB1      GLU  28  -1.454  -7.337   4.950
  239    HG2  GLU  28           HG2      GLU  28  -1.320  -9.707   5.220
  240    HG3  GLU  28           HG1      GLU  28  -0.078  -9.193   4.079
  241    H    CYS  29           HN       CYS  29  -0.620  -5.242   3.708
  242    HA   CYS  29           HA       CYS  29   0.496  -6.355   1.267
  243    HB2  CYS  29           HB2      CYS  29  -1.739  -4.484   1.927
  244    HB3  CYS  29           HB1      CYS  29  -1.092  -4.509   0.300
  245    H    SER  30           HN       SER  30   0.861  -3.600   3.343
  246    HA   SER  30           HA       SER  30   2.036  -1.820   1.489
  247    HB2  SER  30           HB2      SER  30   2.623  -1.961   4.452
  248    HB3  SER  30           HB1      SER  30   2.737  -0.550   3.400
  249    HG   SER  30           HG       SER  30   0.429  -0.739   3.112
  250    H    LYS  31           HN       LYS  31   3.305  -4.405   3.511
  251    HA   LYS  31           HA       LYS  31   6.036  -3.834   2.707
  252    HB2  LYS  31           HB2      LYS  31   6.674  -5.621   4.202
  253    HB3  LYS  31           HB1      LYS  31   5.519  -4.573   5.011
  254    HG2  LYS  31           HG2      LYS  31   3.734  -6.195   4.521
  255    HG3  LYS  31           HG1      LYS  31   4.936  -7.260   3.786
  256    HD2  LYS  31           HD2      LYS  31   6.135  -7.369   5.921
  257    HD3  LYS  31           HD1      LYS  31   4.923  -6.316   6.650
  258    HE2  LYS  31           HE2      LYS  31   3.198  -8.013   6.117
  259    HE3  LYS  31           HE1      LYS  31   4.472  -9.072   5.518
  260    HZ1  LYS  31           HZ1      LYS  31   5.469  -9.035   7.727
  261    HZ2  LYS  31           HZ2      LYS  31   3.889  -9.628   7.778
  262    HZ3  LYS  31           HZ3      LYS  31   4.215  -8.053   8.293
  263    H    LYS  32           HN       LYS  32   3.458  -5.419   1.376
  264    HA   LYS  32           HA       LYS  32   4.596  -7.810   0.416
  265    HB2  LYS  32           HB2      LYS  32   2.158  -7.329   0.471
  266    HB3  LYS  32           HB1      LYS  32   2.383  -6.174  -0.833
  267    HG2  LYS  32           HG2      LYS  32   1.557  -8.203  -1.767
  268    HG3  LYS  32           HG1      LYS  32   3.246  -8.022  -2.246
  269    HD2  LYS  32           HD2      LYS  32   3.906  -9.554  -0.445
  270    HD3  LYS  32           HD1      LYS  32   2.209  -9.748  -0.001
  271    HE2  LYS  32           HE2      LYS  32   3.372 -10.429  -2.696
  272    HE3  LYS  32           HE1      LYS  32   3.084 -11.595  -1.406
  273    HZ1  LYS  32           HZ1      LYS  32   1.030  -9.963  -2.793
  274    HZ2  LYS  32           HZ2      LYS  32   0.723 -10.995  -1.494
  275    HZ3  LYS  32           HZ3      LYS  32   1.270 -11.629  -2.961
  276    H    HIS  33           HN       HIS  33   4.298  -4.579  -1.019
  277    HA   HIS  33           HA       HIS  33   5.612  -5.402  -3.432
  278    HB2  HIS  33           HB2      HIS  33   5.505  -3.067  -4.112
  279    HB3  HIS  33           HB1      HIS  33   3.952  -3.594  -3.486
  280    HD1  HIS  33           HD1      HIS  33   2.911  -1.682  -2.276
  281    HD2  HIS  33           HD2      HIS  33   7.003  -1.856  -1.682
  282    HE1  HIS  33           HE1      HIS  33   3.487   0.231  -0.720
  283    H    LYS  34           HN       LYS  34   6.690  -4.592  -0.354
  284    HA   LYS  34           HA       LYS  34   9.057  -3.157  -1.104
  285    HB2  LYS  34           HB2      LYS  34   8.326  -4.466   1.520
  286    HB3  LYS  34           HB1      LYS  34   9.668  -3.358   1.269
  287    HG2  LYS  34           HG2      LYS  34   8.051  -1.604   0.635
  288    HG3  LYS  34           HG1      LYS  34   6.738  -2.722   1.007
  289    HD2  LYS  34           HD2      LYS  34   7.644  -2.904   3.325
  290    HD3  LYS  34           HD1      LYS  34   8.811  -1.646   2.915
  291    HE2  LYS  34           HE2      LYS  34   6.976  -0.110   2.412
  292    HE3  LYS  34           HE1      LYS  34   5.809  -1.364   2.822
  293    HZ1  LYS  34           HZ1      LYS  34   6.120   0.146   4.662
  294    HZ2  LYS  34           HZ2      LYS  34   7.785  -0.150   4.677
  295    HZ3  LYS  34           HZ3      LYS  34   6.703  -1.384   5.077
  296    H    THR  35           HN       THR  35   8.204  -6.475  -0.479
  297    HA   THR  35           HA       THR  35  10.899  -7.360  -0.124
  298    HB   THR  35           HB       THR  35   8.905  -8.491   0.881
  299    HG1  THR  35           HG1      THR  35  10.899  -9.805  -0.620
  300   HG21  THR  35          HG21      THR  35   7.391  -8.459  -1.009
  301   HG22  THR  35          HG22      THR  35   7.696 -10.127  -0.528
  302   HG23  THR  35          HG23      THR  35   8.496  -9.459  -1.949
  303    H    ARG  36           HN       ARG  36   9.060  -6.589  -2.869
  304    HA   ARG  36           HA       ARG  36  10.812  -8.264  -4.540
  305    HB2  ARG  36           HB2      ARG  36   8.954  -8.357  -6.190
  306    HB3  ARG  36           HB1      ARG  36   8.593  -9.159  -4.669
  307    HG2  ARG  36           HG2      ARG  36   7.263  -7.263  -3.952
  308    HG3  ARG  36           HG1      ARG  36   7.667  -6.399  -5.438
  309    HD2  ARG  36           HD2      ARG  36   5.452  -7.395  -5.601
  310    HD3  ARG  36           HD1      ARG  36   6.556  -8.145  -6.751
  311    HE   ARG  36           HE       ARG  36   6.600  -9.688  -4.434
  312   HH11  ARG  36          HH11      ARG  36   4.330  -8.819  -6.960
  313   HH12  ARG  36          HH12      ARG  36   3.396 -10.269  -6.784
  314   HH21  ARG  36          HH21      ARG  36   5.378 -11.599  -4.226
  315   HH22  ARG  36          HH22      ARG  36   3.994 -11.852  -5.244
  316    H    ASP  37           HN       ASP  37  10.111  -5.120  -3.718
  317    HA   ASP  37           HA       ASP  37  11.178  -4.174  -6.291
  318    HB2  ASP  37           HB2      ASP  37   8.732  -3.741  -6.152
  319    HB3  ASP  37           HB1      ASP  37   9.011  -2.771  -4.712
  320    H    ASN  38           HN       ASN  38  11.771  -4.479  -3.124
  321    HA   ASN  38           HA       ASN  38  13.224  -3.579  -1.649
  322    HB2  ASN  38           HB2      ASN  38  14.289  -2.231  -4.134
  323    HB3  ASN  38           HB1      ASN  38  15.082  -2.176  -2.565
  324   HD21  ASN  38          HD21      ASN  38  14.373  -4.085  -5.344
  325   HD22  ASN  38          HD22      ASN  38  15.384  -5.426  -4.940
  326    H    CYS  39           HN       CYS  39  10.677  -2.183  -2.169
  327    HA   CYS  39           HA       CYS  39  11.245   0.613  -1.790
  328    HB2  CYS  39           HB2      CYS  39   9.166  -0.097  -2.909
  329    HB3  CYS  39           HB1      CYS  39   8.656  -0.917  -1.437
  330    H    SER  40           HN       SER  40  11.048   1.780   0.113
  331    HA   SER  40           HA       SER  40  11.301   0.216   2.560
  332    HB2  SER  40           HB2      SER  40  11.919   2.465   3.550
  333    HB3  SER  40           HB1      SER  40  13.004   1.876   2.301
  334    HG   SER  40           HG       SER  40  12.258   4.156   2.180
  335    H    GLY  41           HN       GLY  41   9.107   2.278   0.898
  336    HA2  GLY  41           HA2      GLY  41   6.966   2.959   1.373
  337    HA3  GLY  41           HA1      GLY  41   6.980   1.831   2.719
  338    H    GLN  42           HN       GLN  42   9.209   4.516   2.237
  339    HA   GLN  42           HA       GLN  42   7.923   6.125   4.245
  340    HB2  GLN  42           HB2      GLN  42   9.783   6.107   5.811
  341    HB3  GLN  42           HB1      GLN  42   9.182   4.472   5.592
  342    HG2  GLN  42           HG2      GLN  42  11.045   4.162   3.914
  343    HG3  GLN  42           HG1      GLN  42  11.705   5.678   4.524
  344   HE21  GLN  42          HE21      GLN  42  13.551   4.683   5.324
  345   HE22  GLN  42          HE22      GLN  42  13.521   3.684   6.735
  346    H    THR  43           HN       THR  43   8.660   8.260   4.187
  347    HA   THR  43           HA       THR  43  10.588   8.804   2.039
  348    HB   THR  43           HB       THR  43   9.188  10.928   1.657
  349    HG1  THR  43           HG1      THR  43   7.872  10.630   3.553
  350   HG21  THR  43          HG21      THR  43   7.625   9.721   0.161
  351   HG22  THR  43          HG22      THR  43   8.104   8.207   0.927
  352   HG23  THR  43          HG23      THR  43   9.286   9.149   0.021
  353    H    HIS  44           HN       HIS  44  12.347   9.336   3.268
  354    HA   HIS  44           HA       HIS  44  12.092  11.361   5.346
  355    HB2  HIS  44           HB2      HIS  44  13.658   9.427   5.610
  356    HB3  HIS  44           HB1      HIS  44  14.593  10.046   4.255
  357    HD1  HIS  44           HD1      HIS  44  16.054  12.159   4.677
  358    HD2  HIS  44           HD2      HIS  44  14.001  10.785   8.026
  359    HE1  HIS  44           HE1      HIS  44  17.110  13.312   6.644
  360    HE2  HIS  44           HE2      HIS  44  16.003  12.294   8.658
  361    H    ASP  45           HN       ASP  45  13.305  10.960   2.081
  362    HA   ASP  45           HA       ASP  45  13.302  13.861   1.755
  363    HB2  ASP  45           HB2      ASP  45  15.640  12.076   1.047
  364    HB3  ASP  45           HB1      ASP  45  15.438  13.708   0.421
  Start of MODEL    8
    1    H1   GLY  -2           HT1      GLY  -2 -11.652  13.323   8.476
    2    H2   GLY  -2           HT2      GLY  -2 -10.103  12.845   8.946
    3    H3   GLY  -2           HT3      GLY  -2 -11.141  11.736   8.203
    4    HA2  GLY  -2           HA1      GLY  -2 -10.023  14.167   6.931
    5    HA3  GLY  -2           HA2      GLY  -2  -9.457  12.524   6.659
    6    HA   PRO  -1           HA       PRO  -1 -12.727  13.327   3.494
    7    HB2  PRO  -1           HB2      PRO  -1 -11.342  12.379   1.376
    8    HB3  PRO  -1           HB1      PRO  -1 -11.176  14.043   1.945
    9    HG2  PRO  -1           HG2      PRO  -1  -9.395  11.689   2.430
   10    HG3  PRO  -1           HG1      PRO  -1  -8.958  13.368   2.063
   11    HD2  PRO  -1           HD2      PRO  -1  -8.912  12.321   4.582
   12    HD3  PRO  -1           HD1      PRO  -1  -9.202  14.037   4.245
   13    H    HIS   0           HN       HIS   0 -14.225  11.826   2.999
   14    HA   HIS   0           HA       HIS   0 -13.741   9.076   3.749
   15    HB2  HIS   0           HB2      HIS   0 -16.169  10.597   2.841
   16    HB3  HIS   0           HB1      HIS   0 -16.182   8.838   2.880
   17    HD1  HIS   0           HD1      HIS   0 -16.706   7.769   5.071
   18    HD2  HIS   0           HD2      HIS   0 -15.670  11.777   5.472
   19    HE1  HIS   0           HE1      HIS   0 -17.140   8.343   7.478
   20    HE2  HIS   0           HE2      HIS   0 -16.428  10.746   7.721
   21    H    MET   1           HN       MET   1 -12.049   8.853   2.104
   22    HA   MET   1           HA       MET   1 -13.045   8.478  -0.618
   23    HB2  MET   1           HB2      MET   1 -10.239   8.353   0.508
   24    HB3  MET   1           HB1      MET   1 -10.650   8.127  -1.186
   25    HG2  MET   1           HG2      MET   1 -11.495  10.398  -1.308
   26    HG3  MET   1           HG1      MET   1 -11.162  10.628   0.405
   27    HE1  MET   1           HE1      MET   1  -8.891   8.698  -2.194
   28    HE2  MET   1           HE2      MET   1  -7.895  10.023  -2.795
   29    HE3  MET   1           HE3      MET   1  -9.625   9.999  -3.130
   30    H    ALA   2           HN       ALA   2 -12.026   6.471  -1.729
   31    HA   ALA   2           HA       ALA   2 -11.718   4.132  -0.142
   32    HB1  ALA   2           HB1      ALA   2 -13.714   2.954  -0.927
   33    HB2  ALA   2           HB2      ALA   2 -14.287   4.434  -1.697
   34    HB3  ALA   2           HB3      ALA   2 -14.144   4.353   0.058
   35    H    VAL   3           HN       VAL   3 -12.061   2.193  -1.799
   36    HA   VAL   3           HA       VAL   3 -11.247   2.415  -4.423
   37    HB   VAL   3           HB       VAL   3  -9.404   3.759  -3.080
   38   HG11  VAL   3          HG11      VAL   3  -8.139   1.073  -2.909
   39   HG12  VAL   3          HG12      VAL   3  -9.153   1.674  -1.600
   40   HG13  VAL   3          HG13      VAL   3  -7.718   2.582  -2.093
   41   HG21  VAL   3          HG21      VAL   3  -8.697   1.723  -5.158
   42   HG22  VAL   3          HG22      VAL   3  -7.649   3.027  -4.609
   43   HG23  VAL   3          HG23      VAL   3  -9.171   3.403  -5.424
   44    H    LEU   4           HN       LEU   4  -9.846   0.310  -4.944
   45    HA   LEU   4           HA       LEU   4 -10.079  -1.533  -2.684
   46    HB2  LEU   4           HB2      LEU   4 -10.111  -2.152  -5.641
   47    HB3  LEU   4           HB1      LEU   4  -9.872  -3.380  -4.413
   48    HG   LEU   4           HG       LEU   4 -12.336  -1.676  -4.784
   49   HD11  LEU   4          HD11      LEU   4 -12.103  -3.455  -6.428
   50   HD12  LEU   4          HD12      LEU   4 -13.423  -3.790  -5.309
   51   HD13  LEU   4          HD13      LEU   4 -11.883  -4.631  -5.135
   52   HD21  LEU   4          HD21      LEU   4 -13.291  -3.137  -2.997
   53   HD22  LEU   4          HD22      LEU   4 -12.056  -2.012  -2.436
   54   HD23  LEU   4          HD23      LEU   4 -11.655  -3.719  -2.669
   55    H    CYS   5           HN       CYS   5  -8.347  -2.518  -1.988
   56    HA   CYS   5           HA       CYS   5  -5.969  -1.307  -1.838
   57    HB2  CYS   5           HB2      CYS   5  -6.691  -3.190  -0.478
   58    HB3  CYS   5           HB1      CYS   5  -6.447  -4.281  -1.829
   59    H    GLY   6           HN       GLY   6  -4.294  -0.879  -3.079
   60    HA2  GLY   6           HA2      GLY   6  -4.248  -1.539  -5.814
   61    HA3  GLY   6           HA1      GLY   6  -2.943  -0.780  -4.926
   62    H    VAL   7           HN       VAL   7  -3.005  -3.269  -3.109
   63    HA   VAL   7           HA       VAL   7  -1.129  -4.750  -4.773
   64    HB   VAL   7           HB       VAL   7  -1.657  -4.933  -1.807
   65   HG11  VAL   7          HG11      VAL   7  -0.927  -7.086  -2.658
   66   HG12  VAL   7          HG12      VAL   7   0.366  -6.327  -1.730
   67   HG13  VAL   7          HG13      VAL   7   0.423  -6.319  -3.491
   68   HG21  VAL   7          HG21      VAL   7   0.626  -3.748  -3.381
   69   HG22  VAL   7          HG22      VAL   7   0.586  -3.918  -1.625
   70   HG23  VAL   7          HG23      VAL   7  -0.573  -2.863  -2.438
   71    H    CYS   8           HN       CYS   8  -3.693  -5.735  -2.437
   72    HA   CYS   8           HA       CYS   8  -3.730  -8.320  -3.763
   73    HB2  CYS   8           HB2      CYS   8  -5.108  -9.107  -1.926
   74    HB3  CYS   8           HB1      CYS   8  -3.694  -8.274  -1.305
   75    H    GLY   9           HN       GLY   9  -5.447  -5.423  -3.941
   76    HA2  GLY   9           HA2      GLY   9  -7.055  -4.841  -5.474
   77    HA3  GLY   9           HA1      GLY   9  -7.073  -6.506  -6.021
   78    H    ILE  10           HN       ILE  10  -7.653  -6.080  -2.637
   79    HA   ILE  10           HA       ILE  10 -10.539  -6.234  -3.135
   80    HB   ILE  10           HB       ILE  10 -10.784  -7.993  -1.434
   81   HG12  ILE  10          HG12      ILE  10  -8.481  -9.305  -1.086
   82   HG13  ILE  10          HG11      ILE  10  -7.830  -7.682  -1.261
   83   HG21  ILE  10          HG21      ILE  10 -10.714  -8.633  -3.762
   84   HG22  ILE  10          HG22      ILE  10  -9.937  -9.866  -2.770
   85   HG23  ILE  10          HG23      ILE  10  -8.955  -8.740  -3.707
   86   HD11  ILE  10          HD11      ILE  10  -9.326  -6.929   0.550
   87   HD12  ILE  10          HD12      ILE  10  -8.151  -8.148   1.060
   88   HD13  ILE  10          HD13      ILE  10  -9.832  -8.603   0.778
   89    H    LYS  11           HN       LYS  11 -11.852  -5.643  -1.388
   90    HA   LYS  11           HA       LYS  11 -12.585  -4.256   0.199
   91    HB2  LYS  11           HB2      LYS  11 -11.807  -4.566   2.349
   92    HB3  LYS  11           HB1      LYS  11 -11.292  -6.033   1.538
   93    HG2  LYS  11           HG2      LYS  11  -9.031  -5.043   1.293
   94    HG3  LYS  11           HG1      LYS  11  -9.582  -3.657   2.236
   95    HD2  LYS  11           HD2      LYS  11  -9.537  -6.525   3.176
   96    HD3  LYS  11           HD1      LYS  11  -8.377  -5.278   3.628
   97    HE2  LYS  11           HE2      LYS  11 -11.336  -5.228   4.209
   98    HE3  LYS  11           HE1      LYS  11 -10.068  -5.626   5.365
   99    HZ1  LYS  11           HZ1      LYS  11 -10.793  -3.343   5.603
  100    HZ2  LYS  11           HZ2      LYS  11 -10.399  -3.014   3.996
  101    HZ3  LYS  11           HZ3      LYS  11  -9.181  -3.396   5.104
  102    H    GLU  12           HN       GLU  12 -12.093  -2.313   1.622
  103    HA   GLU  12           HA       GLU  12 -11.082  -0.308  -0.127
  104    HB2  GLU  12           HB2      GLU  12 -12.132  -0.226   2.691
  105    HB3  GLU  12           HB1      GLU  12 -11.506   1.205   1.889
  106    HG2  GLU  12           HG2      GLU  12 -13.882   1.186   1.703
  107    HG3  GLU  12           HG1      GLU  12 -13.180   0.898   0.114
  108    H    PHE  13           HN       PHE  13  -9.439   1.174   0.277
  109    HA   PHE  13           HA       PHE  13  -7.059   0.027   1.366
  110    HB2  PHE  13           HB2      PHE  13  -5.936   1.893   0.476
  111    HB3  PHE  13           HB1      PHE  13  -7.266   1.624  -0.622
  112    HD1  PHE  13           HD2      PHE  13  -9.130   3.192  -0.759
  113    HD2  PHE  13           HD1      PHE  13  -5.843   3.851   1.881
  114    HE1  PHE  13           HE2      PHE  13  -9.843   5.524  -0.450
  115    HE2  PHE  13           HE1      PHE  13  -6.545   6.194   2.173
  116    HZ   PHE  13           HZ       PHE  13  -8.553   7.029   1.017
  117    H    LYS  14           HN       LYS  14  -5.783   0.911   3.042
  118    HA   LYS  14           HA       LYS  14  -7.208   2.625   4.948
  119    HB2  LYS  14           HB2      LYS  14  -7.333   0.263   5.673
  120    HB3  LYS  14           HB1      LYS  14  -5.580   0.170   5.632
  121    HG2  LYS  14           HG2      LYS  14  -5.402   1.751   7.426
  122    HG3  LYS  14           HG1      LYS  14  -7.145   2.028   7.407
  123    HD2  LYS  14           HD2      LYS  14  -7.493  -0.339   8.014
  124    HD3  LYS  14           HD1      LYS  14  -5.744  -0.555   8.097
  125    HE2  LYS  14           HE2      LYS  14  -7.349   1.368   9.773
  126    HE3  LYS  14           HE1      LYS  14  -6.760  -0.201  10.311
  127    HZ1  LYS  14           HZ1      LYS  14  -5.351   1.687  11.002
  128    HZ2  LYS  14           HZ2      LYS  14  -5.008   2.003   9.379
  129    HZ3  LYS  14           HZ3      LYS  14  -4.518   0.545  10.077
  130    H    TYR  15           HN       TYR  15  -4.324   1.651   3.364
  131    HA   TYR  15           HA       TYR  15  -2.816   3.787   4.715
  132    HB2  TYR  15           HB2      TYR  15  -1.784   1.179   3.582
  133    HB3  TYR  15           HB1      TYR  15  -0.767   2.476   4.199
  134    HD1  TYR  15           HD1      TYR  15  -3.554   0.249   5.243
  135    HD2  TYR  15           HD2      TYR  15  -0.084   2.402   6.405
  136    HE1  TYR  15           HE1      TYR  15  -3.700  -0.742   7.485
  137    HE2  TYR  15           HE2      TYR  15  -0.220   1.420   8.655
  138    HH   TYR  15           HH       TYR  15  -1.761   0.376  10.117
  139    H    LYS  16           HN       LYS  16  -0.761   4.188   3.190
  140    HA   LYS  16           HA       LYS  16  -1.276   4.142   0.383
  141    HB2  LYS  16           HB2      LYS  16  -2.784   5.987   1.332
  142    HB3  LYS  16           HB1      LYS  16  -1.304   6.862   1.688
  143    HG2  LYS  16           HG2      LYS  16  -0.769   7.078  -0.606
  144    HG3  LYS  16           HG1      LYS  16  -2.013   5.912  -1.074
  145    HD2  LYS  16           HD2      LYS  16  -3.692   7.503  -0.039
  146    HD3  LYS  16           HD1      LYS  16  -2.386   8.687   0.030
  147    HE2  LYS  16           HE2      LYS  16  -3.282   7.294  -2.480
  148    HE3  LYS  16           HE1      LYS  16  -3.862   8.875  -1.970
  149    HZ1  LYS  16           HZ1      LYS  16  -1.035   8.189  -2.541
  150    HZ2  LYS  16           HZ2      LYS  16  -1.605   9.709  -2.081
  151    HZ3  LYS  16           HZ3      LYS  16  -2.062   9.050  -3.570
  152    H    CYS  17           HN       CYS  17   0.772   3.352   0.137
  153    HA   CYS  17           HA       CYS  17   3.036   3.995   1.547
  154    HB2  CYS  17           HB2      CYS  17   3.027   2.130  -0.014
  155    HB3  CYS  17           HB1      CYS  17   2.885   3.239  -1.377
  156    HA   PRO  18           HA       PRO  18   3.815   8.245   0.536
  157    HB2  PRO  18           HB2      PRO  18   6.385   8.289   1.517
  158    HB3  PRO  18           HB1      PRO  18   4.935   8.464   2.512
  159    HG2  PRO  18           HG2      PRO  18   6.627   6.055   2.021
  160    HG3  PRO  18           HG1      PRO  18   5.882   6.614   3.531
  161    HD2  PRO  18           HD2      PRO  18   4.833   4.604   2.088
  162    HD3  PRO  18           HD1      PRO  18   3.808   5.755   2.969
  163    H    ARG  19           HN       ARG  19   5.611   5.535  -0.623
  164    HA   ARG  19           HA       ARG  19   7.002   7.223  -2.582
  165    HB2  ARG  19           HB2      ARG  19   7.476   4.406  -1.646
  166    HB3  ARG  19           HB1      ARG  19   8.200   5.017  -3.124
  167    HG2  ARG  19           HG2      ARG  19   9.166   6.890  -1.709
  168    HG3  ARG  19           HG1      ARG  19   8.664   5.944  -0.305
  169    HD2  ARG  19           HD2      ARG  19  11.032   5.567  -0.946
  170    HD3  ARG  19           HD1      ARG  19  10.054   4.098  -0.986
  171    HE   ARG  19           HE       ARG  19   9.895   4.857  -3.523
  172   HH11  ARG  19          HH11      ARG  19  12.727   4.728  -1.441
  173   HH12  ARG  19          HH12      ARG  19  13.803   4.388  -2.755
  174   HH21  ARG  19          HH21      ARG  19  11.325   4.404  -5.213
  175   HH22  ARG  19          HH22      ARG  19  13.017   4.209  -4.884
  176    H    CYS  20           HN       CYS  20   4.922   4.345  -2.377
  177    HA   CYS  20           HA       CYS  20   4.818   4.163  -5.269
  178    HB2  CYS  20           HB2      CYS  20   3.401   2.528  -3.164
  179    HB3  CYS  20           HB1      CYS  20   3.394   2.186  -4.884
  180    H    LEU  21           HN       LEU  21   2.992   5.521  -2.743
  181    HA   LEU  21           HA       LEU  21   0.965   6.487  -2.543
  182    HB2  LEU  21           HB2      LEU  21   0.925   6.543  -5.560
  183    HB3  LEU  21           HB1      LEU  21  -0.105   7.474  -4.490
  184    HG   LEU  21           HG       LEU  21   2.767   7.882  -5.180
  185   HD11  LEU  21          HD11      LEU  21   0.401   9.702  -4.798
  186   HD12  LEU  21          HD12      LEU  21   1.057   9.143  -6.339
  187   HD13  LEU  21          HD13      LEU  21   2.012  10.209  -5.308
  188   HD21  LEU  21          HD21      LEU  21   2.868   7.705  -2.785
  189   HD22  LEU  21          HD22      LEU  21   1.467   8.765  -2.609
  190   HD23  LEU  21          HD23      LEU  21   2.983   9.407  -3.241
  191    H    VAL  22           HN       VAL  22   1.404   3.521  -3.280
  192    HA   VAL  22           HA       VAL  22  -1.098   2.692  -4.344
  193    HB   VAL  22           HB       VAL  22   0.941   1.317  -4.627
  194   HG11  VAL  22          HG11      VAL  22   0.670   0.628  -1.710
  195   HG12  VAL  22          HG12      VAL  22   1.897   1.699  -2.372
  196   HG13  VAL  22          HG13      VAL  22   1.868   0.001  -2.845
  197   HG21  VAL  22          HG21      VAL  22  -0.098  -0.860  -4.122
  198   HG22  VAL  22          HG22      VAL  22  -1.209   0.271  -4.894
  199   HG23  VAL  22          HG23      VAL  22  -1.319  -0.028  -3.159
  200    H    GLN  23           HN       GLN  23  -2.900   2.618  -3.330
  201    HA   GLN  23           HA       GLN  23  -3.057   3.047  -0.490
  202    HB2  GLN  23           HB2      GLN  23  -5.270   2.520  -2.486
  203    HB3  GLN  23           HB1      GLN  23  -5.459   3.163  -0.860
  204    HG2  GLN  23           HG2      GLN  23  -4.128   5.124  -1.510
  205    HG3  GLN  23           HG1      GLN  23  -4.059   4.500  -3.157
  206   HE21  GLN  23          HE21      GLN  23  -6.044   4.368  -4.348
  207   HE22  GLN  23          HE22      GLN  23  -7.382   5.387  -3.940
  208    H    THR  24           HN       THR  24  -2.377   1.348   0.608
  209    HA   THR  24           HA       THR  24  -3.159  -1.344  -0.157
  210    HB   THR  24           HB       THR  24  -1.665  -1.939   1.848
  211    HG1  THR  24           HG1      THR  24  -0.553  -0.347   2.783
  212   HG21  THR  24          HG21      THR  24  -0.925  -2.189  -0.454
  213   HG22  THR  24          HG22      THR  24   0.392  -1.577   0.545
  214   HG23  THR  24          HG23      THR  24  -0.489  -0.482  -0.520
  215    H    CYS  25           HN       CYS  25  -4.102  -2.803   1.331
  216    HA   CYS  25           HA       CYS  25  -6.210  -1.552   2.852
  217    HB2  CYS  25           HB2      CYS  25  -7.207  -3.750   2.924
  218    HB3  CYS  25           HB1      CYS  25  -6.591  -3.486   1.309
  219    H    SER  26           HN       SER  26  -3.129  -2.907   3.464
  220    HA   SER  26           HA       SER  26  -3.393  -2.460   6.283
  221    HB2  SER  26           HB2      SER  26  -2.822  -4.800   6.938
  222    HB3  SER  26           HB1      SER  26  -4.408  -4.673   6.187
  223    HG   SER  26           HG       SER  26  -3.692  -6.153   4.892
  224    H    LEU  27           HN       LEU  27  -1.292  -3.331   7.408
  225    HA   LEU  27           HA       LEU  27   0.988  -2.360   6.023
  226    HB2  LEU  27           HB2      LEU  27   0.695  -3.992   8.541
  227    HB3  LEU  27           HB1      LEU  27   2.242  -3.438   7.937
  228    HG   LEU  27           HG       LEU  27  -0.029  -1.602   8.698
  229   HD11  LEU  27          HD11      LEU  27   0.811  -2.835  10.636
  230   HD12  LEU  27          HD12      LEU  27   1.253  -1.131  10.709
  231   HD13  LEU  27          HD13      LEU  27   2.454  -2.333  10.240
  232   HD21  LEU  27          HD21      LEU  27   2.875  -1.080   8.065
  233   HD22  LEU  27          HD22      LEU  27   1.721   0.122   8.638
  234   HD23  LEU  27          HD23      LEU  27   1.492  -0.637   7.064
  235    H    GLU  28           HN       GLU  28  -0.610  -5.386   6.212
  236    HA   GLU  28           HA       GLU  28   1.452  -7.165   5.546
  237    HB2  GLU  28           HB2      GLU  28  -0.912  -7.737   6.272
  238    HB3  GLU  28           HB1      GLU  28  -1.424  -7.360   4.634
  239    HG2  GLU  28           HG2      GLU  28  -1.194  -9.698   4.742
  240    HG3  GLU  28           HG1      GLU  28   0.200  -9.105   3.841
  241    H    CYS  29           HN       CYS  29  -0.698  -5.189   3.565
  242    HA   CYS  29           HA       CYS  29   0.455  -6.195   1.121
  243    HB2  CYS  29           HB2      CYS  29  -1.768  -4.335   1.815
  244    HB3  CYS  29           HB1      CYS  29  -1.105  -4.307   0.188
  245    H    SER  30           HN       SER  30   0.909  -3.434   3.206
  246    HA   SER  30           HA       SER  30   2.222  -1.849   1.238
  247    HB2  SER  30           HB2      SER  30   3.042  -0.508   3.167
  248    HB3  SER  30           HB1      SER  30   1.297  -0.759   3.192
  249    HG   SER  30           HG       SER  30   2.897  -1.222   5.134
  250    H    LYS  31           HN       LYS  31   3.285  -4.305   3.538
  251    HA   LYS  31           HA       LYS  31   6.053  -3.894   2.804
  252    HB2  LYS  31           HB2      LYS  31   6.629  -5.514   4.396
  253    HB3  LYS  31           HB1      LYS  31   5.242  -4.702   5.101
  254    HG2  LYS  31           HG2      LYS  31   3.794  -6.518   4.479
  255    HG3  LYS  31           HG1      LYS  31   5.108  -7.309   3.603
  256    HD2  LYS  31           HD2      LYS  31   6.364  -7.382   5.786
  257    HD3  LYS  31           HD1      LYS  31   4.875  -6.857   6.569
  258    HE2  LYS  31           HE2      LYS  31   5.081  -9.263   6.710
  259    HE3  LYS  31           HE1      LYS  31   3.725  -8.834   5.672
  260    HZ1  LYS  31           HZ1      LYS  31   5.074  -9.290   3.743
  261    HZ2  LYS  31           HZ2      LYS  31   5.075 -10.638   4.756
  262    HZ3  LYS  31           HZ3      LYS  31   6.420  -9.620   4.708
  263    H    LYS  32           HN       LYS  32   3.409  -5.523   1.553
  264    HA   LYS  32           HA       LYS  32   4.632  -7.854   0.538
  265    HB2  LYS  32           HB2      LYS  32   2.130  -7.278   0.798
  266    HB3  LYS  32           HB1      LYS  32   2.301  -6.498  -0.770
  267    HG2  LYS  32           HG2      LYS  32   2.761  -8.514  -1.853
  268    HG3  LYS  32           HG1      LYS  32   3.129  -9.346  -0.339
  269    HD2  LYS  32           HD2      LYS  32   0.762  -9.069   0.329
  270    HD3  LYS  32           HD1      LYS  32   0.427  -8.373  -1.256
  271    HE2  LYS  32           HE2      LYS  32   1.501 -11.144  -0.749
  272    HE3  LYS  32           HE1      LYS  32  -0.173 -10.756  -1.136
  273    HZ1  LYS  32           HZ1      LYS  32   0.532  -9.909  -3.266
  274    HZ2  LYS  32           HZ2      LYS  32   1.078 -11.499  -3.076
  275    HZ3  LYS  32           HZ3      LYS  32   2.154 -10.210  -2.896
  276    H    HIS  33           HN       HIS  33   4.268  -4.569  -0.717
  277    HA   HIS  33           HA       HIS  33   5.550  -5.311  -3.198
  278    HB2  HIS  33           HB2      HIS  33   5.303  -3.027  -3.880
  279    HB3  HIS  33           HB1      HIS  33   3.811  -3.524  -3.099
  280    HD1  HIS  33           HD1      HIS  33   2.888  -1.678  -1.711
  281    HD2  HIS  33           HD2      HIS  33   7.027  -1.665  -1.755
  282    HE1  HIS  33           HE1      HIS  33   3.608   0.326  -0.348
  283    H    LYS  34           HN       LYS  34   6.597  -4.507  -0.076
  284    HA   LYS  34           HA       LYS  34   9.062  -3.219  -0.828
  285    HB2  LYS  34           HB2      LYS  34   8.317  -4.483   1.814
  286    HB3  LYS  34           HB1      LYS  34   9.662  -3.390   1.528
  287    HG2  LYS  34           HG2      LYS  34   8.126  -1.594   1.016
  288    HG3  LYS  34           HG1      LYS  34   6.756  -2.686   1.233
  289    HD2  LYS  34           HD2      LYS  34   7.436  -3.030   3.581
  290    HD3  LYS  34           HD1      LYS  34   8.763  -1.896   3.343
  291    HE2  LYS  34           HE2      LYS  34   5.911  -1.134   2.807
  292    HE3  LYS  34           HE1      LYS  34   6.627  -0.999   4.415
  293    HZ1  LYS  34           HZ1      LYS  34   7.816   0.248   2.009
  294    HZ2  LYS  34           HZ2      LYS  34   8.203   0.538   3.632
  295    HZ3  LYS  34           HZ3      LYS  34   6.715   1.047   3.016
  296    H    THR  35           HN       THR  35   7.946  -6.440  -0.354
  297    HA   THR  35           HA       THR  35  10.617  -7.535  -0.059
  298    HB   THR  35           HB       THR  35   8.665  -8.419   1.237
  299    HG1  THR  35           HG1      THR  35  10.219 -10.081  -0.448
  300   HG21  THR  35          HG21      THR  35   7.810  -9.478  -1.456
  301   HG22  THR  35          HG22      THR  35   6.957  -8.274  -0.488
  302   HG23  THR  35          HG23      THR  35   7.100  -9.933   0.093
  303    H    ARG  36           HN       ARG  36   9.108  -6.344  -2.612
  304    HA   ARG  36           HA       ARG  36  10.338  -8.294  -4.412
  305    HB2  ARG  36           HB2      ARG  36   8.392  -8.002  -5.991
  306    HB3  ARG  36           HB1      ARG  36   8.070  -8.939  -4.542
  307    HG2  ARG  36           HG2      ARG  36   7.014  -6.973  -3.520
  308    HG3  ARG  36           HG1      ARG  36   7.299  -6.068  -5.009
  309    HD2  ARG  36           HD2      ARG  36   5.007  -6.937  -4.895
  310    HD3  ARG  36           HD1      ARG  36   5.903  -7.626  -6.248
  311    HE   ARG  36           HE       ARG  36   5.918  -9.202  -3.817
  312   HH11  ARG  36          HH11      ARG  36   4.344  -8.584  -6.880
  313   HH12  ARG  36          HH12      ARG  36   3.634 -10.161  -6.979
  314   HH21  ARG  36          HH21      ARG  36   4.993 -11.289  -3.949
  315   HH22  ARG  36          HH22      ARG  36   4.006 -11.705  -5.315
  316    H    ASP  37           HN       ASP  37   9.150  -5.004  -3.927
  317    HA   ASP  37           HA       ASP  37  10.764  -4.162  -6.239
  318    HB2  ASP  37           HB2      ASP  37   8.494  -2.797  -4.793
  319    HB3  ASP  37           HB1      ASP  37   9.519  -1.964  -5.956
  320    H    ASN  38           HN       ASN  38  11.021  -4.469  -2.980
  321    HA   ASN  38           HA       ASN  38  12.196  -3.500  -1.294
  322    HB2  ASN  38           HB2      ASN  38  14.026  -4.226  -2.824
  323    HB3  ASN  38           HB1      ASN  38  14.025  -2.618  -3.537
  324   HD21  ASN  38          HD21      ASN  38  14.784  -4.506  -0.718
  325   HD22  ASN  38          HD22      ASN  38  15.781  -3.321   0.052
  326    H    CYS  39           HN       CYS  39  10.605  -1.968  -0.744
  327    HA   CYS  39           HA       CYS  39  11.213   0.782  -1.569
  328    HB2  CYS  39           HB2      CYS  39   9.324   0.138  -2.905
  329    HB3  CYS  39           HB1      CYS  39   8.511  -0.558  -1.511
  330    H    SER  40           HN       SER  40  11.781   1.835   0.228
  331    HA   SER  40           HA       SER  40  10.669   1.034   2.789
  332    HB2  SER  40           HB2      SER  40  13.135   1.539   2.473
  333    HB3  SER  40           HB1      SER  40  12.686   3.228   2.249
  334    HG   SER  40           HG       SER  40  12.575   1.632   4.551
  335    H    GLY  41           HN       GLY  41   9.234   2.258   3.959
  336    HA2  GLY  41           HA2      GLY  41   7.849   4.286   2.394
  337    HA3  GLY  41           HA1      GLY  41   7.265   3.540   3.873
  338    H    GLN  42           HN       GLN  42  10.109   5.433   2.924
  339    HA   GLN  42           HA       GLN  42   9.653   7.149   5.278
  340    HB2  GLN  42           HB2      GLN  42  12.221   6.441   3.850
  341    HB3  GLN  42           HB1      GLN  42  12.100   7.646   5.126
  342    HG2  GLN  42           HG2      GLN  42  11.404   5.948   6.703
  343    HG3  GLN  42           HG1      GLN  42  11.422   4.729   5.429
  344   HE21  GLN  42          HE21      GLN  42  13.363   3.939   4.688
  345   HE22  GLN  42          HE22      GLN  42  14.861   4.224   5.506
  346    H    THR  43           HN       THR  43   9.424   7.018   2.009
  347    HA   THR  43           HA       THR  43   8.913   8.534   0.408
  348    HB   THR  43           HB       THR  43   9.327  10.830   2.299
  349    HG1  THR  43           HG1      THR  43   7.156  10.486   2.989
  350   HG21  THR  43          HG21      THR  43   7.373  10.316   0.053
  351   HG22  THR  43          HG22      THR  43   8.830  11.303  -0.058
  352   HG23  THR  43          HG23      THR  43   7.502  11.805   0.990
  353    H    HIS  44           HN       HIS  44  11.530   9.660   2.526
  354    HA   HIS  44           HA       HIS  44  12.959  11.155   0.646
  355    HB2  HIS  44           HB2      HIS  44  14.027   9.588   3.005
  356    HB3  HIS  44           HB1      HIS  44  14.898  10.851   2.145
  357    HD1  HIS  44           HD1      HIS  44  12.790  10.333   5.027
  358    HD2  HIS  44           HD2      HIS  44  13.485  13.460   2.372
  359    HE1  HIS  44           HE1      HIS  44  11.935  12.398   6.172
  360    HE2  HIS  44           HE2      HIS  44  12.523  14.292   4.623
  361    H    ASP  45           HN       ASP  45  13.852   7.923   1.834
  362    HA   ASP  45           HA       ASP  45  14.316   7.014  -0.873
  363    HB2  ASP  45           HB2      ASP  45  16.601   6.314  -0.519
  364    HB3  ASP  45           HB1      ASP  45  16.493   8.035  -0.178
  Start of MODEL    9
    1    H1   GLY  -2           HT1      GLY  -2 -24.139   9.294  -1.676
    2    H2   GLY  -2           HT2      GLY  -2 -23.886  10.257  -0.316
    3    H3   GLY  -2           HT3      GLY  -2 -24.944   8.944  -0.234
    4    HA2  GLY  -2           HA1      GLY  -2 -22.824   8.457   0.839
    5    HA3  GLY  -2           HA2      GLY  -2 -23.156   7.392  -0.520
    6    HA   PRO  -1           HA       PRO  -1 -19.070  10.201  -0.650
    7    HB2  PRO  -1           HB2      PRO  -1 -17.925   7.537   0.075
    8    HB3  PRO  -1           HB1      PRO  -1 -17.352   9.155   0.496
    9    HG2  PRO  -1           HG2      PRO  -1 -18.652   7.685   2.283
   10    HG3  PRO  -1           HG1      PRO  -1 -18.956   9.427   2.156
   11    HD2  PRO  -1           HD2      PRO  -1 -20.638   7.143   1.251
   12    HD3  PRO  -1           HD1      PRO  -1 -21.124   8.730   1.874
   13    H    HIS   0           HN       HIS   0 -19.099   6.700  -1.371
   14    HA   HIS   0           HA       HIS   0 -18.467   5.520  -3.203
   15    HB2  HIS   0           HB2      HIS   0 -19.785   7.880  -4.554
   16    HB3  HIS   0           HB1      HIS   0 -19.242   6.449  -5.423
   17    HD1  HIS   0           HD1      HIS   0 -22.171   7.815  -3.926
   18    HD2  HIS   0           HD2      HIS   0 -20.538   4.000  -4.215
   19    HE1  HIS   0           HE1      HIS   0 -24.070   6.228  -3.479
   20    HE2  HIS   0           HE2      HIS   0 -23.086   3.931  -3.768
   21    H    MET   1           HN       MET   1 -16.383   6.623  -2.116
   22    HA   MET   1           HA       MET   1 -14.718   7.436  -4.377
   23    HB2  MET   1           HB2      MET   1 -13.598   9.133  -2.937
   24    HB3  MET   1           HB1      MET   1 -15.260   9.533  -3.342
   25    HG2  MET   1           HG2      MET   1 -15.979   8.733  -1.139
   26    HG3  MET   1           HG1      MET   1 -14.304   8.374  -0.732
   27    HE1  MET   1           HE1      MET   1 -12.701  11.948  -0.670
   28    HE2  MET   1           HE2      MET   1 -12.780  10.872  -2.062
   29    HE3  MET   1           HE3      MET   1 -12.422  10.219  -0.464
   30    H    ALA   2           HN       ALA   2 -15.208   5.085  -2.523
   31    HA   ALA   2           HA       ALA   2 -12.638   4.813  -1.199
   32    HB1  ALA   2           HB1      ALA   2 -14.936   2.874  -1.371
   33    HB2  ALA   2           HB2      ALA   2 -14.624   3.995  -0.045
   34    HB3  ALA   2           HB3      ALA   2 -13.490   2.687  -0.379
   35    H    VAL   3           HN       VAL   3 -10.984   3.751  -1.966
   36    HA   VAL   3           HA       VAL   3 -11.260   2.409  -4.561
   37    HB   VAL   3           HB       VAL   3  -8.884   3.743  -3.253
   38   HG11  VAL   3          HG11      VAL   3  -7.687   3.287  -5.367
   39   HG12  VAL   3          HG12      VAL   3  -9.031   2.263  -5.874
   40   HG13  VAL   3          HG13      VAL   3  -8.072   1.826  -4.458
   41   HG21  VAL   3          HG21      VAL   3 -10.552   5.257  -4.184
   42   HG22  VAL   3          HG22      VAL   3 -10.450   4.424  -5.735
   43   HG23  VAL   3          HG23      VAL   3  -9.054   5.306  -5.114
   44    H    LEU   4           HN       LEU   4 -10.533   0.351  -4.832
   45    HA   LEU   4           HA       LEU   4 -10.173  -1.275  -2.519
   46    HB2  LEU   4           HB2      LEU   4  -9.902  -1.833  -5.466
   47    HB3  LEU   4           HB1      LEU   4  -9.631  -3.057  -4.242
   48    HG   LEU   4           HG       LEU   4 -12.232  -1.582  -4.663
   49   HD11  LEU   4          HD11      LEU   4 -11.426  -4.394  -5.383
   50   HD12  LEU   4          HD12      LEU   4 -11.714  -3.074  -6.516
   51   HD13  LEU   4          HD13      LEU   4 -13.041  -3.706  -5.545
   52   HD21  LEU   4          HD21      LEU   4 -11.485  -3.882  -2.855
   53   HD22  LEU   4          HD22      LEU   4 -13.131  -3.321  -3.153
   54   HD23  LEU   4          HD23      LEU   4 -11.970  -2.259  -2.358
   55    H    CYS   5           HN       CYS   5  -8.408  -2.290  -1.783
   56    HA   CYS   5           HA       CYS   5  -5.957  -1.138  -1.633
   57    HB2  CYS   5           HB2      CYS   5  -6.741  -3.000  -0.258
   58    HB3  CYS   5           HB1      CYS   5  -6.601  -4.086  -1.627
   59    H    GLY   6           HN       GLY   6  -4.343  -0.762  -2.978
   60    HA2  GLY   6           HA2      GLY   6  -4.420  -1.421  -5.696
   61    HA3  GLY   6           HA1      GLY   6  -3.029  -0.773  -4.849
   62    H    VAL   7           HN       VAL   7  -3.088  -3.194  -3.034
   63    HA   VAL   7           HA       VAL   7  -1.422  -4.817  -4.766
   64    HB   VAL   7           HB       VAL   7  -1.915  -4.978  -1.789
   65   HG11  VAL   7          HG11      VAL   7  -1.439  -7.199  -2.688
   66   HG12  VAL   7          HG12      VAL   7  -0.090  -6.602  -1.719
   67   HG13  VAL   7          HG13      VAL   7   0.007  -6.576  -3.481
   68   HG21  VAL   7          HG21      VAL   7   0.410  -4.193  -1.632
   69   HG22  VAL   7          HG22      VAL   7  -0.624  -3.032  -2.469
   70   HG23  VAL   7          HG23      VAL   7   0.472  -4.060  -3.391
   71    H    CYS   8           HN       CYS   8  -3.978  -5.642  -2.381
   72    HA   CYS   8           HA       CYS   8  -4.216  -8.217  -3.727
   73    HB2  CYS   8           HB2      CYS   8  -5.375  -8.996  -1.763
   74    HB3  CYS   8           HB1      CYS   8  -3.925  -8.137  -1.260
   75    H    GLY   9           HN       GLY   9  -6.064  -5.353  -3.094
   76    HA2  GLY   9           HA2      GLY   9  -7.920  -4.492  -4.091
   77    HA3  GLY   9           HA1      GLY   9  -7.673  -5.677  -5.353
   78    H    ILE  10           HN       ILE  10  -8.389  -6.491  -1.969
   79    HA   ILE  10           HA       ILE  10 -10.902  -7.625  -3.000
   80    HB   ILE  10           HB       ILE  10 -10.786  -9.087  -0.892
   81   HG12  ILE  10          HG12      ILE  10  -8.343  -9.571  -0.288
   82   HG13  ILE  10          HG11      ILE  10  -7.969  -8.020  -1.018
   83   HG21  ILE  10          HG21      ILE  10  -8.820  -9.453  -3.146
   84   HG22  ILE  10          HG22      ILE  10 -10.514  -9.944  -3.134
   85   HG23  ILE  10          HG23      ILE  10  -9.363 -10.723  -2.049
   86   HD11  ILE  10          HD11      ILE  10  -9.769  -8.491   1.341
   87   HD12  ILE  10          HD12      ILE  10  -9.481  -6.930   0.572
   88   HD13  ILE  10          HD13      ILE  10  -8.152  -7.782   1.363
   89    H    LYS  11           HN       LYS  11  -9.664  -5.260  -0.924
   90    HA   LYS  11           HA       LYS  11 -12.355  -4.560  -0.129
   91    HB2  LYS  11           HB2      LYS  11 -11.915  -4.369   2.222
   92    HB3  LYS  11           HB1      LYS  11 -11.492  -6.003   1.736
   93    HG2  LYS  11           HG2      LYS  11  -9.137  -5.429   1.739
   94    HG3  LYS  11           HG1      LYS  11  -9.524  -3.753   2.119
   95    HD2  LYS  11           HD2      LYS  11 -10.180  -6.117   3.875
   96    HD3  LYS  11           HD1      LYS  11  -8.788  -5.055   4.090
   97    HE2  LYS  11           HE2      LYS  11 -10.296  -3.148   4.394
   98    HE3  LYS  11           HE1      LYS  11 -11.684  -4.212   4.183
   99    HZ1  LYS  11           HZ1      LYS  11  -9.692  -4.324   6.377
  100    HZ2  LYS  11           HZ2      LYS  11 -10.927  -5.454   6.145
  101    HZ3  LYS  11           HZ3      LYS  11 -11.311  -3.849   6.500
  102    H    GLU  12           HN       GLU  12 -12.231  -2.410   1.153
  103    HA   GLU  12           HA       GLU  12 -11.043  -0.482  -0.463
  104    HB2  GLU  12           HB2      GLU  12 -12.001  -0.267   2.391
  105    HB3  GLU  12           HB1      GLU  12 -11.540   1.108   1.399
  106    HG2  GLU  12           HG2      GLU  12 -13.818   1.090   1.182
  107    HG3  GLU  12           HG1      GLU  12 -13.298   0.207  -0.250
  108    H    PHE  13           HN       PHE  13  -9.531   1.169   0.202
  109    HA   PHE  13           HA       PHE  13  -7.127  -0.052   1.277
  110    HB2  PHE  13           HB2      PHE  13  -5.936   1.742   0.307
  111    HB3  PHE  13           HB1      PHE  13  -7.218   1.387  -0.839
  112    HD1  PHE  13           HD1      PHE  13  -9.064   2.934  -1.163
  113    HD2  PHE  13           HD2      PHE  13  -5.904   3.795   1.556
  114    HE1  PHE  13           HE1      PHE  13  -9.764   5.292  -1.105
  115    HE2  PHE  13           HE2      PHE  13  -6.599   6.157   1.618
  116    HZ   PHE  13           HZ       PHE  13  -8.530   6.906   0.288
  117    H    LYS  14           HN       LYS  14  -5.862   0.952   2.915
  118    HA   LYS  14           HA       LYS  14  -7.297   2.812   4.670
  119    HB2  LYS  14           HB2      LYS  14  -7.629   0.565   5.561
  120    HB3  LYS  14           HB1      LYS  14  -5.902   0.261   5.500
  121    HG2  LYS  14           HG2      LYS  14  -5.486   1.834   7.240
  122    HG3  LYS  14           HG1      LYS  14  -7.162   2.392   7.209
  123    HD2  LYS  14           HD2      LYS  14  -7.871   0.112   7.887
  124    HD3  LYS  14           HD1      LYS  14  -6.172  -0.341   8.024
  125    HE2  LYS  14           HE2      LYS  14  -7.088   0.229  10.206
  126    HE3  LYS  14           HE1      LYS  14  -5.853   1.392   9.727
  127    HZ1  LYS  14           HZ1      LYS  14  -7.566   2.942   9.100
  128    HZ2  LYS  14           HZ2      LYS  14  -7.830   2.445  10.694
  129    HZ3  LYS  14           HZ3      LYS  14  -8.780   1.816   9.445
  130    H    TYR  15           HN       TYR  15  -4.465   1.775   3.121
  131    HA   TYR  15           HA       TYR  15  -2.865   3.806   4.533
  132    HB2  TYR  15           HB2      TYR  15  -1.965   1.117   3.473
  133    HB3  TYR  15           HB1      TYR  15  -0.869   2.375   4.028
  134    HD1  TYR  15           HD1      TYR  15  -3.768   0.345   5.207
  135    HD2  TYR  15           HD2      TYR  15  -0.156   2.341   6.215
  136    HE1  TYR  15           HE1      TYR  15  -3.918  -0.555   7.487
  137    HE2  TYR  15           HE2      TYR  15  -0.292   1.449   8.498
  138    HH   TYR  15           HH       TYR  15  -1.833   0.552  10.029
  139    H    LYS  16           HN       LYS  16  -0.783   4.162   3.077
  140    HA   LYS  16           HA       LYS  16  -1.059   3.888   0.267
  141    HB2  LYS  16           HB2      LYS  16  -2.691   5.733   0.632
  142    HB3  LYS  16           HB1      LYS  16  -1.413   6.686   1.371
  143    HG2  LYS  16           HG2      LYS  16  -0.207   6.788  -0.715
  144    HG3  LYS  16           HG1      LYS  16  -1.359   5.686  -1.470
  145    HD2  LYS  16           HD2      LYS  16  -1.805   7.993  -2.116
  146    HD3  LYS  16           HD1      LYS  16  -3.139   7.337  -1.167
  147    HE2  LYS  16           HE2      LYS  16  -2.643   9.599  -0.464
  148    HE3  LYS  16           HE1      LYS  16  -2.254   8.465   0.825
  149    HZ1  LYS  16           HZ1      LYS  16  -0.294   9.669  -1.049
  150    HZ2  LYS  16           HZ2      LYS  16   0.071   8.616   0.222
  151    HZ3  LYS  16           HZ3      LYS  16  -0.542  10.154   0.550
  152    H    CYS  17           HN       CYS  17   0.994   3.203   0.173
  153    HA   CYS  17           HA       CYS  17   3.122   3.936   1.747
  154    HB2  CYS  17           HB2      CYS  17   3.228   2.004   0.291
  155    HB3  CYS  17           HB1      CYS  17   3.181   3.034  -1.138
  156    HA   PRO  18           HA       PRO  18   3.987   8.153   0.633
  157    HB2  PRO  18           HB2      PRO  18   6.556   8.157   1.673
  158    HB3  PRO  18           HB1      PRO  18   5.085   8.476   2.598
  159    HG2  PRO  18           HG2      PRO  18   6.690   5.975   2.376
  160    HG3  PRO  18           HG1      PRO  18   5.853   6.654   3.783
  161    HD2  PRO  18           HD2      PRO  18   4.859   4.580   2.389
  162    HD3  PRO  18           HD1      PRO  18   3.808   5.802   3.136
  163    H    ARG  19           HN       ARG  19   5.860   5.407  -0.344
  164    HA   ARG  19           HA       ARG  19   7.365   7.024  -2.271
  165    HB2  ARG  19           HB2      ARG  19   7.661   4.176  -1.341
  166    HB3  ARG  19           HB1      ARG  19   8.526   4.807  -2.733
  167    HG2  ARG  19           HG2      ARG  19   9.509   6.547  -1.244
  168    HG3  ARG  19           HG1      ARG  19   8.754   5.720   0.122
  169    HD2  ARG  19           HD2      ARG  19  11.180   5.139  -0.369
  170    HD3  ARG  19           HD1      ARG  19  10.058   3.793  -0.178
  171    HE   ARG  19           HE       ARG  19   9.992   3.748  -2.682
  172   HH11  ARG  19          HH11      ARG  19  12.789   5.021  -0.995
  173   HH12  ARG  19          HH12      ARG  19  13.882   4.649  -2.288
  174   HH21  ARG  19          HH21      ARG  19  11.429   3.243  -4.358
  175   HH22  ARG  19          HH22      ARG  19  13.112   3.632  -4.196
  176    H    CYS  20           HN       CYS  20   5.177   4.243  -2.127
  177    HA   CYS  20           HA       CYS  20   5.272   3.992  -5.015
  178    HB2  CYS  20           HB2      CYS  20   3.837   2.307  -2.961
  179    HB3  CYS  20           HB1      CYS  20   3.996   1.922  -4.670
  180    H    LEU  21           HN       LEU  21   3.259   5.308  -2.611
  181    HA   LEU  21           HA       LEU  21   1.244   6.301  -2.570
  182    HB2  LEU  21           HB2      LEU  21   1.465   6.379  -5.576
  183    HB3  LEU  21           HB1      LEU  21   0.377   7.335  -4.590
  184    HG   LEU  21           HG       LEU  21   3.324   7.639  -4.989
  185   HD11  LEU  21          HD11      LEU  21   1.020   9.573  -4.893
  186   HD12  LEU  21          HD12      LEU  21   1.786   8.937  -6.351
  187   HD13  LEU  21          HD13      LEU  21   2.697   9.979  -5.258
  188   HD21  LEU  21          HD21      LEU  21   3.151   7.505  -2.597
  189   HD22  LEU  21          HD22      LEU  21   1.780   8.619  -2.591
  190   HD23  LEU  21          HD23      LEU  21   3.381   9.191  -3.063
  191    H    VAL  22           HN       VAL  22   1.627   3.310  -3.295
  192    HA   VAL  22           HA       VAL  22  -0.903   2.636  -4.444
  193    HB   VAL  22           HB       VAL  22   1.029   1.151  -4.789
  194   HG11  VAL  22          HG11      VAL  22   1.909  -0.245  -3.014
  195   HG12  VAL  22          HG12      VAL  22   0.837   0.529  -1.848
  196   HG13  VAL  22          HG13      VAL  22   2.124   1.459  -2.612
  197   HG21  VAL  22          HG21      VAL  22  -0.086  -0.972  -4.283
  198   HG22  VAL  22          HG22      VAL  22  -1.199   0.219  -4.955
  199   HG23  VAL  22          HG23      VAL  22  -1.209  -0.119  -3.224
  200    H    GLN  23           HN       GLN  23  -2.717   2.614  -3.417
  201    HA   GLN  23           HA       GLN  23  -2.812   3.024  -0.574
  202    HB2  GLN  23           HB2      GLN  23  -5.020   2.721  -2.618
  203    HB3  GLN  23           HB1      GLN  23  -5.255   3.189  -0.938
  204    HG2  GLN  23           HG2      GLN  23  -3.852   5.171  -1.311
  205    HG3  GLN  23           HG1      GLN  23  -3.683   4.715  -3.002
  206   HE21  GLN  23          HE21      GLN  23  -6.454   3.803  -3.204
  207   HE22  GLN  23          HE22      GLN  23  -7.423   5.236  -3.244
  208    H    THR  24           HN       THR  24  -2.312   1.325   0.590
  209    HA   THR  24           HA       THR  24  -3.183  -1.341  -0.181
  210    HB   THR  24           HB       THR  24  -1.742  -1.964   1.856
  211    HG1  THR  24           HG1      THR  24  -0.279  -0.321   2.496
  212   HG21  THR  24          HG21      THR  24   0.330  -1.752   0.595
  213   HG22  THR  24          HG22      THR  24  -0.415  -0.554  -0.465
  214   HG23  THR  24          HG23      THR  24  -0.993  -2.221  -0.472
  215    H    CYS  25           HN       CYS  25  -4.086  -2.773   1.479
  216    HA   CYS  25           HA       CYS  25  -6.177  -1.395   2.949
  217    HB2  CYS  25           HB2      CYS  25  -7.236  -3.567   3.145
  218    HB3  CYS  25           HB1      CYS  25  -6.693  -3.356   1.494
  219    H    SER  26           HN       SER  26  -3.153  -2.889   3.537
  220    HA   SER  26           HA       SER  26  -3.399  -2.441   6.375
  221    HB2  SER  26           HB2      SER  26  -2.788  -4.804   6.952
  222    HB3  SER  26           HB1      SER  26  -4.398  -4.653   6.256
  223    HG   SER  26           HG       SER  26  -3.692  -6.136   4.933
  224    H    LEU  27           HN       LEU  27  -1.296  -3.219   7.488
  225    HA   LEU  27           HA       LEU  27   0.975  -2.280   6.093
  226    HB2  LEU  27           HB2      LEU  27   0.712  -3.923   8.606
  227    HB3  LEU  27           HB1      LEU  27   2.252  -3.372   7.984
  228    HG   LEU  27           HG       LEU  27  -0.008  -1.567   8.851
  229   HD11  LEU  27          HD11      LEU  27   2.610  -2.229  10.197
  230   HD12  LEU  27          HD12      LEU  27   1.011  -2.749  10.731
  231   HD13  LEU  27          HD13      LEU  27   1.435  -1.036  10.748
  232   HD21  LEU  27          HD21      LEU  27   1.689   0.207   8.657
  233   HD22  LEU  27          HD22      LEU  27   1.340  -0.556   7.106
  234   HD23  LEU  27          HD23      LEU  27   2.817  -0.965   7.978
  235    H    GLU  28           HN       GLU  28  -0.571  -5.374   6.311
  236    HA   GLU  28           HA       GLU  28   1.544  -7.053   5.562
  237    HB2  GLU  28           HB2      GLU  28  -0.589  -7.945   6.341
  238    HB3  GLU  28           HB1      GLU  28  -1.404  -7.291   4.925
  239    HG2  GLU  28           HG2      GLU  28  -0.025  -8.758   3.498
  240    HG3  GLU  28           HG1      GLU  28   0.683  -9.460   4.952
  241    H    CYS  29           HN       CYS  29  -0.842  -5.356   3.561
  242    HA   CYS  29           HA       CYS  29   0.380  -6.187   1.120
  243    HB2  CYS  29           HB2      CYS  29  -1.819  -4.291   1.854
  244    HB3  CYS  29           HB1      CYS  29  -1.208  -4.346   0.210
  245    H    SER  30           HN       SER  30   0.886  -3.628   3.350
  246    HA   SER  30           HA       SER  30   2.175  -1.844   1.527
  247    HB2  SER  30           HB2      SER  30   2.382  -1.984   4.544
  248    HB3  SER  30           HB1      SER  30   2.881  -0.630   3.531
  249    HG   SER  30           HG       SER  30   0.293  -1.539   4.151
  250    H    LYS  31           HN       LYS  31   3.253  -4.404   3.730
  251    HA   LYS  31           HA       LYS  31   6.025  -3.958   3.020
  252    HB2  LYS  31           HB2      LYS  31   6.552  -5.762   4.517
  253    HB3  LYS  31           HB1      LYS  31   5.354  -4.738   5.293
  254    HG2  LYS  31           HG2      LYS  31   3.605  -6.357   4.604
  255    HG3  LYS  31           HG1      LYS  31   4.884  -7.407   3.989
  256    HD2  LYS  31           HD2      LYS  31   5.884  -7.448   6.251
  257    HD3  LYS  31           HD1      LYS  31   4.525  -6.489   6.841
  258    HE2  LYS  31           HE2      LYS  31   3.006  -8.305   6.032
  259    HE3  LYS  31           HE1      LYS  31   4.439  -9.266   5.677
  260    HZ1  LYS  31           HZ1      LYS  31   3.616  -8.254   8.343
  261    HZ2  LYS  31           HZ2      LYS  31   5.053  -9.087   8.032
  262    HZ3  LYS  31           HZ3      LYS  31   3.566  -9.861   7.817
  263    H    LYS  32           HN       LYS  32   3.391  -5.572   1.726
  264    HA   LYS  32           HA       LYS  32   4.506  -7.876   0.606
  265    HB2  LYS  32           HB2      LYS  32   2.084  -7.349   0.720
  266    HB3  LYS  32           HB1      LYS  32   2.312  -6.132  -0.525
  267    HG2  LYS  32           HG2      LYS  32   1.457  -7.999  -1.638
  268    HG3  LYS  32           HG1      LYS  32   3.186  -8.008  -1.987
  269    HD2  LYS  32           HD2      LYS  32   3.578  -9.737  -0.398
  270    HD3  LYS  32           HD1      LYS  32   1.935  -9.609   0.234
  271    HE2  LYS  32           HE2      LYS  32   2.198 -11.556  -1.230
  272    HE3  LYS  32           HE1      LYS  32   1.036 -10.400  -1.876
  273    HZ1  LYS  32           HZ1      LYS  32   3.832 -10.821  -2.767
  274    HZ2  LYS  32           HZ2      LYS  32   2.872  -9.533  -3.287
  275    HZ3  LYS  32           HZ3      LYS  32   2.418 -11.119  -3.646
  276    H    HIS  33           HN       HIS  33   4.158  -4.598  -0.767
  277    HA   HIS  33           HA       HIS  33   5.473  -5.333  -3.197
  278    HB2  HIS  33           HB2      HIS  33   5.334  -2.995  -3.813
  279    HB3  HIS  33           HB1      HIS  33   3.811  -3.497  -3.100
  280    HD1  HIS  33           HD1      HIS  33   2.893  -1.596  -1.769
  281    HD2  HIS  33           HD2      HIS  33   7.014  -1.871  -1.453
  282    HE1  HIS  33           HE1      HIS  33   3.613   0.269  -0.224
  283    H    LYS  34           HN       LYS  34   6.661  -4.780  -0.127
  284    HA   LYS  34           HA       LYS  34   8.944  -3.192  -0.841
  285    HB2  LYS  34           HB2      LYS  34   8.267  -4.676   1.701
  286    HB3  LYS  34           HB1      LYS  34   9.647  -3.601   1.510
  287    HG2  LYS  34           HG2      LYS  34   8.054  -1.772   0.943
  288    HG3  LYS  34           HG1      LYS  34   6.733  -2.870   1.345
  289    HD2  LYS  34           HD2      LYS  34   7.673  -3.098   3.625
  290    HD3  LYS  34           HD1      LYS  34   8.914  -1.919   3.200
  291    HE2  LYS  34           HE2      LYS  34   7.170  -0.256   2.747
  292    HE3  LYS  34           HE1      LYS  34   5.937  -1.433   3.201
  293    HZ1  LYS  34           HZ1      LYS  34   8.053  -0.343   4.980
  294    HZ2  LYS  34           HZ2      LYS  34   6.910  -1.510   5.423
  295    HZ3  LYS  34           HZ3      LYS  34   6.407   0.054   5.024
  296    H    THR  35           HN       THR  35   8.213  -6.562  -0.629
  297    HA   THR  35           HA       THR  35  10.993  -7.358  -0.547
  298    HB   THR  35           HB       THR  35   9.192  -8.636   0.623
  299    HG1  THR  35           HG1      THR  35  10.494 -10.225  -1.357
  300   HG21  THR  35          HG21      THR  35   8.414  -9.440  -2.181
  301   HG22  THR  35          HG22      THR  35   7.440  -8.485  -1.064
  302   HG23  THR  35          HG23      THR  35   7.800 -10.173  -0.700
  303    H    ARG  36           HN       ARG  36   9.157  -6.114  -2.916
  304    HA   ARG  36           HA       ARG  36  10.528  -7.679  -4.992
  305    HB2  ARG  36           HB2      ARG  36   8.495  -7.271  -6.445
  306    HB3  ARG  36           HB1      ARG  36   8.284  -8.415  -5.126
  307    HG2  ARG  36           HG2      ARG  36   7.230  -6.631  -3.788
  308    HG3  ARG  36           HG1      ARG  36   7.370  -5.548  -5.174
  309    HD2  ARG  36           HD2      ARG  36   5.850  -8.151  -5.135
  310    HD3  ARG  36           HD1      ARG  36   5.132  -6.550  -4.985
  311    HE   ARG  36           HE       ARG  36   6.535  -6.426  -7.310
  312   HH11  ARG  36          HH11      ARG  36   4.065  -8.553  -6.053
  313   HH12  ARG  36          HH12      ARG  36   3.389  -8.907  -7.610
  314   HH21  ARG  36          HH21      ARG  36   5.657  -6.884  -9.366
  315   HH22  ARG  36          HH22      ARG  36   4.303  -7.958  -9.501
  316    H    ASP  37           HN       ASP  37   9.332  -4.564  -3.929
  317    HA   ASP  37           HA       ASP  37  10.533  -3.284  -6.273
  318    HB2  ASP  37           HB2      ASP  37   8.235  -2.609  -5.640
  319    HB3  ASP  37           HB1      ASP  37   8.835  -2.080  -4.072
  320    H    ASN  38           HN       ASN  38  11.360  -4.217  -3.219
  321    HA   ASN  38           HA       ASN  38  12.998  -3.740  -1.746
  322    HB2  ASN  38           HB2      ASN  38  14.070  -2.521  -4.258
  323    HB3  ASN  38           HB1      ASN  38  14.933  -2.295  -2.740
  324   HD21  ASN  38          HD21      ASN  38  16.680  -3.490  -3.568
  325   HD22  ASN  38          HD22      ASN  38  16.619  -5.213  -3.668
  326    H    CYS  39           HN       CYS  39  10.682  -2.052  -2.071
  327    HA   CYS  39           HA       CYS  39  11.463   0.597  -1.248
  328    HB2  CYS  39           HB2      CYS  39   9.464   0.299  -2.605
  329    HB3  CYS  39           HB1      CYS  39   8.797  -0.830  -1.436
  330    H    SER  40           HN       SER  40  11.225   1.413   0.888
  331    HA   SER  40           HA       SER  40  10.689  -0.647   2.920
  332    HB2  SER  40           HB2      SER  40  12.353   1.860   3.229
  333    HB3  SER  40           HB1      SER  40  12.098   0.624   4.458
  334    HG   SER  40           HG       SER  40  12.989  -0.837   2.700
  335    H    GLY  41           HN       GLY  41   9.458   2.080   1.464
  336    HA2  GLY  41           HA2      GLY  41   7.379   3.030   1.828
  337    HA3  GLY  41           HA1      GLY  41   7.261   2.125   3.324
  338    H    GLN  42           HN       GLN  42   9.711   4.461   2.277
  339    HA   GLN  42           HA       GLN  42   8.685   6.519   4.004
  340    HB2  GLN  42           HB2      GLN  42   9.878   5.024   5.594
  341    HB3  GLN  42           HB1      GLN  42  11.347   5.230   4.651
  342    HG2  GLN  42           HG2      GLN  42  11.346   7.613   5.157
  343    HG3  GLN  42           HG1      GLN  42   9.861   7.417   6.088
  344   HE21  GLN  42          HE21      GLN  42  13.274   6.828   5.976
  345   HE22  GLN  42          HE22      GLN  42  13.462   6.398   7.641
  346    H    THR  43           HN       THR  43   8.955   8.281   2.828
  347    HA   THR  43           HA       THR  43  10.754   8.449   0.650
  348    HB   THR  43           HB       THR  43  10.019  11.050   1.202
  349    HG1  THR  43           HG1      THR  43   8.373  10.976   2.530
  350   HG21  THR  43          HG21      THR  43   8.461   8.956  -0.320
  351   HG22  THR  43          HG22      THR  43   9.803   9.910  -0.953
  352   HG23  THR  43          HG23      THR  43   8.292  10.702  -0.506
  353    H    HIS  44           HN       HIS  44  10.656  10.640   3.488
  354    HA   HIS  44           HA       HIS  44  13.390   9.909   4.099
  355    HB2  HIS  44           HB2      HIS  44  14.279  12.173   4.122
  356    HB3  HIS  44           HB1      HIS  44  13.711  11.762   2.513
  357    HD1  HIS  44           HD1      HIS  44  12.148  13.380   1.443
  358    HD2  HIS  44           HD2      HIS  44  12.467  13.980   5.541
  359    HE1  HIS  44           HE1      HIS  44  10.940  15.533   1.907
  360    HE2  HIS  44           HE2      HIS  44  11.274  15.948   4.367
  361    H    ASP  45           HN       ASP  45  10.372  10.454   5.045
  362    HA   ASP  45           HA       ASP  45  11.102  10.450   7.811
  363    HB2  ASP  45           HB2      ASP  45   9.797  12.362   8.514
  364    HB3  ASP  45           HB1      ASP  45  10.983  12.898   7.332
  Start of MODEL   10
    1    H1   GLY  -2           HT1      GLY  -2 -21.793   6.978  -3.152
    2    H2   GLY  -2           HT2      GLY  -2 -20.242   7.235  -3.772
    3    H3   GLY  -2           HT3      GLY  -2 -21.116   8.529  -3.126
    4    HA2  GLY  -2           HA1      GLY  -2 -21.049   7.510  -0.934
    5    HA3  GLY  -2           HA2      GLY  -2 -20.110   6.189  -1.613
    6    HA   PRO  -1           HA       PRO  -1 -17.193   9.429   0.008
    7    HB2  PRO  -1           HB2      PRO  -1 -15.537   7.709   1.295
    8    HB3  PRO  -1           HB1      PRO  -1 -17.001   8.362   2.037
    9    HG2  PRO  -1           HG2      PRO  -1 -16.553   5.698   0.756
   10    HG3  PRO  -1           HG1      PRO  -1 -17.431   6.090   2.245
   11    HD2  PRO  -1           HD2      PRO  -1 -18.676   5.612  -0.122
   12    HD3  PRO  -1           HD1      PRO  -1 -19.333   6.709   1.108
   13    H    HIS   0           HN       HIS   0 -15.238  10.005  -0.878
   14    HA   HIS   0           HA       HIS   0 -14.400   8.432  -3.163
   15    HB2  HIS   0           HB2      HIS   0 -13.057  10.302  -3.826
   16    HB3  HIS   0           HB1      HIS   0 -14.612  10.927  -3.303
   17    HD1  HIS   0           HD1      HIS   0 -10.992  11.161  -2.661
   18    HD2  HIS   0           HD2      HIS   0 -14.522  12.308  -0.781
   19    HE1  HIS   0           HE1      HIS   0 -10.321  12.849  -0.924
   20    HE2  HIS   0           HE2      HIS   0 -12.444  13.385   0.315
   21    H    MET   1           HN       MET   1 -13.497   8.767   0.097
   22    HA   MET   1           HA       MET   1 -10.766   7.923  -0.305
   23    HB2  MET   1           HB2      MET   1 -10.656   7.742   2.145
   24    HB3  MET   1           HB1      MET   1 -11.236   9.312   1.617
   25    HG2  MET   1           HG2      MET   1 -13.522   8.646   2.145
   26    HG3  MET   1           HG1      MET   1 -12.943   7.063   2.658
   27    HE1  MET   1           HE1      MET   1 -14.760   8.975   4.465
   28    HE2  MET   1           HE2      MET   1 -13.967   8.796   6.030
   29    HE3  MET   1           HE3      MET   1 -14.195   7.390   4.991
   30    H    ALA   2           HN       ALA   2 -11.830   6.230  -1.707
   31    HA   ALA   2           HA       ALA   2 -11.672   3.701  -0.335
   32    HB1  ALA   2           HB1      ALA   2 -14.132   4.419  -1.935
   33    HB2  ALA   2           HB2      ALA   2 -14.075   4.147  -0.193
   34    HB3  ALA   2           HB3      ALA   2 -13.741   2.816  -1.307
   35    H    VAL   3           HN       VAL   3 -11.970   1.948  -2.130
   36    HA   VAL   3           HA       VAL   3 -11.132   2.272  -4.725
   37    HB   VAL   3           HB       VAL   3  -9.304   3.615  -3.342
   38   HG11  VAL   3          HG11      VAL   3  -8.045   0.910  -3.256
   39   HG12  VAL   3          HG12      VAL   3  -8.960   1.559  -1.897
   40   HG13  VAL   3          HG13      VAL   3  -7.527   2.412  -2.487
   41   HG21  VAL   3          HG21      VAL   3  -9.116   3.306  -5.719
   42   HG22  VAL   3          HG22      VAL   3  -8.523   1.663  -5.474
   43   HG23  VAL   3          HG23      VAL   3  -7.565   3.035  -4.923
   44    H    LEU   4           HN       LEU   4  -9.538   0.200  -5.224
   45    HA   LEU   4           HA       LEU   4  -9.853  -1.666  -2.992
   46    HB2  LEU   4           HB2      LEU   4  -9.669  -2.284  -5.944
   47    HB3  LEU   4           HB1      LEU   4  -9.474  -3.502  -4.700
   48    HG   LEU   4           HG       LEU   4 -11.961  -1.908  -5.307
   49   HD11  LEU   4          HD11      LEU   4 -11.369  -4.859  -5.453
   50   HD12  LEU   4          HD12      LEU   4 -11.526  -3.763  -6.826
   51   HD13  LEU   4          HD13      LEU   4 -12.920  -4.094  -5.799
   52   HD21  LEU   4          HD21      LEU   4 -13.000  -3.308  -3.516
   53   HD22  LEU   4          HD22      LEU   4 -11.858  -2.100  -2.930
   54   HD23  LEU   4          HD23      LEU   4 -11.374  -3.799  -3.029
   55    H    CYS   5           HN       CYS   5  -8.147  -2.367  -2.066
   56    HA   CYS   5           HA       CYS   5  -5.730  -1.277  -1.942
   57    HB2  CYS   5           HB2      CYS   5  -6.590  -3.040  -0.466
   58    HB3  CYS   5           HB1      CYS   5  -6.340  -4.231  -1.727
   59    H    GLY   6           HN       GLY   6  -4.059  -0.947  -3.258
   60    HA2  GLY   6           HA2      GLY   6  -4.005  -1.887  -5.911
   61    HA3  GLY   6           HA1      GLY   6  -2.689  -1.063  -5.095
   62    H    VAL   7           HN       VAL   7  -2.922  -3.405  -3.057
   63    HA   VAL   7           HA       VAL   7  -1.032  -5.103  -4.474
   64    HB   VAL   7           HB       VAL   7  -1.821  -5.023  -1.560
   65   HG11  VAL   7          HG11      VAL   7   0.281  -6.718  -2.911
   66   HG12  VAL   7          HG12      VAL   7  -1.238  -7.300  -2.226
   67   HG13  VAL   7          HG13      VAL   7  -0.003  -6.609  -1.173
   68   HG21  VAL   7          HG21      VAL   7   0.429  -4.146  -1.223
   69   HG22  VAL   7          HG22      VAL   7  -0.485  -3.117  -2.326
   70   HG23  VAL   7          HG23      VAL   7   0.732  -4.225  -2.959
   71    H    CYS   8           HN       CYS   8  -3.847  -5.683  -2.337
   72    HA   CYS   8           HA       CYS   8  -4.137  -8.305  -3.615
   73    HB2  CYS   8           HB2      CYS   8  -5.257  -9.042  -1.628
   74    HB3  CYS   8           HB1      CYS   8  -3.799  -8.197  -1.132
   75    H    GLY   9           HN       GLY   9  -5.860  -5.369  -2.841
   76    HA2  GLY   9           HA2      GLY   9  -7.859  -4.492  -3.539
   77    HA3  GLY   9           HA1      GLY   9  -7.500  -5.329  -5.036
   78    H    ILE  10           HN       ILE  10  -8.866  -5.950  -1.797
   79    HA   ILE  10           HA       ILE  10 -11.026  -7.408  -3.109
   80    HB   ILE  10           HB       ILE  10 -10.835  -9.115  -1.144
   81   HG12  ILE  10          HG12      ILE  10  -8.422  -9.608  -0.617
   82   HG13  ILE  10          HG11      ILE  10  -8.005  -8.063  -1.347
   83   HG21  ILE  10          HG21      ILE  10  -8.984  -9.186  -3.520
   84   HG22  ILE  10          HG22      ILE  10 -10.670  -9.699  -3.488
   85   HG23  ILE  10          HG23      ILE  10  -9.463 -10.579  -2.552
   86   HD11  ILE  10          HD11      ILE  10  -8.077  -7.855   1.045
   87   HD12  ILE  10          HD12      ILE  10  -9.727  -8.480   1.080
   88   HD13  ILE  10          HD13      ILE  10  -9.390  -6.923   0.319
   89    H    LYS  11           HN       LYS  11 -10.559  -4.837  -1.380
   90    HA   LYS  11           HA       LYS  11 -13.089  -4.991  -0.090
   91    HB2  LYS  11           HB2      LYS  11 -12.325  -4.549   2.230
   92    HB3  LYS  11           HB1      LYS  11 -11.909  -6.151   1.647
   93    HG2  LYS  11           HG2      LYS  11  -9.606  -5.219   1.140
   94    HG3  LYS  11           HG1      LYS  11 -10.092  -3.797   2.060
   95    HD2  LYS  11           HD2      LYS  11 -10.086  -6.621   3.113
   96    HD3  LYS  11           HD1      LYS  11  -8.830  -5.422   3.416
   97    HE2  LYS  11           HE2      LYS  11 -10.453  -3.988   4.533
   98    HE3  LYS  11           HE1      LYS  11 -11.730  -5.157   4.202
   99    HZ1  LYS  11           HZ1      LYS  11 -10.873  -5.351   6.461
  100    HZ2  LYS  11           HZ2      LYS  11  -9.326  -5.673   5.866
  101    HZ3  LYS  11           HZ3      LYS  11 -10.585  -6.764   5.576
  102    H    GLU  12           HN       GLU  12 -10.131  -3.092   0.541
  103    HA   GLU  12           HA       GLU  12 -10.861  -0.754  -0.790
  104    HB2  GLU  12           HB2      GLU  12 -12.727  -0.850   0.951
  105    HB3  GLU  12           HB1      GLU  12 -11.486  -0.624   2.173
  106    HG2  GLU  12           HG2      GLU  12 -10.928   1.538   1.274
  107    HG3  GLU  12           HG1      GLU  12 -12.044   1.302  -0.070
  108    H    PHE  13           HN       PHE  13  -9.434   1.100  -0.010
  109    HA   PHE  13           HA       PHE  13  -6.979   0.021   1.151
  110    HB2  PHE  13           HB2      PHE  13  -5.837   1.779   0.156
  111    HB3  PHE  13           HB1      PHE  13  -7.149   1.527  -0.965
  112    HD1  PHE  13           HD1      PHE  13  -8.985   3.134  -1.143
  113    HD2  PHE  13           HD2      PHE  13  -5.688   3.778   1.483
  114    HE1  PHE  13           HE1      PHE  13  -9.604   5.507  -0.939
  115    HE2  PHE  13           HE2      PHE  13  -6.297   6.153   1.672
  116    HZ   PHE  13           HZ       PHE  13  -8.259   7.021   0.465
  117    H    LYS  14           HN       LYS  14  -5.946   0.971   2.901
  118    HA   LYS  14           HA       LYS  14  -7.472   2.931   4.458
  119    HB2  LYS  14           HB2      LYS  14  -7.851   0.773   5.503
  120    HB3  LYS  14           HB1      LYS  14  -6.128   0.434   5.506
  121    HG2  LYS  14           HG2      LYS  14  -5.732   2.158   7.122
  122    HG3  LYS  14           HG1      LYS  14  -7.415   2.683   7.039
  123    HD2  LYS  14           HD2      LYS  14  -6.509  -0.045   7.953
  124    HD3  LYS  14           HD1      LYS  14  -6.883   1.295   9.035
  125    HE2  LYS  14           HE2      LYS  14  -9.174   1.353   7.998
  126    HE3  LYS  14           HE1      LYS  14  -8.758  -0.144   7.167
  127    HZ1  LYS  14           HZ1      LYS  14  -9.968  -0.610   9.184
  128    HZ2  LYS  14           HZ2      LYS  14  -8.848   0.255  10.109
  129    HZ3  LYS  14           HZ3      LYS  14  -8.382  -1.176   9.339
  130    H    TYR  15           HN       TYR  15  -4.568   1.809   3.128
  131    HA   TYR  15           HA       TYR  15  -3.035   3.927   4.479
  132    HB2  TYR  15           HB2      TYR  15  -2.053   1.215   3.565
  133    HB3  TYR  15           HB1      TYR  15  -1.029   2.496   4.197
  134    HD1  TYR  15           HD1      TYR  15  -3.954   0.397   5.117
  135    HD2  TYR  15           HD2      TYR  15  -0.553   2.561   6.446
  136    HE1  TYR  15           HE1      TYR  15  -4.297  -0.480   7.398
  137    HE2  TYR  15           HE2      TYR  15  -0.880   1.697   8.729
  138    HH   TYR  15           HH       TYR  15  -2.967  -0.878   9.437
  139    H    LYS  16           HN       LYS  16  -1.045   4.474   3.185
  140    HA   LYS  16           HA       LYS  16  -1.117   3.918   0.356
  141    HB2  LYS  16           HB2      LYS  16  -2.634   5.885   0.591
  142    HB3  LYS  16           HB1      LYS  16  -1.311   6.781   1.326
  143    HG2  LYS  16           HG2      LYS  16  -0.061   6.761  -0.705
  144    HG3  LYS  16           HG1      LYS  16  -1.179   5.611  -1.444
  145    HD2  LYS  16           HD2      LYS  16  -1.591   7.846  -2.290
  146    HD3  LYS  16           HD1      LYS  16  -2.963   7.293  -1.329
  147    HE2  LYS  16           HE2      LYS  16  -2.209   8.610   0.561
  148    HE3  LYS  16           HE1      LYS  16  -0.769   9.106  -0.328
  149    HZ1  LYS  16           HZ1      LYS  16  -2.499  10.808  -0.350
  150    HZ2  LYS  16           HZ2      LYS  16  -3.562   9.738  -1.114
  151    HZ3  LYS  16           HZ3      LYS  16  -2.162  10.251  -1.911
  152    H    CYS  17           HN       CYS  17   0.906   3.184   0.224
  153    HA   CYS  17           HA       CYS  17   3.057   3.750   1.830
  154    HB2  CYS  17           HB2      CYS  17   3.134   1.920   0.234
  155    HB3  CYS  17           HB1      CYS  17   3.111   3.052  -1.116
  156    HA   PRO  18           HA       PRO  18   4.079   7.971   0.812
  157    HB2  PRO  18           HB2      PRO  18   6.441   8.075   2.146
  158    HB3  PRO  18           HB1      PRO  18   4.875   8.137   2.966
  159    HG2  PRO  18           HG2      PRO  18   6.727   5.823   2.579
  160    HG3  PRO  18           HG1      PRO  18   5.843   6.310   4.036
  161    HD2  PRO  18           HD2      PRO  18   4.989   4.311   2.431
  162    HD3  PRO  18           HD1      PRO  18   3.864   5.373   3.302
  163    H    ARG  19           HN       ARG  19   5.797   5.164  -0.063
  164    HA   ARG  19           HA       ARG  19   7.663   6.673  -1.752
  165    HB2  ARG  19           HB2      ARG  19   7.609   3.763  -0.946
  166    HB3  ARG  19           HB1      ARG  19   8.762   4.445  -2.084
  167    HG2  ARG  19           HG2      ARG  19   9.402   6.045  -0.192
  168    HG3  ARG  19           HG1      ARG  19   8.507   4.949   0.863
  169    HD2  ARG  19           HD2      ARG  19  10.906   4.418   0.817
  170    HD3  ARG  19           HD1      ARG  19   9.928   3.096   0.175
  171    HE   ARG  19           HE       ARG  19  10.744   4.827  -1.913
  172   HH11  ARG  19          HH11      ARG  19  12.133   2.436   0.266
  173   HH12  ARG  19          HH12      ARG  19  13.277   1.870  -0.903
  174   HH21  ARG  19          HH21      ARG  19  12.233   4.077  -3.426
  175   HH22  ARG  19          HH22      ARG  19  13.342   2.804  -3.003
  176    H    CYS  20           HN       CYS  20   5.327   3.998  -1.903
  177    HA   CYS  20           HA       CYS  20   5.552   3.947  -4.805
  178    HB2  CYS  20           HB2      CYS  20   3.896   2.185  -2.996
  179    HB3  CYS  20           HB1      CYS  20   4.209   1.921  -4.705
  180    H    LEU  21           HN       LEU  21   3.545   5.216  -2.393
  181    HA   LEU  21           HA       LEU  21   1.560   6.273  -2.325
  182    HB2  LEU  21           HB2      LEU  21   1.738   6.439  -5.328
  183    HB3  LEU  21           HB1      LEU  21   0.770   7.446  -4.270
  184    HG   LEU  21           HG       LEU  21   3.732   7.500  -4.724
  185   HD11  LEU  21          HD11      LEU  21   3.287   9.886  -5.026
  186   HD12  LEU  21          HD12      LEU  21   1.579   9.599  -4.695
  187   HD13  LEU  21          HD13      LEU  21   2.332   8.890  -6.124
  188   HD21  LEU  21          HD21      LEU  21   3.530   7.434  -2.325
  189   HD22  LEU  21          HD22      LEU  21   2.267   8.667  -2.361
  190   HD23  LEU  21          HD23      LEU  21   3.917   9.080  -2.832
  191    H    VAL  22           HN       VAL  22   1.817   3.303  -3.007
  192    HA   VAL  22           HA       VAL  22  -0.634   2.744  -4.385
  193    HB   VAL  22           HB       VAL  22   1.278   1.219  -4.640
  194   HG11  VAL  22          HG11      VAL  22   1.947  -0.291  -2.862
  195   HG12  VAL  22          HG12      VAL  22   0.819   0.490  -1.755
  196   HG13  VAL  22          HG13      VAL  22   2.200   1.386  -2.380
  197   HG21  VAL  22          HG21      VAL  22  -1.131  -0.043  -3.339
  198   HG22  VAL  22          HG22      VAL  22   0.055  -0.893  -4.330
  199   HG23  VAL  22          HG23      VAL  22  -0.953   0.367  -5.044
  200    H    GLN  23           HN       GLN  23  -2.508   2.782  -3.522
  201    HA   GLN  23           HA       GLN  23  -3.022   3.085  -0.747
  202    HB2  GLN  23           HB2      GLN  23  -4.917   2.328  -2.987
  203    HB3  GLN  23           HB1      GLN  23  -5.374   2.958  -1.411
  204    HG2  GLN  23           HG2      GLN  23  -4.411   5.077  -1.884
  205    HG3  GLN  23           HG1      GLN  23  -3.661   4.473  -3.357
  206   HE21  GLN  23          HE21      GLN  23  -6.586   5.579  -1.886
  207   HE22  GLN  23          HE22      GLN  23  -7.521   5.692  -3.336
  208    H    THR  24           HN       THR  24  -2.716   1.536   0.655
  209    HA   THR  24           HA       THR  24  -3.197  -1.254  -0.140
  210    HB   THR  24           HB       THR  24  -1.738  -1.613   2.035
  211    HG1  THR  24           HG1      THR  24  -0.831   0.931   1.114
  212   HG21  THR  24          HG21      THR  24  -1.101  -2.355  -0.192
  213   HG22  THR  24          HG22      THR  24   0.282  -1.640   0.637
  214   HG23  THR  24          HG23      THR  24  -0.574  -0.723  -0.605
  215    H    CYS  25           HN       CYS  25  -4.222  -2.647   1.369
  216    HA   CYS  25           HA       CYS  25  -6.348  -1.328   2.778
  217    HB2  CYS  25           HB2      CYS  25  -7.262  -3.547   3.115
  218    HB3  CYS  25           HB1      CYS  25  -6.726  -3.387   1.448
  219    H    SER  26           HN       SER  26  -3.385  -2.981   3.605
  220    HA   SER  26           HA       SER  26  -3.601  -2.101   6.336
  221    HB2  SER  26           HB2      SER  26  -3.649  -5.057   5.675
  222    HB3  SER  26           HB1      SER  26  -3.305  -4.411   7.277
  223    HG   SER  26           HG       SER  26  -5.586  -3.381   6.154
  224    H    LEU  27           HN       LEU  27  -1.610  -2.882   7.603
  225    HA   LEU  27           HA       LEU  27   0.667  -2.000   6.263
  226    HB2  LEU  27           HB2      LEU  27   0.380  -3.613   8.789
  227    HB3  LEU  27           HB1      LEU  27   1.915  -2.987   8.221
  228    HG   LEU  27           HG       LEU  27  -0.469  -1.258   8.876
  229   HD11  LEU  27          HD11      LEU  27   0.343  -2.404  10.873
  230   HD12  LEU  27          HD12      LEU  27   0.731  -0.684  10.922
  231   HD13  LEU  27          HD13      LEU  27   1.983  -1.860  10.524
  232   HD21  LEU  27          HD21      LEU  27   1.074  -0.260   7.276
  233   HD22  LEU  27          HD22      LEU  27   2.429  -0.601   8.351
  234   HD23  LEU  27          HD23      LEU  27   1.187   0.551   8.838
  235    H    GLU  28           HN       GLU  28  -0.579  -5.250   6.710
  236    HA   GLU  28           HA       GLU  28   1.582  -6.791   5.940
  237    HB2  GLU  28           HB2      GLU  28  -0.617  -7.666   6.716
  238    HB3  GLU  28           HB1      GLU  28  -1.306  -7.244   5.156
  239    HG2  GLU  28           HG2      GLU  28  -0.837  -9.586   5.181
  240    HG3  GLU  28           HG1      GLU  28   0.292  -8.799   4.080
  241    H    CYS  29           HN       CYS  29  -0.801  -5.163   3.866
  242    HA   CYS  29           HA       CYS  29   0.497  -6.023   1.456
  243    HB2  CYS  29           HB2      CYS  29  -1.807  -4.216   2.086
  244    HB3  CYS  29           HB1      CYS  29  -1.130  -4.260   0.469
  245    H    SER  30           HN       SER  30   0.625  -3.265   3.579
  246    HA   SER  30           HA       SER  30   1.894  -1.466   1.798
  247    HB2  SER  30           HB2      SER  30   2.135  -1.529   4.814
  248    HB3  SER  30           HB1      SER  30   2.367  -0.138   3.756
  249    HG   SER  30           HG       SER  30   0.143  -0.270   3.213
  250    H    LYS  31           HN       LYS  31   2.997  -4.176   3.638
  251    HA   LYS  31           HA       LYS  31   5.768  -3.512   2.920
  252    HB2  LYS  31           HB2      LYS  31   6.505  -4.953   4.696
  253    HB3  LYS  31           HB1      LYS  31   5.318  -3.829   5.339
  254    HG2  LYS  31           HG2      LYS  31   3.609  -5.595   5.208
  255    HG3  LYS  31           HG1      LYS  31   4.848  -6.718   4.640
  256    HD2  LYS  31           HD2      LYS  31   6.111  -6.330   6.726
  257    HD3  LYS  31           HD1      LYS  31   4.811  -5.282   7.293
  258    HE2  LYS  31           HE2      LYS  31   4.575  -7.479   8.268
  259    HE3  LYS  31           HE1      LYS  31   3.250  -7.178   7.147
  260    HZ1  LYS  31           HZ1      LYS  31   4.081  -9.389   6.841
  261    HZ2  LYS  31           HZ2      LYS  31   5.660  -8.830   6.625
  262    HZ3  LYS  31           HZ3      LYS  31   4.473  -8.476   5.476
  263    H    LYS  32           HN       LYS  32   3.346  -5.015   1.588
  264    HA   LYS  32           HA       LYS  32   4.474  -7.613   1.034
  265    HB2  LYS  32           HB2      LYS  32   2.012  -7.152   1.128
  266    HB3  LYS  32           HB1      LYS  32   2.180  -6.203  -0.339
  267    HG2  LYS  32           HG2      LYS  32   1.367  -8.318  -0.988
  268    HG3  LYS  32           HG1      LYS  32   3.070  -8.275  -1.449
  269    HD2  LYS  32           HD2      LYS  32   3.655  -9.549   0.537
  270    HD3  LYS  32           HD1      LYS  32   1.968  -9.549   1.052
  271    HE2  LYS  32           HE2      LYS  32   2.553 -11.670   0.017
  272    HE3  LYS  32           HE1      LYS  32   1.359 -10.810  -0.952
  273    HZ1  LYS  32           HZ1      LYS  32   3.134 -10.082  -2.420
  274    HZ2  LYS  32           HZ2      LYS  32   3.081 -11.769  -2.332
  275    HZ3  LYS  32           HZ3      LYS  32   4.278 -10.917  -1.492
  276    H    HIS  33           HN       HIS  33   4.097  -4.534  -0.617
  277    HA   HIS  33           HA       HIS  33   5.166  -5.449  -3.099
  278    HB2  HIS  33           HB2      HIS  33   5.133  -3.079  -3.753
  279    HB3  HIS  33           HB1      HIS  33   3.611  -3.557  -3.014
  280    HD1  HIS  33           HD1      HIS  33   2.760  -1.673  -1.589
  281    HD2  HIS  33           HD2      HIS  33   6.889  -2.010  -1.449
  282    HE1  HIS  33           HE1      HIS  33   3.576   0.121   0.004
  283    H    LYS  34           HN       LYS  34   6.622  -4.693  -0.161
  284    HA   LYS  34           HA       LYS  34   8.838  -3.165  -1.059
  285    HB2  LYS  34           HB2      LYS  34   8.445  -4.765   1.473
  286    HB3  LYS  34           HB1      LYS  34   9.793  -3.671   1.187
  287    HG2  LYS  34           HG2      LYS  34   8.226  -1.803   0.971
  288    HG3  LYS  34           HG1      LYS  34   6.881  -2.903   1.271
  289    HD2  LYS  34           HD2      LYS  34   7.817  -3.410   3.491
  290    HD3  LYS  34           HD1      LYS  34   9.129  -2.271   3.183
  291    HE2  LYS  34           HE2      LYS  34   7.513  -0.459   2.968
  292    HE3  LYS  34           HE1      LYS  34   6.187  -1.583   3.249
  293    HZ1  LYS  34           HZ1      LYS  34   7.288  -2.050   5.451
  294    HZ2  LYS  34           HZ2      LYS  34   6.610  -0.511   5.283
  295    HZ3  LYS  34           HZ3      LYS  34   8.284  -0.714   5.154
  296    H    THR  35           HN       THR  35   8.122  -6.491  -1.115
  297    HA   THR  35           HA       THR  35  10.849  -7.397  -1.121
  298    HB   THR  35           HB       THR  35   8.931  -8.744  -0.229
  299    HG1  THR  35           HG1      THR  35  10.902  -9.772  -0.802
  300   HG21  THR  35          HG21      THR  35   7.582 -10.027  -1.853
  301   HG22  THR  35          HG22      THR  35   8.278  -9.068  -3.158
  302   HG23  THR  35          HG23      THR  35   7.271  -8.294  -1.935
  303    H    ARG  36           HN       ARG  36   8.640  -6.207  -3.475
  304    HA   ARG  36           HA       ARG  36  10.285  -7.358  -5.635
  305    HB2  ARG  36           HB2      ARG  36   8.263  -7.217  -7.066
  306    HB3  ARG  36           HB1      ARG  36   8.075  -8.312  -5.705
  307    HG2  ARG  36           HG2      ARG  36   6.813  -6.614  -4.497
  308    HG3  ARG  36           HG1      ARG  36   7.014  -5.497  -5.849
  309    HD2  ARG  36           HD2      ARG  36   5.804  -7.063  -7.301
  310    HD3  ARG  36           HD1      ARG  36   5.589  -8.152  -5.934
  311    HE   ARG  36           HE       ARG  36   4.554  -5.445  -5.646
  312   HH11  ARG  36          HH11      ARG  36   3.907  -8.805  -6.361
  313   HH12  ARG  36          HH12      ARG  36   2.212  -8.689  -6.013
  314   HH21  ARG  36          HH21      ARG  36   2.309  -5.269  -5.226
  315   HH22  ARG  36          HH22      ARG  36   1.304  -6.675  -5.379
  316    H    ASP  37           HN       ASP  37   9.110  -4.490  -4.193
  317    HA   ASP  37           HA       ASP  37   9.848  -2.909  -6.551
  318    HB2  ASP  37           HB2      ASP  37   8.162  -2.258  -4.132
  319    HB3  ASP  37           HB1      ASP  37   8.759  -1.010  -5.219
  320    H    ASN  38           HN       ASN  38  11.139  -4.113  -3.823
  321    HA   ASN  38           HA       ASN  38  12.886  -3.657  -2.458
  322    HB2  ASN  38           HB2      ASN  38  13.631  -1.940  -4.821
  323    HB3  ASN  38           HB1      ASN  38  14.708  -2.230  -3.460
  324   HD21  ASN  38          HD21      ASN  38  15.168  -2.888  -6.198
  325   HD22  ASN  38          HD22      ASN  38  15.338  -4.608  -6.295
  326    H    CYS  39           HN       CYS  39  10.728  -2.442  -1.646
  327    HA   CYS  39           HA       CYS  39  11.282   0.415  -1.289
  328    HB2  CYS  39           HB2      CYS  39   9.140  -0.227  -2.357
  329    HB3  CYS  39           HB1      CYS  39   8.711  -1.127  -0.911
  330    H    SER  40           HN       SER  40  10.341   1.254   0.864
  331    HA   SER  40           HA       SER  40  10.805  -0.524   3.086
  332    HB2  SER  40           HB2      SER  40  12.552   1.097   3.981
  333    HB3  SER  40           HB1      SER  40  13.056   0.079   2.633
  334    HG   SER  40           HG       SER  40  13.585   2.384   2.461
  335    H    GLY  41           HN       GLY  41  11.095   2.987   2.797
  336    HA2  GLY  41           HA2      GLY  41   8.684   4.028   3.302
  337    HA3  GLY  41           HA1      GLY  41   9.097   3.353   4.873
  338    H    GLN  42           HN       GLN  42  10.524   5.357   2.334
  339    HA   GLN  42           HA       GLN  42  11.886   6.893   4.437
  340    HB2  GLN  42           HB2      GLN  42  13.390   5.327   3.177
  341    HB3  GLN  42           HB1      GLN  42  13.010   6.224   1.713
  342    HG2  GLN  42           HG2      GLN  42  13.944   8.245   2.727
  343    HG3  GLN  42           HG1      GLN  42  14.355   7.313   4.165
  344   HE21  GLN  42          HE21      GLN  42  16.038   5.838   4.080
  345   HE22  GLN  42          HE22      GLN  42  17.207   5.843   2.805
  346    H    THR  43           HN       THR  43  10.163   6.859   1.443
  347    HA   THR  43           HA       THR  43   9.183   8.459   0.180
  348    HB   THR  43           HB       THR  43   9.687  10.402   2.435
  349    HG1  THR  43           HG1      THR  43   8.520   9.080   3.617
  350   HG21  THR  43          HG21      THR  43   8.726  11.307   0.353
  351   HG22  THR  43          HG22      THR  43   7.574  11.372   1.687
  352   HG23  THR  43          HG23      THR  43   7.424  10.122   0.452
  353    H    HIS  44           HN       HIS  44  11.122   8.208  -1.128
  354    HA   HIS  44           HA       HIS  44  12.450  10.770  -1.528
  355    HB2  HIS  44           HB2      HIS  44  13.847   9.198   0.020
  356    HB3  HIS  44           HB1      HIS  44  14.134   8.270  -1.443
  357    HD1  HIS  44           HD1      HIS  44  15.691  10.735   0.521
  358    HD2  HIS  44           HD2      HIS  44  15.224  10.202  -3.573
  359    HE1  HIS  44           HE1      HIS  44  17.499  12.109  -0.550
  360    HE2  HIS  44           HE2      HIS  44  17.294  11.643  -3.015
  361    H    ASP  45           HN       ASP  45  10.403   9.334  -2.863
  362    HA   ASP  45           HA       ASP  45  11.761   8.254  -5.236
  363    HB2  ASP  45           HB2      ASP  45   8.978   7.630  -4.221
  364    HB3  ASP  45           HB1      ASP  45   9.773   6.881  -5.601
  Start of MODEL   11
    1    H1   GLY  -2           HT1      GLY  -2  -9.331   1.129  -8.973
    2    H2   GLY  -2           HT2      GLY  -2  -9.302   1.160 -10.663
    3    H3   GLY  -2           HT3      GLY  -2  -8.606  -0.133  -9.830
    4    HA2  GLY  -2           HA1      GLY  -2 -10.718  -0.805 -10.739
    5    HA3  GLY  -2           HA2      GLY  -2 -10.776  -0.786  -8.982
    6    HA   PRO  -1           HA       PRO  -1 -14.449   1.682  -9.834
    7    HB2  PRO  -1           HB2      PRO  -1 -15.409   1.666  -7.304
    8    HB3  PRO  -1           HB1      PRO  -1 -15.578   0.288  -8.394
    9    HG2  PRO  -1           HG2      PRO  -1 -13.641   0.717  -6.166
   10    HG3  PRO  -1           HG1      PRO  -1 -14.490  -0.762  -6.644
   11    HD2  PRO  -1           HD2      PRO  -1 -11.880  -0.220  -7.278
   12    HD3  PRO  -1           HD1      PRO  -1 -12.931  -1.284  -8.232
   13    H    HIS   0           HN       HIS   0 -15.312   3.751  -9.031
   14    HA   HIS   0           HA       HIS   0 -13.143   5.403  -7.926
   15    HB2  HIS   0           HB2      HIS   0 -15.306   6.014  -9.913
   16    HB3  HIS   0           HB1      HIS   0 -14.513   7.309  -9.021
   17    HD1  HIS   0           HD1      HIS   0 -14.130   5.165 -11.953
   18    HD2  HIS   0           HD2      HIS   0 -11.639   7.411  -9.495
   19    HE1  HIS   0           HE1      HIS   0 -11.986   5.447 -13.238
   20    HE2  HIS   0           HE2      HIS   0 -10.479   6.776 -11.717
   21    H    MET   1           HN       MET   1 -16.022   4.041  -7.040
   22    HA   MET   1           HA       MET   1 -16.969   6.101  -5.295
   23    HB2  MET   1           HB2      MET   1 -18.269   4.321  -4.211
   24    HB3  MET   1           HB1      MET   1 -18.424   4.227  -5.957
   25    HG2  MET   1           HG2      MET   1 -16.853   2.389  -6.030
   26    HG3  MET   1           HG1      MET   1 -16.588   2.515  -4.294
   27    HE1  MET   1           HE1      MET   1 -20.557   1.161  -6.230
   28    HE2  MET   1           HE2      MET   1 -19.098   1.539  -7.143
   29    HE3  MET   1           HE3      MET   1 -19.970   2.822  -6.305
   30    H    ALA   2           HN       ALA   2 -14.640   3.548  -5.161
   31    HA   ALA   2           HA       ALA   2 -13.141   4.743  -3.077
   32    HB1  ALA   2           HB1      ALA   2 -14.849   3.730  -1.648
   33    HB2  ALA   2           HB2      ALA   2 -13.299   2.914  -1.442
   34    HB3  ALA   2           HB3      ALA   2 -14.570   2.163  -2.407
   35    H    VAL   3           HN       VAL   3 -11.066   3.868  -3.054
   36    HA   VAL   3           HA       VAL   3 -10.504   2.215  -5.369
   37    HB   VAL   3           HB       VAL   3  -8.610   3.615  -3.477
   38   HG11  VAL   3          HG11      VAL   3  -6.912   3.218  -5.184
   39   HG12  VAL   3          HG12      VAL   3  -8.082   2.320  -6.151
   40   HG13  VAL   3          HG13      VAL   3  -7.571   1.697  -4.581
   41   HG21  VAL   3          HG21      VAL   3 -10.021   5.164  -4.721
   42   HG22  VAL   3          HG22      VAL   3  -9.555   4.387  -6.233
   43   HG23  VAL   3          HG23      VAL   3  -8.350   5.245  -5.275
   44    H    LEU   4           HN       LEU   4  -9.846   0.172  -5.316
   45    HA   LEU   4           HA       LEU   4  -9.868  -1.265  -2.829
   46    HB2  LEU   4           HB2      LEU   4  -9.428  -2.051  -5.695
   47    HB3  LEU   4           HB1      LEU   4  -9.161  -3.188  -4.390
   48    HG   LEU   4           HG       LEU   4 -11.790  -1.796  -4.896
   49   HD11  LEU   4          HD11      LEU   4 -10.928  -4.590  -5.631
   50   HD12  LEU   4          HD12      LEU   4 -11.201  -3.265  -6.762
   51   HD13  LEU   4          HD13      LEU   4 -12.545  -3.915  -5.824
   52   HD21  LEU   4          HD21      LEU   4 -11.008  -4.111  -3.118
   53   HD22  LEU   4          HD22      LEU   4 -12.659  -3.555  -3.399
   54   HD23  LEU   4          HD23      LEU   4 -11.499  -2.500  -2.593
   55    H    CYS   5           HN       CYS   5  -8.169  -2.334  -1.898
   56    HA   CYS   5           HA       CYS   5  -5.743  -1.202  -1.550
   57    HB2  CYS   5           HB2      CYS   5  -6.654  -3.103  -0.251
   58    HB3  CYS   5           HB1      CYS   5  -6.325  -4.166  -1.606
   59    H    GLY   6           HN       GLY   6  -4.018  -0.818  -2.784
   60    HA2  GLY   6           HA2      GLY   6  -3.877  -1.518  -5.487
   61    HA3  GLY   6           HA1      GLY   6  -2.543  -0.890  -4.538
   62    H    VAL   7           HN       VAL   7  -2.856  -3.330  -2.727
   63    HA   VAL   7           HA       VAL   7  -1.122  -5.022  -4.339
   64    HB   VAL   7           HB       VAL   7  -1.753  -5.099  -1.388
   65   HG11  VAL   7          HG11      VAL   7  -1.279  -7.352  -2.217
   66   HG12  VAL   7          HG12      VAL   7   0.036  -6.760  -1.200
   67   HG13  VAL   7          HG13      VAL   7   0.214  -6.772  -2.956
   68   HG21  VAL   7          HG21      VAL   7   0.553  -4.327  -1.135
   69   HG22  VAL   7          HG22      VAL   7  -0.401  -3.192  -2.090
   70   HG23  VAL   7          HG23      VAL   7   0.733  -4.281  -2.888
   71    H    CYS   8           HN       CYS   8  -3.812  -5.679  -2.060
   72    HA   CYS   8           HA       CYS   8  -4.235  -8.223  -3.444
   73    HB2  CYS   8           HB2      CYS   8  -5.392  -8.970  -1.481
   74    HB3  CYS   8           HB1      CYS   8  -3.912  -8.180  -0.954
   75    H    GLY   9           HN       GLY   9  -5.747  -5.176  -2.845
   76    HA2  GLY   9           HA2      GLY   9  -7.731  -4.241  -3.519
   77    HA3  GLY   9           HA1      GLY   9  -7.406  -5.139  -4.986
   78    H    ILE  10           HN       ILE  10  -8.617  -5.918  -1.705
   79    HA   ILE  10           HA       ILE  10 -11.025  -6.976  -2.977
   80    HB   ILE  10           HB       ILE  10 -10.890  -8.923  -1.260
   81   HG12  ILE  10          HG12      ILE  10  -8.498  -9.708  -0.996
   82   HG13  ILE  10          HG11      ILE  10  -7.993  -8.095  -1.494
   83   HG21  ILE  10          HG21      ILE  10  -9.182  -8.863  -3.740
   84   HG22  ILE  10          HG22      ILE  10 -10.907  -9.223  -3.663
   85   HG23  ILE  10          HG23      ILE  10  -9.744 -10.319  -2.918
   86   HD11  ILE  10          HD11      ILE  10  -9.210  -7.159   0.413
   87   HD12  ILE  10          HD12      ILE  10  -7.927  -8.270   0.893
   88   HD13  ILE  10          HD13      ILE  10  -9.612  -8.795   0.937
   89    H    LYS  11           HN       LYS  11  -9.683  -5.165  -0.441
   90    HA   LYS  11           HA       LYS  11 -12.309  -5.024   0.831
   91    HB2  LYS  11           HB2      LYS  11 -11.356  -5.145   3.094
   92    HB3  LYS  11           HB1      LYS  11 -11.097  -6.635   2.201
   93    HG2  LYS  11           HG2      LYS  11  -8.815  -6.267   2.001
   94    HG3  LYS  11           HG1      LYS  11  -8.967  -4.535   2.285
   95    HD2  LYS  11           HD2      LYS  11  -7.968  -5.655   4.208
   96    HD3  LYS  11           HD1      LYS  11  -9.538  -4.969   4.623
   97    HE2  LYS  11           HE2      LYS  11  -9.355  -7.150   5.608
   98    HE3  LYS  11           HE1      LYS  11 -10.549  -7.205   4.312
   99    HZ1  LYS  11           HZ1      LYS  11  -7.731  -8.110   4.069
  100    HZ2  LYS  11           HZ2      LYS  11  -8.924  -8.225   2.877
  101    HZ3  LYS  11           HZ3      LYS  11  -9.063  -9.123   4.297
  102    H    GLU  12           HN       GLU  12 -11.186  -3.152  -0.893
  103    HA   GLU  12           HA       GLU  12 -10.814  -0.910  -1.107
  104    HB2  GLU  12           HB2      GLU  12 -12.716  -0.881   0.557
  105    HB3  GLU  12           HB1      GLU  12 -11.518  -0.752   1.832
  106    HG2  GLU  12           HG2      GLU  12 -10.758   1.377   0.893
  107    HG3  GLU  12           HG1      GLU  12 -11.980   1.248  -0.371
  108    H    PHE  13           HN       PHE  13  -9.443   0.980  -0.005
  109    HA   PHE  13           HA       PHE  13  -6.997  -0.225   1.076
  110    HB2  PHE  13           HB2      PHE  13  -5.779   1.579   0.183
  111    HB3  PHE  13           HB1      PHE  13  -6.931   1.158  -1.071
  112    HD1  PHE  13           HD1      PHE  13  -8.924   2.615  -1.441
  113    HD2  PHE  13           HD2      PHE  13  -5.775   3.704   1.212
  114    HE1  PHE  13           HE1      PHE  13  -9.667   4.957  -1.526
  115    HE2  PHE  13           HE2      PHE  13  -6.507   6.056   1.118
  116    HZ   PHE  13           HZ       PHE  13  -8.459   6.679  -0.246
  117    H    LYS  14           HN       LYS  14  -5.830   1.048   2.687
  118    HA   LYS  14           HA       LYS  14  -7.485   2.865   4.267
  119    HB2  LYS  14           HB2      LYS  14  -7.813   0.718   5.312
  120    HB3  LYS  14           HB1      LYS  14  -6.088   0.389   5.288
  121    HG2  LYS  14           HG2      LYS  14  -5.683   2.071   6.939
  122    HG3  LYS  14           HG1      LYS  14  -7.367   2.599   6.880
  123    HD2  LYS  14           HD2      LYS  14  -8.058   0.377   7.694
  124    HD3  LYS  14           HD1      LYS  14  -6.361  -0.094   7.801
  125    HE2  LYS  14           HE2      LYS  14  -7.625   2.199   9.299
  126    HE3  LYS  14           HE1      LYS  14  -7.308   0.602   9.974
  127    HZ1  LYS  14           HZ1      LYS  14  -4.972   0.929   9.671
  128    HZ2  LYS  14           HZ2      LYS  14  -5.588   2.255  10.518
  129    HZ3  LYS  14           HZ3      LYS  14  -5.221   2.401   8.877
  130    H    TYR  15           HN       TYR  15  -4.397   1.635   3.301
  131    HA   TYR  15           HA       TYR  15  -3.012   3.837   4.674
  132    HB2  TYR  15           HB2      TYR  15  -1.946   1.224   3.578
  133    HB3  TYR  15           HB1      TYR  15  -0.946   2.492   4.273
  134    HD1  TYR  15           HD2      TYR  15  -3.961   0.483   5.194
  135    HD2  TYR  15           HD1      TYR  15  -0.285   2.202   6.449
  136    HE1  TYR  15           HE2      TYR  15  -4.269  -0.509   7.411
  137    HE2  TYR  15           HE1      TYR  15  -0.578   1.209   8.681
  138    HH   TYR  15           HH       TYR  15  -2.295   0.349  10.100
  139    H    LYS  16           HN       LYS  16  -0.811   4.186   3.319
  140    HA   LYS  16           HA       LYS  16  -1.074   4.157   0.476
  141    HB2  LYS  16           HB2      LYS  16  -2.592   6.064   1.277
  142    HB3  LYS  16           HB1      LYS  16  -1.121   6.882   1.776
  143    HG2  LYS  16           HG2      LYS  16  -0.369   7.107  -0.450
  144    HG3  LYS  16           HG1      LYS  16  -1.571   5.957  -1.048
  145    HD2  LYS  16           HD2      LYS  16  -3.351   7.535  -0.300
  146    HD3  LYS  16           HD1      LYS  16  -2.086   8.696   0.099
  147    HE2  LYS  16           HE2      LYS  16  -2.440   7.505  -2.638
  148    HE3  LYS  16           HE1      LYS  16  -3.207   9.007  -2.131
  149    HZ1  LYS  16           HZ1      LYS  16  -0.277   8.525  -2.129
  150    HZ2  LYS  16           HZ2      LYS  16  -1.052   9.980  -1.762
  151    HZ3  LYS  16           HZ3      LYS  16  -1.114   9.363  -3.336
  152    H    CYS  17           HN       CYS  17   0.976   3.354   0.310
  153    HA   CYS  17           HA       CYS  17   3.107   3.882   1.989
  154    HB2  CYS  17           HB2      CYS  17   3.189   2.035   0.408
  155    HB3  CYS  17           HB1      CYS  17   3.239   3.160  -0.946
  156    HA   PRO  18           HA       PRO  18   4.138   8.133   1.261
  157    HB2  PRO  18           HB2      PRO  18   6.782   7.808   2.147
  158    HB3  PRO  18           HB1      PRO  18   5.396   8.274   3.136
  159    HG2  PRO  18           HG2      PRO  18   6.697   5.626   2.805
  160    HG3  PRO  18           HG1      PRO  18   5.907   6.325   4.229
  161    HD2  PRO  18           HD2      PRO  18   4.743   4.415   2.743
  162    HD3  PRO  18           HD1      PRO  18   3.800   5.704   3.521
  163    H    ARG  19           HN       ARG  19   5.986   5.432   0.020
  164    HA   ARG  19           HA       ARG  19   7.363   7.203  -1.870
  165    HB2  ARG  19           HB2      ARG  19   7.866   4.380  -0.977
  166    HB3  ARG  19           HB1      ARG  19   8.618   5.034  -2.422
  167    HG2  ARG  19           HG2      ARG  19   9.724   6.738  -1.136
  168    HG3  ARG  19           HG1      ARG  19   8.886   6.215   0.328
  169    HD2  ARG  19           HD2      ARG  19  11.249   5.400   0.080
  170    HD3  ARG  19           HD1      ARG  19  10.039   4.154   0.364
  171    HE   ARG  19           HE       ARG  19  10.139   3.932  -2.202
  172   HH11  ARG  19          HH11      ARG  19  12.881   4.775  -0.189
  173   HH12  ARG  19          HH12      ARG  19  14.030   3.958  -1.201
  174   HH21  ARG  19          HH21      ARG  19  11.652   2.866  -3.539
  175   HH22  ARG  19          HH22      ARG  19  13.335   2.886  -3.109
  176    H    CYS  20           HN       CYS  20   5.553   4.138  -1.856
  177    HA   CYS  20           HA       CYS  20   5.513   4.023  -4.716
  178    HB2  CYS  20           HB2      CYS  20   3.954   2.393  -2.712
  179    HB3  CYS  20           HB1      CYS  20   4.135   2.020  -4.421
  180    H    LEU  21           HN       LEU  21   3.516   5.352  -2.298
  181    HA   LEU  21           HA       LEU  21   1.532   6.400  -2.241
  182    HB2  LEU  21           HB2      LEU  21   1.681   6.467  -5.251
  183    HB3  LEU  21           HB1      LEU  21   0.643   7.447  -4.236
  184    HG   LEU  21           HG       LEU  21   3.568   7.708  -4.766
  185   HD11  LEU  21          HD11      LEU  21   2.952  10.068  -4.960
  186   HD12  LEU  21          HD12      LEU  21   1.288   9.659  -4.533
  187   HD13  LEU  21          HD13      LEU  21   1.993   9.044  -6.030
  188   HD21  LEU  21          HD21      LEU  21   3.513   7.555  -2.359
  189   HD22  LEU  21          HD22      LEU  21   2.183   8.710  -2.285
  190   HD23  LEU  21          HD23      LEU  21   3.773   9.234  -2.837
  191    H    VAL  22           HN       VAL  22   1.918   3.392  -3.250
  192    HA   VAL  22           HA       VAL  22  -0.619   2.737  -4.297
  193    HB   VAL  22           HB       VAL  22   1.383   1.279  -4.584
  194   HG11  VAL  22          HG11      VAL  22   2.292   1.481  -2.316
  195   HG12  VAL  22          HG12      VAL  22   2.091  -0.201  -2.803
  196   HG13  VAL  22          HG13      VAL  22   0.934   0.542  -1.699
  197   HG21  VAL  22          HG21      VAL  22   0.204  -0.856  -4.242
  198   HG22  VAL  22          HG22      VAL  22  -0.821   0.373  -4.985
  199   HG23  VAL  22          HG23      VAL  22  -1.003  -0.011  -3.272
  200    H    GLN  23           HN       GLN  23  -2.428   2.382  -3.316
  201    HA   GLN  23           HA       GLN  23  -2.573   3.006  -0.491
  202    HB2  GLN  23           HB2      GLN  23  -4.748   2.680  -2.566
  203    HB3  GLN  23           HB1      GLN  23  -4.978   3.275  -0.924
  204    HG2  GLN  23           HG2      GLN  23  -3.480   5.157  -1.409
  205    HG3  GLN  23           HG1      GLN  23  -3.301   4.577  -3.060
  206   HE21  GLN  23          HE21      GLN  23  -6.119   3.795  -3.245
  207   HE22  GLN  23          HE22      GLN  23  -7.009   5.271  -3.406
  208    H    THR  24           HN       THR  24  -2.087   1.286   0.689
  209    HA   THR  24           HA       THR  24  -3.044  -1.362  -0.023
  210    HB   THR  24           HB       THR  24  -1.699  -2.027   2.030
  211    HG1  THR  24           HG1      THR  24  -0.276  -0.451   2.843
  212   HG21  THR  24          HG21      THR  24  -0.831  -2.210  -0.262
  213   HG22  THR  24          HG22      THR  24   0.435  -1.826   0.901
  214   HG23  THR  24          HG23      THR  24  -0.209  -0.563  -0.149
  215    H    CYS  25           HN       CYS  25  -4.014  -2.724   1.689
  216    HA   CYS  25           HA       CYS  25  -6.119  -1.247   3.031
  217    HB2  CYS  25           HB2      CYS  25  -7.169  -3.408   3.382
  218    HB3  CYS  25           HB1      CYS  25  -6.660  -3.273   1.705
  219    H    SER  26           HN       SER  26  -3.180  -2.907   3.771
  220    HA   SER  26           HA       SER  26  -3.309  -2.114   6.520
  221    HB2  SER  26           HB2      SER  26  -3.421  -5.065   5.844
  222    HB3  SER  26           HB1      SER  26  -3.062  -4.425   7.443
  223    HG   SER  26           HG       SER  26  -5.363  -3.409   6.322
  224    H    LEU  27           HN       LEU  27  -1.301  -3.118   7.707
  225    HA   LEU  27           HA       LEU  27   0.985  -2.315   6.288
  226    HB2  LEU  27           HB2      LEU  27   0.691  -3.927   8.816
  227    HB3  LEU  27           HB1      LEU  27   2.232  -3.361   8.204
  228    HG   LEU  27           HG       LEU  27  -0.060  -1.561   8.993
  229   HD11  LEU  27          HD11      LEU  27   1.319  -1.001  10.935
  230   HD12  LEU  27          HD12      LEU  27   2.491  -2.228  10.455
  231   HD13  LEU  27          HD13      LEU  27   0.861  -2.704  10.933
  232   HD21  LEU  27          HD21      LEU  27   1.641   0.211   8.847
  233   HD22  LEU  27          HD22      LEU  27   1.356  -0.569   7.293
  234   HD23  LEU  27          HD23      LEU  27   2.797  -0.967   8.228
  235    H    GLU  28           HN       GLU  28  -0.503  -5.446   6.733
  236    HA   GLU  28           HA       GLU  28   1.501  -7.166   5.912
  237    HB2  GLU  28           HB2      GLU  28  -1.099  -7.460   6.562
  238    HB3  GLU  28           HB1      GLU  28  -1.213  -7.664   4.824
  239    HG2  GLU  28           HG2      GLU  28   0.596  -9.265   6.614
  240    HG3  GLU  28           HG1      GLU  28  -1.003  -9.776   6.089
  241    H    CYS  29           HN       CYS  29  -0.690  -5.199   3.966
  242    HA   CYS  29           HA       CYS  29   0.427  -6.183   1.506
  243    HB2  CYS  29           HB2      CYS  29  -1.753  -4.264   2.209
  244    HB3  CYS  29           HB1      CYS  29  -1.129  -4.335   0.568
  245    H    SER  30           HN       SER  30   0.923  -3.522   3.661
  246    HA   SER  30           HA       SER  30   2.215  -1.784   1.823
  247    HB2  SER  30           HB2      SER  30   2.526  -1.957   4.829
  248    HB3  SER  30           HB1      SER  30   3.022  -0.604   3.813
  249    HG   SER  30           HG       SER  30   0.994  -0.208   4.746
  250    H    LYS  31           HN       LYS  31   3.286  -4.440   3.865
  251    HA   LYS  31           HA       LYS  31   6.057  -4.001   3.084
  252    HB2  LYS  31           HB2      LYS  31   6.606  -5.780   4.619
  253    HB3  LYS  31           HB1      LYS  31   5.498  -4.667   5.406
  254    HG2  LYS  31           HG2      LYS  31   3.647  -6.221   4.926
  255    HG3  LYS  31           HG1      LYS  31   4.810  -7.351   4.232
  256    HD2  LYS  31           HD2      LYS  31   5.992  -7.409   6.401
  257    HD3  LYS  31           HD1      LYS  31   4.749  -6.356   7.077
  258    HE2  LYS  31           HE2      LYS  31   3.058  -8.081   6.461
  259    HE3  LYS  31           HE1      LYS  31   4.381  -9.137   5.983
  260    HZ1  LYS  31           HZ1      LYS  31   3.692  -9.669   8.192
  261    HZ2  LYS  31           HZ2      LYS  31   3.865  -8.067   8.695
  262    HZ3  LYS  31           HZ3      LYS  31   5.230  -8.970   8.270
  263    H    LYS  32           HN       LYS  32   3.434  -5.337   1.705
  264    HA   LYS  32           HA       LYS  32   4.473  -7.804   0.705
  265    HB2  LYS  32           HB2      LYS  32   1.997  -6.685   0.864
  266    HB3  LYS  32           HB1      LYS  32   2.356  -6.453  -0.837
  267    HG2  LYS  32           HG2      LYS  32   1.146  -8.503  -0.552
  268    HG3  LYS  32           HG1      LYS  32   2.808  -8.876  -1.024
  269    HD2  LYS  32           HD2      LYS  32   3.392  -9.449   1.212
  270    HD3  LYS  32           HD1      LYS  32   1.864  -8.831   1.831
  271    HE2  LYS  32           HE2      LYS  32   1.930 -11.060  -0.163
  272    HE3  LYS  32           HE1      LYS  32   2.158 -11.376   1.557
  273    HZ1  LYS  32           HZ1      LYS  32   0.024 -10.309   1.991
  274    HZ2  LYS  32           HZ2      LYS  32  -0.150 -11.625   0.937
  275    HZ3  LYS  32           HZ3      LYS  32  -0.200 -10.049   0.329
  276    H    HIS  33           HN       HIS  33   4.176  -4.508  -0.527
  277    HA   HIS  33           HA       HIS  33   5.188  -5.218  -3.116
  278    HB2  HIS  33           HB2      HIS  33   5.071  -2.847  -3.635
  279    HB3  HIS  33           HB1      HIS  33   3.592  -3.360  -2.838
  280    HD1  HIS  33           HD1      HIS  33   2.809  -1.465  -1.410
  281    HD2  HIS  33           HD2      HIS  33   6.929  -1.914  -1.291
  282    HE1  HIS  33           HE1      HIS  33   3.676   0.311   0.167
  283    H    LYS  34           HN       LYS  34   6.616  -4.664  -0.128
  284    HA   LYS  34           HA       LYS  34   8.877  -3.144  -0.974
  285    HB2  LYS  34           HB2      LYS  34   8.425  -4.761   1.542
  286    HB3  LYS  34           HB1      LYS  34   9.766  -3.650   1.281
  287    HG2  LYS  34           HG2      LYS  34   8.140  -1.811   1.002
  288    HG3  LYS  34           HG1      LYS  34   6.842  -2.941   1.378
  289    HD2  LYS  34           HD2      LYS  34   7.874  -3.347   3.585
  290    HD3  LYS  34           HD1      LYS  34   9.117  -2.154   3.199
  291    HE2  LYS  34           HE2      LYS  34   7.394  -0.432   2.967
  292    HE3  LYS  34           HE1      LYS  34   6.150  -1.622   3.344
  293    HZ1  LYS  34           HZ1      LYS  34   6.673  -0.328   5.284
  294    HZ2  LYS  34           HZ2      LYS  34   8.315  -0.708   5.160
  295    HZ3  LYS  34           HZ3      LYS  34   7.193  -1.917   5.528
  296    H    THR  35           HN       THR  35   8.026  -6.427  -1.090
  297    HA   THR  35           HA       THR  35  10.808  -7.291  -1.324
  298    HB   THR  35           HB       THR  35   9.246  -8.524   0.190
  299    HG1  THR  35           HG1      THR  35  10.633  -9.735  -1.941
  300   HG21  THR  35          HG21      THR  35   7.609 -10.060  -0.816
  301   HG22  THR  35          HG22      THR  35   7.930  -9.348  -2.398
  302   HG23  THR  35          HG23      THR  35   7.205  -8.371  -1.120
  303    H    ARG  36           HN       ARG  36   8.617  -6.024  -3.343
  304    HA   ARG  36           HA       ARG  36   9.525  -7.672  -5.597
  305    HB2  ARG  36           HB2      ARG  36   7.234  -7.468  -6.599
  306    HB3  ARG  36           HB1      ARG  36   7.328  -8.487  -5.169
  307    HG2  ARG  36           HG2      ARG  36   6.491  -6.604  -3.815
  308    HG3  ARG  36           HG1      ARG  36   6.306  -5.661  -5.295
  309    HD2  ARG  36           HD2      ARG  36   4.182  -6.633  -4.651
  310    HD3  ARG  36           HD1      ARG  36   4.747  -7.349  -6.158
  311    HE   ARG  36           HE       ARG  36   5.644  -9.132  -4.422
  312   HH11  ARG  36          HH11      ARG  36   2.530  -7.539  -4.556
  313   HH12  ARG  36          HH12      ARG  36   1.676  -8.882  -3.863
  314   HH21  ARG  36          HH21      ARG  36   4.524 -10.892  -3.510
  315   HH22  ARG  36          HH22      ARG  36   2.809 -10.786  -3.261
  316    H    ASP  37           HN       ASP  37   8.518  -4.556  -4.401
  317    HA   ASP  37           HA       ASP  37   9.221  -3.363  -6.992
  318    HB2  ASP  37           HB2      ASP  37   7.483  -2.357  -4.745
  319    HB3  ASP  37           HB1      ASP  37   8.086  -1.291  -6.006
  320    H    ASN  38           HN       ASN  38  10.537  -4.062  -4.103
  321    HA   ASN  38           HA       ASN  38  12.309  -3.374  -2.880
  322    HB2  ASN  38           HB2      ASN  38  13.483  -3.358  -5.026
  323    HB3  ASN  38           HB1      ASN  38  12.935  -1.715  -5.332
  324   HD21  ASN  38          HD21      ASN  38  15.019  -3.725  -3.380
  325   HD22  ASN  38          HD22      ASN  38  16.065  -2.452  -2.848
  326    H    CYS  39           HN       CYS  39  11.390  -2.350  -1.199
  327    HA   CYS  39           HA       CYS  39  11.420   0.519  -1.122
  328    HB2  CYS  39           HB2      CYS  39   9.319   0.122  -2.329
  329    HB3  CYS  39           HB1      CYS  39   8.781  -0.961  -1.056
  330    H    SER  40           HN       SER  40  11.238   1.299   1.003
  331    HA   SER  40           HA       SER  40  10.794  -0.728   3.084
  332    HB2  SER  40           HB2      SER  40  12.560   1.721   3.316
  333    HB3  SER  40           HB1      SER  40  12.358   0.447   4.515
  334    HG   SER  40           HG       SER  40  13.313  -1.006   3.062
  335    H    GLY  41           HN       GLY  41   9.958   2.286   1.729
  336    HA2  GLY  41           HA2      GLY  41   8.005   3.483   2.051
  337    HA3  GLY  41           HA1      GLY  41   7.644   2.467   3.435
  338    H    GLN  42           HN       GLN  42  10.449   4.551   2.747
  339    HA   GLN  42           HA       GLN  42   9.765   6.130   5.125
  340    HB2  GLN  42           HB2      GLN  42  12.505   4.991   4.550
  341    HB3  GLN  42           HB1      GLN  42  12.096   6.063   5.878
  342    HG2  GLN  42           HG2      GLN  42  10.615   4.339   6.797
  343    HG3  GLN  42           HG1      GLN  42  11.071   3.262   5.477
  344   HE21  GLN  42          HE21      GLN  42  13.170   2.430   5.412
  345   HE22  GLN  42          HE22      GLN  42  14.186   2.412   6.805
  346    H    THR  43           HN       THR  43   9.189   7.855   3.780
  347    HA   THR  43           HA       THR  43  11.061   8.897   1.867
  348    HB   THR  43           HB       THR  43   9.419  10.893   1.932
  349    HG1  THR  43           HG1      THR  43   8.298  10.560   3.794
  350   HG21  THR  43          HG21      THR  43   8.485   8.144   1.108
  351   HG22  THR  43          HG22      THR  43   9.444   9.255   0.134
  352   HG23  THR  43          HG23      THR  43   7.782   9.663   0.557
  353    H    HIS  44           HN       HIS  44  12.324  10.731   2.067
  354    HA   HIS  44           HA       HIS  44  12.724  11.663   4.834
  355    HB2  HIS  44           HB2      HIS  44  14.761  11.595   2.592
  356    HB3  HIS  44           HB1      HIS  44  15.061  12.063   4.262
  357    HD1  HIS  44           HD1      HIS  44  15.355   9.265   2.052
  358    HD2  HIS  44           HD2      HIS  44  14.515   9.737   6.092
  359    HE1  HIS  44           HE1      HIS  44  15.788   7.022   3.098
  360    HE2  HIS  44           HE2      HIS  44  15.110   7.291   5.509
  361    H    ASP  45           HN       ASP  45  10.765  12.785   3.240
  362    HA   ASP  45           HA       ASP  45  11.832  15.483   2.825
  363    HB2  ASP  45           HB2      ASP  45  11.621  14.407   0.603
  364    HB3  ASP  45           HB1      ASP  45   9.919  14.097   0.930
  Start of MODEL   12
    1    H1   GLY  -2           HT1      GLY  -2 -22.054  14.729  -1.156
    2    H2   GLY  -2           HT2      GLY  -2 -21.411  13.290  -0.546
    3    H3   GLY  -2           HT3      GLY  -2 -22.928  13.290  -1.291
    4    HA2  GLY  -2           HA1      GLY  -2 -21.951  13.857  -3.402
    5    HA3  GLY  -2           HA2      GLY  -2 -20.366  13.908  -2.642
    6    HA   PRO  -1           HA       PRO  -1 -21.106   9.612  -4.353
    7    HB2  PRO  -1           HB2      PRO  -1 -18.670   9.442  -5.578
    8    HB3  PRO  -1           HB1      PRO  -1 -20.121  10.060  -6.375
    9    HG2  PRO  -1           HG2      PRO  -1 -17.868  11.568  -5.110
   10    HG3  PRO  -1           HG1      PRO  -1 -18.716  11.892  -6.633
   11    HD2  PRO  -1           HD2      PRO  -1 -19.252  13.262  -4.374
   12    HD3  PRO  -1           HD1      PRO  -1 -20.510  12.883  -5.569
   13    H    HIS   0           HN       HIS   0 -20.354   7.787  -3.372
   14    HA   HIS   0           HA       HIS   0 -18.543   8.156  -1.142
   15    HB2  HIS   0           HB2      HIS   0 -19.147   5.856  -0.507
   16    HB3  HIS   0           HB1      HIS   0 -20.574   6.847  -0.760
   17    HD1  HIS   0           HD1      HIS   0 -19.291   3.613  -1.483
   18    HD2  HIS   0           HD2      HIS   0 -21.664   6.330  -3.546
   19    HE1  HIS   0           HE1      HIS   0 -20.486   2.272  -3.239
   20    HE2  HIS   0           HE2      HIS   0 -21.750   3.970  -4.597
   21    H    MET   1           HN       MET   1 -16.833   8.701  -2.702
   22    HA   MET   1           HA       MET   1 -15.770   6.824  -4.513
   23    HB2  MET   1           HB2      MET   1 -14.386   9.139  -3.144
   24    HB3  MET   1           HB1      MET   1 -13.782   8.275  -4.549
   25    HG2  MET   1           HG2      MET   1 -15.717   9.023  -5.841
   26    HG3  MET   1           HG1      MET   1 -16.314   9.895  -4.432
   27    HE1  MET   1           HE1      MET   1 -12.479  10.978  -6.763
   28    HE2  MET   1           HE2      MET   1 -13.560   9.646  -7.174
   29    HE3  MET   1           HE3      MET   1 -12.568   9.560  -5.719
   30    H    ALA   2           HN       ALA   2 -14.768   5.003  -4.113
   31    HA   ALA   2           HA       ALA   2 -13.021   4.830  -1.765
   32    HB1  ALA   2           HB1      ALA   2 -14.950   2.682  -2.641
   33    HB2  ALA   2           HB2      ALA   2 -15.103   3.685  -1.199
   34    HB3  ALA   2           HB3      ALA   2 -13.769   2.542  -1.341
   35    H    VAL   3           HN       VAL   3 -11.313   3.286  -1.983
   36    HA   VAL   3           HA       VAL   3 -10.807   2.427  -4.746
   37    HB   VAL   3           HB       VAL   3  -8.773   3.678  -2.883
   38   HG11  VAL   3          HG11      VAL   3  -7.207   3.448  -4.766
   39   HG12  VAL   3          HG12      VAL   3  -8.432   2.546  -5.658
   40   HG13  VAL   3          HG13      VAL   3  -7.765   1.888  -4.163
   41   HG21  VAL   3          HG21      VAL   3  -9.914   4.659  -5.497
   42   HG22  VAL   3          HG22      VAL   3  -8.609   5.430  -4.596
   43   HG23  VAL   3          HG23      VAL   3 -10.227   5.336  -3.900
   44    H    LEU   4           HN       LEU   4 -10.235   0.362  -4.916
   45    HA   LEU   4           HA       LEU   4  -9.998  -1.276  -2.584
   46    HB2  LEU   4           HB2      LEU   4  -9.656  -1.849  -5.520
   47    HB3  LEU   4           HB1      LEU   4  -9.452  -3.072  -4.283
   48    HG   LEU   4           HG       LEU   4 -11.998  -1.548  -4.840
   49   HD11  LEU   4          HD11      LEU   4 -12.833  -3.688  -5.655
   50   HD12  LEU   4          HD12      LEU   4 -11.253  -4.419  -5.380
   51   HD13  LEU   4          HD13      LEU   4 -11.440  -3.152  -6.593
   52   HD21  LEU   4          HD21      LEU   4 -13.003  -3.186  -3.275
   53   HD22  LEU   4          HD22      LEU   4 -11.855  -2.098  -2.496
   54   HD23  LEU   4          HD23      LEU   4 -11.381  -3.757  -2.873
   55    H    CYS   5           HN       CYS   5  -8.262  -2.302  -1.800
   56    HA   CYS   5           HA       CYS   5  -5.789  -1.183  -1.631
   57    HB2  CYS   5           HB2      CYS   5  -6.683  -3.010  -0.239
   58    HB3  CYS   5           HB1      CYS   5  -6.469  -4.124  -1.573
   59    H    GLY   6           HN       GLY   6  -4.145  -0.888  -2.991
   60    HA2  GLY   6           HA2      GLY   6  -4.260  -1.664  -5.692
   61    HA3  GLY   6           HA1      GLY   6  -2.861  -0.978  -4.888
   62    H    VAL   7           HN       VAL   7  -2.988  -3.340  -2.961
   63    HA   VAL   7           HA       VAL   7  -1.271  -5.023  -4.589
   64    HB   VAL   7           HB       VAL   7  -1.834  -5.063  -1.622
   65   HG11  VAL   7          HG11      VAL   7  -1.330  -7.313  -2.416
   66   HG12  VAL   7          HG12      VAL   7   0.004  -6.671  -1.454
   67   HG13  VAL   7          HG13      VAL   7   0.127  -6.718  -3.213
   68   HG21  VAL   7          HG21      VAL   7   0.594  -4.205  -3.197
   69   HG22  VAL   7          HG22      VAL   7   0.468  -4.239  -1.437
   70   HG23  VAL   7          HG23      VAL   7  -0.541  -3.136  -2.374
   71    H    CYS   8           HN       CYS   8  -3.845  -5.747  -2.211
   72    HA   CYS   8           HA       CYS   8  -4.177  -8.343  -3.485
   73    HB2  CYS   8           HB2      CYS   8  -5.389  -9.006  -1.516
   74    HB3  CYS   8           HB1      CYS   8  -3.943  -8.150  -0.997
   75    H    GLY   9           HN       GLY   9  -5.940  -5.364  -2.941
   76    HA2  GLY   9           HA2      GLY   9  -7.882  -4.545  -3.838
   77    HA3  GLY   9           HA1      GLY   9  -7.517  -5.582  -5.204
   78    H    ILE  10           HN       ILE  10  -8.562  -6.215  -1.844
   79    HA   ILE  10           HA       ILE  10 -10.946  -7.495  -2.987
   80    HB   ILE  10           HB       ILE  10 -10.851  -9.057  -0.952
   81   HG12  ILE  10          HG12      ILE  10  -8.467  -9.594  -0.279
   82   HG13  ILE  10          HG11      ILE  10  -7.995  -8.070  -1.020
   83   HG21  ILE  10          HG21      ILE  10  -8.874  -9.329  -3.208
   84   HG22  ILE  10          HG22      ILE  10 -10.565  -9.830  -3.216
   85   HG23  ILE  10          HG23      ILE  10  -9.409 -10.644  -2.163
   86   HD11  ILE  10          HD11      ILE  10  -8.207  -7.808   1.358
   87   HD12  ILE  10          HD12      ILE  10  -9.859  -8.422   1.313
   88   HD13  ILE  10          HD13      ILE  10  -9.469  -6.882   0.541
   89    H    LYS  11           HN       LYS  11  -9.900  -4.992  -1.184
   90    HA   LYS  11           HA       LYS  11 -12.478  -4.443  -0.124
   91    HB2  LYS  11           HB2      LYS  11 -12.068  -4.532   2.204
   92    HB3  LYS  11           HB1      LYS  11 -11.501  -6.066   1.569
   93    HG2  LYS  11           HG2      LYS  11  -9.190  -5.162   1.590
   94    HG3  LYS  11           HG1      LYS  11  -9.813  -3.704   2.365
   95    HD2  LYS  11           HD2      LYS  11  -9.941  -6.516   3.458
   96    HD3  LYS  11           HD1      LYS  11  -8.893  -5.217   4.027
   97    HE2  LYS  11           HE2      LYS  11 -11.907  -5.267   4.144
   98    HE3  LYS  11           HE1      LYS  11 -10.806  -5.481   5.502
   99    HZ1  LYS  11           HZ1      LYS  11 -11.638  -3.245   5.470
  100    HZ2  LYS  11           HZ2      LYS  11 -11.136  -3.020   3.876
  101    HZ3  LYS  11           HZ3      LYS  11  -9.989  -3.217   5.102
  102    H    GLU  12           HN       GLU  12 -12.336  -2.396   1.318
  103    HA   GLU  12           HA       GLU  12 -11.179  -0.353  -0.213
  104    HB2  GLU  12           HB2      GLU  12 -13.162  -0.193   1.374
  105    HB3  GLU  12           HB1      GLU  12 -11.993  -0.111   2.685
  106    HG2  GLU  12           HG2      GLU  12 -10.990   1.877   1.513
  107    HG3  GLU  12           HG1      GLU  12 -12.392   1.849   0.446
  108    H    PHE  13           HN       PHE  13  -9.443   1.010   0.161
  109    HA   PHE  13           HA       PHE  13  -7.172  -0.189   1.440
  110    HB2  PHE  13           HB2      PHE  13  -5.898   1.541   0.468
  111    HB3  PHE  13           HB1      PHE  13  -7.167   1.217  -0.705
  112    HD1  PHE  13           HD2      PHE  13  -9.094   2.784  -0.893
  113    HD2  PHE  13           HD1      PHE  13  -5.695   3.648   1.521
  114    HE1  PHE  13           HE2      PHE  13  -9.732   5.160  -0.853
  115    HE2  PHE  13           HE1      PHE  13  -6.317   6.030   1.549
  116    HZ   PHE  13           HZ       PHE  13  -8.344   6.786   0.370
  117    H    LYS  14           HN       LYS  14  -5.854   0.909   3.028
  118    HA   LYS  14           HA       LYS  14  -7.260   2.880   4.669
  119    HB2  LYS  14           HB2      LYS  14  -7.704   0.751   5.730
  120    HB3  LYS  14           HB1      LYS  14  -6.001   0.329   5.675
  121    HG2  LYS  14           HG2      LYS  14  -5.463   2.004   7.287
  122    HG3  LYS  14           HG1      LYS  14  -7.106   2.646   7.241
  123    HD2  LYS  14           HD2      LYS  14  -7.952   0.546   8.167
  124    HD3  LYS  14           HD1      LYS  14  -6.311  -0.107   8.189
  125    HE2  LYS  14           HE2      LYS  14  -5.621   1.586   9.769
  126    HE3  LYS  14           HE1      LYS  14  -7.204   2.352   9.686
  127    HZ1  LYS  14           HZ1      LYS  14  -6.668  -0.381  10.708
  128    HZ2  LYS  14           HZ2      LYS  14  -8.179   0.372  10.653
  129    HZ3  LYS  14           HZ3      LYS  14  -6.969   0.981  11.660
  130    H    TYR  15           HN       TYR  15  -4.459   1.777   3.173
  131    HA   TYR  15           HA       TYR  15  -2.830   3.751   4.625
  132    HB2  TYR  15           HB2      TYR  15  -1.992   1.058   3.542
  133    HB3  TYR  15           HB1      TYR  15  -0.866   2.282   4.115
  134    HD1  TYR  15           HD2      TYR  15  -3.783   0.249   5.230
  135    HD2  TYR  15           HD1      TYR  15  -0.249   2.327   6.327
  136    HE1  TYR  15           HE2      TYR  15  -3.981  -0.638   7.523
  137    HE2  TYR  15           HE1      TYR  15  -0.429   1.453   8.617
  138    HH   TYR  15           HH       TYR  15  -2.507  -1.086   9.458
  139    H    LYS  16           HN       LYS  16  -0.778   4.204   3.245
  140    HA   LYS  16           HA       LYS  16  -1.146   4.142   0.394
  141    HB2  LYS  16           HB2      LYS  16  -2.593   6.064   1.288
  142    HB3  LYS  16           HB1      LYS  16  -1.085   6.850   1.728
  143    HG2  LYS  16           HG2      LYS  16  -0.397   6.890  -0.599
  144    HG3  LYS  16           HG1      LYS  16  -1.870   6.032  -1.066
  145    HD2  LYS  16           HD2      LYS  16  -3.070   7.996   0.153
  146    HD3  LYS  16           HD1      LYS  16  -1.537   8.837  -0.078
  147    HE2  LYS  16           HE2      LYS  16  -1.688   8.400  -2.494
  148    HE3  LYS  16           HE1      LYS  16  -3.246   7.610  -2.235
  149    HZ1  LYS  16           HZ1      LYS  16  -3.614   9.848  -2.937
  150    HZ2  LYS  16           HZ2      LYS  16  -2.599  10.464  -1.735
  151    HZ3  LYS  16           HZ3      LYS  16  -4.063   9.732  -1.311
  152    H    CYS  17           HN       CYS  17   0.879   3.300   0.154
  153    HA   CYS  17           HA       CYS  17   3.116   3.848   1.675
  154    HB2  CYS  17           HB2      CYS  17   3.111   1.989   0.112
  155    HB3  CYS  17           HB1      CYS  17   3.034   3.100  -1.256
  156    HA   PRO  18           HA       PRO  18   4.139   8.061   0.677
  157    HB2  PRO  18           HB2      PRO  18   6.713   7.951   1.657
  158    HB3  PRO  18           HB1      PRO  18   5.276   8.216   2.650
  159    HG2  PRO  18           HG2      PRO  18   6.824   5.708   2.170
  160    HG3  PRO  18           HG1      PRO  18   6.101   6.311   3.673
  161    HD2  PRO  18           HD2      PRO  18   4.954   4.364   2.217
  162    HD3  PRO  18           HD1      PRO  18   3.992   5.564   3.102
  163    H    ARG  19           HN       ARG  19   5.951   5.270  -0.349
  164    HA   ARG  19           HA       ARG  19   7.471   6.832  -2.303
  165    HB2  ARG  19           HB2      ARG  19   7.643   4.014  -1.293
  166    HB3  ARG  19           HB1      ARG  19   8.371   4.440  -2.832
  167    HG2  ARG  19           HG2      ARG  19   9.740   6.130  -1.711
  168    HG3  ARG  19           HG1      ARG  19   9.015   5.672  -0.166
  169    HD2  ARG  19           HD2      ARG  19  11.283   4.665  -0.732
  170    HD3  ARG  19           HD1      ARG  19  10.025   3.565  -0.180
  171    HE   ARG  19           HE       ARG  19   9.713   3.233  -2.747
  172   HH11  ARG  19          HH11      ARG  19  12.773   3.762  -1.124
  173   HH12  ARG  19          HH12      ARG  19  13.662   2.722  -2.189
  174   HH21  ARG  19          HH21      ARG  19  10.881   1.816  -4.129
  175   HH22  ARG  19          HH22      ARG  19  12.591   1.619  -3.891
  176    H    CYS  20           HN       CYS  20   5.353   3.985  -2.238
  177    HA   CYS  20           HA       CYS  20   5.303   3.883  -5.115
  178    HB2  CYS  20           HB2      CYS  20   3.770   2.221  -3.112
  179    HB3  CYS  20           HB1      CYS  20   3.979   1.855  -4.817
  180    H    LEU  21           HN       LEU  21   3.415   5.244  -2.639
  181    HA   LEU  21           HA       LEU  21   1.409   6.249  -2.479
  182    HB2  LEU  21           HB2      LEU  21   1.475   6.401  -5.487
  183    HB3  LEU  21           HB1      LEU  21   0.452   7.341  -4.423
  184    HG   LEU  21           HG       LEU  21   3.352   7.658  -5.036
  185   HD11  LEU  21          HD11      LEU  21   2.698  10.013  -5.107
  186   HD12  LEU  21          HD12      LEU  21   1.061   9.566  -4.625
  187   HD13  LEU  21          HD13      LEU  21   1.703   9.022  -6.175
  188   HD21  LEU  21          HD21      LEU  21   3.622   9.098  -3.055
  189   HD22  LEU  21          HD22      LEU  21   3.390   7.400  -2.635
  190   HD23  LEU  21          HD23      LEU  21   2.056   8.544  -2.461
  191    H    VAL  22           HN       VAL  22   1.725   3.290  -3.207
  192    HA   VAL  22           HA       VAL  22  -0.789   2.618  -4.371
  193    HB   VAL  22           HB       VAL  22   1.182   1.132  -4.622
  194   HG11  VAL  22          HG11      VAL  22   2.144   1.404  -2.395
  195   HG12  VAL  22          HG12      VAL  22   1.898  -0.296  -2.792
  196   HG13  VAL  22          HG13      VAL  22   0.785   0.526  -1.700
  197   HG21  VAL  22          HG21      VAL  22   0.004  -0.982  -4.198
  198   HG22  VAL  22          HG22      VAL  22  -1.038   0.227  -4.948
  199   HG23  VAL  22          HG23      VAL  22  -1.181  -0.110  -3.223
  200    H    GLN  23           HN       GLN  23  -2.612   2.379  -3.395
  201    HA   GLN  23           HA       GLN  23  -2.775   2.985  -0.567
  202    HB2  GLN  23           HB2      GLN  23  -4.956   2.600  -2.632
  203    HB3  GLN  23           HB1      GLN  23  -5.166   3.256  -1.011
  204    HG2  GLN  23           HG2      GLN  23  -3.841   5.171  -1.537
  205    HG3  GLN  23           HG1      GLN  23  -3.381   4.490  -3.094
  206   HE21  GLN  23          HE21      GLN  23  -6.612   4.318  -1.797
  207   HE22  GLN  23          HE22      GLN  23  -7.330   5.410  -2.926
  208    H    THR  24           HN       THR  24  -2.201   1.249   0.557
  209    HA   THR  24           HA       THR  24  -3.203  -1.389  -0.121
  210    HB   THR  24           HB       THR  24  -1.795  -2.027   1.921
  211    HG1  THR  24           HG1      THR  24  -0.314  -0.435   2.596
  212   HG21  THR  24          HG21      THR  24  -1.023  -2.329  -0.382
  213   HG22  THR  24          HG22      THR  24   0.303  -1.856   0.678
  214   HG23  THR  24          HG23      THR  24  -0.426  -0.669  -0.403
  215    H    CYS  25           HN       CYS  25  -4.184  -2.736   1.539
  216    HA   CYS  25           HA       CYS  25  -6.239  -1.258   2.951
  217    HB2  CYS  25           HB2      CYS  25  -7.340  -3.397   3.229
  218    HB3  CYS  25           HB1      CYS  25  -6.790  -3.261   1.570
  219    H    SER  26           HN       SER  26  -3.309  -2.947   3.612
  220    HA   SER  26           HA       SER  26  -3.427  -2.264   6.391
  221    HB2  SER  26           HB2      SER  26  -3.478  -5.190   5.596
  222    HB3  SER  26           HB1      SER  26  -3.163  -4.595   7.224
  223    HG   SER  26           HG       SER  26  -5.436  -3.515   6.211
  224    H    LEU  27           HN       LEU  27  -1.395  -3.078   7.527
  225    HA   LEU  27           HA       LEU  27   0.876  -2.266   6.128
  226    HB2  LEU  27           HB2      LEU  27   0.608  -3.961   8.608
  227    HB3  LEU  27           HB1      LEU  27   2.138  -3.341   8.019
  228    HG   LEU  27           HG       LEU  27  -0.183  -1.575   8.790
  229   HD11  LEU  27          HD11      LEU  27   2.241  -2.360  10.406
  230   HD12  LEU  27          HD12      LEU  27   0.574  -2.831  10.736
  231   HD13  LEU  27          HD13      LEU  27   1.053  -1.139  10.857
  232   HD21  LEU  27          HD21      LEU  27   1.389  -0.560   7.235
  233   HD22  LEU  27          HD22      LEU  27   2.736  -1.004   8.283
  234   HD23  LEU  27          HD23      LEU  27   1.542   0.171   8.833
  235    H    GLU  28           HN       GLU  28  -0.479  -5.465   6.614
  236    HA   GLU  28           HA       GLU  28   1.624  -7.053   5.748
  237    HB2  GLU  28           HB2      GLU  28  -0.506  -7.833   6.781
  238    HB3  GLU  28           HB1      GLU  28  -1.313  -7.535   5.249
  239    HG2  GLU  28           HG2      GLU  28   0.076  -9.198   4.165
  240    HG3  GLU  28           HG1      GLU  28   0.954  -9.468   5.671
  241    H    CYS  29           HN       CYS  29  -0.650  -5.150   3.876
  242    HA   CYS  29           HA       CYS  29   0.319  -6.260   1.381
  243    HB2  CYS  29           HB2      CYS  29  -1.819  -4.290   2.106
  244    HB3  CYS  29           HB1      CYS  29  -1.257  -4.426   0.448
  245    H    SER  30           HN       SER  30   0.814  -3.486   3.413
  246    HA   SER  30           HA       SER  30   2.136  -1.856   1.503
  247    HB2  SER  30           HB2      SER  30   2.512  -1.889   4.507
  248    HB3  SER  30           HB1      SER  30   2.893  -0.562   3.409
  249    HG   SER  30           HG       SER  30   0.881  -0.280   4.476
  250    H    LYS  31           HN       LYS  31   3.167  -4.415   3.673
  251    HA   LYS  31           HA       LYS  31   5.957  -4.080   2.980
  252    HB2  LYS  31           HB2      LYS  31   6.336  -6.015   4.423
  253    HB3  LYS  31           HB1      LYS  31   5.330  -4.822   5.231
  254    HG2  LYS  31           HG2      LYS  31   3.347  -6.134   4.746
  255    HG3  LYS  31           HG1      LYS  31   4.328  -7.318   3.885
  256    HD2  LYS  31           HD2      LYS  31   4.727  -6.615   6.787
  257    HD3  LYS  31           HD1      LYS  31   3.709  -7.946   6.237
  258    HE2  LYS  31           HE2      LYS  31   6.650  -7.650   5.633
  259    HE3  LYS  31           HE1      LYS  31   5.975  -8.668   6.902
  260    HZ1  LYS  31           HZ1      LYS  31   4.762  -9.894   5.171
  261    HZ2  LYS  31           HZ2      LYS  31   6.436  -9.986   4.967
  262    HZ3  LYS  31           HZ3      LYS  31   5.520  -8.963   3.982
  263    H    LYS  32           HN       LYS  32   3.274  -5.565   1.620
  264    HA   LYS  32           HA       LYS  32   4.394  -7.954   0.605
  265    HB2  LYS  32           HB2      LYS  32   1.902  -7.128   0.792
  266    HB3  LYS  32           HB1      LYS  32   2.198  -6.504  -0.823
  267    HG2  LYS  32           HG2      LYS  32   1.233  -8.598  -1.159
  268    HG3  LYS  32           HG1      LYS  32   2.962  -8.869  -1.404
  269    HD2  LYS  32           HD2      LYS  32   3.163  -9.728   0.866
  270    HD3  LYS  32           HD1      LYS  32   1.454  -9.406   1.154
  271    HE2  LYS  32           HE2      LYS  32   1.728 -11.739   0.687
  272    HE3  LYS  32           HE1      LYS  32   0.901 -10.984  -0.675
  273    HZ1  LYS  32           HZ1      LYS  32   2.621 -12.513  -1.401
  274    HZ2  LYS  32           HZ2      LYS  32   3.794 -11.634  -0.561
  275    HZ3  LYS  32           HZ3      LYS  32   2.992 -10.932  -1.870
  276    H    HIS  33           HN       HIS  33   4.175  -4.658  -0.625
  277    HA   HIS  33           HA       HIS  33   5.245  -5.409  -3.202
  278    HB2  HIS  33           HB2      HIS  33   5.032  -3.074  -3.805
  279    HB3  HIS  33           HB1      HIS  33   3.566  -3.590  -2.988
  280    HD1  HIS  33           HD1      HIS  33   2.730  -1.697  -1.576
  281    HD2  HIS  33           HD2      HIS  33   6.868  -1.946  -1.574
  282    HE1  HIS  33           HE1      HIS  33   3.560   0.168  -0.077
  283    H    LYS  34           HN       LYS  34   6.577  -4.781  -0.192
  284    HA   LYS  34           HA       LYS  34   8.808  -3.187  -1.000
  285    HB2  LYS  34           HB2      LYS  34   8.333  -4.786   1.520
  286    HB3  LYS  34           HB1      LYS  34   9.683  -3.686   1.273
  287    HG2  LYS  34           HG2      LYS  34   8.087  -1.836   0.968
  288    HG3  LYS  34           HG1      LYS  34   6.762  -2.951   1.307
  289    HD2  LYS  34           HD2      LYS  34   7.711  -3.378   3.534
  290    HD3  LYS  34           HD1      LYS  34   9.017  -2.247   3.183
  291    HE2  LYS  34           HE2      LYS  34   7.420  -0.433   2.958
  292    HE3  LYS  34           HE1      LYS  34   6.081  -1.544   3.239
  293    HZ1  LYS  34           HZ1      LYS  34   6.611  -0.345   5.245
  294    HZ2  LYS  34           HZ2      LYS  34   8.223  -0.843   5.178
  295    HZ3  LYS  34           HZ3      LYS  34   7.000  -1.974   5.457
  296    H    THR  35           HN       THR  35   8.110  -6.547  -0.928
  297    HA   THR  35           HA       THR  35  10.861  -7.401  -0.957
  298    HB   THR  35           HB       THR  35   9.013  -8.731   0.088
  299    HG1  THR  35           HG1      THR  35  11.029  -9.604  -1.471
  300   HG21  THR  35          HG21      THR  35   7.588 -10.098  -1.358
  301   HG22  THR  35          HG22      THR  35   8.252  -9.287  -2.777
  302   HG23  THR  35          HG23      THR  35   7.295  -8.376  -1.608
  303    H    ARG  36           HN       ARG  36   8.996  -5.961  -3.232
  304    HA   ARG  36           HA       ARG  36  10.451  -7.298  -5.409
  305    HB2  ARG  36           HB2      ARG  36   8.442  -6.856  -6.865
  306    HB3  ARG  36           HB1      ARG  36   8.223  -8.090  -5.635
  307    HG2  ARG  36           HG2      ARG  36   7.022  -6.516  -4.235
  308    HG3  ARG  36           HG1      ARG  36   7.288  -5.237  -5.421
  309    HD2  ARG  36           HD2      ARG  36   5.035  -6.218  -5.575
  310    HD3  ARG  36           HD1      ARG  36   5.965  -6.427  -7.056
  311    HE   ARG  36           HE       ARG  36   6.443  -8.734  -5.795
  312   HH11  ARG  36          HH11      ARG  36   3.442  -7.009  -6.330
  313   HH12  ARG  36          HH12      ARG  36   2.494  -8.454  -6.464
  314   HH21  ARG  36          HH21      ARG  36   5.203 -10.627  -5.956
  315   HH22  ARG  36          HH22      ARG  36   3.493 -10.516  -6.232
  316    H    ASP  37           HN       ASP  37   9.612  -4.387  -3.866
  317    HA   ASP  37           HA       ASP  37  10.418  -2.826  -6.226
  318    HB2  ASP  37           HB2      ASP  37   8.153  -2.344  -5.312
  319    HB3  ASP  37           HB1      ASP  37   8.896  -1.870  -3.790
  320    H    ASN  38           HN       ASN  38  11.607  -3.984  -3.360
  321    HA   ASN  38           HA       ASN  38  13.305  -3.457  -1.945
  322    HB2  ASN  38           HB2      ASN  38  14.575  -3.224  -4.084
  323    HB3  ASN  38           HB1      ASN  38  14.152  -1.519  -4.124
  324   HD21  ASN  38          HD21      ASN  38  15.985  -3.975  -2.435
  325   HD22  ASN  38          HD22      ASN  38  17.087  -2.891  -1.659
  326    H    CYS  39           HN       CYS  39  10.784  -2.106  -1.914
  327    HA   CYS  39           HA       CYS  39  11.277   0.645  -1.185
  328    HB2  CYS  39           HB2      CYS  39   9.267  -0.077  -2.481
  329    HB3  CYS  39           HB1      CYS  39   8.725  -0.978  -1.071
  330    H    SER  40           HN       SER  40  11.045   1.493   0.897
  331    HA   SER  40           HA       SER  40  10.738  -0.495   3.042
  332    HB2  SER  40           HB2      SER  40  12.307   2.092   3.154
  333    HB3  SER  40           HB1      SER  40  12.168   0.900   4.445
  334    HG   SER  40           HG       SER  40  13.684   0.847   2.124
  335    H    GLY  41           HN       GLY  41   9.438   2.204   1.536
  336    HA2  GLY  41           HA2      GLY  41   7.598   3.502   1.974
  337    HA3  GLY  41           HA1      GLY  41   7.231   2.401   3.290
  338    H    GLN  42           HN       GLN  42  10.016   4.496   2.755
  339    HA   GLN  42           HA       GLN  42   9.307   6.097   5.084
  340    HB2  GLN  42           HB2      GLN  42  11.821   4.441   4.827
  341    HB3  GLN  42           HB1      GLN  42  11.674   5.783   5.952
  342    HG2  GLN  42           HG2      GLN  42  10.072   4.679   7.243
  343    HG3  GLN  42           HG1      GLN  42   9.720   3.514   5.971
  344   HE21  GLN  42          HE21      GLN  42  12.993   4.394   6.787
  345   HE22  GLN  42          HE22      GLN  42  13.410   2.887   7.531
  346    H    THR  43           HN       THR  43   9.066   7.840   3.668
  347    HA   THR  43           HA       THR  43  11.218   8.547   1.870
  348    HB   THR  43           HB       THR  43   9.726  10.615   1.509
  349    HG1  THR  43           HG1      THR  43   7.999  10.731   2.711
  350   HG21  THR  43          HG21      THR  43   8.170   9.317   0.092
  351   HG22  THR  43          HG22      THR  43   8.714   7.839   0.884
  352   HG23  THR  43          HG23      THR  43   9.842   8.787  -0.084
  353    H    HIS  44           HN       HIS  44  11.617   8.500   4.790
  354    HA   HIS  44           HA       HIS  44  12.947  11.084   4.976
  355    HB2  HIS  44           HB2      HIS  44  12.303  11.301   7.376
  356    HB3  HIS  44           HB1      HIS  44  10.937  11.449   6.280
  357    HD1  HIS  44           HD1      HIS  44   9.153   9.563   6.343
  358    HD2  HIS  44           HD2      HIS  44  12.223   9.115   9.110
  359    HE1  HIS  44           HE1      HIS  44   8.374   7.782   7.936
  360    HE2  HIS  44           HE2      HIS  44  10.305   7.431   9.513
  361    H    ASP  45           HN       ASP  45  13.776   8.482   4.273
  362    HA   ASP  45           HA       ASP  45  15.523   7.087   4.540
  363    HB2  ASP  45           HB2      ASP  45  16.796   9.078   5.264
  364    HB3  ASP  45           HB1      ASP  45  16.293   8.779   6.926
  Start of MODEL   13
    1    H1   GLY  -2           HT1      GLY  -2 -16.614  13.710   3.193
    2    H2   GLY  -2           HT2      GLY  -2 -16.185  12.950   4.641
    3    H3   GLY  -2           HT3      GLY  -2 -17.458  12.343   3.710
    4    HA2  GLY  -2           HA1      GLY  -2 -14.607  12.404   2.906
    5    HA3  GLY  -2           HA2      GLY  -2 -15.486  10.982   3.446
    6    HA   PRO  -1           HA       PRO  -1 -15.760  11.729  -1.265
    7    HB2  PRO  -1           HB2      PRO  -1 -14.421   9.468  -2.020
    8    HB3  PRO  -1           HB1      PRO  -1 -13.647  11.042  -1.816
    9    HG2  PRO  -1           HG2      PRO  -1 -13.753   8.723   0.071
   10    HG3  PRO  -1           HG1      PRO  -1 -12.386   9.779  -0.329
   11    HD2  PRO  -1           HD2      PRO  -1 -13.807  10.090   1.937
   12    HD3  PRO  -1           HD1      PRO  -1 -13.128  11.476   1.058
   13    H    HIS   0           HN       HIS   0 -17.446  10.900  -2.352
   14    HA   HIS   0           HA       HIS   0 -18.897   8.676  -1.162
   15    HB2  HIS   0           HB2      HIS   0 -20.051  10.780  -1.905
   16    HB3  HIS   0           HB1      HIS   0 -19.646  10.364  -3.564
   17    HD1  HIS   0           HD1      HIS   0 -21.291   8.940  -4.780
   18    HD2  HIS   0           HD2      HIS   0 -21.838   8.806  -0.660
   19    HE1  HIS   0           HE1      HIS   0 -23.406   7.631  -4.421
   20    HE2  HIS   0           HE2      HIS   0 -23.780   7.660  -1.931
   21    H    MET   1           HN       MET   1 -16.659   7.637  -1.971
   22    HA   MET   1           HA       MET   1 -17.351   5.693  -3.890
   23    HB2  MET   1           HB2      MET   1 -15.744   6.210  -5.652
   24    HB3  MET   1           HB1      MET   1 -16.911   7.513  -5.489
   25    HG2  MET   1           HG2      MET   1 -15.259   8.798  -4.191
   26    HG3  MET   1           HG1      MET   1 -14.089   7.503  -4.442
   27    HE1  MET   1           HE1      MET   1 -16.771   8.893  -6.990
   28    HE2  MET   1           HE2      MET   1 -15.827  10.132  -7.813
   29    HE3  MET   1           HE3      MET   1 -16.227  10.318  -6.106
   30    H    ALA   2           HN       ALA   2 -15.661   4.072  -4.103
   31    HA   ALA   2           HA       ALA   2 -13.610   4.335  -2.005
   32    HB1  ALA   2           HB1      ALA   2 -13.854   1.926  -1.571
   33    HB2  ALA   2           HB2      ALA   2 -15.208   1.878  -2.701
   34    HB3  ALA   2           HB3      ALA   2 -15.328   2.831  -1.223
   35    H    VAL   3           HN       VAL   3 -11.699   3.227  -2.298
   36    HA   VAL   3           HA       VAL   3 -11.198   2.074  -4.956
   37    HB   VAL   3           HB       VAL   3  -9.229   3.751  -3.372
   38   HG11  VAL   3          HG11      VAL   3  -9.023   2.514  -6.113
   39   HG12  VAL   3          HG12      VAL   3  -8.141   2.025  -4.665
   40   HG13  VAL   3          HG13      VAL   3  -7.836   3.603  -5.393
   41   HG21  VAL   3          HG21      VAL   3  -9.445   5.411  -5.175
   42   HG22  VAL   3          HG22      VAL   3 -10.952   5.184  -4.288
   43   HG23  VAL   3          HG23      VAL   3 -10.747   4.454  -5.880
   44    H    LEU   4           HN       LEU   4  -9.903   0.240  -4.926
   45    HA   LEU   4           HA       LEU   4  -9.785  -0.909  -2.251
   46    HB2  LEU   4           HB2      LEU   4  -9.663  -2.243  -4.948
   47    HB3  LEU   4           HB1      LEU   4  -9.505  -3.086  -3.416
   48    HG   LEU   4           HG       LEU   4 -11.905  -2.336  -4.831
   49   HD11  LEU   4          HD11      LEU   4 -11.372  -3.836  -2.280
   50   HD12  LEU   4          HD12      LEU   4 -11.414  -4.536  -3.905
   51   HD13  LEU   4          HD13      LEU   4 -12.883  -3.866  -3.192
   52   HD21  LEU   4          HD21      LEU   4 -11.711  -0.411  -3.186
   53   HD22  LEU   4          HD22      LEU   4 -11.945  -1.633  -1.935
   54   HD23  LEU   4          HD23      LEU   4 -13.193  -1.364  -3.148
   55    H    CYS   5           HN       CYS   5  -8.020  -2.507  -1.936
   56    HA   CYS   5           HA       CYS   5  -5.613  -1.277  -1.599
   57    HB2  CYS   5           HB2      CYS   5  -6.453  -3.403  -0.599
   58    HB3  CYS   5           HB1      CYS   5  -6.070  -4.213  -2.104
   59    H    GLY   6           HN       GLY   6  -3.984  -0.695  -2.913
   60    HA2  GLY   6           HA2      GLY   6  -4.019  -1.197  -5.699
   61    HA3  GLY   6           HA1      GLY   6  -2.677  -0.513  -4.794
   62    H    VAL   7           HN       VAL   7  -2.889  -3.074  -3.078
   63    HA   VAL   7           HA       VAL   7  -1.054  -4.607  -4.739
   64    HB   VAL   7           HB       VAL   7  -1.744  -4.843  -1.810
   65   HG11  VAL   7          HG11      VAL   7   0.269  -6.398  -3.430
   66   HG12  VAL   7          HG12      VAL   7  -1.200  -7.037  -2.691
   67   HG13  VAL   7          HG13      VAL   7   0.113  -6.443  -1.675
   68   HG21  VAL   7          HG21      VAL   7  -0.431  -2.882  -2.330
   69   HG22  VAL   7          HG22      VAL   7   0.722  -3.860  -3.238
   70   HG23  VAL   7          HG23      VAL   7   0.573  -4.067  -1.492
   71    H    CYS   8           HN       CYS   8  -3.874  -5.381  -2.642
   72    HA   CYS   8           HA       CYS   8  -4.147  -7.838  -4.220
   73    HB2  CYS   8           HB2      CYS   8  -5.210  -8.870  -2.336
   74    HB3  CYS   8           HB1      CYS   8  -3.709  -8.139  -1.797
   75    H    GLY   9           HN       GLY   9  -5.599  -4.874  -3.742
   76    HA2  GLY   9           HA2      GLY   9  -7.545  -3.904  -4.472
   77    HA3  GLY   9           HA1      GLY   9  -7.572  -5.204  -5.652
   78    H    ILE  10           HN       ILE  10  -7.866  -5.661  -2.169
   79    HA   ILE  10           HA       ILE  10 -10.757  -5.916  -2.487
   80    HB   ILE  10           HB       ILE  10 -10.757  -7.972  -1.066
   81   HG12  ILE  10          HG12      ILE  10  -8.447  -9.259  -1.336
   82   HG13  ILE  10          HG11      ILE  10  -7.808  -7.620  -1.340
   83   HG21  ILE  10          HG21      ILE  10 -10.195  -9.519  -2.850
   84   HG22  ILE  10          HG22      ILE  10  -9.279  -8.257  -3.672
   85   HG23  ILE  10          HG23      ILE  10 -11.027  -8.102  -3.492
   86   HD11  ILE  10          HD11      ILE  10  -9.464  -8.882   0.825
   87   HD12  ILE  10          HD12      ILE  10  -8.907  -7.210   0.809
   88   HD13  ILE  10          HD13      ILE  10  -7.737  -8.529   0.881
   89    H    LYS  11           HN       LYS  11 -11.914  -5.882  -0.495
   90    HA   LYS  11           HA       LYS  11 -12.525  -5.120   1.522
   91    HB2  LYS  11           HB2      LYS  11 -11.279  -5.695   3.405
   92    HB3  LYS  11           HB1      LYS  11 -10.798  -6.875   2.200
   93    HG2  LYS  11           HG2      LYS  11  -8.751  -5.534   1.778
   94    HG3  LYS  11           HG1      LYS  11  -9.232  -4.463   3.094
   95    HD2  LYS  11           HD2      LYS  11  -8.749  -7.429   3.371
   96    HD3  LYS  11           HD1      LYS  11  -7.579  -6.174   3.781
   97    HE2  LYS  11           HE2      LYS  11  -9.120  -5.272   5.444
   98    HE3  LYS  11           HE1      LYS  11 -10.305  -6.508   5.026
   99    HZ1  LYS  11           HZ1      LYS  11  -7.598  -7.049   6.113
  100    HZ2  LYS  11           HZ2      LYS  11  -8.793  -8.198   5.786
  101    HZ3  LYS  11           HZ3      LYS  11  -9.025  -7.064   7.015
  102    H    GLU  12           HN       GLU  12 -11.205  -3.264  -0.439
  103    HA   GLU  12           HA       GLU  12 -10.857  -1.035  -0.620
  104    HB2  GLU  12           HB2      GLU  12 -12.022  -1.116   2.139
  105    HB3  GLU  12           HB1      GLU  12 -11.485   0.393   1.413
  106    HG2  GLU  12           HG2      GLU  12 -13.027   0.063  -0.436
  107    HG3  GLU  12           HG1      GLU  12 -13.558  -1.462   0.271
  108    H    PHE  13           HN       PHE  13  -9.376   0.577  -0.259
  109    HA   PHE  13           HA       PHE  13  -6.947  -0.260   1.031
  110    HB2  PHE  13           HB2      PHE  13  -5.924   1.589   0.055
  111    HB3  PHE  13           HB1      PHE  13  -7.199   1.219  -1.089
  112    HD1  PHE  13           HD2      PHE  13  -9.158   2.683  -1.282
  113    HD2  PHE  13           HD1      PHE  13  -5.943   3.594   1.360
  114    HE1  PHE  13           HE2      PHE  13  -9.972   4.996  -1.097
  115    HE2  PHE  13           HE1      PHE  13  -6.749   5.911   1.542
  116    HZ   PHE  13           HZ       PHE  13  -8.766   6.614   0.316
  117    H    LYS  14           HN       LYS  14  -5.873   0.844   2.726
  118    HA   LYS  14           HA       LYS  14  -7.503   2.621   4.390
  119    HB2  LYS  14           HB2      LYS  14  -7.792   0.433   5.357
  120    HB3  LYS  14           HB1      LYS  14  -6.067   0.125   5.296
  121    HG2  LYS  14           HG2      LYS  14  -5.658   1.782   6.983
  122    HG3  LYS  14           HG1      LYS  14  -7.360   2.252   6.987
  123    HD2  LYS  14           HD2      LYS  14  -6.505  -0.558   7.597
  124    HD3  LYS  14           HD1      LYS  14  -6.502   0.687   8.843
  125    HE2  LYS  14           HE2      LYS  14  -8.569  -0.505   8.996
  126    HE3  LYS  14           HE1      LYS  14  -8.912   1.094   8.348
  127    HZ1  LYS  14           HZ1      LYS  14 -10.081  -0.796   7.243
  128    HZ2  LYS  14           HZ2      LYS  14  -8.588  -1.304   6.634
  129    HZ3  LYS  14           HZ3      LYS  14  -9.213   0.205   6.198
  130    H    TYR  15           HN       TYR  15  -4.452   1.509   3.238
  131    HA   TYR  15           HA       TYR  15  -3.043   3.653   4.682
  132    HB2  TYR  15           HB2      TYR  15  -2.002   1.044   3.567
  133    HB3  TYR  15           HB1      TYR  15  -0.984   2.302   4.258
  134    HD1  TYR  15           HD2      TYR  15  -3.943   0.217   5.157
  135    HD2  TYR  15           HD1      TYR  15  -0.366   2.101   6.461
  136    HE1  TYR  15           HE2      TYR  15  -4.231  -0.794   7.375
  137    HE2  TYR  15           HE1      TYR  15  -0.635   1.093   8.689
  138    HH   TYR  15           HH       TYR  15  -2.833  -1.410   9.318
  139    H    LYS  16           HN       LYS  16  -0.862   4.026   3.348
  140    HA   LYS  16           HA       LYS  16  -1.041   3.882   0.518
  141    HB2  LYS  16           HB2      LYS  16  -2.623   5.756   0.991
  142    HB3  LYS  16           HB1      LYS  16  -1.305   6.632   1.755
  143    HG2  LYS  16           HG2      LYS  16  -0.164   6.900  -0.296
  144    HG3  LYS  16           HG1      LYS  16  -1.195   5.712  -1.099
  145    HD2  LYS  16           HD2      LYS  16  -1.770   8.027  -1.712
  146    HD3  LYS  16           HD1      LYS  16  -3.102   7.184  -0.920
  147    HE2  LYS  16           HE2      LYS  16  -2.464   8.286   1.208
  148    HE3  LYS  16           HE1      LYS  16  -1.234   9.192   0.329
  149    HZ1  LYS  16           HZ1      LYS  16  -4.155   9.298  -0.179
  150    HZ2  LYS  16           HZ2      LYS  16  -2.983  10.160  -1.037
  151    HZ3  LYS  16           HZ3      LYS  16  -3.245  10.490   0.602
  152    H    CYS  17           HN       CYS  17   0.999   3.169   0.354
  153    HA   CYS  17           HA       CYS  17   3.186   3.758   1.922
  154    HB2  CYS  17           HB2      CYS  17   3.245   1.976   0.259
  155    HB3  CYS  17           HB1      CYS  17   3.161   3.155  -1.046
  156    HA   PRO  18           HA       PRO  18   3.863   8.074   1.112
  157    HB2  PRO  18           HB2      PRO  18   6.364   8.208   2.229
  158    HB3  PRO  18           HB1      PRO  18   4.862   8.252   3.156
  159    HG2  PRO  18           HG2      PRO  18   6.708   5.959   2.643
  160    HG3  PRO  18           HG1      PRO  18   5.868   6.411   4.138
  161    HD2  PRO  18           HD2      PRO  18   4.989   4.420   2.556
  162    HD3  PRO  18           HD1      PRO  18   3.871   5.472   3.449
  163    H    ARG  19           HN       ARG  19   5.734   5.478  -0.115
  164    HA   ARG  19           HA       ARG  19   7.144   7.308  -1.928
  165    HB2  ARG  19           HB2      ARG  19   7.724   4.462  -1.134
  166    HB3  ARG  19           HB1      ARG  19   8.503   5.234  -2.506
  167    HG2  ARG  19           HG2      ARG  19   9.207   7.054  -0.860
  168    HG3  ARG  19           HG1      ARG  19   8.722   5.923   0.404
  169    HD2  ARG  19           HD2      ARG  19  10.294   4.265  -0.496
  170    HD3  ARG  19           HD1      ARG  19  10.791   5.419  -1.735
  171    HE   ARG  19           HE       ARG  19  11.046   6.393   0.970
  172   HH11  ARG  19          HH11      ARG  19  12.640   4.700  -1.645
  173   HH12  ARG  19          HH12      ARG  19  14.235   5.013  -1.047
  174   HH21  ARG  19          HH21      ARG  19  13.142   6.815   1.764
  175   HH22  ARG  19          HH22      ARG  19  14.524   6.218   0.898
  176    H    CYS  20           HN       CYS  20   5.451   4.165  -1.996
  177    HA   CYS  20           HA       CYS  20   5.302   4.182  -4.847
  178    HB2  CYS  20           HB2      CYS  20   3.778   2.487  -2.867
  179    HB3  CYS  20           HB1      CYS  20   3.869   2.208  -4.594
  180    H    LEU  21           HN       LEU  21   3.387   5.450  -2.328
  181    HA   LEU  21           HA       LEU  21   1.396   6.477  -2.164
  182    HB2  LEU  21           HB2      LEU  21   1.462   6.682  -5.174
  183    HB3  LEU  21           HB1      LEU  21   0.442   7.604  -4.090
  184    HG   LEU  21           HG       LEU  21   3.349   7.919  -4.677
  185   HD11  LEU  21          HD11      LEU  21   2.719  10.273  -4.762
  186   HD12  LEU  21          HD12      LEU  21   1.074   9.850  -4.283
  187   HD13  LEU  21          HD13      LEU  21   1.714   9.295  -5.831
  188   HD21  LEU  21          HD21      LEU  21   3.356   7.642  -2.282
  189   HD22  LEU  21          HD22      LEU  21   2.025   8.790  -2.113
  190   HD23  LEU  21          HD23      LEU  21   3.600   9.344  -2.682
  191    H    VAL  22           HN       VAL  22   1.743   3.535  -2.973
  192    HA   VAL  22           HA       VAL  22  -0.714   2.834  -4.214
  193    HB   VAL  22           HB       VAL  22   1.283   1.402  -4.418
  194   HG11  VAL  22          HG11      VAL  22   2.027  -0.015  -2.606
  195   HG12  VAL  22          HG12      VAL  22   0.843   0.716  -1.522
  196   HG13  VAL  22          HG13      VAL  22   2.173   1.682  -2.153
  197   HG21  VAL  22          HG21      VAL  22  -0.891   0.435  -4.813
  198   HG22  VAL  22          HG22      VAL  22  -1.072   0.075  -3.096
  199   HG23  VAL  22          HG23      VAL  22   0.165  -0.749  -4.045
  200    H    GLN  23           HN       GLN  23  -2.585   2.784  -3.318
  201    HA   GLN  23           HA       GLN  23  -2.940   3.106  -0.490
  202    HB2  GLN  23           HB2      GLN  23  -4.971   2.618  -2.671
  203    HB3  GLN  23           HB1      GLN  23  -5.334   3.114  -1.027
  204    HG2  GLN  23           HG2      GLN  23  -4.063   5.186  -1.400
  205    HG3  GLN  23           HG1      GLN  23  -3.805   4.695  -3.072
  206   HE21  GLN  23          HE21      GLN  23  -6.479   3.507  -3.272
  207   HE22  GLN  23          HE22      GLN  23  -7.583   4.833  -3.393
  208    H    THR  24           HN       THR  24  -2.287   1.376   0.596
  209    HA   THR  24           HA       THR  24  -3.025  -1.307  -0.232
  210    HB   THR  24           HB       THR  24  -1.658  -1.801   1.954
  211    HG1  THR  24           HG1      THR  24  -0.281  -0.122   2.527
  212   HG21  THR  24          HG21      THR  24   0.433  -1.675   0.670
  213   HG22  THR  24          HG22      THR  24  -0.369  -0.663  -0.532
  214   HG23  THR  24          HG23      THR  24  -0.884  -2.334  -0.296
  215    H    CYS  25           HN       CYS  25  -4.033  -2.792   1.248
  216    HA   CYS  25           HA       CYS  25  -6.236  -1.565   2.650
  217    HB2  CYS  25           HB2      CYS  25  -7.105  -3.819   2.885
  218    HB3  CYS  25           HB1      CYS  25  -6.554  -3.582   1.235
  219    H    SER  26           HN       SER  26  -3.224  -3.072   3.407
  220    HA   SER  26           HA       SER  26  -3.650  -2.576   6.239
  221    HB2  SER  26           HB2      SER  26  -2.871  -4.890   6.795
  222    HB3  SER  26           HB1      SER  26  -4.433  -4.866   5.987
  223    HG   SER  26           HG       SER  26  -3.531  -6.191   4.630
  224    H    LEU  27           HN       LEU  27  -1.548  -3.201   7.445
  225    HA   LEU  27           HA       LEU  27   0.669  -1.949   6.178
  226    HB2  LEU  27           HB2      LEU  27   0.015  -2.294   8.731
  227    HB3  LEU  27           HB1      LEU  27   0.996  -3.732   8.558
  228    HG   LEU  27           HG       LEU  27   2.200  -1.780   9.531
  229   HD11  LEU  27          HD11      LEU  27   3.453  -3.556   8.460
  230   HD12  LEU  27          HD12      LEU  27   4.212  -1.991   8.167
  231   HD13  LEU  27          HD13      LEU  27   3.267  -2.765   6.895
  232   HD21  LEU  27          HD21      LEU  27   1.954  -0.603   6.768
  233   HD22  LEU  27          HD22      LEU  27   2.834   0.078   8.135
  234   HD23  LEU  27          HD23      LEU  27   1.076  -0.045   8.191
  235    H    GLU  28           HN       GLU  28  -0.574  -5.153   6.367
  236    HA   GLU  28           HA       GLU  28   1.751  -6.642   5.835
  237    HB2  GLU  28           HB2      GLU  28  -0.359  -7.634   6.624
  238    HB3  GLU  28           HB1      GLU  28  -1.111  -7.251   5.081
  239    HG2  GLU  28           HG2      GLU  28   0.443  -8.749   3.947
  240    HG3  GLU  28           HG1      GLU  28   1.205  -9.126   5.493
  241    H    CYS  29           HN       CYS  29  -0.760  -5.421   3.611
  242    HA   CYS  29           HA       CYS  29   0.645  -6.189   1.271
  243    HB2  CYS  29           HB2      CYS  29  -1.680  -4.402   1.856
  244    HB3  CYS  29           HB1      CYS  29  -0.951  -4.366   0.260
  245    H    SER  30           HN       SER  30   0.866  -3.486   3.408
  246    HA   SER  30           HA       SER  30   2.127  -1.672   1.615
  247    HB2  SER  30           HB2      SER  30   2.245  -1.760   4.638
  248    HB3  SER  30           HB1      SER  30   2.691  -0.389   3.622
  249    HG   SER  30           HG       SER  30   0.136  -1.483   4.120
  250    H    LYS  31           HN       LYS  31   3.219  -4.368   3.492
  251    HA   LYS  31           HA       LYS  31   5.998  -3.639   2.908
  252    HB2  LYS  31           HB2      LYS  31   6.644  -5.288   4.577
  253    HB3  LYS  31           HB1      LYS  31   5.517  -4.125   5.253
  254    HG2  LYS  31           HG2      LYS  31   3.711  -5.745   5.056
  255    HG3  LYS  31           HG1      LYS  31   4.833  -6.913   4.350
  256    HD2  LYS  31           HD2      LYS  31   6.163  -6.876   6.402
  257    HD3  LYS  31           HD1      LYS  31   5.051  -5.701   7.105
  258    HE2  LYS  31           HE2      LYS  31   3.244  -7.312   7.003
  259    HE3  LYS  31           HE1      LYS  31   4.301  -8.480   6.214
  260    HZ1  LYS  31           HZ1      LYS  31   4.068  -8.919   8.583
  261    HZ2  LYS  31           HZ2      LYS  31   4.687  -7.391   8.947
  262    HZ3  LYS  31           HZ3      LYS  31   5.668  -8.542   8.192
  263    H    LYS  32           HN       LYS  32   3.505  -5.463   1.724
  264    HA   LYS  32           HA       LYS  32   4.837  -7.800   0.851
  265    HB2  LYS  32           HB2      LYS  32   2.352  -7.477   0.984
  266    HB3  LYS  32           HB1      LYS  32   2.464  -6.441  -0.430
  267    HG2  LYS  32           HG2      LYS  32   3.019  -8.205  -1.838
  268    HG3  LYS  32           HG1      LYS  32   3.498  -9.249  -0.496
  269    HD2  LYS  32           HD2      LYS  32   1.183  -9.389   0.238
  270    HD3  LYS  32           HD1      LYS  32   0.689  -8.317  -1.072
  271    HE2  LYS  32           HE2      LYS  32   2.049 -10.971  -1.498
  272    HE3  LYS  32           HE1      LYS  32   0.300 -10.760  -1.492
  273    HZ1  LYS  32           HZ1      LYS  32   0.525  -9.220  -3.349
  274    HZ2  LYS  32           HZ2      LYS  32   1.167 -10.733  -3.736
  275    HZ3  LYS  32           HZ3      LYS  32   2.200  -9.449  -3.364
  276    H    HIS  33           HN       HIS  33   4.251  -4.638  -0.638
  277    HA   HIS  33           HA       HIS  33   5.450  -5.376  -3.117
  278    HB2  HIS  33           HB2      HIS  33   5.245  -3.050  -3.755
  279    HB3  HIS  33           HB1      HIS  33   3.771  -3.564  -2.950
  280    HD1  HIS  33           HD1      HIS  33   2.900  -1.672  -1.568
  281    HD2  HIS  33           HD2      HIS  33   7.039  -1.857  -1.536
  282    HE1  HIS  33           HE1      HIS  33   3.693   0.203  -0.061
  283    H    LYS  34           HN       LYS  34   6.757  -4.539  -0.093
  284    HA   LYS  34           HA       LYS  34   9.087  -3.151  -1.003
  285    HB2  LYS  34           HB2      LYS  34   8.587  -4.581   1.614
  286    HB3  LYS  34           HB1      LYS  34   9.929  -3.495   1.289
  287    HG2  LYS  34           HG2      LYS  34   8.396  -1.639   1.015
  288    HG3  LYS  34           HG1      LYS  34   7.022  -2.719   1.269
  289    HD2  LYS  34           HD2      LYS  34   7.858  -3.233   3.521
  290    HD3  LYS  34           HD1      LYS  34   9.210  -2.132   3.263
  291    HE2  LYS  34           HE2      LYS  34   7.710  -0.261   3.073
  292    HE3  LYS  34           HE1      LYS  34   6.306  -1.323   3.164
  293    HZ1  LYS  34           HZ1      LYS  34   8.309  -0.952   5.333
  294    HZ2  LYS  34           HZ2      LYS  34   6.908  -1.891   5.421
  295    HZ3  LYS  34           HZ3      LYS  34   6.789  -0.213   5.280
  296    H    THR  35           HN       THR  35   8.222  -6.475  -0.462
  297    HA   THR  35           HA       THR  35  10.992  -7.348  -0.479
  298    HB   THR  35           HB       THR  35   9.257  -8.282   1.100
  299    HG1  THR  35           HG1      THR  35  10.457 -10.248  -0.585
  300   HG21  THR  35          HG21      THR  35   8.294  -9.659  -1.407
  301   HG22  THR  35          HG22      THR  35   7.392  -8.487  -0.444
  302   HG23  THR  35          HG23      THR  35   7.794 -10.065   0.234
  303    H    ARG  36           HN       ARG  36   8.943  -6.503  -2.832
  304    HA   ARG  36           HA       ARG  36  10.040  -8.499  -4.687
  305    HB2  ARG  36           HB2      ARG  36   7.885  -8.318  -5.976
  306    HB3  ARG  36           HB1      ARG  36   7.768  -9.142  -4.428
  307    HG2  ARG  36           HG2      ARG  36   6.719  -7.279  -3.412
  308    HG3  ARG  36           HG1      ARG  36   7.089  -6.237  -4.787
  309    HD2  ARG  36           HD2      ARG  36   5.281  -8.644  -4.886
  310    HD3  ARG  36           HD1      ARG  36   4.729  -6.976  -4.731
  311    HE   ARG  36           HE       ARG  36   6.215  -6.838  -6.946
  312   HH11  ARG  36          HH11      ARG  36   3.737  -9.119  -5.982
  313   HH12  ARG  36          HH12      ARG  36   3.255  -9.464  -7.611
  314   HH21  ARG  36          HH21      ARG  36   5.572  -7.278  -9.077
  315   HH22  ARG  36          HH22      ARG  36   4.293  -8.413  -9.375
  316    H    ASP  37           HN       ASP  37   8.912  -5.216  -4.179
  317    HA   ASP  37           HA       ASP  37   9.862  -4.473  -6.856
  318    HB2  ASP  37           HB2      ASP  37   7.514  -3.909  -6.270
  319    HB3  ASP  37           HB1      ASP  37   8.103  -2.921  -4.938
  320    H    ASN  38           HN       ASN  38  10.877  -4.562  -3.730
  321    HA   ASN  38           HA       ASN  38  12.525  -3.607  -2.515
  322    HB2  ASN  38           HB2      ASN  38  13.897  -3.996  -4.510
  323    HB3  ASN  38           HB1      ASN  38  13.391  -2.446  -5.173
  324   HD21  ASN  38          HD21      ASN  38  15.512  -1.710  -5.268
  325   HD22  ASN  38          HD22      ASN  38  16.391  -1.248  -3.853
  326    H    CYS  39           HN       CYS  39  11.162  -2.338  -1.292
  327    HA   CYS  39           HA       CYS  39  11.293   0.516  -1.902
  328    HB2  CYS  39           HB2      CYS  39   9.078  -0.195  -2.643
  329    HB3  CYS  39           HB1      CYS  39   8.786  -0.965  -1.089
  330    H    SER  40           HN       SER  40  11.705   1.767  -0.161
  331    HA   SER  40           HA       SER  40  12.185   0.441   2.367
  332    HB2  SER  40           HB2      SER  40  12.520   3.370   1.676
  333    HB3  SER  40           HB1      SER  40  13.234   2.513   3.044
  334    HG   SER  40           HG       SER  40  13.968   1.162   0.939
  335    H    GLY  41           HN       GLY  41   9.710   2.153   0.844
  336    HA2  GLY  41           HA2      GLY  41   7.606   2.779   1.477
  337    HA3  GLY  41           HA1      GLY  41   7.791   1.600   2.757
  338    H    GLN  42           HN       GLN  42   9.612   4.614   2.343
  339    HA   GLN  42           HA       GLN  42   8.198   5.865   4.525
  340    HB2  GLN  42           HB2      GLN  42  10.224   6.086   5.926
  341    HB3  GLN  42           HB1      GLN  42   9.727   4.409   5.748
  342    HG2  GLN  42           HG2      GLN  42  11.440   4.071   4.049
  343    HG3  GLN  42           HG1      GLN  42  11.935   5.755   4.211
  344   HE21  GLN  42          HE21      GLN  42  11.923   2.617   5.680
  345   HE22  GLN  42          HE22      GLN  42  13.104   2.958   6.895
  346    H    THR  43           HN       THR  43   8.627   8.071   4.642
  347    HA   THR  43           HA       THR  43  10.545   9.081   2.650
  348    HB   THR  43           HB       THR  43   8.940  11.130   2.588
  349    HG1  THR  43           HG1      THR  43   7.481   9.255   4.016
  350   HG21  THR  43          HG21      THR  43   9.356   9.720   0.661
  351   HG22  THR  43          HG22      THR  43   7.635  10.089   0.766
  352   HG23  THR  43          HG23      THR  43   8.231   8.508   1.271
  353    H    HIS  44           HN       HIS  44   8.750   9.730   5.574
  354    HA   HIS  44           HA       HIS  44  11.123  10.706   6.900
  355    HB2  HIS  44           HB2      HIS  44   9.968  12.729   7.791
  356    HB3  HIS  44           HB1      HIS  44  10.237  12.817   6.057
  357    HD1  HIS  44           HD1      HIS  44   7.623  13.049   8.605
  358    HD2  HIS  44           HD2      HIS  44   7.809  12.375   4.508
  359    HE1  HIS  44           HE1      HIS  44   5.300  13.481   7.741
  360    HE2  HIS  44           HE2      HIS  44   5.456  13.149   5.249
  361    H    ASP  45           HN       ASP  45   9.874   8.363   7.045
  362    HA   ASP  45           HA       ASP  45   7.873   8.499   9.191
  363    HB2  ASP  45           HB2      ASP  45   8.230   6.366   7.069
  364    HB3  ASP  45           HB1      ASP  45   6.936   6.446   8.257
  Start of MODEL   14
    1    H1   GLY  -2           HT1      GLY  -2 -20.021   8.630   8.194
    2    H2   GLY  -2           HT2      GLY  -2 -20.835   7.193   8.546
    3    H3   GLY  -2           HT3      GLY  -2 -20.589   7.651   6.940
    4    HA2  GLY  -2           HA1      GLY  -2 -18.455   6.940   8.870
    5    HA3  GLY  -2           HA2      GLY  -2 -19.059   5.892   7.596
    6    HA   PRO  -1           HA       PRO  -1 -15.498   8.558   6.015
    7    HB2  PRO  -1           HB2      PRO  -1 -14.136   6.000   5.577
    8    HB3  PRO  -1           HB1      PRO  -1 -13.554   7.443   6.407
    9    HG2  PRO  -1           HG2      PRO  -1 -14.162   5.175   7.729
   10    HG3  PRO  -1           HG1      PRO  -1 -14.407   6.780   8.441
   11    HD2  PRO  -1           HD2      PRO  -1 -16.408   4.935   7.186
   12    HD3  PRO  -1           HD1      PRO  -1 -16.557   5.932   8.649
   13    H    HIS   0           HN       HIS   0 -15.850   9.103   3.962
   14    HA   HIS   0           HA       HIS   0 -17.110   7.222   2.151
   15    HB2  HIS   0           HB2      HIS   0 -16.345  10.125   1.818
   16    HB3  HIS   0           HB1      HIS   0 -17.141   9.172   0.574
   17    HD1  HIS   0           HD1      HIS   0 -18.040  11.656   2.781
   18    HD2  HIS   0           HD2      HIS   0 -19.594   7.865   2.068
   19    HE1  HIS   0           HE1      HIS   0 -20.405  11.720   3.635
   20    HE2  HIS   0           HE2      HIS   0 -21.365   9.463   3.063
   21    H    MET   1           HN       MET   1 -13.980   8.116   2.954
   22    HA   MET   1           HA       MET   1 -12.654   7.877   0.489
   23    HB2  MET   1           HB2      MET   1 -10.638   7.404   1.856
   24    HB3  MET   1           HB1      MET   1 -11.520   8.820   2.404
   25    HG2  MET   1           HG2      MET   1 -12.609   7.310   4.119
   26    HG3  MET   1           HG1      MET   1 -11.409   6.102   3.671
   27    HE1  MET   1           HE1      MET   1  -8.825   7.919   3.106
   28    HE2  MET   1           HE2      MET   1  -8.795   6.410   4.019
   29    HE3  MET   1           HE3      MET   1  -8.059   7.863   4.693
   30    H    ALA   2           HN       ALA   2 -12.166   6.169  -0.745
   31    HA   ALA   2           HA       ALA   2 -11.985   3.500   0.204
   32    HB1  ALA   2           HB1      ALA   2 -14.470   4.177  -1.374
   33    HB2  ALA   2           HB2      ALA   2 -14.433   3.747   0.335
   34    HB3  ALA   2           HB3      ALA   2 -13.948   2.564  -0.884
   35    H    VAL   3           HN       VAL   3 -12.171   1.991  -1.794
   36    HA   VAL   3           HA       VAL   3 -11.382   2.588  -4.329
   37    HB   VAL   3           HB       VAL   3  -9.615   3.949  -2.852
   38   HG11  VAL   3          HG11      VAL   3  -9.071   1.770  -1.665
   39   HG12  VAL   3          HG12      VAL   3  -7.733   2.799  -2.189
   40   HG13  VAL   3          HG13      VAL   3  -8.154   1.359  -3.119
   41   HG21  VAL   3          HG21      VAL   3  -8.842   2.307  -5.235
   42   HG22  VAL   3          HG22      VAL   3  -7.893   3.624  -4.551
   43   HG23  VAL   3          HG23      VAL   3  -9.488   3.950  -5.235
   44    H    LEU   4           HN       LEU   4  -9.674   0.679  -5.028
   45    HA   LEU   4           HA       LEU   4  -9.920  -1.427  -3.013
   46    HB2  LEU   4           HB2      LEU   4  -9.715  -1.697  -6.011
   47    HB3  LEU   4           HB1      LEU   4  -9.503  -3.049  -4.914
   48    HG   LEU   4           HG       LEU   4 -12.010  -1.411  -5.287
   49   HD11  LEU   4          HD11      LEU   4 -11.386  -4.294  -5.902
   50   HD12  LEU   4          HD12      LEU   4 -11.586  -2.997  -7.081
   51   HD13  LEU   4          HD13      LEU   4 -12.955  -3.513  -6.096
   52   HD21  LEU   4          HD21      LEU   4 -11.854  -1.979  -2.963
   53   HD22  LEU   4          HD22      LEU   4 -11.398  -3.642  -3.350
   54   HD23  LEU   4          HD23      LEU   4 -13.024  -3.063  -3.721
   55    H    CYS   5           HN       CYS   5  -8.220  -2.317  -2.211
   56    HA   CYS   5           HA       CYS   5  -5.796  -1.136  -1.995
   57    HB2  CYS   5           HB2      CYS   5  -6.632  -2.910  -0.537
   58    HB3  CYS   5           HB1      CYS   5  -6.432  -4.088  -1.825
   59    H    GLY   6           HN       GLY   6  -4.093  -0.834  -3.248
   60    HA2  GLY   6           HA2      GLY   6  -3.999  -1.629  -5.928
   61    HA3  GLY   6           HA1      GLY   6  -2.658  -0.952  -5.028
   62    H    VAL   7           HN       VAL   7  -2.777  -3.234  -3.095
   63    HA   VAL   7           HA       VAL   7  -1.019  -4.938  -4.630
   64    HB   VAL   7           HB       VAL   7  -1.739  -4.965  -1.698
   65   HG11  VAL   7          HG11      VAL   7  -1.149  -7.217  -2.457
   66   HG12  VAL   7          HG12      VAL   7   0.099  -6.546  -1.403
   67   HG13  VAL   7          HG13      VAL   7   0.349  -6.591  -3.151
   68   HG21  VAL   7          HG21      VAL   7   0.529  -4.095  -1.403
   69   HG22  VAL   7          HG22      VAL   7  -0.443  -3.026  -2.415
   70   HG23  VAL   7          HG23      VAL   7   0.755  -4.090  -3.151
   71    H    CYS   8           HN       CYS   8  -3.739  -5.668  -2.411
   72    HA   CYS   8           HA       CYS   8  -3.977  -8.264  -3.730
   73    HB2  CYS   8           HB2      CYS   8  -5.226  -8.983  -1.799
   74    HB3  CYS   8           HB1      CYS   8  -3.777  -8.153  -1.247
   75    H    GLY   9           HN       GLY   9  -5.772  -5.321  -3.178
   76    HA2  GLY   9           HA2      GLY   9  -7.756  -4.527  -4.016
   77    HA3  GLY   9           HA1      GLY   9  -7.346  -5.483  -5.427
   78    H    ILE  10           HN       ILE  10  -8.799  -5.844  -2.181
   79    HA   ILE  10           HA       ILE  10 -10.881  -7.439  -3.462
   80    HB   ILE  10           HB       ILE  10 -10.842  -8.878  -1.264
   81   HG12  ILE  10          HG12      ILE  10  -8.429  -9.398  -0.675
   82   HG13  ILE  10          HG11      ILE  10  -7.989  -7.911  -1.504
   83   HG21  ILE  10          HG21      ILE  10 -10.655  -9.780  -3.489
   84   HG22  ILE  10          HG22      ILE  10  -9.454 -10.538  -2.441
   85   HG23  ILE  10          HG23      ILE  10  -8.965  -9.285  -3.582
   86   HD11  ILE  10          HD11      ILE  10  -9.386  -6.651   0.051
   87   HD12  ILE  10          HD12      ILE  10  -8.106  -7.548   0.868
   88   HD13  ILE  10          HD13      ILE  10  -9.764  -8.146   0.907
   89    H    LYS  11           HN       LYS  11 -10.020  -5.221  -0.882
   90    HA   LYS  11           HA       LYS  11 -12.865  -5.162  -0.168
   91    HB2  LYS  11           HB2      LYS  11 -12.277  -4.672   2.177
   92    HB3  LYS  11           HB1      LYS  11 -11.733  -6.255   1.654
   93    HG2  LYS  11           HG2      LYS  11  -9.456  -5.414   1.438
   94    HG3  LYS  11           HG1      LYS  11  -9.997  -3.805   1.901
   95    HD2  LYS  11           HD2      LYS  11 -10.306  -6.234   3.655
   96    HD3  LYS  11           HD1      LYS  11  -8.923  -5.141   3.734
   97    HE2  LYS  11           HE2      LYS  11 -10.468  -3.273   4.207
   98    HE3  LYS  11           HE1      LYS  11 -11.812  -4.413   4.206
   99    HZ1  LYS  11           HZ1      LYS  11 -11.013  -3.902   6.445
  100    HZ2  LYS  11           HZ2      LYS  11  -9.493  -4.528   6.054
  101    HZ3  LYS  11           HZ3      LYS  11 -10.845  -5.544   6.082
  102    H    GLU  12           HN       GLU  12  -9.935  -3.172   0.364
  103    HA   GLU  12           HA       GLU  12 -10.878  -0.770  -0.685
  104    HB2  GLU  12           HB2      GLU  12 -12.630  -1.176   1.123
  105    HB3  GLU  12           HB1      GLU  12 -11.342  -0.994   2.301
  106    HG2  GLU  12           HG2      GLU  12 -10.976   1.297   1.563
  107    HG3  GLU  12           HG1      GLU  12 -12.249   1.113   0.353
  108    H    PHE  13           HN       PHE  13  -9.488   1.085   0.175
  109    HA   PHE  13           HA       PHE  13  -6.930   0.038   1.122
  110    HB2  PHE  13           HB2      PHE  13  -5.921   1.950   0.280
  111    HB3  PHE  13           HB1      PHE  13  -7.255   1.728  -0.821
  112    HD1  PHE  13           HD1      PHE  13  -9.235   3.214  -0.710
  113    HD2  PHE  13           HD2      PHE  13  -5.779   3.852   1.705
  114    HE1  PHE  13           HE1      PHE  13  -9.973   5.516  -0.251
  115    HE2  PHE  13           HE2      PHE  13  -6.509   6.157   2.149
  116    HZ   PHE  13           HZ       PHE  13  -8.610   6.991   1.173
  117    H    LYS  14           HN       LYS  14  -5.780   1.057   2.825
  118    HA   LYS  14           HA       LYS  14  -7.325   2.701   4.682
  119    HB2  LYS  14           HB2      LYS  14  -7.547   0.343   5.413
  120    HB3  LYS  14           HB1      LYS  14  -5.797   0.213   5.485
  121    HG2  LYS  14           HG2      LYS  14  -5.714   1.840   7.266
  122    HG3  LYS  14           HG1      LYS  14  -7.458   2.090   7.152
  123    HD2  LYS  14           HD2      LYS  14  -7.776  -0.312   7.716
  124    HD3  LYS  14           HD1      LYS  14  -6.033  -0.442   7.964
  125    HE2  LYS  14           HE2      LYS  14  -7.916   1.363   9.479
  126    HE3  LYS  14           HE1      LYS  14  -7.206  -0.134  10.080
  127    HZ1  LYS  14           HZ1      LYS  14  -5.021   0.865   9.893
  128    HZ2  LYS  14           HZ2      LYS  14  -6.016   1.807  10.877
  129    HZ3  LYS  14           HZ3      LYS  14  -5.693   2.299   9.294
  130    H    TYR  15           HN       TYR  15  -4.426   1.756   3.168
  131    HA   TYR  15           HA       TYR  15  -2.937   3.877   4.562
  132    HB2  TYR  15           HB2      TYR  15  -1.846   1.239   3.544
  133    HB3  TYR  15           HB1      TYR  15  -0.877   2.547   4.207
  134    HD1  TYR  15           HD2      TYR  15  -3.710   0.313   5.107
  135    HD2  TYR  15           HD1      TYR  15  -0.330   2.505   6.450
  136    HE1  TYR  15           HE2      TYR  15  -3.990  -0.644   7.357
  137    HE2  TYR  15           HE1      TYR  15  -0.594   1.553   8.703
  138    HH   TYR  15           HH       TYR  15  -2.250   0.538  10.087
  139    H    LYS  16           HN       LYS  16  -0.839   4.260   3.113
  140    HA   LYS  16           HA       LYS  16  -1.140   3.967   0.303
  141    HB2  LYS  16           HB2      LYS  16  -2.807   5.777   0.756
  142    HB3  LYS  16           HB1      LYS  16  -1.511   6.760   1.419
  143    HG2  LYS  16           HG2      LYS  16  -0.459   6.963  -0.699
  144    HG3  LYS  16           HG1      LYS  16  -1.495   5.717  -1.400
  145    HD2  LYS  16           HD2      LYS  16  -2.183   7.973  -2.082
  146    HD3  LYS  16           HD1      LYS  16  -3.437   7.155  -1.150
  147    HE2  LYS  16           HE2      LYS  16  -2.732   8.385   0.852
  148    HE3  LYS  16           HE1      LYS  16  -1.500   9.214  -0.096
  149    HZ1  LYS  16           HZ1      LYS  16  -3.228  10.198  -1.441
  150    HZ2  LYS  16           HZ2      LYS  16  -3.505  10.555   0.188
  151    HZ3  LYS  16           HZ3      LYS  16  -4.424   9.365  -0.587
  152    H    CYS  17           HN       CYS  17   0.921   3.272   0.237
  153    HA   CYS  17           HA       CYS  17   3.066   3.960   1.759
  154    HB2  CYS  17           HB2      CYS  17   3.180   2.125   0.177
  155    HB3  CYS  17           HB1      CYS  17   3.103   3.245  -1.180
  156    HA   PRO  18           HA       PRO  18   3.830   8.240   0.839
  157    HB2  PRO  18           HB2      PRO  18   6.292   8.331   2.068
  158    HB3  PRO  18           HB1      PRO  18   4.745   8.498   2.908
  159    HG2  PRO  18           HG2      PRO  18   6.522   6.118   2.644
  160    HG3  PRO  18           HG1      PRO  18   5.583   6.671   4.043
  161    HD2  PRO  18           HD2      PRO  18   4.779   4.625   2.479
  162    HD3  PRO  18           HD1      PRO  18   3.629   5.731   3.257
  163    H    ARG  19           HN       ARG  19   5.717   5.559  -0.170
  164    HA   ARG  19           HA       ARG  19   7.306   7.220  -1.992
  165    HB2  ARG  19           HB2      ARG  19   7.475   4.378  -1.087
  166    HB3  ARG  19           HB1      ARG  19   8.142   4.803  -2.652
  167    HG2  ARG  19           HG2      ARG  19   9.516   6.551  -1.449
  168    HG3  ARG  19           HG1      ARG  19   8.992   5.781   0.056
  169    HD2  ARG  19           HD2      ARG  19   9.932   3.677  -0.633
  170    HD3  ARG  19           HD1      ARG  19  10.324   4.326  -2.220
  171    HE   ARG  19           HE       ARG  19  11.605   5.779  -0.121
  172   HH11  ARG  19          HH11      ARG  19  11.793   2.936  -2.162
  173   HH12  ARG  19          HH12      ARG  19  13.502   2.732  -1.938
  174   HH21  ARG  19          HH21      ARG  19  13.848   5.505   0.181
  175   HH22  ARG  19          HH22      ARG  19  14.668   4.193  -0.607
  176    H    CYS  20           HN       CYS  20   5.248   4.322  -2.112
  177    HA   CYS  20           HA       CYS  20   5.236   4.383  -4.993
  178    HB2  CYS  20           HB2      CYS  20   3.775   2.536  -3.102
  179    HB3  CYS  20           HB1      CYS  20   4.007   2.283  -4.827
  180    H    LEU  21           HN       LEU  21   3.262   5.528  -2.487
  181    HA   LEU  21           HA       LEU  21   1.241   6.506  -2.342
  182    HB2  LEU  21           HB2      LEU  21   1.310   6.713  -5.349
  183    HB3  LEU  21           HB1      LEU  21   0.330   7.662  -4.250
  184    HG   LEU  21           HG       LEU  21   3.267   7.867  -4.806
  185   HD11  LEU  21          HD11      LEU  21   1.024   9.869  -4.657
  186   HD12  LEU  21          HD12      LEU  21   1.747   9.215  -6.127
  187   HD13  LEU  21          HD13      LEU  21   2.705  10.235  -5.052
  188   HD21  LEU  21          HD21      LEU  21   3.154   7.750  -2.402
  189   HD22  LEU  21          HD22      LEU  21   1.846   8.932  -2.370
  190   HD23  LEU  21          HD23      LEU  21   3.458   9.416  -2.895
  191    H    VAL  22           HN       VAL  22   1.615   3.566  -3.080
  192    HA   VAL  22           HA       VAL  22  -0.831   2.861  -4.379
  193    HB   VAL  22           HB       VAL  22   1.138   1.421  -4.638
  194   HG11  VAL  22          HG11      VAL  22   0.823   0.784  -1.712
  195   HG12  VAL  22          HG12      VAL  22   2.130   1.725  -2.426
  196   HG13  VAL  22          HG13      VAL  22   1.951   0.018  -2.830
  197   HG21  VAL  22          HG21      VAL  22  -1.058   0.433  -4.923
  198   HG22  VAL  22          HG22      VAL  22  -1.145   0.074  -3.199
  199   HG23  VAL  22          HG23      VAL  22   0.050  -0.740  -4.211
  200    H    GLN  23           HN       GLN  23  -2.689   2.617  -3.494
  201    HA   GLN  23           HA       GLN  23  -3.072   3.098  -0.680
  202    HB2  GLN  23           HB2      GLN  23  -5.043   2.485  -2.894
  203    HB3  GLN  23           HB1      GLN  23  -5.472   3.009  -1.273
  204    HG2  GLN  23           HG2      GLN  23  -4.474   5.143  -1.610
  205    HG3  GLN  23           HG1      GLN  23  -3.765   4.630  -3.141
  206   HE21  GLN  23          HE21      GLN  23  -6.676   5.600  -1.510
  207   HE22  GLN  23          HE22      GLN  23  -7.624   5.866  -2.930
  208    H    THR  24           HN       THR  24  -2.315   1.401   0.446
  209    HA   THR  24           HA       THR  24  -3.130  -1.305  -0.229
  210    HB   THR  24           HB       THR  24  -1.695  -1.845   1.827
  211    HG1  THR  24           HG1      THR  24  -0.341  -0.201   2.537
  212   HG21  THR  24          HG21      THR  24   0.378  -1.622   0.576
  213   HG22  THR  24          HG22      THR  24  -0.382  -0.461  -0.512
  214   HG23  THR  24          HG23      THR  24  -0.931  -2.139  -0.486
  215    H    CYS  25           HN       CYS  25  -4.093  -2.695   1.360
  216    HA   CYS  25           HA       CYS  25  -6.204  -1.330   2.787
  217    HB2  CYS  25           HB2      CYS  25  -7.203  -3.527   3.030
  218    HB3  CYS  25           HB1      CYS  25  -6.668  -3.314   1.370
  219    H    SER  26           HN       SER  26  -3.208  -2.901   3.474
  220    HA   SER  26           HA       SER  26  -3.415  -2.254   6.267
  221    HB2  SER  26           HB2      SER  26  -3.234  -5.169   5.446
  222    HB3  SER  26           HB1      SER  26  -3.030  -4.562   7.087
  223    HG   SER  26           HG       SER  26  -5.346  -3.715   5.885
  224    H    LEU  27           HN       LEU  27  -1.362  -2.990   7.435
  225    HA   LEU  27           HA       LEU  27   0.914  -2.111   6.078
  226    HB2  LEU  27           HB2      LEU  27   0.659  -3.833   8.543
  227    HB3  LEU  27           HB1      LEU  27   2.168  -3.143   7.986
  228    HG   LEU  27           HG       LEU  27  -0.233  -1.487   8.743
  229   HD11  LEU  27          HD11      LEU  27   0.954  -1.024  10.827
  230   HD12  LEU  27          HD12      LEU  27   2.201  -2.187  10.375
  231   HD13  LEU  27          HD13      LEU  27   0.553  -2.736  10.680
  232   HD21  LEU  27          HD21      LEU  27   2.664  -0.788   8.290
  233   HD22  LEU  27          HD22      LEU  27   1.409   0.327   8.833
  234   HD23  LEU  27          HD23      LEU  27   1.317  -0.388   7.223
  235    H    GLU  28           HN       GLU  28  -0.428  -5.302   6.524
  236    HA   GLU  28           HA       GLU  28   1.498  -7.013   5.621
  237    HB2  GLU  28           HB2      GLU  28  -0.755  -7.692   6.347
  238    HB3  GLU  28           HB1      GLU  28  -1.436  -7.011   4.878
  239    HG2  GLU  28           HG2      GLU  28  -1.333  -9.341   4.563
  240    HG3  GLU  28           HG1      GLU  28  -0.038  -8.646   3.590
  241    H    CYS  29           HN       CYS  29  -0.738  -5.118   3.611
  242    HA   CYS  29           HA       CYS  29   0.480  -6.024   1.185
  243    HB2  CYS  29           HB2      CYS  29  -1.757  -4.161   1.864
  244    HB3  CYS  29           HB1      CYS  29  -1.103  -4.189   0.234
  245    H    SER  30           HN       SER  30   0.853  -3.329   3.337
  246    HA   SER  30           HA       SER  30   2.121  -1.556   1.526
  247    HB2  SER  30           HB2      SER  30   2.367  -1.763   4.538
  248    HB3  SER  30           HB1      SER  30   2.943  -0.412   3.564
  249    HG   SER  30           HG       SER  30   0.991   0.267   4.121
  250    H    LYS  31           HN       LYS  31   3.286  -4.119   3.651
  251    HA   LYS  31           HA       LYS  31   6.037  -3.594   2.905
  252    HB2  LYS  31           HB2      LYS  31   6.630  -5.349   4.442
  253    HB3  LYS  31           HB1      LYS  31   5.435  -4.310   5.207
  254    HG2  LYS  31           HG2      LYS  31   3.701  -5.922   4.819
  255    HG3  LYS  31           HG1      LYS  31   4.800  -6.933   3.877
  256    HD2  LYS  31           HD2      LYS  31   6.208  -7.195   5.904
  257    HD3  LYS  31           HD1      LYS  31   4.994  -6.297   6.818
  258    HE2  LYS  31           HE2      LYS  31   3.330  -7.985   6.326
  259    HE3  LYS  31           HE1      LYS  31   4.481  -8.859   5.315
  260    HZ1  LYS  31           HZ1      LYS  31   4.768  -8.391   8.231
  261    HZ2  LYS  31           HZ2      LYS  31   5.845  -9.253   7.254
  262    HZ3  LYS  31           HZ3      LYS  31   4.284  -9.843   7.513
  263    H    LYS  32           HN       LYS  32   3.481  -5.166   1.531
  264    HA   LYS  32           HA       LYS  32   4.645  -7.572   0.617
  265    HB2  LYS  32           HB2      LYS  32   2.143  -6.374   0.484
  266    HB3  LYS  32           HB1      LYS  32   2.657  -6.457  -1.191
  267    HG2  LYS  32           HG2      LYS  32   1.389  -8.422  -0.636
  268    HG3  LYS  32           HG1      LYS  32   3.075  -8.871  -0.909
  269    HD2  LYS  32           HD2      LYS  32   3.472  -8.942   1.484
  270    HD3  LYS  32           HD1      LYS  32   1.824  -8.397   1.793
  271    HE2  LYS  32           HE2      LYS  32   0.932 -10.427   0.850
  272    HE3  LYS  32           HE1      LYS  32   2.545 -10.954   0.378
  273    HZ1  LYS  32           HZ1      LYS  32   1.780 -10.450   3.201
  274    HZ2  LYS  32           HZ2      LYS  32   3.158 -11.247   2.621
  275    HZ3  LYS  32           HZ3      LYS  32   1.639 -11.967   2.461
  276    H    HIS  33           HN       HIS  33   4.313  -4.360  -0.872
  277    HA   HIS  33           HA       HIS  33   5.647  -5.193  -3.264
  278    HB2  HIS  33           HB2      HIS  33   5.563  -2.846  -3.942
  279    HB3  HIS  33           HB1      HIS  33   4.003  -3.372  -3.333
  280    HD1  HIS  33           HD1      HIS  33   2.957  -1.462  -2.111
  281    HD2  HIS  33           HD2      HIS  33   7.041  -1.680  -1.476
  282    HE1  HIS  33           HE1      HIS  33   3.539   0.430  -0.535
  283    H    LYS  34           HN       LYS  34   6.710  -4.346  -0.180
  284    HA   LYS  34           HA       LYS  34   9.191  -3.116  -0.935
  285    HB2  LYS  34           HB2      LYS  34   8.401  -4.335   1.718
  286    HB3  LYS  34           HB1      LYS  34   9.764  -3.262   1.433
  287    HG2  LYS  34           HG2      LYS  34   8.223  -1.463   0.838
  288    HG3  LYS  34           HG1      LYS  34   6.856  -2.537   1.133
  289    HD2  LYS  34           HD2      LYS  34   7.626  -2.790   3.480
  290    HD3  LYS  34           HD1      LYS  34   8.904  -1.621   3.150
  291    HE2  LYS  34           HE2      LYS  34   7.328   0.111   2.738
  292    HE3  LYS  34           HE1      LYS  34   5.977  -1.025   2.767
  293    HZ1  LYS  34           HZ1      LYS  34   6.080   0.167   4.830
  294    HZ2  LYS  34           HZ2      LYS  34   7.694  -0.261   5.068
  295    HZ3  LYS  34           HZ3      LYS  34   6.491  -1.444   5.124
  296    H    THR  35           HN       THR  35   8.038  -6.341  -0.451
  297    HA   THR  35           HA       THR  35  10.742  -7.406  -0.200
  298    HB   THR  35           HB       THR  35   8.817  -8.210   1.244
  299    HG1  THR  35           HG1      THR  35  10.492  -9.907  -0.279
  300   HG21  THR  35          HG21      THR  35   7.104  -8.362  -0.488
  301   HG22  THR  35          HG22      THR  35   7.350  -9.926   0.288
  302   HG23  THR  35          HG23      THR  35   8.031  -9.617  -1.309
  303    H    ARG  36           HN       ARG  36   8.820  -6.508  -2.693
  304    HA   ARG  36           HA       ARG  36   9.946  -8.578  -4.442
  305    HB2  ARG  36           HB2      ARG  36   7.876  -8.452  -5.822
  306    HB3  ARG  36           HB1      ARG  36   7.629  -9.125  -4.218
  307    HG2  ARG  36           HG2      ARG  36   6.753  -6.975  -3.454
  308    HG3  ARG  36           HG1      ARG  36   6.978  -6.314  -5.077
  309    HD2  ARG  36           HD2      ARG  36   4.677  -6.944  -4.823
  310    HD3  ARG  36           HD1      ARG  36   5.444  -8.071  -5.939
  311    HE   ARG  36           HE       ARG  36   5.640  -9.252  -3.465
  312   HH11  ARG  36          HH11      ARG  36   3.049  -8.145  -5.540
  313   HH12  ARG  36          HH12      ARG  36   1.892  -9.272  -4.910
  314   HH21  ARG  36          HH21      ARG  36   4.123 -10.758  -2.649
  315   HH22  ARG  36          HH22      ARG  36   2.504 -10.764  -3.275
  316    H    ASP  37           HN       ASP  37   9.032  -5.214  -4.044
  317    HA   ASP  37           HA       ASP  37  10.367  -4.632  -6.605
  318    HB2  ASP  37           HB2      ASP  37   8.215  -3.075  -5.166
  319    HB3  ASP  37           HB1      ASP  37   9.099  -2.464  -6.560
  320    H    ASN  38           HN       ASN  38  10.841  -4.599  -3.382
  321    HA   ASN  38           HA       ASN  38  12.266  -3.613  -1.933
  322    HB2  ASN  38           HB2      ASN  38  13.914  -4.079  -3.727
  323    HB3  ASN  38           HB1      ASN  38  13.595  -2.486  -4.405
  324   HD21  ASN  38          HD21      ASN  38  15.681  -1.775  -4.130
  325   HD22  ASN  38          HD22      ASN  38  16.356  -1.429  -2.576
  326    H    CYS  39           HN       CYS  39  11.237  -2.157  -0.725
  327    HA   CYS  39           HA       CYS  39  11.302   0.631  -1.531
  328    HB2  CYS  39           HB2      CYS  39   9.158  -0.064  -2.439
  329    HB3  CYS  39           HB1      CYS  39   8.714  -0.806  -0.910
  330    H    SER  40           HN       SER  40  11.660   1.930   0.189
  331    HA   SER  40           HA       SER  40  11.915   0.667   2.772
  332    HB2  SER  40           HB2      SER  40  12.422   3.569   2.101
  333    HB3  SER  40           HB1      SER  40  13.090   2.638   3.444
  334    HG   SER  40           HG       SER  40  13.807   1.284   1.390
  335    H    GLY  41           HN       GLY  41   9.650   2.597   1.111
  336    HA2  GLY  41           HA2      GLY  41   7.574   3.385   1.654
  337    HA3  GLY  41           HA1      GLY  41   7.599   2.191   2.937
  338    H    GLN  42           HN       GLN  42   9.788   4.955   2.687
  339    HA   GLN  42           HA       GLN  42   8.461   6.101   5.050
  340    HB2  GLN  42           HB2      GLN  42  10.548   4.736   5.573
  341    HB3  GLN  42           HB1      GLN  42  11.460   5.967   4.714
  342    HG2  GLN  42           HG2      GLN  42  10.687   7.652   6.297
  343    HG3  GLN  42           HG1      GLN  42   9.759   6.424   7.155
  344   HE21  GLN  42          HE21      GLN  42  11.820   4.387   6.805
  345   HE22  GLN  42          HE22      GLN  42  13.090   4.796   7.902
  346    H    THR  43           HN       THR  43   8.416   6.728   2.201
  347    HA   THR  43           HA       THR  43   8.289   8.530   0.843
  348    HB   THR  43           HB       THR  43   9.323  10.419   2.917
  349    HG1  THR  43           HG1      THR  43   7.875   9.487   4.220
  350   HG21  THR  43          HG21      THR  43   7.591  11.856   1.925
  351   HG22  THR  43          HG22      THR  43   7.105  10.528   0.871
  352   HG23  THR  43          HG23      THR  43   8.707  11.244   0.706
  353    H    HIS  44           HN       HIS  44  11.126   8.912   2.969
  354    HA   HIS  44           HA       HIS  44  12.804  10.239   1.210
  355    HB2  HIS  44           HB2      HIS  44  13.230   9.779   3.649
  356    HB3  HIS  44           HB1      HIS  44  13.672   8.136   3.204
  357    HD1  HIS  44           HD1      HIS  44  15.103  11.389   3.757
  358    HD2  HIS  44           HD2      HIS  44  15.999   8.146   1.323
  359    HE1  HIS  44           HE1      HIS  44  17.507  11.685   3.095
  360    HE2  HIS  44           HE2      HIS  44  18.071   9.619   1.768
  361    H    ASP  45           HN       ASP  45  13.838   9.703  -0.579
  362    HA   ASP  45           HA       ASP  45  13.567   6.967  -1.564
  363    HB2  ASP  45           HB2      ASP  45  12.807   8.819  -3.004
  364    HB3  ASP  45           HB1      ASP  45  14.432   9.490  -2.994
  Start of MODEL   15
    1    H1   GLY  -2           HT1      GLY  -2 -17.877  13.997   6.093
    2    H2   GLY  -2           HT2      GLY  -2 -17.609  12.473   5.414
    3    H3   GLY  -2           HT3      GLY  -2 -18.531  13.619   4.582
    4    HA2  GLY  -2           HA1      GLY  -2 -16.624  15.030   4.287
    5    HA3  GLY  -2           HA2      GLY  -2 -15.657  13.909   5.234
    6    HA   PRO  -1           HA       PRO  -1 -15.071  12.808   0.754
    7    HB2  PRO  -1           HB2      PRO  -1 -12.435  12.124   1.105
    8    HB3  PRO  -1           HB1      PRO  -1 -12.984  13.743   0.663
    9    HG2  PRO  -1           HG2      PRO  -1 -12.195  12.672   3.339
   10    HG3  PRO  -1           HG1      PRO  -1 -11.836  14.249   2.611
   11    HD2  PRO  -1           HD2      PRO  -1 -13.767  13.932   4.463
   12    HD3  PRO  -1           HD1      PRO  -1 -13.914  15.108   3.142
   13    H    HIS   0           HN       HIS   0 -15.984  10.871   0.432
   14    HA   HIS   0           HA       HIS   0 -15.721   8.715   2.279
   15    HB2  HIS   0           HB2      HIS   0 -16.886   8.825  -0.506
   16    HB3  HIS   0           HB1      HIS   0 -16.940   7.394   0.516
   17    HD1  HIS   0           HD1      HIS   0 -18.747  10.456  -0.239
   18    HD2  HIS   0           HD2      HIS   0 -18.446   7.856   2.993
   19    HE1  HIS   0           HE1      HIS   0 -20.745  10.942   1.209
   20    HE2  HIS   0           HE2      HIS   0 -20.491   9.425   3.208
   21    H    MET   1           HN       MET   1 -14.132   9.649  -0.650
   22    HA   MET   1           HA       MET   1 -12.309   8.902  -1.750
   23    HB2  MET   1           HB2      MET   1 -11.656   7.718   0.952
   24    HB3  MET   1           HB1      MET   1 -10.522   7.851  -0.385
   25    HG2  MET   1           HG2      MET   1 -11.867  10.134   1.040
   26    HG3  MET   1           HG1      MET   1 -10.189   9.633   1.227
   27    HE1  MET   1           HE1      MET   1  -9.402   8.924  -1.805
   28    HE2  MET   1           HE2      MET   1  -8.367   9.818  -0.693
   29    HE3  MET   1           HE3      MET   1  -8.695  10.462  -2.302
   30    H    ALA   2           HN       ALA   2 -11.834   6.072   0.143
   31    HA   ALA   2           HA       ALA   2 -12.019   3.870  -0.232
   32    HB1  ALA   2           HB1      ALA   2 -14.302   4.560  -2.076
   33    HB2  ALA   2           HB2      ALA   2 -14.438   4.267  -0.342
   34    HB3  ALA   2           HB3      ALA   2 -13.925   2.966  -1.421
   35    H    VAL   3           HN       VAL   3 -12.096   2.219  -2.060
   36    HA   VAL   3           HA       VAL   3 -11.003   2.568  -4.541
   37    HB   VAL   3           HB       VAL   3  -9.300   3.865  -2.942
   38   HG11  VAL   3          HG11      VAL   3  -7.606   2.592  -2.016
   39   HG12  VAL   3          HG12      VAL   3  -8.087   1.136  -2.888
   40   HG13  VAL   3          HG13      VAL   3  -9.092   1.746  -1.568
   41   HG21  VAL   3          HG21      VAL   3  -7.451   3.344  -4.425
   42   HG22  VAL   3          HG22      VAL   3  -8.942   3.664  -5.316
   43   HG23  VAL   3          HG23      VAL   3  -8.373   2.007  -5.107
   44    H    LEU   4           HN       LEU   4  -9.552   0.492  -5.022
   45    HA   LEU   4           HA       LEU   4  -9.925  -1.423  -2.837
   46    HB2  LEU   4           HB2      LEU   4  -9.842  -1.955  -5.809
   47    HB3  LEU   4           HB1      LEU   4  -9.651  -3.223  -4.613
   48    HG   LEU   4           HG       LEU   4 -12.096  -1.502  -5.027
   49   HD11  LEU   4          HD11      LEU   4 -13.160  -3.611  -5.643
   50   HD12  LEU   4          HD12      LEU   4 -11.619  -4.447  -5.447
   51   HD13  LEU   4          HD13      LEU   4 -11.808  -3.232  -6.711
   52   HD21  LEU   4          HD21      LEU   4 -11.525  -3.626  -2.956
   53   HD22  LEU   4          HD22      LEU   4 -13.127  -2.976  -3.310
   54   HD23  LEU   4          HD23      LEU   4 -11.872  -1.916  -2.670
   55    H    CYS   5           HN       CYS   5  -8.250  -2.237  -1.957
   56    HA   CYS   5           HA       CYS   5  -5.802  -1.214  -1.820
   57    HB2  CYS   5           HB2      CYS   5  -6.648  -2.999  -0.389
   58    HB3  CYS   5           HB1      CYS   5  -6.464  -4.157  -1.693
   59    H    GLY   6           HN       GLY   6  -4.207  -0.819  -3.179
   60    HA2  GLY   6           HA2      GLY   6  -4.155  -1.668  -5.837
   61    HA3  GLY   6           HA1      GLY   6  -2.815  -0.927  -4.994
   62    H    VAL   7           HN       VAL   7  -2.968  -3.277  -3.042
   63    HA   VAL   7           HA       VAL   7  -1.083  -4.884  -4.554
   64    HB   VAL   7           HB       VAL   7  -1.812  -4.928  -1.625
   65   HG11  VAL   7          HG11      VAL   7   0.102  -6.403  -1.322
   66   HG12  VAL   7          HG12      VAL   7   0.369  -6.436  -3.064
   67   HG13  VAL   7          HG13      VAL   7  -1.097  -7.144  -2.384
   68   HG21  VAL   7          HG21      VAL   7   0.637  -3.924  -3.070
   69   HG22  VAL   7          HG22      VAL   7   0.407  -3.945  -1.322
   70   HG23  VAL   7          HG23      VAL   7  -0.617  -2.925  -2.334
   71    H    CYS   8           HN       CYS   8  -3.842  -5.671  -2.387
   72    HA   CYS   8           HA       CYS   8  -3.898  -8.310  -3.648
   73    HB2  CYS   8           HB2      CYS   8  -5.188  -9.063  -1.745
   74    HB3  CYS   8           HB1      CYS   8  -3.761  -8.207  -1.181
   75    H    GLY   9           HN       GLY   9  -5.694  -5.414  -3.419
   76    HA2  GLY   9           HA2      GLY   9  -7.483  -4.615  -4.574
   77    HA3  GLY   9           HA1      GLY   9  -7.171  -5.905  -5.716
   78    H    ILE  10           HN       ILE  10  -8.254  -6.245  -2.318
   79    HA   ILE  10           HA       ILE  10 -10.739  -7.340  -3.453
   80    HB   ILE  10           HB       ILE  10 -10.759  -8.916  -1.443
   81   HG12  ILE  10          HG12      ILE  10  -8.380  -9.586  -0.778
   82   HG13  ILE  10          HG11      ILE  10  -7.879  -8.025  -1.414
   83   HG21  ILE  10          HG21      ILE  10  -9.392 -10.572  -2.639
   84   HG22  ILE  10          HG22      ILE  10  -8.746  -9.280  -3.652
   85   HG23  ILE  10          HG23      ILE  10 -10.464  -9.673  -3.714
   86   HD11  ILE  10          HD11      ILE  10  -8.132  -7.833   0.941
   87   HD12  ILE  10          HD12      ILE  10  -9.748  -8.540   0.878
   88   HD13  ILE  10          HD13      ILE  10  -9.454  -6.950   0.169
   89    H    LYS  11           HN       LYS  11  -9.441  -5.102  -1.241
   90    HA   LYS  11           HA       LYS  11 -12.130  -4.474  -0.351
   91    HB2  LYS  11           HB2      LYS  11 -11.586  -4.366   2.005
   92    HB3  LYS  11           HB1      LYS  11 -11.283  -5.989   1.404
   93    HG2  LYS  11           HG2      LYS  11  -8.918  -5.608   1.385
   94    HG3  LYS  11           HG1      LYS  11  -9.146  -3.903   1.763
   95    HD2  LYS  11           HD2      LYS  11 -10.066  -6.113   3.585
   96    HD3  LYS  11           HD1      LYS  11  -8.459  -5.394   3.690
   97    HE2  LYS  11           HE2      LYS  11  -9.460  -3.198   4.062
   98    HE3  LYS  11           HE1      LYS  11 -11.069  -3.901   3.929
   99    HZ1  LYS  11           HZ1      LYS  11 -10.410  -3.589   6.232
  100    HZ2  LYS  11           HZ2      LYS  11  -9.061  -4.582   6.005
  101    HZ3  LYS  11           HZ3      LYS  11 -10.618  -5.231   5.885
  102    H    GLU  12           HN       GLU  12 -11.999  -2.476   1.163
  103    HA   GLU  12           HA       GLU  12 -10.978  -0.342  -0.363
  104    HB2  GLU  12           HB2      GLU  12 -12.968  -0.316   1.204
  105    HB3  GLU  12           HB1      GLU  12 -11.826  -0.257   2.537
  106    HG2  GLU  12           HG2      GLU  12 -10.916   1.849   1.580
  107    HG3  GLU  12           HG1      GLU  12 -12.210   1.805   0.384
  108    H    PHE  13           HN       PHE  13  -9.398   1.227   0.240
  109    HA   PHE  13           HA       PHE  13  -7.025   0.093   1.401
  110    HB2  PHE  13           HB2      PHE  13  -5.896   1.996   0.611
  111    HB3  PHE  13           HB1      PHE  13  -7.154   1.719  -0.569
  112    HD1  PHE  13           HD2      PHE  13  -9.085   3.251  -0.737
  113    HD2  PHE  13           HD1      PHE  13  -5.889   3.947   2.003
  114    HE1  PHE  13           HE2      PHE  13  -9.848   5.566  -0.434
  115    HE2  PHE  13           HE1      PHE  13  -6.644   6.270   2.293
  116    HZ   PHE  13           HZ       PHE  13  -8.629   7.082   1.079
  117    H    LYS  14           HN       LYS  14  -5.849   0.992   3.128
  118    HA   LYS  14           HA       LYS  14  -7.275   2.809   4.928
  119    HB2  LYS  14           HB2      LYS  14  -7.652   0.503   5.723
  120    HB3  LYS  14           HB1      LYS  14  -5.917   0.237   5.762
  121    HG2  LYS  14           HG2      LYS  14  -5.694   1.940   7.500
  122    HG3  LYS  14           HG1      LYS  14  -7.440   2.205   7.461
  123    HD2  LYS  14           HD2      LYS  14  -7.828  -0.081   8.164
  124    HD3  LYS  14           HD1      LYS  14  -6.100  -0.416   8.109
  125    HE2  LYS  14           HE2      LYS  14  -5.750   1.289   9.860
  126    HE3  LYS  14           HE1      LYS  14  -7.495   1.521   9.948
  127    HZ1  LYS  14           HZ1      LYS  14  -6.752   0.038  11.676
  128    HZ2  LYS  14           HZ2      LYS  14  -6.033  -0.991  10.546
  129    HZ3  LYS  14           HZ3      LYS  14  -7.717  -0.814  10.579
  130    H    TYR  15           HN       TYR  15  -4.521   1.806   3.301
  131    HA   TYR  15           HA       TYR  15  -2.869   3.792   4.694
  132    HB2  TYR  15           HB2      TYR  15  -1.966   1.081   3.697
  133    HB3  TYR  15           HB1      TYR  15  -0.889   2.342   4.286
  134    HD1  TYR  15           HD1      TYR  15  -3.757   0.230   5.319
  135    HD2  TYR  15           HD2      TYR  15  -0.335   2.429   6.532
  136    HE1  TYR  15           HE1      TYR  15  -4.011  -0.651   7.607
  137    HE2  TYR  15           HE2      TYR  15  -0.574   1.559   8.824
  138    HH   TYR  15           HH       TYR  15  -2.662  -1.019   9.608
  139    H    LYS  16           HN       LYS  16  -0.798   4.095   3.227
  140    HA   LYS  16           HA       LYS  16  -1.144   3.823   0.413
  141    HB2  LYS  16           HB2      LYS  16  -2.749   5.670   0.940
  142    HB3  LYS  16           HB1      LYS  16  -1.405   6.604   1.571
  143    HG2  LYS  16           HG2      LYS  16  -0.379   6.684  -0.626
  144    HG3  LYS  16           HG1      LYS  16  -1.654   5.646  -1.274
  145    HD2  LYS  16           HD2      LYS  16  -2.049   8.007  -1.799
  146    HD3  LYS  16           HD1      LYS  16  -3.320   7.348  -0.767
  147    HE2  LYS  16           HE2      LYS  16  -2.317   8.375   1.181
  148    HE3  LYS  16           HE1      LYS  16  -0.964   8.956   0.213
  149    HZ1  LYS  16           HZ1      LYS  16  -2.490  10.343  -1.030
  150    HZ2  LYS  16           HZ2      LYS  16  -2.595  10.691   0.620
  151    HZ3  LYS  16           HZ3      LYS  16  -3.798   9.770  -0.123
  152    H    CYS  17           HN       CYS  17   0.917   3.095   0.289
  153    HA   CYS  17           HA       CYS  17   3.122   3.917   1.717
  154    HB2  CYS  17           HB2      CYS  17   3.192   1.935   0.308
  155    HB3  CYS  17           HB1      CYS  17   3.051   2.924  -1.142
  156    HA   PRO  18           HA       PRO  18   3.701   8.108   0.300
  157    HB2  PRO  18           HB2      PRO  18   6.134   8.487   1.480
  158    HB3  PRO  18           HB1      PRO  18   4.604   8.578   2.357
  159    HG2  PRO  18           HG2      PRO  18   6.543   6.306   2.155
  160    HG3  PRO  18           HG1      PRO  18   5.696   6.927   3.582
  161    HD2  PRO  18           HD2      PRO  18   4.864   4.722   2.297
  162    HD3  PRO  18           HD1      PRO  18   3.711   5.865   3.019
  163    H    ARG  19           HN       ARG  19   5.667   5.393  -0.388
  164    HA   ARG  19           HA       ARG  19   7.289   6.850  -2.335
  165    HB2  ARG  19           HB2      ARG  19   7.520   4.308  -0.913
  166    HB3  ARG  19           HB1      ARG  19   7.899   4.176  -2.623
  167    HG2  ARG  19           HG2      ARG  19   9.322   6.369  -2.005
  168    HG3  ARG  19           HG1      ARG  19   9.354   5.517  -0.452
  169    HD2  ARG  19           HD2      ARG  19  11.232   4.979  -2.083
  170    HD3  ARG  19           HD1      ARG  19  10.353   3.608  -1.405
  171    HE   ARG  19           HE       ARG  19   9.460   4.631  -3.988
  172   HH11  ARG  19          HH11      ARG  19  11.384   2.259  -2.301
  173   HH12  ARG  19          HH12      ARG  19  11.197   1.043  -3.522
  174   HH21  ARG  19          HH21      ARG  19   9.199   3.038  -5.600
  175   HH22  ARG  19          HH22      ARG  19   9.911   1.466  -5.386
  176    H    CYS  20           HN       CYS  20   5.161   4.011  -2.242
  177    HA   CYS  20           HA       CYS  20   5.202   3.852  -5.133
  178    HB2  CYS  20           HB2      CYS  20   3.774   2.103  -3.123
  179    HB3  CYS  20           HB1      CYS  20   4.030   1.737  -4.824
  180    H    LEU  21           HN       LEU  21   3.345   5.333  -2.800
  181    HA   LEU  21           HA       LEU  21   1.311   6.275  -2.650
  182    HB2  LEU  21           HB2      LEU  21   1.449   6.276  -5.661
  183    HB3  LEU  21           HB1      LEU  21   0.323   7.206  -4.694
  184    HG   LEU  21           HG       LEU  21   3.205   7.679  -5.227
  185   HD11  LEU  21          HD11      LEU  21   0.828   9.473  -4.798
  186   HD12  LEU  21          HD12      LEU  21   1.470   8.953  -6.358
  187   HD13  LEU  21          HD13      LEU  21   2.436   9.990  -5.306
  188   HD21  LEU  21          HD21      LEU  21   1.861   8.491  -2.654
  189   HD22  LEU  21          HD22      LEU  21   3.400   9.117  -3.241
  190   HD23  LEU  21          HD23      LEU  21   3.245   7.410  -2.824
  191    H    VAL  22           HN       VAL  22   1.548   3.324  -2.962
  192    HA   VAL  22           HA       VAL  22  -0.916   2.594  -4.262
  193    HB   VAL  22           HB       VAL  22   0.997   1.088  -4.489
  194   HG11  VAL  22          HG11      VAL  22   1.803  -0.246  -2.610
  195   HG12  VAL  22          HG12      VAL  22   0.763   0.665  -1.517
  196   HG13  VAL  22          HG13      VAL  22   2.088   1.474  -2.349
  197   HG21  VAL  22          HG21      VAL  22  -1.285  -0.087  -2.912
  198   HG22  VAL  22          HG22      VAL  22  -0.132  -1.012  -3.872
  199   HG23  VAL  22          HG23      VAL  22  -1.211   0.136  -4.659
  200    H    GLN  23           HN       GLN  23  -2.753   2.744  -3.314
  201    HA   GLN  23           HA       GLN  23  -3.073   3.104  -0.492
  202    HB2  GLN  23           HB2      GLN  23  -5.105   2.590  -2.682
  203    HB3  GLN  23           HB1      GLN  23  -5.488   3.091  -1.042
  204    HG2  GLN  23           HG2      GLN  23  -4.490   5.209  -1.347
  205    HG3  GLN  23           HG1      GLN  23  -3.735   4.713  -2.859
  206   HE21  GLN  23          HE21      GLN  23  -6.678   5.725  -1.320
  207   HE22  GLN  23          HE22      GLN  23  -7.574   6.015  -2.769
  208    H    THR  24           HN       THR  24  -2.482   1.411   0.687
  209    HA   THR  24           HA       THR  24  -3.255  -1.286  -0.107
  210    HB   THR  24           HB       THR  24  -1.823  -1.875   1.955
  211    HG1  THR  24           HG1      THR  24  -0.314   0.344   1.730
  212   HG21  THR  24          HG21      THR  24   0.243  -1.678   0.672
  213   HG22  THR  24          HG22      THR  24  -0.534  -0.531  -0.418
  214   HG23  THR  24          HG23      THR  24  -1.091  -2.203  -0.351
  215    H    CYS  25           HN       CYS  25  -4.281  -2.704   1.351
  216    HA   CYS  25           HA       CYS  25  -6.409  -1.442   2.799
  217    HB2  CYS  25           HB2      CYS  25  -7.320  -3.679   3.019
  218    HB3  CYS  25           HB1      CYS  25  -6.734  -3.460   1.384
  219    H    SER  26           HN       SER  26  -3.396  -3.022   3.568
  220    HA   SER  26           HA       SER  26  -3.598  -2.198   6.313
  221    HB2  SER  26           HB2      SER  26  -3.536  -5.162   5.682
  222    HB3  SER  26           HB1      SER  26  -3.293  -4.463   7.281
  223    HG   SER  26           HG       SER  26  -5.553  -3.490   6.199
  224    H    LEU  27           HN       LEU  27  -1.556  -3.108   7.547
  225    HA   LEU  27           HA       LEU  27   0.696  -2.189   6.157
  226    HB2  LEU  27           HB2      LEU  27   0.426  -3.808   8.675
  227    HB3  LEU  27           HB1      LEU  27   1.983  -3.304   8.052
  228    HG   LEU  27           HG       LEU  27  -0.238  -1.413   8.826
  229   HD11  LEU  27          HD11      LEU  27   0.638  -2.585  10.772
  230   HD12  LEU  27          HD12      LEU  27   1.157  -0.900  10.769
  231   HD13  LEU  27          HD13      LEU  27   2.284  -2.171  10.294
  232   HD21  LEU  27          HD21      LEU  27   1.227  -0.493   7.119
  233   HD22  LEU  27          HD22      LEU  27   2.645  -0.935   8.070
  234   HD23  LEU  27          HD23      LEU  27   1.529   0.292   8.669
  235    H    GLU  28           HN       GLU  28  -0.591  -5.418   6.588
  236    HA   GLU  28           HA       GLU  28   1.465  -7.024   5.743
  237    HB2  GLU  28           HB2      GLU  28  -0.788  -7.787   6.484
  238    HB3  GLU  28           HB1      GLU  28  -1.429  -7.306   4.920
  239    HG2  GLU  28           HG2      GLU  28  -1.035  -9.703   5.030
  240    HG3  GLU  28           HG1      GLU  28  -0.013  -8.935   3.815
  241    H    CYS  29           HN       CYS  29  -0.815  -5.226   3.714
  242    HA   CYS  29           HA       CYS  29   0.455  -6.088   1.284
  243    HB2  CYS  29           HB2      CYS  29  -1.821  -4.269   1.972
  244    HB3  CYS  29           HB1      CYS  29  -1.164  -4.283   0.345
  245    H    SER  30           HN       SER  30   0.623  -3.369   3.441
  246    HA   SER  30           HA       SER  30   1.878  -1.548   1.669
  247    HB2  SER  30           HB2      SER  30   0.740  -0.908   3.807
  248    HB3  SER  30           HB1      SER  30   2.082  -1.635   4.688
  249    HG   SER  30           HG       SER  30   3.406  -0.121   3.301
  250    H    LYS  31           HN       LYS  31   3.005  -4.265   3.478
  251    HA   LYS  31           HA       LYS  31   5.781  -3.525   2.871
  252    HB2  LYS  31           HB2      LYS  31   6.462  -5.101   4.574
  253    HB3  LYS  31           HB1      LYS  31   5.259  -4.008   5.244
  254    HG2  LYS  31           HG2      LYS  31   3.546  -5.709   4.991
  255    HG3  LYS  31           HG1      LYS  31   4.727  -6.807   4.275
  256    HD2  LYS  31           HD2      LYS  31   6.041  -6.660   6.383
  257    HD3  LYS  31           HD1      LYS  31   4.731  -5.706   7.081
  258    HE2  LYS  31           HE2      LYS  31   4.520  -8.022   7.745
  259    HE3  LYS  31           HE1      LYS  31   3.185  -7.572   6.690
  260    HZ1  LYS  31           HZ1      LYS  31   4.445  -8.600   4.841
  261    HZ2  LYS  31           HZ2      LYS  31   3.988  -9.701   6.038
  262    HZ3  LYS  31           HZ3      LYS  31   5.586  -9.152   5.960
  263    H    LYS  32           HN       LYS  32   3.343  -5.184   1.517
  264    HA   LYS  32           HA       LYS  32   4.646  -7.662   0.900
  265    HB2  LYS  32           HB2      LYS  32   2.134  -7.231   1.028
  266    HB3  LYS  32           HB1      LYS  32   2.296  -6.489  -0.561
  267    HG2  LYS  32           HG2      LYS  32   2.908  -8.514  -1.564
  268    HG3  LYS  32           HG1      LYS  32   3.247  -9.280  -0.011
  269    HD2  LYS  32           HD2      LYS  32   0.856  -9.109   0.556
  270    HD3  LYS  32           HD1      LYS  32   0.546  -8.445  -1.048
  271    HE2  LYS  32           HE2      LYS  32   0.032 -10.824  -0.992
  272    HE3  LYS  32           HE1      LYS  32   1.395 -10.506  -2.063
  273    HZ1  LYS  32           HZ1      LYS  32   1.565 -11.537   0.716
  274    HZ2  LYS  32           HZ2      LYS  32   2.889 -11.189  -0.274
  275    HZ3  LYS  32           HZ3      LYS  32   1.824 -12.430  -0.697
  276    H    HIS  33           HN       HIS  33   4.172  -4.571  -0.683
  277    HA   HIS  33           HA       HIS  33   5.316  -5.422  -3.165
  278    HB2  HIS  33           HB2      HIS  33   5.200  -3.076  -3.818
  279    HB3  HIS  33           HB1      HIS  33   3.695  -3.572  -3.058
  280    HD1  HIS  33           HD1      HIS  33   2.817  -1.644  -1.756
  281    HD2  HIS  33           HD2      HIS  33   6.940  -1.948  -1.491
  282    HE1  HIS  33           HE1      HIS  33   3.571   0.214  -0.210
  283    H    LYS  34           HN       LYS  34   6.572  -4.518  -0.156
  284    HA   LYS  34           HA       LYS  34   8.912  -3.147  -0.980
  285    HB2  LYS  34           HB2      LYS  34   8.304  -4.610   1.598
  286    HB3  LYS  34           HB1      LYS  34   9.686  -3.552   1.345
  287    HG2  LYS  34           HG2      LYS  34   8.141  -1.683   0.912
  288    HG3  LYS  34           HG1      LYS  34   6.783  -2.752   1.256
  289    HD2  LYS  34           HD2      LYS  34   7.606  -3.076   3.533
  290    HD3  LYS  34           HD1      LYS  34   9.001  -2.054   3.183
  291    HE2  LYS  34           HE2      LYS  34   7.550  -0.146   2.813
  292    HE3  LYS  34           HE1      LYS  34   6.123  -1.151   3.051
  293    HZ1  LYS  34           HZ1      LYS  34   8.189  -0.566   5.108
  294    HZ2  LYS  34           HZ2      LYS  34   6.816  -1.525   5.338
  295    HZ3  LYS  34           HZ3      LYS  34   6.648   0.127   5.027
  296    H    THR  35           HN       THR  35   8.048  -6.468  -0.799
  297    HA   THR  35           HA       THR  35  10.781  -7.400  -0.619
  298    HB   THR  35           HB       THR  35   8.774  -8.515   0.493
  299    HG1  THR  35           HG1      THR  35  10.979  -9.560  -0.586
  300   HG21  THR  35          HG21      THR  35   7.542 -10.148  -0.862
  301   HG22  THR  35          HG22      THR  35   8.345  -9.545  -2.310
  302   HG23  THR  35          HG23      THR  35   7.252  -8.496  -1.408
  303    H    ARG  36           HN       ARG  36   8.959  -6.217  -3.097
  304    HA   ARG  36           HA       ARG  36  10.410  -7.867  -5.048
  305    HB2  ARG  36           HB2      ARG  36   8.463  -7.726  -6.569
  306    HB3  ARG  36           HB1      ARG  36   8.122  -8.621  -5.095
  307    HG2  ARG  36           HG2      ARG  36   6.962  -6.710  -4.167
  308    HG3  ARG  36           HG1      ARG  36   7.354  -5.754  -5.600
  309    HD2  ARG  36           HD2      ARG  36   6.116  -7.467  -6.958
  310    HD3  ARG  36           HD1      ARG  36   5.583  -8.185  -5.440
  311    HE   ARG  36           HE       ARG  36   5.013  -5.376  -5.637
  312   HH11  ARG  36          HH11      ARG  36   3.859  -8.577  -6.477
  313   HH12  ARG  36          HH12      ARG  36   2.195  -8.090  -6.568
  314   HH21  ARG  36          HH21      ARG  36   2.837  -4.730  -5.774
  315   HH22  ARG  36          HH22      ARG  36   1.614  -5.898  -6.166
  316    H    ASP  37           HN       ASP  37   9.163  -4.722  -4.165
  317    HA   ASP  37           HA       ASP  37  10.301  -3.567  -6.607
  318    HB2  ASP  37           HB2      ASP  37   7.966  -2.946  -5.964
  319    HB3  ASP  37           HB1      ASP  37   8.605  -2.208  -4.499
  320    H    ASN  38           HN       ASN  38  11.154  -4.207  -3.451
  321    HA   ASN  38           HA       ASN  38  12.750  -3.478  -2.008
  322    HB2  ASN  38           HB2      ASN  38  14.184  -3.638  -4.077
  323    HB3  ASN  38           HB1      ASN  38  13.882  -1.928  -4.354
  324   HD21  ASN  38          HD21      ASN  38  16.407  -3.228  -3.940
  325   HD22  ASN  38          HD22      ASN  38  17.107  -2.526  -2.522
  326    H    CYS  39           HN       CYS  39  11.251  -2.317  -0.796
  327    HA   CYS  39           HA       CYS  39  11.351   0.587  -1.114
  328    HB2  CYS  39           HB2      CYS  39   9.322  -0.221  -2.298
  329    HB3  CYS  39           HB1      CYS  39   8.779  -0.992  -0.815
  330    H    SER  40           HN       SER  40  11.452   1.655   0.814
  331    HA   SER  40           HA       SER  40  11.151   0.058   3.251
  332    HB2  SER  40           HB2      SER  40  12.353   2.814   2.875
  333    HB3  SER  40           HB1      SER  40  12.311   1.912   4.388
  334    HG   SER  40           HG       SER  40  14.027   0.909   3.759
  335    H    GLY  41           HN       GLY  41   9.621   2.428   1.370
  336    HA2  GLY  41           HA2      GLY  41   7.463   3.221   1.550
  337    HA3  GLY  41           HA1      GLY  41   7.339   2.428   3.106
  338    H    GLN  42           HN       GLN  42   9.333   5.019   1.733
  339    HA   GLN  42           HA       GLN  42   8.262   6.944   3.592
  340    HB2  GLN  42           HB2      GLN  42  10.514   7.536   4.489
  341    HB3  GLN  42           HB1      GLN  42   9.969   5.945   5.003
  342    HG2  GLN  42           HG2      GLN  42  11.373   4.915   3.285
  343    HG3  GLN  42           HG1      GLN  42  11.928   6.511   2.788
  344   HE21  GLN  42          HE21      GLN  42  13.323   7.652   4.116
  345   HE22  GLN  42          HE22      GLN  42  14.205   6.895   5.396
  346    H    THR  43           HN       THR  43   8.884   9.116   2.953
  347    HA   THR  43           HA       THR  43   9.232   9.275   0.129
  348    HB   THR  43           HB       THR  43   9.394  11.837   0.767
  349    HG1  THR  43           HG1      THR  43   9.558  11.804   2.939
  350   HG21  THR  43          HG21      THR  43   6.963  11.967   0.757
  351   HG22  THR  43          HG22      THR  43   6.852  10.254   1.153
  352   HG23  THR  43          HG23      THR  43   7.513  10.756  -0.402
  353    H    HIS  44           HN       HIS  44  10.887  10.459  -0.978
  354    HA   HIS  44           HA       HIS  44  13.499   9.780  -0.029
  355    HB2  HIS  44           HB2      HIS  44  12.626  11.351  -2.463
  356    HB3  HIS  44           HB1      HIS  44  14.284  10.869  -2.134
  357    HD1  HIS  44           HD1      HIS  44  11.166   9.699  -3.648
  358    HD2  HIS  44           HD2      HIS  44  14.682   7.996  -2.224
  359    HE1  HIS  44           HE1      HIS  44  11.237   7.382  -4.619
  360    HE2  HIS  44           HE2      HIS  44  13.300   6.326  -3.633
  361    H    ASP  45           HN       ASP  45  13.393  11.051   1.942
  362    HA   ASP  45           HA       ASP  45  13.802  13.929   1.575
  363    HB2  ASP  45           HB2      ASP  45  13.347  12.286   4.076
  364    HB3  ASP  45           HB1      ASP  45  13.648  14.018   4.073
  Start of MODEL   16
    1    H1   GLY  -2           HT1      GLY  -2 -18.905  10.655   3.351
    2    H2   GLY  -2           HT2      GLY  -2 -18.986  12.338   3.270
    3    H3   GLY  -2           HT3      GLY  -2 -17.824  11.597   4.245
    4    HA2  GLY  -2           HA1      GLY  -2 -16.782  12.403   2.255
    5    HA3  GLY  -2           HA2      GLY  -2 -16.763  10.647   2.287
    6    HA   PRO  -1           HA       PRO  -1 -18.862  12.181  -1.623
    7    HB2  PRO  -1           HB2      PRO  -1 -16.932  11.780  -3.438
    8    HB3  PRO  -1           HB1      PRO  -1 -16.991  13.254  -2.464
    9    HG2  PRO  -1           HG2      PRO  -1 -15.292  10.817  -2.113
   10    HG3  PRO  -1           HG1      PRO  -1 -14.842  12.523  -1.954
   11    HD2  PRO  -1           HD2      PRO  -1 -15.428  10.878   0.166
   12    HD3  PRO  -1           HD1      PRO  -1 -15.603  12.642   0.200
   13    H    HIS   0           HN       HIS   0 -17.957   9.434  -0.221
   14    HA   HIS   0           HA       HIS   0 -18.423   7.238  -0.499
   15    HB2  HIS   0           HB2      HIS   0 -20.222   8.333  -2.661
   16    HB3  HIS   0           HB1      HIS   0 -20.183   6.635  -2.209
   17    HD1  HIS   0           HD1      HIS   0 -21.442   5.949  -0.115
   18    HD2  HIS   0           HD2      HIS   0 -21.302  10.069  -0.664
   19    HE1  HIS   0           HE1      HIS   0 -23.051   6.910   1.558
   20    HE2  HIS   0           HE2      HIS   0 -23.030   9.392   1.138
   21    H    MET   1           HN       MET   1 -16.114   8.302  -1.762
   22    HA   MET   1           HA       MET   1 -15.930   6.659  -4.194
   23    HB2  MET   1           HB2      MET   1 -14.239   9.008  -3.327
   24    HB3  MET   1           HB1      MET   1 -13.957   8.048  -4.770
   25    HG2  MET   1           HG2      MET   1 -16.375   9.742  -4.196
   26    HG3  MET   1           HG1      MET   1 -15.076  10.110  -5.330
   27    HE1  MET   1           HE1      MET   1 -18.115  10.217  -6.162
   28    HE2  MET   1           HE2      MET   1 -18.077   9.393  -7.720
   29    HE3  MET   1           HE3      MET   1 -16.794  10.524  -7.289
   30    H    ALA   2           HN       ALA   2 -15.748   4.902  -2.504
   31    HA   ALA   2           HA       ALA   2 -13.284   4.679  -1.083
   32    HB1  ALA   2           HB1      ALA   2 -14.013   2.412  -0.570
   33    HB2  ALA   2           HB2      ALA   2 -15.332   2.563  -1.729
   34    HB3  ALA   2           HB3      ALA   2 -15.311   3.571  -0.283
   35    H    VAL   3           HN       VAL   3 -11.588   3.326  -1.538
   36    HA   VAL   3           HA       VAL   3 -11.369   2.445  -4.337
   37    HB   VAL   3           HB       VAL   3  -9.190   3.689  -2.644
   38   HG11  VAL   3          HG11      VAL   3  -9.113   2.756  -5.510
   39   HG12  VAL   3          HG12      VAL   3  -8.316   1.979  -4.141
   40   HG13  VAL   3          HG13      VAL   3  -7.813   3.589  -4.657
   41   HG21  VAL   3          HG21      VAL   3 -10.596   4.771  -5.081
   42   HG22  VAL   3          HG22      VAL   3  -9.277   5.549  -4.209
   43   HG23  VAL   3          HG23      VAL   3 -10.838   5.322  -3.424
   44    H    LEU   4           HN       LEU   4 -10.551   0.446  -4.661
   45    HA   LEU   4           HA       LEU   4 -10.181  -1.283  -2.403
   46    HB2  LEU   4           HB2      LEU   4  -9.966  -1.699  -5.377
   47    HB3  LEU   4           HB1      LEU   4  -9.594  -2.966  -4.226
   48    HG   LEU   4           HG       LEU   4 -12.277  -1.598  -4.457
   49   HD11  LEU   4          HD11      LEU   4 -11.403  -4.317  -5.423
   50   HD12  LEU   4          HD12      LEU   4 -11.741  -2.923  -6.449
   51   HD13  LEU   4          HD13      LEU   4 -13.036  -3.656  -5.502
   52   HD21  LEU   4          HD21      LEU   4 -13.031  -3.485  -3.053
   53   HD22  LEU   4          HD22      LEU   4 -11.871  -2.447  -2.228
   54   HD23  LEU   4          HD23      LEU   4 -11.353  -4.003  -2.878
   55    H    CYS   5           HN       CYS   5  -8.354  -2.436  -1.896
   56    HA   CYS   5           HA       CYS   5  -5.945  -1.177  -1.639
   57    HB2  CYS   5           HB2      CYS   5  -6.718  -3.256  -0.504
   58    HB3  CYS   5           HB1      CYS   5  -6.373  -4.145  -1.972
   59    H    GLY   6           HN       GLY   6  -4.203  -0.810  -2.862
   60    HA2  GLY   6           HA2      GLY   6  -4.304  -1.266  -5.675
   61    HA3  GLY   6           HA1      GLY   6  -2.965  -0.566  -4.785
   62    H    VAL   7           HN       VAL   7  -3.002  -3.074  -3.048
   63    HA   VAL   7           HA       VAL   7  -1.204  -4.561  -4.784
   64    HB   VAL   7           HB       VAL   7  -1.732  -4.823  -1.821
   65   HG11  VAL   7          HG11      VAL   7   0.200  -6.333  -1.781
   66   HG12  VAL   7          HG12      VAL   7   0.289  -6.262  -3.541
   67   HG13  VAL   7          HG13      VAL   7  -1.116  -6.988  -2.756
   68   HG21  VAL   7          HG21      VAL   7   0.531  -3.906  -1.601
   69   HG22  VAL   7          HG22      VAL   7  -0.543  -2.789  -2.445
   70   HG23  VAL   7          HG23      VAL   7   0.630  -3.742  -3.355
   71    H    CYS   8           HN       CYS   8  -3.585  -5.673  -2.356
   72    HA   CYS   8           HA       CYS   8  -3.854  -8.136  -3.837
   73    HB2  CYS   8           HB2      CYS   8  -5.121  -8.965  -1.958
   74    HB3  CYS   8           HB1      CYS   8  -3.697  -8.130  -1.353
   75    H    GLY   9           HN       GLY   9  -5.819  -5.362  -3.037
   76    HA2  GLY   9           HA2      GLY   9  -7.523  -4.385  -4.201
   77    HA3  GLY   9           HA1      GLY   9  -7.223  -5.541  -5.483
   78    H    ILE  10           HN       ILE  10  -8.100  -6.541  -2.212
   79    HA   ILE  10           HA       ILE  10 -10.641  -7.464  -3.382
   80    HB   ILE  10           HB       ILE  10 -10.555  -9.235  -1.523
   81   HG12  ILE  10          HG12      ILE  10  -8.144  -9.894  -1.011
   82   HG13  ILE  10          HG11      ILE  10  -7.690  -8.284  -1.546
   83   HG21  ILE  10          HG21      ILE  10 -10.330  -9.739  -3.886
   84   HG22  ILE  10          HG22      ILE  10  -9.228 -10.733  -2.935
   85   HG23  ILE  10          HG23      ILE  10  -8.613  -9.341  -3.826
   86   HD11  ILE  10          HD11      ILE  10  -7.840  -8.326   0.845
   87   HD12  ILE  10          HD12      ILE  10  -9.480  -8.968   0.769
   88   HD13  ILE  10          HD13      ILE  10  -9.147  -7.332   0.194
   89    H    LYS  11           HN       LYS  11  -9.340  -5.401  -1.087
   90    HA   LYS  11           HA       LYS  11 -11.993  -4.915  -0.018
   91    HB2  LYS  11           HB2      LYS  11 -11.267  -4.840   2.297
   92    HB3  LYS  11           HB1      LYS  11 -10.947  -6.432   1.628
   93    HG2  LYS  11           HG2      LYS  11  -8.602  -5.886   1.378
   94    HG3  LYS  11           HG1      LYS  11  -8.904  -4.250   1.960
   95    HD2  LYS  11           HD2      LYS  11  -9.436  -6.747   3.569
   96    HD3  LYS  11           HD1      LYS  11  -7.956  -5.794   3.681
   97    HE2  LYS  11           HE2      LYS  11  -9.297  -3.835   4.333
   98    HE3  LYS  11           HE1      LYS  11 -10.752  -4.826   4.270
   99    HZ1  LYS  11           HZ1      LYS  11  -8.440  -5.330   6.061
  100    HZ2  LYS  11           HZ2      LYS  11  -9.901  -6.181   6.044
  101    HZ3  LYS  11           HZ3      LYS  11  -9.870  -4.562   6.524
  102    H    GLU  12           HN       GLU  12 -11.948  -2.876   1.361
  103    HA   GLU  12           HA       GLU  12 -11.018  -0.766  -0.251
  104    HB2  GLU  12           HB2      GLU  12 -13.008  -0.740   1.294
  105    HB3  GLU  12           HB1      GLU  12 -11.886  -0.603   2.640
  106    HG2  GLU  12           HG2      GLU  12 -11.026   1.497   1.635
  107    HG3  GLU  12           HG1      GLU  12 -12.286   1.371   0.408
  108    H    PHE  13           HN       PHE  13  -9.455   0.819   0.153
  109    HA   PHE  13           HA       PHE  13  -7.044  -0.186   1.341
  110    HB2  PHE  13           HB2      PHE  13  -5.957   1.636   0.350
  111    HB3  PHE  13           HB1      PHE  13  -7.270   1.284  -0.767
  112    HD1  PHE  13           HD2      PHE  13  -9.338   2.722  -0.696
  113    HD2  PHE  13           HD1      PHE  13  -5.764   3.724   1.389
  114    HE1  PHE  13           HE2      PHE  13 -10.101   5.054  -0.515
  115    HE2  PHE  13           HE1      PHE  13  -6.514   6.061   1.565
  116    HZ   PHE  13           HZ       PHE  13  -8.690   6.726   0.617
  117    H    LYS  14           HN       LYS  14  -5.740   1.151   2.822
  118    HA   LYS  14           HA       LYS  14  -7.226   2.921   4.585
  119    HB2  LYS  14           HB2      LYS  14  -7.586   0.733   5.565
  120    HB3  LYS  14           HB1      LYS  14  -5.868   0.383   5.498
  121    HG2  LYS  14           HG2      LYS  14  -5.423   2.081   7.161
  122    HG3  LYS  14           HG1      LYS  14  -7.130   2.535   7.184
  123    HD2  LYS  14           HD2      LYS  14  -7.741   0.370   8.044
  124    HD3  LYS  14           HD1      LYS  14  -6.080  -0.204   7.881
  125    HE2  LYS  14           HE2      LYS  14  -5.351   1.443   9.533
  126    HE3  LYS  14           HE1      LYS  14  -7.008   2.020   9.696
  127    HZ1  LYS  14           HZ1      LYS  14  -6.062  -0.719  10.340
  128    HZ2  LYS  14           HZ2      LYS  14  -7.646  -0.162  10.512
  129    HZ3  LYS  14           HZ3      LYS  14  -6.413   0.491  11.468
  130    H    TYR  15           HN       TYR  15  -4.341   1.820   3.146
  131    HA   TYR  15           HA       TYR  15  -2.804   3.938   4.503
  132    HB2  TYR  15           HB2      TYR  15  -1.781   1.263   3.527
  133    HB3  TYR  15           HB1      TYR  15  -0.789   2.543   4.208
  134    HD1  TYR  15           HD2      TYR  15  -3.682   0.351   5.059
  135    HD2  TYR  15           HD1      TYR  15  -0.301   2.514   6.463
  136    HE1  TYR  15           HE2      TYR  15  -3.994  -0.619   7.298
  137    HE2  TYR  15           HE1      TYR  15  -0.605   1.546   8.703
  138    HH   TYR  15           HH       TYR  15  -2.309   0.533  10.055
  139    H    LYS  16           HN       LYS  16  -0.863   4.584   3.169
  140    HA   LYS  16           HA       LYS  16  -0.966   4.022   0.340
  141    HB2  LYS  16           HB2      LYS  16  -2.561   5.938   0.655
  142    HB3  LYS  16           HB1      LYS  16  -1.219   6.888   1.276
  143    HG2  LYS  16           HG2      LYS  16  -0.123   6.899  -0.833
  144    HG3  LYS  16           HG1      LYS  16  -1.193   5.640  -1.457
  145    HD2  LYS  16           HD2      LYS  16  -1.840   7.786  -2.370
  146    HD3  LYS  16           HD1      LYS  16  -3.098   7.190  -1.287
  147    HE2  LYS  16           HE2      LYS  16  -2.791   9.528  -0.872
  148    HE3  LYS  16           HE1      LYS  16  -2.152   8.632   0.503
  149    HZ1  LYS  16           HZ1      LYS  16   0.062   8.955  -0.318
  150    HZ2  LYS  16           HZ2      LYS  16  -0.704  10.455  -0.211
  151    HZ3  LYS  16           HZ3      LYS  16  -0.510   9.714  -1.715
  152    H    CYS  17           HN       CYS  17   1.064   3.302   0.263
  153    HA   CYS  17           HA       CYS  17   3.216   3.982   1.812
  154    HB2  CYS  17           HB2      CYS  17   3.278   2.078   0.309
  155    HB3  CYS  17           HB1      CYS  17   3.239   3.142  -1.093
  156    HA   PRO  18           HA       PRO  18   4.201   8.177   0.701
  157    HB2  PRO  18           HB2      PRO  18   6.768   8.130   1.712
  158    HB3  PRO  18           HB1      PRO  18   5.314   8.437   2.671
  159    HG2  PRO  18           HG2      PRO  18   6.892   5.934   2.341
  160    HG3  PRO  18           HG1      PRO  18   6.121   6.592   3.797
  161    HD2  PRO  18           HD2      PRO  18   5.036   4.560   2.400
  162    HD3  PRO  18           HD1      PRO  18   4.036   5.784   3.210
  163    H    ARG  19           HN       ARG  19   5.936   5.362  -0.311
  164    HA   ARG  19           HA       ARG  19   7.444   6.911  -2.289
  165    HB2  ARG  19           HB2      ARG  19   7.616   4.023  -1.451
  166    HB3  ARG  19           HB1      ARG  19   8.511   4.684  -2.809
  167    HG2  ARG  19           HG2      ARG  19   9.446   6.365  -1.097
  168    HG3  ARG  19           HG1      ARG  19   8.853   5.222   0.114
  169    HD2  ARG  19           HD2      ARG  19  10.179   3.448  -0.867
  170    HD3  ARG  19           HD1      ARG  19  10.711   4.522  -2.157
  171    HE   ARG  19           HE       ARG  19  11.358   5.488   0.474
  172   HH11  ARG  19          HH11      ARG  19  12.384   3.420  -2.154
  173   HH12  ARG  19          HH12      ARG  19  14.064   3.472  -1.714
  174   HH21  ARG  19          HH21      ARG  19  13.570   5.542   1.073
  175   HH22  ARG  19          HH22      ARG  19  14.738   4.679   0.125
  176    H    CYS  20           HN       CYS  20   5.006   4.354  -2.046
  177    HA   CYS  20           HA       CYS  20   5.045   4.133  -4.963
  178    HB2  CYS  20           HB2      CYS  20   3.794   2.247  -2.965
  179    HB3  CYS  20           HB1      CYS  20   3.993   1.956  -4.687
  180    H    LEU  21           HN       LEU  21   3.201   5.497  -2.543
  181    HA   LEU  21           HA       LEU  21   1.106   6.307  -2.349
  182    HB2  LEU  21           HB2      LEU  21   1.247   6.383  -5.348
  183    HB3  LEU  21           HB1      LEU  21   0.200   7.351  -4.325
  184    HG   LEU  21           HG       LEU  21   1.877   8.795  -4.834
  185   HD11  LEU  21          HD11      LEU  21   2.925   7.555  -2.338
  186   HD12  LEU  21          HD12      LEU  21   1.575   8.692  -2.418
  187   HD13  LEU  21          HD13      LEU  21   3.197   9.214  -2.876
  188   HD21  LEU  21          HD21      LEU  21   3.895   6.648  -4.487
  189   HD22  LEU  21          HD22      LEU  21   4.247   8.323  -4.918
  190   HD23  LEU  21          HD23      LEU  21   3.326   7.301  -6.024
  191    H    VAL  22           HN       VAL  22   1.556   3.379  -3.432
  192    HA   VAL  22           HA       VAL  22  -0.934   2.542  -4.387
  193    HB   VAL  22           HB       VAL  22   1.052   1.122  -4.589
  194   HG11  VAL  22          HG11      VAL  22   1.994  -0.079  -2.729
  195   HG12  VAL  22          HG12      VAL  22   0.831   0.652  -1.626
  196   HG13  VAL  22          HG13      VAL  22   2.058   1.652  -2.397
  197   HG21  VAL  22          HG21      VAL  22  -1.075   0.036  -4.761
  198   HG22  VAL  22          HG22      VAL  22  -1.197  -0.103  -3.007
  199   HG23  VAL  22          HG23      VAL  22   0.029  -1.023  -3.883
  200    H    GLN  23           HN       GLN  23  -2.766   2.589  -3.442
  201    HA   GLN  23           HA       GLN  23  -3.060   3.108  -0.639
  202    HB2  GLN  23           HB2      GLN  23  -5.189   2.449  -2.691
  203    HB3  GLN  23           HB1      GLN  23  -5.434   3.226  -1.130
  204    HG2  GLN  23           HG2      GLN  23  -4.156   5.153  -1.861
  205    HG3  GLN  23           HG1      GLN  23  -3.839   4.376  -3.410
  206   HE21  GLN  23          HE21      GLN  23  -6.887   4.283  -1.687
  207   HE22  GLN  23          HE22      GLN  23  -7.778   5.212  -2.836
  208    H    THR  24           HN       THR  24  -2.294   1.401   0.473
  209    HA   THR  24           HA       THR  24  -3.107  -1.299  -0.178
  210    HB   THR  24           HB       THR  24  -1.666  -1.795   1.913
  211    HG1  THR  24           HG1      THR  24  -0.508   0.716   1.365
  212   HG21  THR  24          HG21      THR  24  -0.451  -0.566  -0.558
  213   HG22  THR  24          HG22      THR  24  -0.929  -2.251  -0.349
  214   HG23  THR  24          HG23      THR  24   0.400  -1.587   0.599
  215    H    CYS  25           HN       CYS  25  -4.132  -2.691   1.312
  216    HA   CYS  25           HA       CYS  25  -6.265  -1.376   2.725
  217    HB2  CYS  25           HB2      CYS  25  -7.231  -3.594   2.939
  218    HB3  CYS  25           HB1      CYS  25  -6.649  -3.370   1.302
  219    H    SER  26           HN       SER  26  -3.298  -2.996   3.488
  220    HA   SER  26           HA       SER  26  -3.500  -2.219   6.240
  221    HB2  SER  26           HB2      SER  26  -3.454  -5.172   5.552
  222    HB3  SER  26           HB1      SER  26  -3.226  -4.506   7.167
  223    HG   SER  26           HG       SER  26  -5.477  -3.502   6.104
  224    H    LEU  27           HN       LEU  27  -1.460  -2.960   7.443
  225    HA   LEU  27           HA       LEU  27   0.803  -2.147   6.024
  226    HB2  LEU  27           HB2      LEU  27   0.530  -3.693   8.592
  227    HB3  LEU  27           HB1      LEU  27   2.076  -3.150   7.970
  228    HG   LEU  27           HG       LEU  27  -0.212  -1.293   8.618
  229   HD11  LEU  27          HD11      LEU  27   0.535  -2.403  10.641
  230   HD12  LEU  27          HD12      LEU  27   1.067  -0.724  10.626
  231   HD13  LEU  27          HD13      LEU  27   2.210  -2.012  10.257
  232   HD21  LEU  27          HD21      LEU  27   1.362  -0.407   6.983
  233   HD22  LEU  27          HD22      LEU  27   2.710  -0.798   8.051
  234   HD23  LEU  27          HD23      LEU  27   1.536   0.428   8.527
  235    H    GLU  28           HN       GLU  28  -0.565  -5.305   6.516
  236    HA   GLU  28           HA       GLU  28   1.462  -6.994   5.717
  237    HB2  GLU  28           HB2      GLU  28  -0.740  -7.722   6.528
  238    HB3  GLU  28           HB1      GLU  28  -1.476  -7.163   5.034
  239    HG2  GLU  28           HG2      GLU  28  -0.092  -8.804   3.800
  240    HG3  GLU  28           HG1      GLU  28   0.492  -9.413   5.349
  241    H    CYS  29           HN       CYS  29  -0.745  -5.090   3.702
  242    HA   CYS  29           HA       CYS  29   0.500  -6.041   1.271
  243    HB2  CYS  29           HB2      CYS  29  -1.790  -4.224   1.908
  244    HB3  CYS  29           HB1      CYS  29  -1.081  -4.197   0.302
  245    H    SER  30           HN       SER  30   0.761  -3.365   3.449
  246    HA   SER  30           HA       SER  30   2.015  -1.515   1.721
  247    HB2  SER  30           HB2      SER  30   2.453  -1.764   4.700
  248    HB3  SER  30           HB1      SER  30   2.616  -0.315   3.708
  249    HG   SER  30           HG       SER  30   0.332  -0.487   3.296
  250    H    LYS  31           HN       LYS  31   3.145  -4.291   3.485
  251    HA   LYS  31           HA       LYS  31   5.925  -3.684   2.815
  252    HB2  LYS  31           HB2      LYS  31   6.520  -5.517   4.274
  253    HB3  LYS  31           HB1      LYS  31   5.385  -4.460   5.102
  254    HG2  LYS  31           HG2      LYS  31   3.583  -6.002   4.730
  255    HG3  LYS  31           HG1      LYS  31   4.611  -7.023   3.724
  256    HD2  LYS  31           HD2      LYS  31   4.397  -7.985   5.933
  257    HD3  LYS  31           HD1      LYS  31   6.056  -7.445   5.673
  258    HE2  LYS  31           HE2      LYS  31   5.493  -5.352   6.893
  259    HE3  LYS  31           HE1      LYS  31   3.911  -6.041   7.252
  260    HZ1  LYS  31           HZ1      LYS  31   5.492  -6.334   9.072
  261    HZ2  LYS  31           HZ2      LYS  31   6.508  -7.231   8.059
  262    HZ3  LYS  31           HZ3      LYS  31   4.972  -7.819   8.453
  263    H    LYS  32           HN       LYS  32   3.304  -5.303   1.528
  264    HA   LYS  32           HA       LYS  32   4.428  -7.682   0.552
  265    HB2  LYS  32           HB2      LYS  32   1.996  -7.175   0.619
  266    HB3  LYS  32           HB1      LYS  32   2.222  -6.035  -0.696
  267    HG2  LYS  32           HG2      LYS  32   1.368  -8.049  -1.620
  268    HG3  LYS  32           HG1      LYS  32   3.063  -7.924  -2.091
  269    HD2  LYS  32           HD2      LYS  32   3.660  -9.458  -0.259
  270    HD3  LYS  32           HD1      LYS  32   1.951  -9.601   0.154
  271    HE2  LYS  32           HE2      LYS  32   1.503 -10.501  -2.088
  272    HE3  LYS  32           HE1      LYS  32   3.221 -10.394  -2.461
  273    HZ1  LYS  32           HZ1      LYS  32   3.667 -11.966  -0.679
  274    HZ2  LYS  32           HZ2      LYS  32   2.600 -12.625  -1.807
  275    HZ3  LYS  32           HZ3      LYS  32   2.016 -12.067  -0.325
  276    H    HIS  33           HN       HIS  33   4.226  -4.441  -0.827
  277    HA   HIS  33           HA       HIS  33   5.478  -5.251  -3.283
  278    HB2  HIS  33           HB2      HIS  33   5.393  -2.899  -3.908
  279    HB3  HIS  33           HB1      HIS  33   3.849  -3.400  -3.239
  280    HD1  HIS  33           HD1      HIS  33   2.909  -1.501  -1.902
  281    HD2  HIS  33           HD2      HIS  33   7.018  -1.828  -1.505
  282    HE1  HIS  33           HE1      HIS  33   3.625   0.320  -0.289
  283    H    LYS  34           HN       LYS  34   6.693  -4.765  -0.231
  284    HA   LYS  34           HA       LYS  34   9.036  -3.251  -0.968
  285    HB2  LYS  34           HB2      LYS  34   8.319  -4.669   1.600
  286    HB3  LYS  34           HB1      LYS  34   9.743  -3.663   1.377
  287    HG2  LYS  34           HG2      LYS  34   8.268  -1.748   0.878
  288    HG3  LYS  34           HG1      LYS  34   6.873  -2.772   1.221
  289    HD2  LYS  34           HD2      LYS  34   7.726  -3.130   3.504
  290    HD3  LYS  34           HD1      LYS  34   9.084  -2.061   3.148
  291    HE2  LYS  34           HE2      LYS  34   7.527  -0.222   2.732
  292    HE3  LYS  34           HE1      LYS  34   6.168  -1.287   3.086
  293    HZ1  LYS  34           HZ1      LYS  34   8.317  -0.511   4.992
  294    HZ2  LYS  34           HZ2      LYS  34   7.038  -1.561   5.339
  295    HZ3  LYS  34           HZ3      LYS  34   6.727   0.064   4.999
  296    H    THR  35           HN       THR  35   8.168  -6.584  -0.428
  297    HA   THR  35           HA       THR  35  10.848  -7.563  -0.407
  298    HB   THR  35           HB       THR  35   8.980  -8.759   0.681
  299    HG1  THR  35           HG1      THR  35  10.716 -10.065   0.212
  300   HG21  THR  35          HG21      THR  35   7.239  -8.329  -0.983
  301   HG22  THR  35          HG22      THR  35   7.400 -10.055  -0.657
  302   HG23  THR  35          HG23      THR  35   8.078  -9.371  -2.134
  303    H    ARG  36           HN       ARG  36   8.656  -6.628  -2.864
  304    HA   ARG  36           HA       ARG  36  10.071  -8.206  -4.889
  305    HB2  ARG  36           HB2      ARG  36   8.098  -7.294  -6.344
  306    HB3  ARG  36           HB1      ARG  36   7.834  -8.629  -5.231
  307    HG2  ARG  36           HG2      ARG  36   6.820  -7.179  -3.625
  308    HG3  ARG  36           HG1      ARG  36   7.256  -5.753  -4.567
  309    HD2  ARG  36           HD2      ARG  36   5.525  -7.905  -5.728
  310    HD3  ARG  36           HD1      ARG  36   4.840  -6.641  -4.708
  311    HE   ARG  36           HE       ARG  36   6.374  -5.361  -6.638
  312   HH11  ARG  36          HH11      ARG  36   3.515  -7.384  -6.492
  313   HH12  ARG  36          HH12      ARG  36   2.824  -6.726  -7.940
  314   HH21  ARG  36          HH21      ARG  36   5.457  -4.485  -8.532
  315   HH22  ARG  36          HH22      ARG  36   3.922  -5.067  -9.096
  316    H    ASP  37           HN       ASP  37   9.325  -4.875  -3.987
  317    HA   ASP  37           HA       ASP  37  10.850  -3.996  -6.347
  318    HB2  ASP  37           HB2      ASP  37   8.589  -2.627  -4.894
  319    HB3  ASP  37           HB1      ASP  37   9.609  -1.812  -6.074
  320    H    ASN  38           HN       ASN  38  11.406  -4.559  -3.302
  321    HA   ASN  38           HA       ASN  38  12.909  -3.876  -1.761
  322    HB2  ASN  38           HB2      ASN  38  14.036  -2.748  -4.298
  323    HB3  ASN  38           HB1      ASN  38  14.849  -2.481  -2.760
  324   HD21  ASN  38          HD21      ASN  38  16.641  -3.681  -3.379
  325   HD22  ASN  38          HD22      ASN  38  16.595  -5.407  -3.513
  326    H    CYS  39           HN       CYS  39  10.601  -2.372  -1.751
  327    HA   CYS  39           HA       CYS  39  11.367   0.416  -1.456
  328    HB2  CYS  39           HB2      CYS  39   9.223  -0.123  -2.519
  329    HB3  CYS  39           HB1      CYS  39   8.716  -0.991  -1.077
  330    H    SER  40           HN       SER  40  11.214   1.548   0.518
  331    HA   SER  40           HA       SER  40  11.524  -0.146   2.884
  332    HB2  SER  40           HB2      SER  40  12.435   1.959   3.912
  333    HB3  SER  40           HB1      SER  40  13.344   1.395   2.507
  334    HG   SER  40           HG       SER  40  12.868   3.675   2.486
  335    H    GLY  41           HN       GLY  41   9.318   1.967   1.377
  336    HA2  GLY  41           HA2      GLY  41   7.208   2.653   2.019
  337    HA3  GLY  41           HA1      GLY  41   7.425   1.765   3.518
  338    H    GLN  42           HN       GLN  42   9.658   4.178   2.395
  339    HA   GLN  42           HA       GLN  42   8.671   6.159   4.288
  340    HB2  GLN  42           HB2      GLN  42  11.518   5.105   4.254
  341    HB3  GLN  42           HB1      GLN  42  10.974   6.501   5.172
  342    HG2  GLN  42           HG2      GLN  42   9.538   5.098   6.521
  343    HG3  GLN  42           HG1      GLN  42   9.965   3.690   5.552
  344   HE21  GLN  42          HE21      GLN  42  11.022   5.927   7.982
  345   HE22  GLN  42          HE22      GLN  42  12.418   5.040   8.484
  346    H    THR  43           HN       THR  43   8.893   8.191   3.424
  347    HA   THR  43           HA       THR  43   8.959   8.325   0.683
  348    HB   THR  43           HB       THR  43   9.707  10.792   2.192
  349    HG1  THR  43           HG1      THR  43   7.085  10.476   2.429
  350   HG21  THR  43          HG21      THR  43   9.166  10.871  -0.206
  351   HG22  THR  43          HG22      THR  43   7.979  11.758   0.750
  352   HG23  THR  43          HG23      THR  43   7.591  10.151   0.131
  353    H    HIS  44           HN       HIS  44  11.502   9.577   2.852
  354    HA   HIS  44           HA       HIS  44  13.458   8.852   0.780
  355    HB2  HIS  44           HB2      HIS  44  13.057  11.346   0.832
  356    HB3  HIS  44           HB1      HIS  44  13.654  11.346   2.488
  357    HD1  HIS  44           HD1      HIS  44  14.770  11.183  -1.050
  358    HD2  HIS  44           HD2      HIS  44  16.446  10.897   2.743
  359    HE1  HIS  44           HE1      HIS  44  17.250  11.393  -1.388
  360    HE2  HIS  44           HE2      HIS  44  18.246  11.028   0.896
  361    H    ASP  45           HN       ASP  45  13.228  10.042   4.110
  362    HA   ASP  45           HA       ASP  45  14.470   7.619   5.092
  363    HB2  ASP  45           HB2      ASP  45  16.434   8.987   4.727
  364    HB3  ASP  45           HB1      ASP  45  15.681  10.355   5.537
  Start of MODEL   17
    1    H1   GLY  -2           HT1      GLY  -2  -8.282  13.886  -8.136
    2    H2   GLY  -2           HT2      GLY  -2  -9.126  13.077  -6.915
    3    H3   GLY  -2           HT3      GLY  -2  -9.969  13.811  -8.181
    4    HA2  GLY  -2           HA1      GLY  -2  -9.008  12.272  -9.764
    5    HA3  GLY  -2           HA2      GLY  -2  -8.129  11.505  -8.449
    6    HA   PRO  -1           HA       PRO  -1 -11.813   8.921  -8.477
    7    HB2  PRO  -1           HB2      PRO  -1 -10.829   6.996  -6.842
    8    HB3  PRO  -1           HB1      PRO  -1 -10.415   7.096  -8.558
    9    HG2  PRO  -1           HG2      PRO  -1  -8.845   7.976  -6.174
   10    HG3  PRO  -1           HG1      PRO  -1  -8.285   7.180  -7.657
   11    HD2  PRO  -1           HD2      PRO  -1  -8.050   9.866  -7.191
   12    HD3  PRO  -1           HD1      PRO  -1  -8.164   9.157  -8.814
   13    H    HIS   0           HN       HIS   0 -13.067  10.439  -7.337
   14    HA   HIS   0           HA       HIS   0 -12.825  10.667  -4.470
   15    HB2  HIS   0           HB2      HIS   0 -14.881  12.098  -4.670
   16    HB3  HIS   0           HB1      HIS   0 -13.507  12.656  -5.612
   17    HD1  HIS   0           HD1      HIS   0 -17.002  11.464  -5.924
   18    HD2  HIS   0           HD2      HIS   0 -13.826  12.415  -8.425
   19    HE1  HIS   0           HE1      HIS   0 -17.997  11.698  -8.219
   20    HE2  HIS   0           HE2      HIS   0 -16.094  12.479  -9.663
   21    H    MET   1           HN       MET   1 -13.032   8.154  -4.737
   22    HA   MET   1           HA       MET   1 -15.674   7.444  -3.744
   23    HB2  MET   1           HB2      MET   1 -15.836   5.493  -5.253
   24    HB3  MET   1           HB1      MET   1 -15.861   7.005  -6.150
   25    HG2  MET   1           HG2      MET   1 -13.507   6.719  -6.716
   26    HG3  MET   1           HG1      MET   1 -13.465   5.213  -5.804
   27    HE1  MET   1           HE1      MET   1 -13.197   4.046  -9.544
   28    HE2  MET   1           HE2      MET   1 -12.459   3.973  -7.946
   29    HE3  MET   1           HE3      MET   1 -12.505   5.501  -8.824
   30    H    ALA   2           HN       ALA   2 -15.473   4.880  -3.227
   31    HA   ALA   2           HA       ALA   2 -13.219   4.628  -1.486
   32    HB1  ALA   2           HB1      ALA   2 -15.357   3.655  -0.857
   33    HB2  ALA   2           HB2      ALA   2 -14.106   2.416  -0.961
   34    HB3  ALA   2           HB3      ALA   2 -15.293   2.583  -2.254
   35    H    VAL   3           HN       VAL   3 -11.397   3.576  -1.802
   36    HA   VAL   3           HA       VAL   3 -10.930   2.503  -4.491
   37    HB   VAL   3           HB       VAL   3  -8.970   3.699  -2.525
   38   HG11  VAL   3          HG11      VAL   3  -7.341   3.565  -4.347
   39   HG12  VAL   3          HG12      VAL   3  -8.527   2.719  -5.340
   40   HG13  VAL   3          HG13      VAL   3  -7.914   1.969  -3.866
   41   HG21  VAL   3          HG21      VAL   3  -8.811   5.534  -4.144
   42   HG22  VAL   3          HG22      VAL   3 -10.447   5.363  -3.508
   43   HG23  VAL   3          HG23      VAL   3 -10.063   4.771  -5.124
   44    H    LEU   4           HN       LEU   4 -10.512   0.410  -4.688
   45    HA   LEU   4           HA       LEU   4 -10.147  -1.291  -2.418
   46    HB2  LEU   4           HB2      LEU   4 -10.018  -1.749  -5.390
   47    HB3  LEU   4           HB1      LEU   4  -9.660  -3.021  -4.240
   48    HG   LEU   4           HG       LEU   4 -12.296  -1.553  -4.378
   49   HD11  LEU   4          HD11      LEU   4 -11.533  -4.270  -5.441
   50   HD12  LEU   4          HD12      LEU   4 -11.932  -2.849  -6.406
   51   HD13  LEU   4          HD13      LEU   4 -13.163  -3.603  -5.395
   52   HD21  LEU   4          HD21      LEU   4 -13.071  -3.437  -2.975
   53   HD22  LEU   4          HD22      LEU   4 -11.849  -2.449  -2.177
   54   HD23  LEU   4          HD23      LEU   4 -11.406  -4.013  -2.865
   55    H    CYS   5           HN       CYS   5  -8.347  -2.464  -1.866
   56    HA   CYS   5           HA       CYS   5  -5.913  -1.251  -1.682
   57    HB2  CYS   5           HB2      CYS   5  -6.690  -3.240  -0.429
   58    HB3  CYS   5           HB1      CYS   5  -6.420  -4.224  -1.854
   59    H    GLY   6           HN       GLY   6  -4.241  -0.869  -2.978
   60    HA2  GLY   6           HA2      GLY   6  -4.337  -1.491  -5.745
   61    HA3  GLY   6           HA1      GLY   6  -2.991  -0.749  -4.900
   62    H    VAL   7           HN       VAL   7  -3.060  -3.216  -3.059
   63    HA   VAL   7           HA       VAL   7  -1.244  -4.753  -4.733
   64    HB   VAL   7           HB       VAL   7  -1.792  -4.907  -1.767
   65   HG11  VAL   7          HG11      VAL   7   0.129  -6.425  -1.653
   66   HG12  VAL   7          HG12      VAL   7   0.229  -6.428  -3.413
   67   HG13  VAL   7          HG13      VAL   7  -1.183  -7.113  -2.611
   68   HG21  VAL   7          HG21      VAL   7  -0.582  -2.907  -2.462
   69   HG22  VAL   7          HG22      VAL   7   0.588  -3.902  -3.327
   70   HG23  VAL   7          HG23      VAL   7   0.479  -3.998  -1.570
   71    H    CYS   8           HN       CYS   8  -3.728  -5.736  -2.339
   72    HA   CYS   8           HA       CYS   8  -3.918  -8.277  -3.730
   73    HB2  CYS   8           HB2      CYS   8  -5.155  -9.076  -1.808
   74    HB3  CYS   8           HB1      CYS   8  -3.712  -8.231  -1.262
   75    H    GLY   9           HN       GLY   9  -5.852  -5.462  -3.099
   76    HA2  GLY   9           HA2      GLY   9  -7.638  -4.591  -4.216
   77    HA3  GLY   9           HA1      GLY   9  -7.339  -5.790  -5.455
   78    H    ILE  10           HN       ILE  10  -8.198  -6.538  -2.095
   79    HA   ILE  10           HA       ILE  10 -10.723  -7.598  -3.170
   80    HB   ILE  10           HB       ILE  10 -10.595  -9.259  -1.233
   81   HG12  ILE  10          HG12      ILE  10  -8.180  -9.842  -0.663
   82   HG13  ILE  10          HG11      ILE  10  -7.746  -8.258  -1.286
   83   HG21  ILE  10          HG21      ILE  10  -9.186 -10.792  -2.549
   84   HG22  ILE  10          HG22      ILE  10  -8.659  -9.427  -3.533
   85   HG23  ILE  10          HG23      ILE  10 -10.353  -9.914  -3.538
   86   HD11  ILE  10          HD11      ILE  10  -9.567  -8.823   1.039
   87   HD12  ILE  10          HD12      ILE  10  -9.206  -7.222   0.390
   88   HD13  ILE  10          HD13      ILE  10  -7.921  -8.194   1.113
   89    H    LYS  11           HN       LYS  11  -9.560  -5.219  -1.195
   90    HA   LYS  11           HA       LYS  11 -12.163  -4.727  -0.131
   91    HB2  LYS  11           HB2      LYS  11 -11.726  -4.860   2.200
   92    HB3  LYS  11           HB1      LYS  11 -11.200  -6.384   1.507
   93    HG2  LYS  11           HG2      LYS  11  -8.862  -5.405   1.487
   94    HG3  LYS  11           HG1      LYS  11  -9.509  -4.108   2.494
   95    HD2  LYS  11           HD2      LYS  11  -9.528  -7.056   3.141
   96    HD3  LYS  11           HD1      LYS  11  -8.492  -5.834   3.873
   97    HE2  LYS  11           HE2      LYS  11 -11.503  -5.891   4.046
   98    HE3  LYS  11           HE1      LYS  11 -10.406  -6.458   5.302
   99    HZ1  LYS  11           HZ1      LYS  11 -10.616  -3.671   4.296
  100    HZ2  LYS  11           HZ2      LYS  11  -9.507  -4.202   5.455
  101    HZ3  LYS  11           HZ3      LYS  11 -11.160  -4.239   5.791
  102    H    GLU  12           HN       GLU  12 -12.006  -2.754   1.452
  103    HA   GLU  12           HA       GLU  12 -11.065  -0.639  -0.151
  104    HB2  GLU  12           HB2      GLU  12 -13.015  -0.577   1.434
  105    HB3  GLU  12           HB1      GLU  12 -11.864  -0.510   2.761
  106    HG2  GLU  12           HG2      GLU  12 -10.959   1.588   1.801
  107    HG3  GLU  12           HG1      GLU  12 -12.231   1.531   0.581
  108    H    PHE  13           HN       PHE  13  -9.464   0.918   0.254
  109    HA   PHE  13           HA       PHE  13  -7.052  -0.126   1.413
  110    HB2  PHE  13           HB2      PHE  13  -5.960   1.698   0.425
  111    HB3  PHE  13           HB1      PHE  13  -7.286   1.367  -0.683
  112    HD1  PHE  13           HD2      PHE  13  -9.335   2.819  -0.591
  113    HD2  PHE  13           HD1      PHE  13  -5.757   3.765   1.512
  114    HE1  PHE  13           HE2      PHE  13 -10.093   5.150  -0.361
  115    HE2  PHE  13           HE1      PHE  13  -6.503   6.100   1.736
  116    HZ   PHE  13           HZ       PHE  13  -8.675   6.794   0.804
  117    H    LYS  14           HN       LYS  14  -5.778   1.032   2.985
  118    HA   LYS  14           HA       LYS  14  -7.201   2.955   4.661
  119    HB2  LYS  14           HB2      LYS  14  -7.561   0.835   5.777
  120    HB3  LYS  14           HB1      LYS  14  -5.851   0.447   5.674
  121    HG2  LYS  14           HG2      LYS  14  -5.324   2.270   7.185
  122    HG3  LYS  14           HG1      LYS  14  -7.028   2.717   7.263
  123    HD2  LYS  14           HD2      LYS  14  -7.543   0.528   8.244
  124    HD3  LYS  14           HD1      LYS  14  -5.833   0.102   8.178
  125    HE2  LYS  14           HE2      LYS  14  -6.346   0.827  10.406
  126    HE3  LYS  14           HE1      LYS  14  -5.347   2.054   9.632
  127    HZ1  LYS  14           HZ1      LYS  14  -7.152   3.072  10.837
  128    HZ2  LYS  14           HZ2      LYS  14  -8.293   2.164   9.984
  129    HZ3  LYS  14           HZ3      LYS  14  -7.371   3.331   9.179
  130    H    TYR  15           HN       TYR  15  -4.306   1.579   3.403
  131    HA   TYR  15           HA       TYR  15  -2.681   3.687   4.658
  132    HB2  TYR  15           HB2      TYR  15  -1.852   1.020   3.494
  133    HB3  TYR  15           HB1      TYR  15  -0.738   2.229   4.112
  134    HD1  TYR  15           HD1      TYR  15  -3.804   0.442   5.290
  135    HD2  TYR  15           HD2      TYR  15   0.115   1.810   6.195
  136    HE1  TYR  15           HE1      TYR  15  -3.973  -0.570   7.526
  137    HE2  TYR  15           HE2      TYR  15  -0.033   0.791   8.428
  138    HH   TYR  15           HH       TYR  15  -1.743   0.093  10.023
  139    H    LYS  16           HN       LYS  16  -0.723   4.202   3.228
  140    HA   LYS  16           HA       LYS  16  -1.038   3.952   0.390
  141    HB2  LYS  16           HB2      LYS  16  -2.589   5.833   0.858
  142    HB3  LYS  16           HB1      LYS  16  -1.276   6.704   1.634
  143    HG2  LYS  16           HG2      LYS  16  -0.084   6.873  -0.462
  144    HG3  LYS  16           HG1      LYS  16  -1.293   5.865  -1.261
  145    HD2  LYS  16           HD2      LYS  16  -1.655   8.219  -1.771
  146    HD3  LYS  16           HD1      LYS  16  -2.998   7.570  -0.829
  147    HE2  LYS  16           HE2      LYS  16  -2.378   9.779  -0.030
  148    HE3  LYS  16           HE1      LYS  16  -2.049   8.561   1.199
  149    HZ1  LYS  16           HZ1      LYS  16  -0.040   9.777  -0.616
  150    HZ2  LYS  16           HZ2      LYS  16   0.284   8.612   0.565
  151    HZ3  LYS  16           HZ3      LYS  16  -0.246  10.150   1.018
  152    H    CYS  17           HN       CYS  17   0.994   3.241   0.131
  153    HA   CYS  17           HA       CYS  17   3.184   3.796   1.703
  154    HB2  CYS  17           HB2      CYS  17   3.230   1.995   0.065
  155    HB3  CYS  17           HB1      CYS  17   3.177   3.158  -1.257
  156    HA   PRO  18           HA       PRO  18   3.985   8.087   0.839
  157    HB2  PRO  18           HB2      PRO  18   6.486   8.121   1.992
  158    HB3  PRO  18           HB1      PRO  18   4.972   8.289   2.889
  159    HG2  PRO  18           HG2      PRO  18   6.700   5.886   2.505
  160    HG3  PRO  18           HG1      PRO  18   5.829   6.424   3.952
  161    HD2  PRO  18           HD2      PRO  18   4.923   4.427   2.393
  162    HD3  PRO  18           HD1      PRO  18   3.824   5.547   3.225
  163    H    ARG  19           HN       ARG  19   5.734   5.385  -0.293
  164    HA   ARG  19           HA       ARG  19   7.349   7.080  -2.066
  165    HB2  ARG  19           HB2      ARG  19   7.728   4.247  -1.122
  166    HB3  ARG  19           HB1      ARG  19   8.645   4.929  -2.458
  167    HG2  ARG  19           HG2      ARG  19   9.371   6.756  -0.881
  168    HG3  ARG  19           HG1      ARG  19   8.621   5.828   0.416
  169    HD2  ARG  19           HD2      ARG  19  10.105   3.937  -0.110
  170    HD3  ARG  19           HD1      ARG  19  10.876   4.911  -1.361
  171    HE   ARG  19           HE       ARG  19  10.889   5.775   1.463
  172   HH11  ARG  19          HH11      ARG  19  12.597   5.003  -1.499
  173   HH12  ARG  19          HH12      ARG  19  14.136   5.503  -0.884
  174   HH21  ARG  19          HH21      ARG  19  12.917   6.419   2.272
  175   HH22  ARG  19          HH22      ARG  19  14.322   6.305   1.261
  176    H    CYS  20           HN       CYS  20   5.231   4.220  -2.066
  177    HA   CYS  20           HA       CYS  20   5.327   4.163  -4.974
  178    HB2  CYS  20           HB2      CYS  20   3.806   2.367  -3.080
  179    HB3  CYS  20           HB1      CYS  20   3.984   2.128  -4.808
  180    H    LEU  21           HN       LEU  21   3.365   5.363  -2.481
  181    HA   LEU  21           HA       LEU  21   1.375   6.398  -2.350
  182    HB2  LEU  21           HB2      LEU  21   1.468   6.546  -5.360
  183    HB3  LEU  21           HB1      LEU  21   0.436   7.489  -4.303
  184    HG   LEU  21           HG       LEU  21   3.369   7.763  -4.814
  185   HD11  LEU  21          HD11      LEU  21   1.091   9.718  -4.626
  186   HD12  LEU  21          HD12      LEU  21   1.805   9.089  -6.112
  187   HD13  LEU  21          HD13      LEU  21   2.760  10.113  -5.039
  188   HD21  LEU  21          HD21      LEU  21   3.271   7.606  -2.417
  189   HD22  LEU  21          HD22      LEU  21   1.917   8.740  -2.356
  190   HD23  LEU  21          HD23      LEU  21   3.511   9.294  -2.875
  191    H    VAL  22           HN       VAL  22   1.714   3.411  -3.265
  192    HA   VAL  22           HA       VAL  22  -0.823   2.795  -4.380
  193    HB   VAL  22           HB       VAL  22   1.115   1.307  -4.727
  194   HG11  VAL  22          HG11      VAL  22   1.901  -0.179  -2.980
  195   HG12  VAL  22          HG12      VAL  22   0.809   0.575  -1.821
  196   HG13  VAL  22          HG13      VAL  22   2.141   1.503  -2.507
  197   HG21  VAL  22          HG21      VAL  22  -1.200   0.014  -3.296
  198   HG22  VAL  22          HG22      VAL  22  -0.052  -0.817  -4.346
  199   HG23  VAL  22          HG23      VAL  22  -1.121   0.420  -5.010
  200    H    GLN  23           HN       GLN  23  -2.646   2.758  -3.401
  201    HA   GLN  23           HA       GLN  23  -2.857   3.094  -0.554
  202    HB2  GLN  23           HB2      GLN  23  -4.981   2.753  -2.688
  203    HB3  GLN  23           HB1      GLN  23  -5.288   3.208  -1.015
  204    HG2  GLN  23           HG2      GLN  23  -4.033   5.251  -1.298
  205    HG3  GLN  23           HG1      GLN  23  -3.594   4.788  -2.938
  206   HE21  GLN  23          HE21      GLN  23  -6.771   4.243  -1.604
  207   HE22  GLN  23          HE22      GLN  23  -7.588   5.410  -2.580
  208    H    THR  24           HN       THR  24  -2.451   1.426   0.656
  209    HA   THR  24           HA       THR  24  -3.195  -1.262  -0.216
  210    HB   THR  24           HB       THR  24  -1.728  -1.846   1.861
  211    HG1  THR  24           HG1      THR  24  -0.595   0.684   1.288
  212   HG21  THR  24          HG21      THR  24  -0.545  -0.626  -0.633
  213   HG22  THR  24          HG22      THR  24  -1.037  -2.306  -0.411
  214   HG23  THR  24          HG23      THR  24   0.324  -1.657   0.505
  215    H    CYS  25           HN       CYS  25  -4.248  -2.701   1.226
  216    HA   CYS  25           HA       CYS  25  -6.383  -1.462   2.658
  217    HB2  CYS  25           HB2      CYS  25  -7.201  -3.728   3.029
  218    HB3  CYS  25           HB1      CYS  25  -6.700  -3.538   1.361
  219    H    SER  26           HN       SER  26  -3.357  -2.940   3.501
  220    HA   SER  26           HA       SER  26  -3.577  -2.111   6.223
  221    HB2  SER  26           HB2      SER  26  -3.662  -5.076   5.603
  222    HB3  SER  26           HB1      SER  26  -3.308  -4.408   7.195
  223    HG   SER  26           HG       SER  26  -5.537  -3.268   6.271
  224    H    LEU  27           HN       LEU  27  -1.582  -3.044   7.477
  225    HA   LEU  27           HA       LEU  27   0.647  -2.019   6.123
  226    HB2  LEU  27           HB2      LEU  27   0.159  -2.317   8.671
  227    HB3  LEU  27           HB1      LEU  27   0.925  -3.879   8.448
  228    HG   LEU  27           HG       LEU  27   2.903  -2.592   7.479
  229   HD11  LEU  27          HD11      LEU  27   1.715  -0.481   7.120
  230   HD12  LEU  27          HD12      LEU  27   3.149  -0.288   8.126
  231   HD13  LEU  27          HD13      LEU  27   1.550  -0.299   8.866
  232   HD21  LEU  27          HD21      LEU  27   2.181  -2.242  10.380
  233   HD22  LEU  27          HD22      LEU  27   3.802  -2.091   9.703
  234   HD23  LEU  27          HD23      LEU  27   2.972  -3.645   9.662
  235    H    GLU  28           HN       GLU  28  -0.549  -5.284   6.498
  236    HA   GLU  28           HA       GLU  28   1.576  -6.815   5.734
  237    HB2  GLU  28           HB2      GLU  28  -0.266  -8.232   4.663
  238    HB3  GLU  28           HB1      GLU  28  -0.314  -7.968   6.394
  239    HG2  GLU  28           HG2      GLU  28  -2.034  -6.369   6.166
  240    HG3  GLU  28           HG1      GLU  28  -1.842  -6.313   4.418
  241    H    CYS  29           HN       CYS  29  -0.749  -5.161   3.652
  242    HA   CYS  29           HA       CYS  29   0.548  -6.030   1.245
  243    HB2  CYS  29           HB2      CYS  29  -1.770  -4.292   1.947
  244    HB3  CYS  29           HB1      CYS  29  -1.099  -4.187   0.327
  245    H    SER  30           HN       SER  30   0.658  -3.301   3.383
  246    HA   SER  30           HA       SER  30   1.977  -1.470   1.676
  247    HB2  SER  30           HB2      SER  30   2.304  -1.629   4.674
  248    HB3  SER  30           HB1      SER  30   2.412  -0.201   3.646
  249    HG   SER  30           HG       SER  30   0.166  -0.454   3.210
  250    H    LYS  31           HN       LYS  31   3.053  -4.154   3.620
  251    HA   LYS  31           HA       LYS  31   5.862  -3.507   3.115
  252    HB2  LYS  31           HB2      LYS  31   6.397  -5.192   4.757
  253    HB3  LYS  31           HB1      LYS  31   5.134  -4.158   5.415
  254    HG2  LYS  31           HG2      LYS  31   3.459  -5.853   4.797
  255    HG3  LYS  31           HG1      LYS  31   4.757  -6.894   4.214
  256    HD2  LYS  31           HD2      LYS  31   4.199  -7.637   6.398
  257    HD3  LYS  31           HD1      LYS  31   5.737  -6.786   6.526
  258    HE2  LYS  31           HE2      LYS  31   4.591  -4.802   7.345
  259    HE3  LYS  31           HE1      LYS  31   3.035  -5.610   7.167
  260    HZ1  LYS  31           HZ1      LYS  31   3.740  -7.239   8.807
  261    HZ2  LYS  31           HZ2      LYS  31   3.794  -5.679   9.450
  262    HZ3  LYS  31           HZ3      LYS  31   5.224  -6.451   8.988
  263    H    LYS  32           HN       LYS  32   3.405  -5.188   1.661
  264    HA   LYS  32           HA       LYS  32   4.759  -7.606   0.991
  265    HB2  LYS  32           HB2      LYS  32   2.247  -7.210   1.097
  266    HB3  LYS  32           HB1      LYS  32   2.415  -6.444  -0.481
  267    HG2  LYS  32           HG2      LYS  32   3.180  -8.458  -1.469
  268    HG3  LYS  32           HG1      LYS  32   3.342  -9.240   0.105
  269    HD2  LYS  32           HD2      LYS  32   0.933  -9.079   0.429
  270    HD3  LYS  32           HD1      LYS  32   0.770  -8.313  -1.151
  271    HE2  LYS  32           HE2      LYS  32   1.784 -11.099  -0.604
  272    HE3  LYS  32           HE1      LYS  32   0.224 -10.672  -1.303
  273    HZ1  LYS  32           HZ1      LYS  32   1.755 -11.318  -3.023
  274    HZ2  LYS  32           HZ2      LYS  32   2.884 -10.169  -2.518
  275    HZ3  LYS  32           HZ3      LYS  32   1.409  -9.672  -3.177
  276    H    HIS  33           HN       HIS  33   4.154  -4.543  -0.692
  277    HA   HIS  33           HA       HIS  33   5.294  -5.423  -3.147
  278    HB2  HIS  33           HB2      HIS  33   5.192  -3.090  -3.854
  279    HB3  HIS  33           HB1      HIS  33   3.694  -3.554  -3.058
  280    HD1  HIS  33           HD1      HIS  33   2.853  -1.648  -1.698
  281    HD2  HIS  33           HD2      HIS  33   6.988  -1.887  -1.648
  282    HE1  HIS  33           HE1      HIS  33   3.653   0.232  -0.213
  283    H    LYS  34           HN       LYS  34   6.688  -4.764  -0.217
  284    HA   LYS  34           HA       LYS  34   9.044  -3.399  -1.113
  285    HB2  LYS  34           HB2      LYS  34   8.493  -4.805   1.505
  286    HB3  LYS  34           HB1      LYS  34   9.835  -3.714   1.185
  287    HG2  LYS  34           HG2      LYS  34   8.205  -1.908   0.742
  288    HG3  LYS  34           HG1      LYS  34   6.908  -3.013   1.197
  289    HD2  LYS  34           HD2      LYS  34   7.886  -3.236   3.433
  290    HD3  LYS  34           HD1      LYS  34   9.185  -2.131   2.973
  291    HE2  LYS  34           HE2      LYS  34   7.507  -0.385   2.540
  292    HE3  LYS  34           HE1      LYS  34   6.239  -1.481   3.075
  293    HZ1  LYS  34           HZ1      LYS  34   6.844  -0.010   4.854
  294    HZ2  LYS  34           HZ2      LYS  34   8.475  -0.434   4.725
  295    HZ3  LYS  34           HZ3      LYS  34   7.345  -1.575   5.256
  296    H    THR  35           HN       THR  35   8.011  -6.658  -1.052
  297    HA   THR  35           HA       THR  35  10.704  -7.721  -0.943
  298    HB   THR  35           HB       THR  35   8.725  -8.911   0.069
  299    HG1  THR  35           HG1      THR  35  10.837  -9.883  -0.782
  300   HG21  THR  35          HG21      THR  35   7.107  -8.574  -1.718
  301   HG22  THR  35          HG22      THR  35   7.350 -10.296  -1.432
  302   HG23  THR  35          HG23      THR  35   8.103  -9.519  -2.824
  303    H    ARG  36           HN       ARG  36   8.630  -6.477  -3.299
  304    HA   ARG  36           HA       ARG  36  10.064  -7.886  -5.443
  305    HB2  ARG  36           HB2      ARG  36   8.186  -6.966  -6.911
  306    HB3  ARG  36           HB1      ARG  36   7.763  -8.244  -5.783
  307    HG2  ARG  36           HG2      ARG  36   6.790  -6.639  -4.265
  308    HG3  ARG  36           HG1      ARG  36   7.308  -5.308  -5.298
  309    HD2  ARG  36           HD2      ARG  36   5.454  -7.490  -6.228
  310    HD3  ARG  36           HD1      ARG  36   4.882  -5.995  -5.491
  311    HE   ARG  36           HE       ARG  36   6.635  -5.746  -7.809
  312   HH11  ARG  36          HH11      ARG  36   3.359  -5.702  -6.553
  313   HH12  ARG  36          HH12      ARG  36   2.724  -4.809  -7.896
  314   HH21  ARG  36          HH21      ARG  36   5.788  -4.555  -9.571
  315   HH22  ARG  36          HH22      ARG  36   4.096  -4.172  -9.614
  316    H    ASP  37           HN       ASP  37   9.166  -4.697  -4.237
  317    HA   ASP  37           HA       ASP  37  10.692  -3.433  -6.397
  318    HB2  ASP  37           HB2      ASP  37   8.406  -2.605  -5.913
  319    HB3  ASP  37           HB1      ASP  37   8.926  -2.172  -4.288
  320    H    ASN  38           HN       ASN  38  11.072  -4.422  -3.215
  321    HA   ASN  38           HA       ASN  38  12.665  -4.163  -1.627
  322    HB2  ASN  38           HB2      ASN  38  14.169  -4.279  -3.692
  323    HB3  ASN  38           HB1      ASN  38  14.259  -2.526  -3.603
  324   HD21  ASN  38          HD21      ASN  38  15.539  -1.583  -2.070
  325   HD22  ASN  38          HD22      ASN  38  16.584  -2.482  -1.031
  326    H    CYS  39           HN       CYS  39  10.599  -2.085  -2.402
  327    HA   CYS  39           HA       CYS  39  11.399   0.488  -1.729
  328    HB2  CYS  39           HB2      CYS  39   9.283   0.050  -2.796
  329    HB3  CYS  39           HB1      CYS  39   8.750  -0.932  -1.440
  330    H    SER  40           HN       SER  40  11.667   1.563   0.151
  331    HA   SER  40           HA       SER  40  11.791   0.072   2.610
  332    HB2  SER  40           HB2      SER  40  13.459   1.813   2.106
  333    HB3  SER  40           HB1      SER  40  12.188   3.033   2.086
  334    HG   SER  40           HG       SER  40  13.061   1.472   4.293
  335    H    GLY  41           HN       GLY  41   9.622   2.270   1.046
  336    HA2  GLY  41           HA2      GLY  41   7.419   2.752   1.445
  337    HA3  GLY  41           HA1      GLY  41   7.437   1.498   2.668
  338    H    GLN  42           HN       GLN  42   9.508   4.346   2.709
  339    HA   GLN  42           HA       GLN  42   7.838   5.706   4.608
  340    HB2  GLN  42           HB2      GLN  42   9.004   4.003   6.010
  341    HB3  GLN  42           HB1      GLN  42  10.544   4.659   5.477
  342    HG2  GLN  42           HG2      GLN  42  10.093   6.753   6.561
  343    HG3  GLN  42           HG1      GLN  42   8.461   6.233   6.974
  344   HE21  GLN  42          HE21      GLN  42  11.208   4.095   7.166
  345   HE22  GLN  42          HE22      GLN  42  11.258   4.002   8.889
  346    H    THR  43           HN       THR  43   8.307   7.862   4.628
  347    HA   THR  43           HA       THR  43  10.831   8.689   3.405
  348    HB   THR  43           HB       THR  43   9.584  10.662   2.415
  349    HG1  THR  43           HG1      THR  43   7.266  10.082   2.034
  350   HG21  THR  43          HG21      THR  43  10.336   8.830   1.003
  351   HG22  THR  43          HG22      THR  43   8.762   9.410   0.462
  352   HG23  THR  43          HG23      THR  43   8.879   7.912   1.386
  353    H    HIS  44           HN       HIS  44  11.601  10.762   4.155
  354    HA   HIS  44           HA       HIS  44  10.318  11.641   6.657
  355    HB2  HIS  44           HB2      HIS  44  12.689  10.775   6.813
  356    HB3  HIS  44           HB1      HIS  44  13.181  12.146   5.825
  357    HD1  HIS  44           HD1      HIS  44  11.718  11.348   9.214
  358    HD2  HIS  44           HD2      HIS  44  13.500  14.517   7.195
  359    HE1  HIS  44           HE1      HIS  44  12.155  13.104  10.960
  360    HE2  HIS  44           HE2      HIS  44  13.272  14.996   9.728
  361    H    ASP  45           HN       ASP  45   8.942  13.171   6.016
  362    HA   ASP  45           HA       ASP  45   8.086  15.073   5.149
  363    HB2  ASP  45           HB2      ASP  45  10.997  15.878   5.101
  364    HB3  ASP  45           HB1      ASP  45   9.691  16.967   4.646
  Start of MODEL   18
    1    H1   GLY  -2           HT1      GLY  -2 -23.623   2.097  -8.497
    2    H2   GLY  -2           HT2      GLY  -2 -23.636   0.439  -8.167
    3    H3   GLY  -2           HT3      GLY  -2 -22.367   1.114  -9.057
    4    HA2  GLY  -2           HA1      GLY  -2 -22.975   1.725  -6.223
    5    HA3  GLY  -2           HA2      GLY  -2 -21.706   0.638  -6.770
    6    HA   PRO  -1           HA       PRO  -1 -20.473   5.292  -7.079
    7    HB2  PRO  -1           HB2      PRO  -1 -19.998   6.085  -4.541
    8    HB3  PRO  -1           HB1      PRO  -1 -21.577   6.279  -5.310
    9    HG2  PRO  -1           HG2      PRO  -1 -20.648   4.167  -3.401
   10    HG3  PRO  -1           HG1      PRO  -1 -22.187   5.050  -3.431
   11    HD2  PRO  -1           HD2      PRO  -1 -21.905   2.529  -4.411
   12    HD3  PRO  -1           HD1      PRO  -1 -23.074   3.694  -5.064
   13    H    HIS   0           HN       HIS   0 -18.291   6.150  -6.522
   14    HA   HIS   0           HA       HIS   0 -16.466   3.953  -5.802
   15    HB2  HIS   0           HB2      HIS   0 -14.794   4.946  -7.335
   16    HB3  HIS   0           HB1      HIS   0 -16.248   4.427  -8.177
   17    HD1  HIS   0           HD1      HIS   0 -14.087   7.339  -7.614
   18    HD2  HIS   0           HD2      HIS   0 -17.931   6.625  -9.023
   19    HE1  HIS   0           HE1      HIS   0 -14.768   9.439  -8.817
   20    HE2  HIS   0           HE2      HIS   0 -17.164   9.050  -9.484
   21    H    MET   1           HN       MET   1 -17.429   5.406  -3.795
   22    HA   MET   1           HA       MET   1 -15.951   7.783  -3.224
   23    HB2  MET   1           HB2      MET   1 -17.481   5.980  -1.338
   24    HB3  MET   1           HB1      MET   1 -16.938   7.613  -0.985
   25    HG2  MET   1           HG2      MET   1 -18.389   8.458  -2.780
   26    HG3  MET   1           HG1      MET   1 -18.963   6.818  -3.059
   27    HE1  MET   1           HE1      MET   1 -20.329   5.406  -1.274
   28    HE2  MET   1           HE2      MET   1 -20.806   6.019   0.309
   29    HE3  MET   1           HE3      MET   1 -19.107   5.699  -0.037
   30    H    ALA   2           HN       ALA   2 -15.676   4.395  -2.369
   31    HA   ALA   2           HA       ALA   2 -13.191   4.914  -0.924
   32    HB1  ALA   2           HB1      ALA   2 -14.862   3.482   0.173
   33    HB2  ALA   2           HB2      ALA   2 -13.359   2.618  -0.148
   34    HB3  ALA   2           HB3      ALA   2 -14.766   2.352  -1.177
   35    H    VAL   3           HN       VAL   3 -11.457   3.252  -1.331
   36    HA   VAL   3           HA       VAL   3 -11.310   2.552  -4.179
   37    HB   VAL   3           HB       VAL   3  -9.077   3.739  -2.519
   38   HG11  VAL   3          HG11      VAL   3  -7.740   3.630  -4.558
   39   HG12  VAL   3          HG12      VAL   3  -9.062   2.810  -5.387
   40   HG13  VAL   3          HG13      VAL   3  -8.243   2.024  -4.037
   41   HG21  VAL   3          HG21      VAL   3 -10.694   5.405  -3.255
   42   HG22  VAL   3          HG22      VAL   3 -10.552   4.827  -4.915
   43   HG23  VAL   3          HG23      VAL   3  -9.171   5.587  -4.126
   44    H    LEU   4           HN       LEU   4 -10.544   0.561  -4.617
   45    HA   LEU   4           HA       LEU   4 -10.161  -1.279  -2.455
   46    HB2  LEU   4           HB2      LEU   4 -10.078  -1.529  -5.444
   47    HB3  LEU   4           HB1      LEU   4  -9.586  -2.856  -4.411
   48    HG   LEU   4           HG       LEU   4 -12.320  -1.573  -4.383
   49   HD11  LEU   4          HD11      LEU   4 -11.942  -2.762  -6.461
   50   HD12  LEU   4          HD12      LEU   4 -13.058  -3.666  -5.438
   51   HD13  LEU   4          HD13      LEU   4 -11.377  -4.177  -5.573
   52   HD21  LEU   4          HD21      LEU   4 -12.918  -3.558  -3.027
   53   HD22  LEU   4          HD22      LEU   4 -11.763  -2.498  -2.224
   54   HD23  LEU   4          HD23      LEU   4 -11.211  -4.001  -2.967
   55    H    CYS   5           HN       CYS   5  -8.368  -2.430  -1.968
   56    HA   CYS   5           HA       CYS   5  -5.938  -1.168  -1.753
   57    HB2  CYS   5           HB2      CYS   5  -6.705  -3.107  -0.450
   58    HB3  CYS   5           HB1      CYS   5  -6.505  -4.133  -1.855
   59    H    GLY   6           HN       GLY   6  -4.304  -0.768  -3.086
   60    HA2  GLY   6           HA2      GLY   6  -4.359  -1.430  -5.827
   61    HA3  GLY   6           HA1      GLY   6  -3.005  -0.722  -4.973
   62    H    VAL   7           HN       VAL   7  -3.088  -3.163  -3.129
   63    HA   VAL   7           HA       VAL   7  -1.276  -4.721  -4.778
   64    HB   VAL   7           HB       VAL   7  -1.892  -4.873  -1.826
   65   HG11  VAL   7          HG11      VAL   7  -1.313  -7.087  -2.667
   66   HG12  VAL   7          HG12      VAL   7  -0.017  -6.439  -1.661
   67   HG13  VAL   7          HG13      VAL   7   0.144  -6.434  -3.418
   68   HG21  VAL   7          HG21      VAL   7   0.531  -3.903  -3.337
   69   HG22  VAL   7          HG22      VAL   7   0.393  -4.009  -1.583
   70   HG23  VAL   7          HG23      VAL   7  -0.639  -2.898  -2.483
   71    H    CYS   8           HN       CYS   8  -3.924  -5.600  -2.525
   72    HA   CYS   8           HA       CYS   8  -4.114  -8.149  -3.934
   73    HB2  CYS   8           HB2      CYS   8  -5.348  -8.965  -2.023
   74    HB3  CYS   8           HB1      CYS   8  -3.881  -8.168  -1.470
   75    H    GLY   9           HN       GLY   9  -6.007  -5.337  -3.129
   76    HA2  GLY   9           HA2      GLY   9  -7.785  -4.390  -4.213
   77    HA3  GLY   9           HA1      GLY   9  -7.577  -5.596  -5.466
   78    H    ILE  10           HN       ILE  10  -8.167  -6.614  -2.169
   79    HA   ILE  10           HA       ILE  10 -10.764  -7.575  -3.144
   80    HB   ILE  10           HB       ILE  10 -10.570  -9.224  -1.191
   81   HG12  ILE  10          HG12      ILE  10  -8.121  -9.799  -0.748
   82   HG13  ILE  10          HG11      ILE  10  -7.737  -8.202  -1.371
   83   HG21  ILE  10          HG21      ILE  10  -9.216 -10.757  -2.566
   84   HG22  ILE  10          HG22      ILE  10  -8.742  -9.393  -3.579
   85   HG23  ILE  10          HG23      ILE  10 -10.433  -9.890  -3.500
   86   HD11  ILE  10          HD11      ILE  10  -7.808  -8.197   1.046
   87   HD12  ILE  10          HD12      ILE  10  -9.467  -8.796   1.015
   88   HD13  ILE  10          HD13      ILE  10  -9.098  -7.190   0.380
   89    H    LYS  11           HN       LYS  11  -9.424  -5.365  -0.981
   90    HA   LYS  11           HA       LYS  11 -12.061  -4.794   0.027
   91    HB2  LYS  11           HB2      LYS  11 -11.534  -4.837   2.361
   92    HB3  LYS  11           HB1      LYS  11 -11.113  -6.399   1.689
   93    HG2  LYS  11           HG2      LYS  11  -8.727  -5.457   1.538
   94    HG3  LYS  11           HG1      LYS  11  -9.316  -4.227   2.663
   95    HD2  LYS  11           HD2      LYS  11 -10.087  -6.030   4.165
   96    HD3  LYS  11           HD1      LYS  11  -9.391  -7.210   3.059
   97    HE2  LYS  11           HE2      LYS  11  -7.753  -7.008   4.660
   98    HE3  LYS  11           HE1      LYS  11  -7.208  -5.893   3.413
   99    HZ1  LYS  11           HZ1      LYS  11  -7.006  -4.902   5.592
  100    HZ2  LYS  11           HZ2      LYS  11  -8.647  -5.158   5.905
  101    HZ3  LYS  11           HZ3      LYS  11  -8.180  -4.072   4.701
  102    H    GLU  12           HN       GLU  12 -11.972  -2.772   1.443
  103    HA   GLU  12           HA       GLU  12 -11.028  -0.663  -0.092
  104    HB2  GLU  12           HB2      GLU  12 -11.868  -0.821   2.795
  105    HB3  GLU  12           HB1      GLU  12 -11.465   0.699   2.008
  106    HG2  GLU  12           HG2      GLU  12 -13.271   0.542   0.531
  107    HG3  GLU  12           HG1      GLU  12 -13.540  -1.160   0.912
  108    H    PHE  13           HN       PHE  13  -9.497   0.978   0.400
  109    HA   PHE  13           HA       PHE  13  -6.997  -0.111   1.375
  110    HB2  PHE  13           HB2      PHE  13  -5.935   1.717   0.370
  111    HB3  PHE  13           HB1      PHE  13  -7.292   1.393  -0.701
  112    HD1  PHE  13           HD1      PHE  13  -9.292   2.877  -0.629
  113    HD2  PHE  13           HD2      PHE  13  -5.724   3.763   1.520
  114    HE1  PHE  13           HE1      PHE  13 -10.016   5.218  -0.397
  115    HE2  PHE  13           HE2      PHE  13  -6.439   6.105   1.751
  116    HZ   PHE  13           HZ       PHE  13  -8.591   6.835   0.795
  117    H    LYS  14           HN       LYS  14  -5.659   1.165   2.860
  118    HA   LYS  14           HA       LYS  14  -7.091   2.898   4.709
  119    HB2  LYS  14           HB2      LYS  14  -7.398   0.623   5.579
  120    HB3  LYS  14           HB1      LYS  14  -5.663   0.372   5.555
  121    HG2  LYS  14           HG2      LYS  14  -5.362   2.070   7.250
  122    HG3  LYS  14           HG1      LYS  14  -7.095   2.412   7.245
  123    HD2  LYS  14           HD2      LYS  14  -5.841  -0.238   7.952
  124    HD3  LYS  14           HD1      LYS  14  -6.416   0.954   9.119
  125    HE2  LYS  14           HE2      LYS  14  -8.678   0.740   8.205
  126    HE3  LYS  14           HE1      LYS  14  -8.095  -0.454   7.048
  127    HZ1  LYS  14           HZ1      LYS  14  -9.120  -1.530   8.924
  128    HZ2  LYS  14           HZ2      LYS  14  -8.084  -0.741   9.999
  129    HZ3  LYS  14           HZ3      LYS  14  -7.464  -1.874   8.909
  130    H    TYR  15           HN       TYR  15  -4.234   1.706   3.235
  131    HA   TYR  15           HA       TYR  15  -2.640   3.798   4.557
  132    HB2  TYR  15           HB2      TYR  15  -1.704   1.136   3.469
  133    HB3  TYR  15           HB1      TYR  15  -0.654   2.382   4.127
  134    HD1  TYR  15           HD2      TYR  15  -3.607   0.331   5.101
  135    HD2  TYR  15           HD1      TYR  15   0.010   2.190   6.322
  136    HE1  TYR  15           HE2      TYR  15  -3.851  -0.680   7.331
  137    HE2  TYR  15           HE1      TYR  15  -0.209   1.177   8.554
  138    HH   TYR  15           HH       TYR  15  -2.034   0.292   9.999
  139    H    LYS  16           HN       LYS  16  -0.848   4.599   3.194
  140    HA   LYS  16           HA       LYS  16  -1.011   4.052   0.349
  141    HB2  LYS  16           HB2      LYS  16  -2.558   5.977   0.742
  142    HB3  LYS  16           HB1      LYS  16  -1.205   6.885   1.402
  143    HG2  LYS  16           HG2      LYS  16  -0.113   6.966  -0.704
  144    HG3  LYS  16           HG1      LYS  16  -1.215   5.772  -1.392
  145    HD2  LYS  16           HD2      LYS  16  -1.802   7.982  -2.184
  146    HD3  LYS  16           HD1      LYS  16  -3.073   7.369  -1.125
  147    HE2  LYS  16           HE2      LYS  16  -2.689   9.670  -0.586
  148    HE3  LYS  16           HE1      LYS  16  -2.070   8.682   0.734
  149    HZ1  LYS  16           HZ1      LYS  16  -0.442   9.912  -1.420
  150    HZ2  LYS  16           HZ2      LYS  16   0.158   8.966  -0.157
  151    HZ3  LYS  16           HZ3      LYS  16  -0.548  10.462   0.173
  152    H    CYS  17           HN       CYS  17   1.016   3.324   0.141
  153    HA   CYS  17           HA       CYS  17   3.212   3.996   1.684
  154    HB2  CYS  17           HB2      CYS  17   3.247   2.044   0.233
  155    HB3  CYS  17           HB1      CYS  17   3.185   3.069  -1.199
  156    HA   PRO  18           HA       PRO  18   4.020   8.204   0.485
  157    HB2  PRO  18           HB2      PRO  18   6.590   8.278   1.500
  158    HB3  PRO  18           HB1      PRO  18   5.126   8.565   2.442
  159    HG2  PRO  18           HG2      PRO  18   6.776   6.091   2.202
  160    HG3  PRO  18           HG1      PRO  18   5.973   6.773   3.628
  161    HD2  PRO  18           HD2      PRO  18   4.958   4.674   2.299
  162    HD3  PRO  18           HD1      PRO  18   3.912   5.904   3.039
  163    H    ARG  19           HN       ARG  19   5.852   5.452  -0.510
  164    HA   ARG  19           HA       ARG  19   7.313   7.051  -2.489
  165    HB2  ARG  19           HB2      ARG  19   7.678   4.196  -1.581
  166    HB3  ARG  19           HB1      ARG  19   8.552   4.902  -2.929
  167    HG2  ARG  19           HG2      ARG  19   9.253   6.701  -1.190
  168    HG3  ARG  19           HG1      ARG  19   8.789   5.466  -0.012
  169    HD2  ARG  19           HD2      ARG  19  11.197   5.399  -0.599
  170    HD3  ARG  19           HD1      ARG  19  10.345   3.898  -0.967
  171    HE   ARG  19           HE       ARG  19  10.258   5.363  -3.285
  172   HH11  ARG  19          HH11      ARG  19  12.812   4.155  -1.219
  173   HH12  ARG  19          HH12      ARG  19  13.931   3.947  -2.524
  174   HH21  ARG  19          HH21      ARG  19  11.721   5.075  -4.996
  175   HH22  ARG  19          HH22      ARG  19  13.313   4.468  -4.671
  176    H    CYS  20           HN       CYS  20   5.157   4.244  -2.246
  177    HA   CYS  20           HA       CYS  20   5.164   3.989  -5.144
  178    HB2  CYS  20           HB2      CYS  20   3.812   2.257  -3.068
  179    HB3  CYS  20           HB1      CYS  20   3.981   1.880  -4.777
  180    H    LEU  21           HN       LEU  21   3.290   5.371  -2.709
  181    HA   LEU  21           HA       LEU  21   1.271   6.349  -2.569
  182    HB2  LEU  21           HB2      LEU  21   1.355   6.394  -5.582
  183    HB3  LEU  21           HB1      LEU  21   0.337   7.383  -4.556
  184    HG   LEU  21           HG       LEU  21   3.271   7.611  -5.083
  185   HD11  LEU  21          HD11      LEU  21   2.693   9.959  -5.386
  186   HD12  LEU  21          HD12      LEU  21   1.021   9.605  -4.953
  187   HD13  LEU  21          HD13      LEU  21   1.718   8.916  -6.420
  188   HD21  LEU  21          HD21      LEU  21   3.435   9.206  -3.198
  189   HD22  LEU  21          HD22      LEU  21   3.186   7.536  -2.686
  190   HD23  LEU  21          HD23      LEU  21   1.840   8.680  -2.653
  191    H    VAL  22           HN       VAL  22   1.549   3.371  -3.120
  192    HA   VAL  22           HA       VAL  22  -0.925   2.673  -4.370
  193    HB   VAL  22           HB       VAL  22   0.991   1.169  -4.605
  194   HG11  VAL  22          HG11      VAL  22   0.731   0.682  -1.642
  195   HG12  VAL  22          HG12      VAL  22   2.053   1.540  -2.432
  196   HG13  VAL  22          HG13      VAL  22   1.806  -0.178  -2.745
  197   HG21  VAL  22          HG21      VAL  22  -0.145  -0.937  -4.035
  198   HG22  VAL  22          HG22      VAL  22  -1.226   0.229  -4.796
  199   HG23  VAL  22          HG23      VAL  22  -1.297  -0.031  -3.054
  200    H    GLN  23           HN       GLN  23  -2.774   2.681  -3.458
  201    HA   GLN  23           HA       GLN  23  -3.150   3.099  -0.650
  202    HB2  GLN  23           HB2      GLN  23  -5.138   2.486  -2.852
  203    HB3  GLN  23           HB1      GLN  23  -5.551   3.032  -1.232
  204    HG2  GLN  23           HG2      GLN  23  -4.483   5.143  -1.603
  205    HG3  GLN  23           HG1      GLN  23  -3.853   4.601  -3.157
  206   HE21  GLN  23          HE21      GLN  23  -6.663   5.664  -1.416
  207   HE22  GLN  23          HE22      GLN  23  -7.662   5.944  -2.797
  208    H    THR  24           HN       THR  24  -2.454   1.420   0.514
  209    HA   THR  24           HA       THR  24  -3.184  -1.299  -0.238
  210    HB   THR  24           HB       THR  24  -1.680  -1.788   1.842
  211    HG1  THR  24           HG1      THR  24  -0.630   0.757   1.166
  212   HG21  THR  24          HG21      THR  24  -0.586  -0.638  -0.723
  213   HG22  THR  24          HG22      THR  24  -1.004  -2.323  -0.409
  214   HG23  THR  24          HG23      THR  24   0.350  -1.575   0.440
  215    H    CYS  25           HN       CYS  25  -4.249  -2.710   1.181
  216    HA   CYS  25           HA       CYS  25  -6.362  -1.448   2.646
  217    HB2  CYS  25           HB2      CYS  25  -7.227  -3.703   2.986
  218    HB3  CYS  25           HB1      CYS  25  -6.769  -3.495   1.313
  219    H    SER  26           HN       SER  26  -3.365  -3.010   3.401
  220    HA   SER  26           HA       SER  26  -3.552  -2.249   6.158
  221    HB2  SER  26           HB2      SER  26  -3.527  -5.195   5.437
  222    HB3  SER  26           HB1      SER  26  -3.259  -4.555   7.057
  223    HG   SER  26           HG       SER  26  -5.478  -3.449   6.279
  224    H    LEU  27           HN       LEU  27  -1.503  -3.074   7.337
  225    HA   LEU  27           HA       LEU  27   0.715  -2.159   5.884
  226    HB2  LEU  27           HB2      LEU  27   0.218  -2.471   8.490
  227    HB3  LEU  27           HB1      LEU  27   1.130  -3.941   8.234
  228    HG   LEU  27           HG       LEU  27   2.498  -2.065   9.096
  229   HD11  LEU  27          HD11      LEU  27   4.345  -2.287   7.512
  230   HD12  LEU  27          HD12      LEU  27   3.246  -3.016   6.342
  231   HD13  LEU  27          HD13      LEU  27   3.585  -3.838   7.865
  232   HD21  LEU  27          HD21      LEU  27   1.306  -0.256   7.930
  233   HD22  LEU  27          HD22      LEU  27   1.998  -0.806   6.404
  234   HD23  LEU  27          HD23      LEU  27   3.049  -0.194   7.678
  235    H    GLU  28           HN       GLU  28  -0.588  -5.350   6.416
  236    HA   GLU  28           HA       GLU  28   1.443  -7.008   5.574
  237    HB2  GLU  28           HB2      GLU  28  -0.660  -7.860   6.417
  238    HB3  GLU  28           HB1      GLU  28  -1.524  -7.196   5.039
  239    HG2  GLU  28           HG2      GLU  28  -0.371  -8.736   3.555
  240    HG3  GLU  28           HG1      GLU  28   0.536  -9.383   4.920
  241    H    CYS  29           HN       CYS  29  -0.809  -5.147   3.567
  242    HA   CYS  29           HA       CYS  29   0.409  -6.122   1.141
  243    HB2  CYS  29           HB2      CYS  29  -1.862  -4.308   1.794
  244    HB3  CYS  29           HB1      CYS  29  -1.155  -4.244   0.188
  245    H    SER  30           HN       SER  30   0.705  -3.394   3.265
  246    HA   SER  30           HA       SER  30   2.083  -1.671   1.491
  247    HB2  SER  30           HB2      SER  30   2.445  -1.838   4.490
  248    HB3  SER  30           HB1      SER  30   2.736  -0.441   3.454
  249    HG   SER  30           HG       SER  30   0.398  -0.616   2.951
  250    H    LYS  31           HN       LYS  31   3.063  -4.302   3.605
  251    HA   LYS  31           HA       LYS  31   5.858  -3.924   2.938
  252    HB2  LYS  31           HB2      LYS  31   6.277  -5.774   4.489
  253    HB3  LYS  31           HB1      LYS  31   5.304  -4.511   5.222
  254    HG2  LYS  31           HG2      LYS  31   4.225  -6.366   5.970
  255    HG3  LYS  31           HG1      LYS  31   3.308  -6.038   4.504
  256    HD2  LYS  31           HD2      LYS  31   4.598  -7.715   3.303
  257    HD3  LYS  31           HD1      LYS  31   5.581  -8.012   4.738
  258    HE2  LYS  31           HE2      LYS  31   3.569  -8.745   5.942
  259    HE3  LYS  31           HE1      LYS  31   2.612  -8.480   4.486
  260    HZ1  LYS  31           HZ1      LYS  31   4.840 -10.421   4.768
  261    HZ2  LYS  31           HZ2      LYS  31   3.940 -10.163   3.361
  262    HZ3  LYS  31           HZ3      LYS  31   3.193 -10.802   4.738
  263    H    LYS  32           HN       LYS  32   3.269  -5.333   1.492
  264    HA   LYS  32           HA       LYS  32   4.357  -7.790   0.584
  265    HB2  LYS  32           HB2      LYS  32   1.923  -7.226   0.643
  266    HB3  LYS  32           HB1      LYS  32   2.186  -6.128  -0.701
  267    HG2  LYS  32           HG2      LYS  32   1.292  -8.170  -1.549
  268    HG3  LYS  32           HG1      LYS  32   2.981  -8.053  -2.048
  269    HD2  LYS  32           HD2      LYS  32   3.619  -9.534  -0.203
  270    HD3  LYS  32           HD1      LYS  32   1.926  -9.650   0.279
  271    HE2  LYS  32           HE2      LYS  32   2.966 -10.466  -2.424
  272    HE3  LYS  32           HE1      LYS  32   2.772 -11.579  -1.071
  273    HZ1  LYS  32           HZ1      LYS  32   0.602 -10.004  -2.346
  274    HZ2  LYS  32           HZ2      LYS  32   0.411 -11.063  -1.041
  275    HZ3  LYS  32           HZ3      LYS  32   0.879 -11.660  -2.552
  276    H    HIS  33           HN       HIS  33   4.117  -4.548  -0.848
  277    HA   HIS  33           HA       HIS  33   5.412  -5.363  -3.268
  278    HB2  HIS  33           HB2      HIS  33   5.376  -3.018  -3.905
  279    HB3  HIS  33           HB1      HIS  33   3.818  -3.484  -3.244
  280    HD1  HIS  33           HD1      HIS  33   2.892  -1.568  -1.960
  281    HD2  HIS  33           HD2      HIS  33   6.994  -1.897  -1.513
  282    HE1  HIS  33           HE1      HIS  33   3.591   0.297  -0.395
  283    H    LYS  34           HN       LYS  34   6.573  -4.740  -0.192
  284    HA   LYS  34           HA       LYS  34   8.924  -3.269  -0.913
  285    HB2  LYS  34           HB2      LYS  34   8.200  -4.693   1.650
  286    HB3  LYS  34           HB1      LYS  34   9.586  -3.631   1.443
  287    HG2  LYS  34           HG2      LYS  34   8.039  -1.785   0.888
  288    HG3  LYS  34           HG1      LYS  34   6.684  -2.862   1.230
  289    HD2  LYS  34           HD2      LYS  34   7.581  -3.158   3.533
  290    HD3  LYS  34           HD1      LYS  34   8.817  -1.955   3.160
  291    HE2  LYS  34           HE2      LYS  34   7.083  -0.292   2.730
  292    HE3  LYS  34           HE1      LYS  34   5.836  -1.491   3.072
  293    HZ1  LYS  34           HZ1      LYS  34   6.171  -0.135   4.994
  294    HZ2  LYS  34           HZ2      LYS  34   7.836  -0.413   4.986
  295    HZ3  LYS  34           HZ3      LYS  34   6.770  -1.677   5.335
  296    H    THR  35           HN       THR  35   8.052  -6.594  -0.684
  297    HA   THR  35           HA       THR  35  10.774  -7.533  -0.459
  298    HB   THR  35           HB       THR  35   8.857  -8.740   0.579
  299    HG1  THR  35           HG1      THR  35  10.939  -9.737  -0.744
  300   HG21  THR  35          HG21      THR  35   7.467 -10.189  -0.845
  301   HG22  THR  35          HG22      THR  35   8.188  -9.452  -2.277
  302   HG23  THR  35          HG23      THR  35   7.203  -8.479  -1.184
  303    H    ARG  36           HN       ARG  36   9.079  -6.250  -2.961
  304    HA   ARG  36           HA       ARG  36  10.608  -7.831  -4.905
  305    HB2  ARG  36           HB2      ARG  36   8.673  -7.637  -6.476
  306    HB3  ARG  36           HB1      ARG  36   8.383  -8.665  -5.081
  307    HG2  ARG  36           HG2      ARG  36   7.183  -6.805  -3.999
  308    HG3  ARG  36           HG1      ARG  36   7.409  -5.844  -5.464
  309    HD2  ARG  36           HD2      ARG  36   6.198  -7.550  -6.748
  310    HD3  ARG  36           HD1      ARG  36   5.946  -8.471  -5.269
  311    HE   ARG  36           HE       ARG  36   4.958  -5.754  -5.204
  312   HH11  ARG  36          HH11      ARG  36   4.229  -9.096  -5.939
  313   HH12  ARG  36          HH12      ARG  36   2.515  -8.892  -5.754
  314   HH21  ARG  36          HH21      ARG  36   2.704  -5.482  -4.966
  315   HH22  ARG  36          HH22      ARG  36   1.650  -6.845  -5.191
  316    H    ASP  37           HN       ASP  37  10.077  -4.853  -3.624
  317    HA   ASP  37           HA       ASP  37  11.045  -3.550  -6.078
  318    HB2  ASP  37           HB2      ASP  37   8.665  -2.965  -5.582
  319    HB3  ASP  37           HB1      ASP  37   9.195  -2.279  -4.050
  320    H    ASN  38           HN       ASN  38  11.661  -4.360  -2.929
  321    HA   ASN  38           HA       ASN  38  13.237  -3.835  -1.403
  322    HB2  ASN  38           HB2      ASN  38  14.396  -2.098  -3.592
  323    HB3  ASN  38           HB1      ASN  38  15.197  -2.503  -2.081
  324   HD21  ASN  38          HD21      ASN  38  14.241  -3.623  -5.203
  325   HD22  ASN  38          HD22      ASN  38  15.118  -5.111  -5.168
  326    H    CYS  39           HN       CYS  39  10.833  -2.049  -2.128
  327    HA   CYS  39           HA       CYS  39  11.411   0.560  -1.209
  328    HB2  CYS  39           HB2      CYS  39   9.410  -0.030  -2.552
  329    HB3  CYS  39           HB1      CYS  39   8.787  -0.960  -1.195
  330    H    SER  40           HN       SER  40  11.074   1.490   0.845
  331    HA   SER  40           HA       SER  40  10.836  -0.450   3.044
  332    HB2  SER  40           HB2      SER  40  11.967   2.350   3.211
  333    HB3  SER  40           HB1      SER  40  12.063   1.083   4.432
  334    HG   SER  40           HG       SER  40  13.295  -0.137   2.860
  335    H    GLY  41           HN       GLY  41   9.255   2.007   1.401
  336    HA2  GLY  41           HA2      GLY  41   7.166   2.913   1.680
  337    HA3  GLY  41           HA1      GLY  41   6.961   1.875   3.078
  338    H    GLN  42           HN       GLN  42   9.366   4.389   2.470
  339    HA   GLN  42           HA       GLN  42   8.164   6.233   4.302
  340    HB2  GLN  42           HB2      GLN  42  10.060   6.226   5.904
  341    HB3  GLN  42           HB1      GLN  42   9.145   4.725   5.930
  342    HG2  GLN  42           HG2      GLN  42  10.886   3.744   4.424
  343    HG3  GLN  42           HG1      GLN  42  11.832   5.211   4.672
  344   HE21  GLN  42          HE21      GLN  42  12.697   5.629   6.712
  345   HE22  GLN  42          HE22      GLN  42  12.884   4.382   7.896
  346    H    THR  43           HN       THR  43   8.886   8.275   3.896
  347    HA   THR  43           HA       THR  43  11.114   8.492   1.981
  348    HB   THR  43           HB       THR  43   9.928  10.659   1.288
  349    HG1  THR  43           HG1      THR  43   8.174  11.088   2.386
  350   HG21  THR  43          HG21      THR  43   8.614   8.002   0.711
  351   HG22  THR  43          HG22      THR  43   9.987   8.696  -0.149
  352   HG23  THR  43          HG23      THR  43   8.407   9.472  -0.241
  353    H    HIS  44           HN       HIS  44  10.661   8.837   5.076
  354    HA   HIS  44           HA       HIS  44  11.388  10.139   6.784
  355    HB2  HIS  44           HB2      HIS  44  13.499  10.313   5.443
  356    HB3  HIS  44           HB1      HIS  44  12.860  11.771   4.700
  357    HD1  HIS  44           HD1      HIS  44  14.710  10.574   7.611
  358    HD2  HIS  44           HD2      HIS  44  12.531  13.965   6.592
  359    HE1  HIS  44           HE1      HIS  44  15.362  12.329   9.291
  360    HE2  HIS  44           HE2      HIS  44  14.073  14.389   8.623
  361    H    ASP  45           HN       ASP  45  10.908  12.344   4.032
  362    HA   ASP  45           HA       ASP  45   8.564  13.439   5.401
  363    HB2  ASP  45           HB2      ASP  45  10.331  15.066   5.814
  364    HB3  ASP  45           HB1      ASP  45  10.747  15.089   4.102
  Start of MODEL   19
    1    H1   GLY  -2           HT1      GLY  -2 -14.161  12.247  -7.010
    2    H2   GLY  -2           HT2      GLY  -2 -15.426  11.128  -7.100
    3    H3   GLY  -2           HT3      GLY  -2 -13.955  10.687  -6.394
    4    HA2  GLY  -2           HA1      GLY  -2 -15.831  12.727  -5.344
    5    HA3  GLY  -2           HA2      GLY  -2 -15.634  11.100  -4.709
    6    HA   PRO  -1           HA       PRO  -1 -12.627  13.638  -2.344
    7    HB2  PRO  -1           HB2      PRO  -1 -13.625  12.410   0.053
    8    HB3  PRO  -1           HB1      PRO  -1 -13.780  14.092  -0.453
    9    HG2  PRO  -1           HG2      PRO  -1 -15.886  12.330  -0.257
   10    HG3  PRO  -1           HG1      PRO  -1 -15.879  13.774  -1.285
   11    HD2  PRO  -1           HD2      PRO  -1 -15.381  10.915  -2.026
   12    HD3  PRO  -1           HD1      PRO  -1 -16.279  12.170  -2.907
   13    H    HIS   0           HN       HIS   0 -12.509  10.874  -3.574
   14    HA   HIS   0           HA       HIS   0 -11.248   9.001  -3.548
   15    HB2  HIS   0           HB2      HIS   0  -9.558  10.770  -1.792
   16    HB3  HIS   0           HB1      HIS   0  -9.063   9.137  -2.229
   17    HD1  HIS   0           HD1      HIS   0  -8.208   8.758  -4.606
   18    HD2  HIS   0           HD2      HIS   0  -9.556  12.629  -3.924
   19    HE1  HIS   0           HE1      HIS   0  -7.465  10.093  -6.600
   20    HE2  HIS   0           HE2      HIS   0  -8.438  12.387  -6.241
   21    H    MET   1           HN       MET   1 -13.439   9.112  -1.777
   22    HA   MET   1           HA       MET   1 -12.592   7.786   0.660
   23    HB2  MET   1           HB2      MET   1 -15.336   8.437  -0.427
   24    HB3  MET   1           HB1      MET   1 -15.050   7.638   1.112
   25    HG2  MET   1           HG2      MET   1 -13.806   9.611   1.883
   26    HG3  MET   1           HG1      MET   1 -14.163  10.408   0.351
   27    HE1  MET   1           HE1      MET   1 -16.425  12.269   3.000
   28    HE2  MET   1           HE2      MET   1 -15.143  12.458   1.804
   29    HE3  MET   1           HE3      MET   1 -14.833  11.571   3.294
   30    H    ALA   2           HN       ALA   2 -12.085   5.730   0.620
   31    HA   ALA   2           HA       ALA   2 -12.159   3.503   0.281
   32    HB1  ALA   2           HB1      ALA   2 -14.589   3.572   0.490
   33    HB2  ALA   2           HB2      ALA   2 -14.088   2.412  -0.743
   34    HB3  ALA   2           HB3      ALA   2 -14.731   3.985  -1.219
   35    H    VAL   3           HN       VAL   3 -12.320   1.905  -1.632
   36    HA   VAL   3           HA       VAL   3 -11.518   2.513  -4.189
   37    HB   VAL   3           HB       VAL   3  -9.745   3.793  -2.672
   38   HG11  VAL   3          HG11      VAL   3  -8.442   1.102  -2.860
   39   HG12  VAL   3          HG12      VAL   3  -9.280   1.672  -1.417
   40   HG13  VAL   3          HG13      VAL   3  -7.870   2.549  -2.027
   41   HG21  VAL   3          HG21      VAL   3  -8.007   3.468  -4.343
   42   HG22  VAL   3          HG22      VAL   3  -9.588   3.758  -5.076
   43   HG23  VAL   3          HG23      VAL   3  -8.918   2.126  -5.030
   44    H    LEU   4           HN       LEU   4  -9.829   0.557  -4.854
   45    HA   LEU   4           HA       LEU   4 -10.024  -1.478  -2.768
   46    HB2  LEU   4           HB2      LEU   4 -10.051  -1.883  -5.759
   47    HB3  LEU   4           HB1      LEU   4  -9.721  -3.186  -4.634
   48    HG   LEU   4           HG       LEU   4 -12.283  -1.596  -4.812
   49   HD11  LEU   4          HD11      LEU   4 -12.012  -3.177  -6.635
   50   HD12  LEU   4          HD12      LEU   4 -13.261  -3.725  -5.516
   51   HD13  LEU   4          HD13      LEU   4 -11.660  -4.465  -5.485
   52   HD21  LEU   4          HD21      LEU   4 -11.868  -2.171  -2.506
   53   HD22  LEU   4          HD22      LEU   4 -11.477  -3.835  -2.952
   54   HD23  LEU   4          HD23      LEU   4 -13.124  -3.234  -3.148
   55    H    CYS   5           HN       CYS   5  -8.287  -2.381  -2.083
   56    HA   CYS   5           HA       CYS   5  -5.879  -1.193  -1.955
   57    HB2  CYS   5           HB2      CYS   5  -6.677  -3.070  -0.582
   58    HB3  CYS   5           HB1      CYS   5  -6.407  -4.164  -1.926
   59    H    GLY   6           HN       GLY   6  -4.215  -0.814  -3.256
   60    HA2  GLY   6           HA2      GLY   6  -4.207  -1.598  -5.962
   61    HA3  GLY   6           HA1      GLY   6  -2.882  -0.819  -5.121
   62    H    VAL   7           HN       VAL   7  -3.012  -3.243  -3.197
   63    HA   VAL   7           HA       VAL   7  -1.107  -4.788  -4.763
   64    HB   VAL   7           HB       VAL   7  -1.760  -4.905  -1.818
   65   HG11  VAL   7          HG11      VAL   7   0.393  -6.348  -3.368
   66   HG12  VAL   7          HG12      VAL   7  -1.030  -7.087  -2.632
   67   HG13  VAL   7          HG13      VAL   7   0.207  -6.349  -1.613
   68   HG21  VAL   7          HG21      VAL   7   0.630  -3.805  -3.297
   69   HG22  VAL   7          HG22      VAL   7   0.457  -3.892  -1.544
   70   HG23  VAL   7          HG23      VAL   7  -0.618  -2.860  -2.487
   71    H    CYS   8           HN       CYS   8  -3.785  -5.647  -2.529
   72    HA   CYS   8           HA       CYS   8  -3.843  -8.272  -3.798
   73    HB2  CYS   8           HB2      CYS   8  -5.141  -9.017  -1.894
   74    HB3  CYS   8           HB1      CYS   8  -3.719  -8.150  -1.331
   75    H    GLY   9           HN       GLY   9  -5.658  -5.382  -3.575
   76    HA2  GLY   9           HA2      GLY   9  -7.452  -4.601  -4.734
   77    HA3  GLY   9           HA1      GLY   9  -7.155  -5.911  -5.856
   78    H    ILE  10           HN       ILE  10  -8.133  -6.313  -2.442
   79    HA   ILE  10           HA       ILE  10 -10.651  -7.368  -3.534
   80    HB   ILE  10           HB       ILE  10 -10.618  -9.033  -1.608
   81   HG12  ILE  10          HG12      ILE  10  -8.235  -9.713  -0.998
   82   HG13  ILE  10          HG11      ILE  10  -7.739  -8.132  -1.584
   83   HG21  ILE  10          HG21      ILE  10  -8.610  -9.294  -3.839
   84   HG22  ILE  10          HG22      ILE  10 -10.333  -9.659  -3.934
   85   HG23  ILE  10          HG23      ILE  10  -9.282 -10.626  -2.899
   86   HD11  ILE  10          HD11      ILE  10  -7.970  -8.095   0.807
   87   HD12  ILE  10          HD12      ILE  10  -9.627  -8.686   0.686
   88   HD13  ILE  10          HD13      ILE  10  -9.216  -7.085   0.069
   89    H    LYS  11           HN       LYS  11  -9.376  -5.109  -1.380
   90    HA   LYS  11           HA       LYS  11 -12.029  -4.569  -0.397
   91    HB2  LYS  11           HB2      LYS  11 -11.548  -4.650   1.949
   92    HB3  LYS  11           HB1      LYS  11 -11.154  -6.212   1.250
   93    HG2  LYS  11           HG2      LYS  11  -8.777  -5.588   1.243
   94    HG3  LYS  11           HG1      LYS  11  -9.196  -4.045   1.984
   95    HD2  LYS  11           HD2      LYS  11  -9.754  -6.755   3.192
   96    HD3  LYS  11           HD1      LYS  11  -8.396  -5.715   3.625
   97    HE2  LYS  11           HE2      LYS  11  -9.921  -3.999   4.401
   98    HE3  LYS  11           HE1      LYS  11 -11.304  -4.959   3.889
   99    HZ1  LYS  11           HZ1      LYS  11 -10.674  -6.649   5.502
  100    HZ2  LYS  11           HZ2      LYS  11 -10.938  -5.160   6.252
  101    HZ3  LYS  11           HZ3      LYS  11  -9.361  -5.708   6.001
  102    H    GLU  12           HN       GLU  12 -11.891  -2.653   1.247
  103    HA   GLU  12           HA       GLU  12 -10.950  -0.439  -0.178
  104    HB2  GLU  12           HB2      GLU  12 -11.892  -0.781   2.651
  105    HB3  GLU  12           HB1      GLU  12 -11.384   0.779   2.029
  106    HG2  GLU  12           HG2      GLU  12 -13.101   0.691   0.333
  107    HG3  GLU  12           HG1      GLU  12 -13.595  -0.908   0.893
  108    H    PHE  13           HN       PHE  13  -9.420   1.118   0.346
  109    HA   PHE  13           HA       PHE  13  -6.949   0.074   1.413
  110    HB2  PHE  13           HB2      PHE  13  -5.896   1.905   0.439
  111    HB3  PHE  13           HB1      PHE  13  -7.261   1.646  -0.619
  112    HD1  PHE  13           HD1      PHE  13  -9.178   3.210  -0.604
  113    HD2  PHE  13           HD2      PHE  13  -5.697   3.879   1.770
  114    HE1  PHE  13           HE1      PHE  13  -9.836   5.559  -0.294
  115    HE2  PHE  13           HE2      PHE  13  -6.346   6.233   2.063
  116    HZ   PHE  13           HZ       PHE  13  -8.419   7.074   1.038
  117    H    LYS  14           HN       LYS  14  -5.748   1.060   3.073
  118    HA   LYS  14           HA       LYS  14  -7.167   2.897   4.856
  119    HB2  LYS  14           HB2      LYS  14  -7.521   0.604   5.695
  120    HB3  LYS  14           HB1      LYS  14  -5.785   0.353   5.727
  121    HG2  LYS  14           HG2      LYS  14  -5.531   1.992   7.472
  122    HG3  LYS  14           HG1      LYS  14  -7.245   2.407   7.376
  123    HD2  LYS  14           HD2      LYS  14  -7.843   0.151   8.075
  124    HD3  LYS  14           HD1      LYS  14  -6.139  -0.299   8.129
  125    HE2  LYS  14           HE2      LYS  14  -7.346   1.899   9.796
  126    HE3  LYS  14           HE1      LYS  14  -7.172   0.237  10.350
  127    HZ1  LYS  14           HZ1      LYS  14  -4.953   2.030   9.524
  128    HZ2  LYS  14           HZ2      LYS  14  -4.781   0.427  10.038
  129    HZ3  LYS  14           HZ3      LYS  14  -5.344   1.603  11.111
  130    H    TYR  15           HN       TYR  15  -4.432   1.928   3.196
  131    HA   TYR  15           HA       TYR  15  -2.775   3.906   4.596
  132    HB2  TYR  15           HB2      TYR  15  -1.875   1.197   3.586
  133    HB3  TYR  15           HB1      TYR  15  -0.794   2.460   4.160
  134    HD1  TYR  15           HD2      TYR  15  -3.623   0.315   5.220
  135    HD2  TYR  15           HD1      TYR  15  -0.237   2.586   6.406
  136    HE1  TYR  15           HE2      TYR  15  -3.847  -0.562   7.516
  137    HE2  TYR  15           HE1      TYR  15  -0.447   1.722   8.704
  138    HH   TYR  15           HH       TYR  15  -2.165   0.779  10.159
  139    H    LYS  16           HN       LYS  16  -0.827   4.438   3.210
  140    HA   LYS  16           HA       LYS  16  -1.146   4.107   0.360
  141    HB2  LYS  16           HB2      LYS  16  -2.632   6.033   0.912
  142    HB3  LYS  16           HB1      LYS  16  -1.246   6.869   1.596
  143    HG2  LYS  16           HG2      LYS  16  -0.178   6.954  -0.576
  144    HG3  LYS  16           HG1      LYS  16  -1.495   6.015  -1.283
  145    HD2  LYS  16           HD2      LYS  16  -1.717   8.426  -1.736
  146    HD3  LYS  16           HD1      LYS  16  -3.067   7.798  -0.788
  147    HE2  LYS  16           HE2      LYS  16  -2.130   8.695   1.234
  148    HE3  LYS  16           HE1      LYS  16  -0.669   9.195   0.386
  149    HZ1  LYS  16           HZ1      LYS  16  -2.016  10.729  -0.923
  150    HZ2  LYS  16           HZ2      LYS  16  -2.143  11.059   0.730
  151    HZ3  LYS  16           HZ3      LYS  16  -3.400  10.264  -0.070
  152    H    CYS  17           HN       CYS  17   0.867   3.298   0.122
  153    HA   CYS  17           HA       CYS  17   3.129   3.810   1.584
  154    HB2  CYS  17           HB2      CYS  17   3.073   2.013  -0.055
  155    HB3  CYS  17           HB1      CYS  17   2.981   3.178  -1.374
  156    HA   PRO  18           HA       PRO  18   4.074   8.067   0.655
  157    HB2  PRO  18           HB2      PRO  18   6.603   8.028   1.717
  158    HB3  PRO  18           HB1      PRO  18   5.134   8.220   2.675
  159    HG2  PRO  18           HG2      PRO  18   6.782   5.778   2.192
  160    HG3  PRO  18           HG1      PRO  18   6.011   6.332   3.690
  161    HD2  PRO  18           HD2      PRO  18   4.954   4.372   2.176
  162    HD3  PRO  18           HD1      PRO  18   3.940   5.523   3.071
  163    H    ARG  19           HN       ARG  19   5.747   5.284  -0.455
  164    HA   ARG  19           HA       ARG  19   7.395   6.869  -2.289
  165    HB2  ARG  19           HB2      ARG  19   7.515   3.979  -1.447
  166    HB3  ARG  19           HB1      ARG  19   8.485   4.631  -2.760
  167    HG2  ARG  19           HG2      ARG  19   9.492   6.237  -1.169
  168    HG3  ARG  19           HG1      ARG  19   8.550   5.499   0.131
  169    HD2  ARG  19           HD2      ARG  19  10.850   4.660   0.076
  170    HD3  ARG  19           HD1      ARG  19   9.675   3.383  -0.221
  171    HE   ARG  19           HE       ARG  19  10.364   4.174  -2.716
  172   HH11  ARG  19          HH11      ARG  19  12.210   3.162   0.090
  173   HH12  ARG  19          HH12      ARG  19  13.520   2.522  -0.852
  174   HH21  ARG  19          HH21      ARG  19  12.072   3.318  -3.947
  175   HH22  ARG  19          HH22      ARG  19  13.439   2.609  -3.150
  176    H    CYS  20           HN       CYS  20   5.087   4.166  -2.291
  177    HA   CYS  20           HA       CYS  20   5.057   4.159  -5.198
  178    HB2  CYS  20           HB2      CYS  20   3.503   2.437  -3.262
  179    HB3  CYS  20           HB1      CYS  20   3.598   2.207  -4.997
  180    H    LEU  21           HN       LEU  21   3.326   5.507  -2.640
  181    HA   LEU  21           HA       LEU  21   1.343   6.526  -2.347
  182    HB2  LEU  21           HB2      LEU  21   1.234   6.773  -5.348
  183    HB3  LEU  21           HB1      LEU  21   0.357   7.740  -4.181
  184    HG   LEU  21           HG       LEU  21   3.250   7.862  -4.936
  185   HD11  LEU  21          HD11      LEU  21   1.111   9.939  -4.542
  186   HD12  LEU  21          HD12      LEU  21   1.668   9.297  -6.088
  187   HD13  LEU  21          HD13      LEU  21   2.762  10.245  -5.080
  188   HD21  LEU  21          HD21      LEU  21   3.638   9.349  -3.003
  189   HD22  LEU  21          HD22      LEU  21   3.333   7.675  -2.539
  190   HD23  LEU  21          HD23      LEU  21   2.060   8.886  -2.361
  191    H    VAL  22           HN       VAL  22   1.553   3.599  -3.025
  192    HA   VAL  22           HA       VAL  22  -0.923   2.983  -4.321
  193    HB   VAL  22           HB       VAL  22   1.031   1.509  -4.627
  194   HG11  VAL  22          HG11      VAL  22   1.962   1.673  -2.354
  195   HG12  VAL  22          HG12      VAL  22   1.784   0.005  -2.893
  196   HG13  VAL  22          HG13      VAL  22   0.625   0.695  -1.757
  197   HG21  VAL  22          HG21      VAL  22  -1.331   0.184  -3.308
  198   HG22  VAL  22          HG22      VAL  22  -0.142  -0.626  -4.328
  199   HG23  VAL  22          HG23      VAL  22  -1.187   0.621  -5.011
  200    H    GLN  23           HN       GLN  23  -2.770   2.861  -3.427
  201    HA   GLN  23           HA       GLN  23  -3.183   3.189  -0.609
  202    HB2  GLN  23           HB2      GLN  23  -5.148   2.521  -2.825
  203    HB3  GLN  23           HB1      GLN  23  -5.569   3.075  -1.210
  204    HG2  GLN  23           HG2      GLN  23  -4.614   5.217  -1.609
  205    HG3  GLN  23           HG1      GLN  23  -3.904   4.678  -3.130
  206   HE21  GLN  23          HE21      GLN  23  -6.815   5.690  -1.527
  207   HE22  GLN  23          HE22      GLN  23  -7.778   5.872  -2.953
  208    H    THR  24           HN       THR  24  -2.628   1.547   0.644
  209    HA   THR  24           HA       THR  24  -3.231  -1.192  -0.205
  210    HB   THR  24           HB       THR  24  -1.738  -1.674   1.897
  211    HG1  THR  24           HG1      THR  24  -0.698   0.865   1.168
  212   HG21  THR  24          HG21      THR  24   0.265  -1.569   0.478
  213   HG22  THR  24          HG22      THR  24  -0.620  -0.576  -0.681
  214   HG23  THR  24          HG23      THR  24  -1.122  -2.240  -0.379
  215    H    CYS  25           HN       CYS  25  -4.250  -2.636   1.197
  216    HA   CYS  25           HA       CYS  25  -6.401  -1.429   2.643
  217    HB2  CYS  25           HB2      CYS  25  -7.273  -3.685   2.864
  218    HB3  CYS  25           HB1      CYS  25  -6.692  -3.444   1.227
  219    H    SER  26           HN       SER  26  -3.406  -3.015   3.464
  220    HA   SER  26           HA       SER  26  -3.610  -2.161   6.189
  221    HB2  SER  26           HB2      SER  26  -3.675  -5.137   5.604
  222    HB3  SER  26           HB1      SER  26  -3.379  -4.433   7.191
  223    HG   SER  26           HG       SER  26  -5.609  -3.371   6.128
  224    H    LEU  27           HN       LEU  27  -1.607  -3.016   7.447
  225    HA   LEU  27           HA       LEU  27   0.682  -2.208   6.078
  226    HB2  LEU  27           HB2      LEU  27   0.349  -3.829   8.592
  227    HB3  LEU  27           HB1      LEU  27   1.917  -3.324   7.997
  228    HG   LEU  27           HG       LEU  27  -0.308  -1.418   8.719
  229   HD11  LEU  27          HD11      LEU  27   0.467  -2.621  10.690
  230   HD12  LEU  27          HD12      LEU  27   1.008  -0.942  10.724
  231   HD13  LEU  27          HD13      LEU  27   2.139  -2.225  10.288
  232   HD21  LEU  27          HD21      LEU  27   1.244  -0.515   7.082
  233   HD22  LEU  27          HD22      LEU  27   2.612  -0.984   8.091
  234   HD23  LEU  27          HD23      LEU  27   1.489   0.258   8.647
  235    H    GLU  28           HN       GLU  28  -0.731  -5.370   6.447
  236    HA   GLU  28           HA       GLU  28   1.269  -7.075   5.647
  237    HB2  GLU  28           HB2      GLU  28  -1.057  -7.703   6.316
  238    HB3  GLU  28           HB1      GLU  28  -1.607  -7.196   4.726
  239    HG2  GLU  28           HG2      GLU  28  -1.397  -9.561   4.723
  240    HG3  GLU  28           HG1      GLU  28  -0.095  -8.899   3.734
  241    H    CYS  29           HN       CYS  29  -0.831  -5.093   3.617
  242    HA   CYS  29           HA       CYS  29   0.461  -6.014   1.201
  243    HB2  CYS  29           HB2      CYS  29  -1.852  -4.236   1.832
  244    HB3  CYS  29           HB1      CYS  29  -1.130  -4.184   0.235
  245    H    SER  30           HN       SER  30   0.626  -3.334   3.394
  246    HA   SER  30           HA       SER  30   1.877  -1.465   1.692
  247    HB2  SER  30           HB2      SER  30   2.262  -1.739   4.681
  248    HB3  SER  30           HB1      SER  30   2.464  -0.281   3.709
  249    HG   SER  30           HG       SER  30   0.187  -0.437   3.231
  250    H    LYS  31           HN       LYS  31   3.050  -4.160   3.593
  251    HA   LYS  31           HA       LYS  31   5.814  -3.526   2.909
  252    HB2  LYS  31           HB2      LYS  31   6.423  -5.267   4.484
  253    HB3  LYS  31           HB1      LYS  31   5.281  -4.159   5.228
  254    HG2  LYS  31           HG2      LYS  31   3.472  -5.773   4.795
  255    HG3  LYS  31           HG1      LYS  31   4.666  -6.895   4.137
  256    HD2  LYS  31           HD2      LYS  31   5.823  -6.929   6.290
  257    HD3  LYS  31           HD1      LYS  31   4.637  -5.800   6.946
  258    HE2  LYS  31           HE2      LYS  31   2.866  -7.438   6.566
  259    HE3  LYS  31           HE1      LYS  31   4.047  -8.567   5.908
  260    HZ1  LYS  31           HZ1      LYS  31   5.134  -8.652   8.036
  261    HZ2  LYS  31           HZ2      LYS  31   3.496  -9.020   8.233
  262    HZ3  LYS  31           HZ3      LYS  31   4.077  -7.498   8.676
  263    H    LYS  32           HN       LYS  32   3.267  -5.279   1.665
  264    HA   LYS  32           HA       LYS  32   4.462  -7.682   0.841
  265    HB2  LYS  32           HB2      LYS  32   2.002  -7.153   0.851
  266    HB3  LYS  32           HB1      LYS  32   2.261  -6.186  -0.594
  267    HG2  LYS  32           HG2      LYS  32   1.492  -8.230  -1.396
  268    HG3  LYS  32           HG1      LYS  32   3.241  -8.315  -1.617
  269    HD2  LYS  32           HD2      LYS  32   3.400  -9.544   0.532
  270    HD3  LYS  32           HD1      LYS  32   1.638  -9.547   0.620
  271    HE2  LYS  32           HE2      LYS  32   2.332 -11.654  -0.263
  272    HE3  LYS  32           HE1      LYS  32   1.603 -10.730  -1.575
  273    HZ1  LYS  32           HZ1      LYS  32   3.636 -11.825  -2.279
  274    HZ2  LYS  32           HZ2      LYS  32   4.518 -11.022  -1.083
  275    HZ3  LYS  32           HZ3      LYS  32   3.815 -10.145  -2.348
  276    H    HIS  33           HN       HIS  33   4.141  -4.545  -0.789
  277    HA   HIS  33           HA       HIS  33   5.424  -5.498  -3.172
  278    HB2  HIS  33           HB2      HIS  33   5.239  -3.218  -3.993
  279    HB3  HIS  33           HB1      HIS  33   3.721  -3.702  -3.248
  280    HD1  HIS  33           HD1      HIS  33   2.754  -1.705  -2.077
  281    HD2  HIS  33           HD2      HIS  33   6.872  -1.902  -1.715
  282    HE1  HIS  33           HE1      HIS  33   3.446   0.255  -0.622
  283    H    LYS  34           HN       LYS  34   6.586  -4.584  -0.164
  284    HA   LYS  34           HA       LYS  34   8.863  -3.065  -1.019
  285    HB2  LYS  34           HB2      LYS  34   8.235  -4.366   1.636
  286    HB3  LYS  34           HB1      LYS  34   9.598  -3.296   1.345
  287    HG2  LYS  34           HG2      LYS  34   8.044  -1.484   0.782
  288    HG3  LYS  34           HG1      LYS  34   6.687  -2.562   1.116
  289    HD2  LYS  34           HD2      LYS  34   7.509  -2.820   3.436
  290    HD3  LYS  34           HD1      LYS  34   8.798  -1.672   3.078
  291    HE2  LYS  34           HE2      LYS  34   7.223   0.089   2.701
  292    HE3  LYS  34           HE1      LYS  34   5.866  -1.031   2.799
  293    HZ1  LYS  34           HZ1      LYS  34   6.139   0.236   4.842
  294    HZ2  LYS  34           HZ2      LYS  34   7.707  -0.361   5.036
  295    HZ3  LYS  34           HZ3      LYS  34   6.386  -1.411   5.125
  296    H    THR  35           HN       THR  35   8.180  -6.400  -0.256
  297    HA   THR  35           HA       THR  35  10.936  -7.185  -0.166
  298    HB   THR  35           HB       THR  35   9.092  -8.313   1.109
  299    HG1  THR  35           HG1      THR  35  11.203  -9.384  -0.120
  300   HG21  THR  35          HG21      THR  35   8.416  -9.472  -1.595
  301   HG22  THR  35          HG22      THR  35   7.402  -8.386  -0.643
  302   HG23  THR  35          HG23      THR  35   7.753 -10.011  -0.052
  303    H    ARG  36           HN       ARG  36   8.812  -6.506  -2.691
  304    HA   ARG  36           HA       ARG  36  10.265  -8.304  -4.516
  305    HB2  ARG  36           HB2      ARG  36   8.253  -8.025  -6.026
  306    HB3  ARG  36           HB1      ARG  36   7.991  -8.946  -4.550
  307    HG2  ARG  36           HG2      ARG  36   6.898  -7.088  -3.511
  308    HG3  ARG  36           HG1      ARG  36   7.301  -6.035  -4.868
  309    HD2  ARG  36           HD2      ARG  36   5.578  -8.496  -5.083
  310    HD3  ARG  36           HD1      ARG  36   4.950  -6.861  -4.877
  311    HE   ARG  36           HE       ARG  36   6.705  -6.959  -7.091
  312   HH11  ARG  36          HH11      ARG  36   3.494  -7.959  -6.116
  313   HH12  ARG  36          HH12      ARG  36   2.852  -7.908  -7.726
  314   HH21  ARG  36          HH21      ARG  36   5.870  -6.876  -9.202
  315   HH22  ARG  36          HH22      ARG  36   4.204  -7.281  -9.489
  316    H    ASP  37           HN       ASP  37   9.507  -5.013  -3.816
  317    HA   ASP  37           HA       ASP  37  10.769  -4.223  -6.355
  318    HB2  ASP  37           HB2      ASP  37   8.409  -3.060  -4.933
  319    HB3  ASP  37           HB1      ASP  37   9.435  -2.009  -5.901
  320    H    ASN  38           HN       ASN  38  11.467  -4.551  -3.289
  321    HA   ASN  38           HA       ASN  38  12.996  -3.692  -1.854
  322    HB2  ASN  38           HB2      ASN  38  13.931  -2.407  -4.417
  323    HB3  ASN  38           HB1      ASN  38  14.805  -2.263  -2.898
  324   HD21  ASN  38          HD21      ASN  38  16.608  -3.332  -3.673
  325   HD22  ASN  38          HD22      ASN  38  16.615  -5.032  -3.995
  326    H    CYS  39           HN       CYS  39  10.571  -2.446  -1.729
  327    HA   CYS  39           HA       CYS  39  11.121   0.426  -1.703
  328    HB2  CYS  39           HB2      CYS  39   9.073  -0.396  -2.876
  329    HB3  CYS  39           HB1      CYS  39   8.477  -0.987  -1.330
  330    H    SER  40           HN       SER  40  10.106   1.641   0.092
  331    HA   SER  40           HA       SER  40   9.878   0.254   2.618
  332    HB2  SER  40           HB2      SER  40  11.409   1.947   3.679
  333    HB3  SER  40           HB1      SER  40  12.225   0.819   2.600
  334    HG   SER  40           HG       SER  40  12.981   2.774   2.009
  335    H    GLY  41           HN       GLY  41   9.264   2.060   4.336
  336    HA2  GLY  41           HA2      GLY  41   7.559   4.050   2.970
  337    HA3  GLY  41           HA1      GLY  41   7.050   3.209   4.423
  338    H    GLN  42           HN       GLN  42   9.970   4.923   3.377
  339    HA   GLN  42           HA       GLN  42   9.853   6.503   5.841
  340    HB2  GLN  42           HB2      GLN  42  12.276   5.026   4.794
  341    HB3  GLN  42           HB1      GLN  42  12.295   6.163   6.132
  342    HG2  GLN  42           HG2      GLN  42  10.774   4.704   7.383
  343    HG3  GLN  42           HG1      GLN  42  10.791   3.557   6.043
  344   HE21  GLN  42          HE21      GLN  42  12.587   4.923   8.678
  345   HE22  GLN  42          HE22      GLN  42  13.861   3.750   8.672
  346    H    THR  43           HN       THR  43   8.978   7.823   3.858
  347    HA   THR  43           HA       THR  43  11.092   9.097   2.343
  348    HB   THR  43           HB       THR  43   9.211  10.613   1.579
  349    HG1  THR  43           HG1      THR  43   7.114   9.975   2.133
  350   HG21  THR  43          HG21      THR  43   8.839   7.640   1.185
  351   HG22  THR  43          HG22      THR  43   9.933   8.674   0.267
  352   HG23  THR  43          HG23      THR  43   8.190   8.909   0.144
  353    H    HIS  44           HN       HIS  44   8.922   9.800   5.010
  354    HA   HIS  44           HA       HIS  44  10.563  12.144   5.687
  355    HB2  HIS  44           HB2      HIS  44   8.105  12.549   5.273
  356    HB3  HIS  44           HB1      HIS  44   7.766  11.527   6.665
  357    HD1  HIS  44           HD1      HIS  44   8.011  12.566   8.969
  358    HD2  HIS  44           HD2      HIS  44   9.329  15.046   5.905
  359    HE1  HIS  44           HE1      HIS  44   8.407  14.807  10.037
  360    HE2  HIS  44           HE2      HIS  44   9.295  16.266   8.184
  361    H    ASP  45           HN       ASP  45  12.020  10.354   6.437
  362    HA   ASP  45           HA       ASP  45  11.218   9.337   9.078
  363    HB2  ASP  45           HB2      ASP  45  11.737   7.587   7.407
  364    HB3  ASP  45           HB1      ASP  45  13.351   8.266   7.216
  Start of MODEL   20
    1    H1   GLY  -2           HT1      GLY  -2 -12.926   6.690   9.025
    2    H2   GLY  -2           HT2      GLY  -2 -13.965   7.960   8.623
    3    H3   GLY  -2           HT3      GLY  -2 -12.397   8.291   9.154
    4    HA2  GLY  -2           HA1      GLY  -2 -11.482   7.227   7.183
    5    HA3  GLY  -2           HA2      GLY  -2 -13.121   6.915   6.633
    6    HA   PRO  -1           HA       PRO  -1 -11.688  11.419   5.769
    7    HB2  PRO  -1           HB2      PRO  -1  -9.878  11.298   3.782
    8    HB3  PRO  -1           HB1      PRO  -1  -9.407  11.185   5.483
    9    HG2  PRO  -1           HG2      PRO  -1  -9.731   9.017   3.453
   10    HG3  PRO  -1           HG1      PRO  -1  -8.488   9.206   4.702
   11    HD2  PRO  -1           HD2      PRO  -1 -10.674   7.551   4.927
   12    HD3  PRO  -1           HD1      PRO  -1  -9.789   8.231   6.306
   13    H    HIS   0           HN       HIS   0 -13.732   9.612   4.763
   14    HA   HIS   0           HA       HIS   0 -15.182   9.250   3.053
   15    HB2  HIS   0           HB2      HIS   0 -15.519  11.690   3.504
   16    HB3  HIS   0           HB1      HIS   0 -14.378  12.046   2.215
   17    HD1  HIS   0           HD1      HIS   0 -15.371  12.361  -0.028
   18    HD2  HIS   0           HD2      HIS   0 -17.868  10.184   2.480
   19    HE1  HIS   0           HE1      HIS   0 -17.494  12.015  -1.325
   20    HE2  HIS   0           HE2      HIS   0 -18.936  10.578   0.157
   21    H    MET   1           HN       MET   1 -13.061   7.898   2.523
   22    HA   MET   1           HA       MET   1 -12.582   8.279  -0.338
   23    HB2  MET   1           HB2      MET   1 -10.460   7.959   1.779
   24    HB3  MET   1           HB1      MET   1 -10.167   7.592   0.088
   25    HG2  MET   1           HG2      MET   1 -11.072  10.270   1.108
   26    HG3  MET   1           HG1      MET   1  -9.394   9.836   0.795
   27    HE1  MET   1           HE1      MET   1  -9.765   7.987  -1.856
   28    HE2  MET   1           HE2      MET   1  -8.476   9.161  -1.595
   29    HE3  MET   1           HE3      MET   1  -9.429   9.214  -3.077
   30    H    ALA   2           HN       ALA   2 -12.053   6.357  -1.448
   31    HA   ALA   2           HA       ALA   2 -12.030   3.839  -0.075
   32    HB1  ALA   2           HB1      ALA   2 -14.430   4.244  -0.057
   33    HB2  ALA   2           HB2      ALA   2 -14.040   2.948  -1.192
   34    HB3  ALA   2           HB3      ALA   2 -14.408   4.567  -1.791
   35    H    VAL   3           HN       VAL   3 -12.225   2.073  -1.834
   36    HA   VAL   3           HA       VAL   3 -11.365   2.356  -4.420
   37    HB   VAL   3           HB       VAL   3  -9.528   3.695  -3.047
   38   HG11  VAL   3          HG11      VAL   3  -7.778   2.464  -2.163
   39   HG12  VAL   3          HG12      VAL   3  -8.324   0.966  -2.916
   40   HG13  VAL   3          HG13      VAL   3  -9.233   1.656  -1.569
   41   HG21  VAL   3          HG21      VAL   3  -7.773   3.003  -4.620
   42   HG22  VAL   3          HG22      VAL   3  -9.305   3.406  -5.402
   43   HG23  VAL   3          HG23      VAL   3  -8.835   1.718  -5.193
   44    H    LEU   4           HN       LEU   4  -9.914   0.270  -4.958
   45    HA   LEU   4           HA       LEU   4 -10.085  -1.581  -2.700
   46    HB2  LEU   4           HB2      LEU   4 -10.037  -2.218  -5.653
   47    HB3  LEU   4           HB1      LEU   4  -9.805  -3.424  -4.404
   48    HG   LEU   4           HG       LEU   4 -12.302  -1.826  -4.952
   49   HD11  LEU   4          HD11      LEU   4 -11.960  -3.698  -6.444
   50   HD12  LEU   4          HD12      LEU   4 -13.271  -4.055  -5.320
   51   HD13  LEU   4          HD13      LEU   4 -11.679  -4.772  -5.075
   52   HD21  LEU   4          HD21      LEU   4 -13.296  -3.147  -3.096
   53   HD22  LEU   4          HD22      LEU   4 -12.090  -1.977  -2.565
   54   HD23  LEU   4          HD23      LEU   4 -11.673  -3.694  -2.662
   55    H    CYS   5           HN       CYS   5  -8.325  -2.442  -1.954
   56    HA   CYS   5           HA       CYS   5  -5.934  -1.214  -1.928
   57    HB2  CYS   5           HB2      CYS   5  -6.582  -2.943  -0.389
   58    HB3  CYS   5           HB1      CYS   5  -6.517  -4.156  -1.653
   59    H    GLY   6           HN       GLY   6  -4.244  -0.942  -3.197
   60    HA2  GLY   6           HA2      GLY   6  -4.306  -1.709  -5.898
   61    HA3  GLY   6           HA1      GLY   6  -2.945  -0.974  -5.078
   62    H    VAL   7           HN       VAL   7  -2.920  -3.317  -3.150
   63    HA   VAL   7           HA       VAL   7  -1.109  -4.866  -4.798
   64    HB   VAL   7           HB       VAL   7  -1.670  -5.022  -1.835
   65   HG11  VAL   7          HG11      VAL   7   0.331  -6.429  -1.711
   66   HG12  VAL   7          HG12      VAL   7   0.450  -6.411  -3.470
   67   HG13  VAL   7          HG13      VAL   7  -0.929  -7.185  -2.689
   68   HG21  VAL   7          HG21      VAL   7   0.656  -3.873  -3.379
   69   HG22  VAL   7          HG22      VAL   7   0.540  -3.978  -1.624
   70   HG23  VAL   7          HG23      VAL   7  -0.580  -2.953  -2.521
   71    H    CYS   8           HN       CYS   8  -3.717  -5.786  -2.504
   72    HA   CYS   8           HA       CYS   8  -3.777  -8.404  -3.767
   73    HB2  CYS   8           HB2      CYS   8  -5.204  -9.092  -1.912
   74    HB3  CYS   8           HB1      CYS   8  -3.752  -8.303  -1.315
   75    H    GLY   9           HN       GLY   9  -5.438  -5.471  -3.987
   76    HA2  GLY   9           HA2      GLY   9  -7.050  -4.866  -5.506
   77    HA3  GLY   9           HA1      GLY   9  -7.096  -6.531  -6.052
   78    H    ILE  10           HN       ILE  10  -7.655  -6.006  -2.656
   79    HA   ILE  10           HA       ILE  10 -10.542  -6.143  -3.135
   80    HB   ILE  10           HB       ILE  10 -10.798  -7.871  -1.392
   81   HG12  ILE  10          HG12      ILE  10  -8.550  -9.252  -1.074
   82   HG13  ILE  10          HG11      ILE  10  -7.824  -7.668  -1.327
   83   HG21  ILE  10          HG21      ILE  10 -10.024  -9.774  -2.742
   84   HG22  ILE  10          HG22      ILE  10  -9.063  -8.667  -3.719
   85   HG23  ILE  10          HG23      ILE  10 -10.822  -8.535  -3.710
   86   HD11  ILE  10          HD11      ILE  10  -9.215  -6.786   0.511
   87   HD12  ILE  10          HD12      ILE  10  -8.082  -8.042   1.019
   88   HD13  ILE  10          HD13      ILE  10  -9.793  -8.425   0.815
   89    H    LYS  11           HN       LYS  11 -11.831  -5.615  -1.311
   90    HA   LYS  11           HA       LYS  11 -12.559  -4.216   0.274
   91    HB2  LYS  11           HB2      LYS  11 -11.653  -4.398   2.407
   92    HB3  LYS  11           HB1      LYS  11 -11.218  -5.906   1.625
   93    HG2  LYS  11           HG2      LYS  11  -8.957  -4.982   1.209
   94    HG3  LYS  11           HG1      LYS  11  -9.421  -3.543   2.114
   95    HD2  LYS  11           HD2      LYS  11  -9.772  -6.217   3.386
   96    HD3  LYS  11           HD1      LYS  11  -8.150  -5.538   3.281
   97    HE2  LYS  11           HE2      LYS  11  -9.100  -4.951   5.404
   98    HE3  LYS  11           HE1      LYS  11  -8.984  -3.496   4.418
   99    HZ1  LYS  11           HZ1      LYS  11 -11.459  -5.093   4.772
  100    HZ2  LYS  11           HZ2      LYS  11 -11.320  -3.616   3.966
  101    HZ3  LYS  11           HZ3      LYS  11 -11.092  -3.690   5.636
  102    H    GLU  12           HN       GLU  12 -12.341  -2.199   1.423
  103    HA   GLU  12           HA       GLU  12 -11.174  -0.206  -0.209
  104    HB2  GLU  12           HB2      GLU  12 -12.535  -0.156   2.467
  105    HB3  GLU  12           HB1      GLU  12 -11.842   1.298   1.765
  106    HG2  GLU  12           HG2      GLU  12 -13.304   1.227  -0.074
  107    HG3  GLU  12           HG1      GLU  12 -13.832  -0.411   0.315
  108    H    PHE  13           HN       PHE  13  -9.532   1.203   0.209
  109    HA   PHE  13           HA       PHE  13  -7.241   0.010   1.384
  110    HB2  PHE  13           HB2      PHE  13  -6.029   1.823   0.487
  111    HB3  PHE  13           HB1      PHE  13  -7.354   1.588  -0.621
  112    HD1  PHE  13           HD2      PHE  13  -5.940   3.781   1.937
  113    HD2  PHE  13           HD1      PHE  13  -9.096   3.237  -0.880
  114    HE1  PHE  13           HE2      PHE  13  -6.542   6.155   2.159
  115    HE2  PHE  13           HE1      PHE  13  -9.703   5.607  -0.655
  116    HZ   PHE  13           HZ       PHE  13  -8.422   7.073   0.866
  117    H    LYS  14           HN       LYS  14  -5.914   0.904   3.033
  118    HA   LYS  14           HA       LYS  14  -7.306   2.613   4.969
  119    HB2  LYS  14           HB2      LYS  14  -7.477   0.210   5.614
  120    HB3  LYS  14           HB1      LYS  14  -5.724   0.132   5.659
  121    HG2  LYS  14           HG2      LYS  14  -5.651   1.697   7.480
  122    HG3  LYS  14           HG1      LYS  14  -7.396   1.945   7.386
  123    HD2  LYS  14           HD2      LYS  14  -5.982  -0.623   8.104
  124    HD3  LYS  14           HD1      LYS  14  -6.839   0.442   9.217
  125    HE2  LYS  14           HE2      LYS  14  -8.024  -1.161   6.953
  126    HE3  LYS  14           HE1      LYS  14  -8.241  -1.443   8.678
  127    HZ1  LYS  14           HZ1      LYS  14 -10.165  -0.347   7.867
  128    HZ2  LYS  14           HZ2      LYS  14  -9.258   0.849   7.095
  129    HZ3  LYS  14           HZ3      LYS  14  -9.307   0.787   8.783
  130    H    TYR  15           HN       TYR  15  -4.498   1.705   3.276
  131    HA   TYR  15           HA       TYR  15  -2.937   3.761   4.684
  132    HB2  TYR  15           HB2      TYR  15  -1.915   1.127   3.596
  133    HB3  TYR  15           HB1      TYR  15  -0.903   2.409   4.245
  134    HD1  TYR  15           HD2      TYR  15  -3.689   0.133   5.183
  135    HD2  TYR  15           HD1      TYR  15  -0.348   2.409   6.491
  136    HE1  TYR  15           HE2      TYR  15  -3.903  -0.858   7.428
  137    HE2  TYR  15           HE1      TYR  15  -0.549   1.425   8.738
  138    HH   TYR  15           HH       TYR  15  -2.203   0.351  10.136
  139    H    LYS  16           HN       LYS  16  -0.903   4.218   3.237
  140    HA   LYS  16           HA       LYS  16  -1.208   3.884   0.415
  141    HB2  LYS  16           HB2      LYS  16  -2.786   5.772   0.850
  142    HB3  LYS  16           HB1      LYS  16  -1.452   6.691   1.532
  143    HG2  LYS  16           HG2      LYS  16  -0.347   6.797  -0.589
  144    HG3  LYS  16           HG1      LYS  16  -1.503   5.666  -1.299
  145    HD2  LYS  16           HD2      LYS  16  -2.023   7.928  -1.987
  146    HD3  LYS  16           HD1      LYS  16  -3.298   7.311  -0.939
  147    HE2  LYS  16           HE2      LYS  16  -2.394   8.551   0.938
  148    HE3  LYS  16           HE1      LYS  16  -1.042   9.105  -0.047
  149    HZ1  LYS  16           HZ1      LYS  16  -2.718  10.811   0.118
  150    HZ2  LYS  16           HZ2      LYS  16  -3.905   9.766  -0.475
  151    HZ3  LYS  16           HZ3      LYS  16  -2.637  10.258  -1.479
  152    H    CYS  17           HN       CYS  17   0.837   3.161   0.227
  153    HA   CYS  17           HA       CYS  17   3.073   3.775   1.658
  154    HB2  CYS  17           HB2      CYS  17   3.094   2.021  -0.024
  155    HB3  CYS  17           HB1      CYS  17   2.941   3.210  -1.314
  156    HA   PRO  18           HA       PRO  18   3.711   8.122   0.971
  157    HB2  PRO  18           HB2      PRO  18   6.301   8.155   1.931
  158    HB3  PRO  18           HB1      PRO  18   4.853   8.265   2.937
  159    HG2  PRO  18           HG2      PRO  18   6.578   5.904   2.339
  160    HG3  PRO  18           HG1      PRO  18   5.800   6.371   3.862
  161    HD2  PRO  18           HD2      PRO  18   4.811   4.423   2.299
  162    HD3  PRO  18           HD1      PRO  18   3.751   5.508   3.223
  163    H    ARG  19           HN       ARG  19   5.515   5.551  -0.395
  164    HA   ARG  19           HA       ARG  19   6.912   7.388  -2.206
  165    HB2  ARG  19           HB2      ARG  19   7.400   4.492  -1.532
  166    HB3  ARG  19           HB1      ARG  19   8.232   5.333  -2.833
  167    HG2  ARG  19           HG2      ARG  19   8.875   7.036  -0.991
  168    HG3  ARG  19           HG1      ARG  19   8.439   5.738   0.125
  169    HD2  ARG  19           HD2      ARG  19  10.821   5.704  -0.362
  170    HD3  ARG  19           HD1      ARG  19  10.033   4.255  -0.987
  171    HE   ARG  19           HE       ARG  19  10.314   6.422  -2.886
  172   HH11  ARG  19          HH11      ARG  19  11.757   3.536  -1.544
  173   HH12  ARG  19          HH12      ARG  19  12.718   3.205  -2.949
  174   HH21  ARG  19          HH21      ARG  19  11.612   6.014  -4.731
  175   HH22  ARG  19          HH22      ARG  19  12.644   4.620  -4.756
  176    H    CYS  20           HN       CYS  20   5.237   4.238  -2.340
  177    HA   CYS  20           HA       CYS  20   4.995   4.335  -5.181
  178    HB2  CYS  20           HB2      CYS  20   3.529   2.584  -3.204
  179    HB3  CYS  20           HB1      CYS  20   3.588   2.343  -4.938
  180    H    LEU  21           HN       LEU  21   3.135   5.464  -2.555
  181    HA   LEU  21           HA       LEU  21   1.152   6.496  -2.311
  182    HB2  LEU  21           HB2      LEU  21   1.093   6.786  -5.309
  183    HB3  LEU  21           HB1      LEU  21   0.186   7.721  -4.139
  184    HG   LEU  21           HG       LEU  21   3.092   7.887  -4.835
  185   HD11  LEU  21          HD11      LEU  21   0.898   9.917  -4.513
  186   HD12  LEU  21          HD12      LEU  21   1.533   9.293  -6.036
  187   HD13  LEU  21          HD13      LEU  21   2.560  10.265  -4.984
  188   HD21  LEU  21          HD21      LEU  21   3.422   9.357  -2.896
  189   HD22  LEU  21          HD22      LEU  21   3.078   7.693  -2.427
  190   HD23  LEU  21          HD23      LEU  21   1.816   8.923  -2.307
  191    H    VAL  22           HN       VAL  22   1.485   3.575  -3.221
  192    HA   VAL  22           HA       VAL  22  -1.055   2.940  -4.354
  193    HB   VAL  22           HB       VAL  22   0.894   1.486  -4.770
  194   HG11  VAL  22          HG11      VAL  22   0.679   0.712  -1.867
  195   HG12  VAL  22          HG12      VAL  22   1.974   1.669  -2.579
  196   HG13  VAL  22          HG13      VAL  22   1.756  -0.011  -3.065
  197   HG21  VAL  22          HG21      VAL  22  -1.374   0.142  -3.310
  198   HG22  VAL  22          HG22      VAL  22  -0.226  -0.671  -4.374
  199   HG23  VAL  22          HG23      VAL  22  -1.320   0.552  -5.024
  200    H    GLN  23           HN       GLN  23  -2.850   2.907  -3.326
  201    HA   GLN  23           HA       GLN  23  -3.004   3.129  -0.476
  202    HB2  GLN  23           HB2      GLN  23  -5.130   2.852  -2.606
  203    HB3  GLN  23           HB1      GLN  23  -5.466   3.146  -0.905
  204    HG2  GLN  23           HG2      GLN  23  -4.324   5.254  -0.982
  205    HG3  GLN  23           HG1      GLN  23  -3.798   4.955  -2.635
  206   HE21  GLN  23          HE21      GLN  23  -6.349   3.835  -3.445
  207   HE22  GLN  23          HE22      GLN  23  -7.441   5.170  -3.585
  208    H    THR  24           HN       THR  24  -2.432   1.405   0.611
  209    HA   THR  24           HA       THR  24  -3.227  -1.258  -0.254
  210    HB   THR  24           HB       THR  24  -1.800  -1.872   1.826
  211    HG1  THR  24           HG1      THR  24  -0.343  -0.226   2.428
  212   HG21  THR  24          HG21      THR  24  -1.124  -2.127  -0.563
  213   HG22  THR  24          HG22      THR  24   0.217  -1.805   0.534
  214   HG23  THR  24          HG23      THR  24  -0.416  -0.512  -0.486
  215    H    CYS  25           HN       CYS  25  -4.086  -2.765   1.326
  216    HA   CYS  25           HA       CYS  25  -6.277  -1.553   2.766
  217    HB2  CYS  25           HB2      CYS  25  -7.158  -3.808   2.929
  218    HB3  CYS  25           HB1      CYS  25  -6.605  -3.528   1.295
  219    H    SER  26           HN       SER  26  -3.227  -3.071   3.443
  220    HA   SER  26           HA       SER  26  -3.483  -2.430   6.243
  221    HB2  SER  26           HB2      SER  26  -3.032  -5.320   5.447
  222    HB3  SER  26           HB1      SER  26  -3.092  -4.679   7.087
  223    HG   SER  26           HG       SER  26  -5.325  -3.921   5.984
  224    H    LEU  27           HN       LEU  27  -1.374  -3.329   7.406
  225    HA   LEU  27           HA       LEU  27   0.854  -2.195   6.102
  226    HB2  LEU  27           HB2      LEU  27   0.659  -4.014   8.496
  227    HB3  LEU  27           HB1      LEU  27   2.172  -3.331   7.937
  228    HG   LEU  27           HG       LEU  27  -0.200  -1.699   8.840
  229   HD11  LEU  27          HD11      LEU  27   0.734  -2.973  10.689
  230   HD12  LEU  27          HD12      LEU  27   1.132  -1.263  10.849
  231   HD13  LEU  27          HD13      LEU  27   2.352  -2.403  10.282
  232   HD21  LEU  27          HD21      LEU  27   2.649  -0.935   8.208
  233   HD22  LEU  27          HD22      LEU  27   1.420   0.143   8.864
  234   HD23  LEU  27          HD23      LEU  27   1.226  -0.533   7.248
  235    H    GLU  28           HN       GLU  28  -0.339  -5.481   6.340
  236    HA   GLU  28           HA       GLU  28   1.823  -6.937   5.435
  237    HB2  GLU  28           HB2      GLU  28  -0.313  -7.918   6.193
  238    HB3  GLU  28           HB1      GLU  28  -1.083  -7.368   4.712
  239    HG2  GLU  28           HG2      GLU  28  -0.528  -9.737   4.615
  240    HG3  GLU  28           HG1      GLU  28   0.357  -8.814   3.400
  241    H    CYS  29           HN       CYS  29  -0.725  -5.460   3.421
  242    HA   CYS  29           HA       CYS  29   0.536  -6.103   0.980
  243    HB2  CYS  29           HB2      CYS  29  -1.731  -4.343   1.794
  244    HB3  CYS  29           HB1      CYS  29  -1.091  -4.222   0.161
  245    H    SER  30           HN       SER  30   0.904  -3.497   3.222
  246    HA   SER  30           HA       SER  30   2.067  -1.632   1.415
  247    HB2  SER  30           HB2      SER  30   2.338  -1.823   4.424
  248    HB3  SER  30           HB1      SER  30   2.753  -0.421   3.436
  249    HG   SER  30           HG       SER  30   0.219  -1.493   4.049
  250    H    LYS  31           HN       LYS  31   3.303  -4.204   3.472
  251    HA   LYS  31           HA       LYS  31   6.030  -3.551   2.673
  252    HB2  LYS  31           HB2      LYS  31   6.748  -5.174   4.322
  253    HB3  LYS  31           HB1      LYS  31   5.597  -4.057   5.039
  254    HG2  LYS  31           HG2      LYS  31   3.832  -5.752   4.797
  255    HG3  LYS  31           HG1      LYS  31   5.029  -6.876   4.147
  256    HD2  LYS  31           HD2      LYS  31   6.318  -6.665   6.239
  257    HD3  LYS  31           HD1      LYS  31   5.064  -5.609   6.884
  258    HE2  LYS  31           HE2      LYS  31   4.804  -7.882   7.714
  259    HE3  LYS  31           HE1      LYS  31   3.437  -7.416   6.706
  260    HZ1  LYS  31           HZ1      LYS  31   4.490  -9.716   6.384
  261    HZ2  LYS  31           HZ2      LYS  31   5.708  -8.897   5.544
  262    HZ3  LYS  31           HZ3      LYS  31   4.101  -8.812   5.007
  263    H    LYS  32           HN       LYS  32   3.499  -5.382   1.587
  264    HA   LYS  32           HA       LYS  32   4.744  -7.709   0.637
  265    HB2  LYS  32           HB2      LYS  32   2.227  -6.349   0.266
  266    HB3  LYS  32           HB1      LYS  32   2.789  -7.091  -1.226
  267    HG2  LYS  32           HG2      LYS  32   3.044  -9.225  -0.054
  268    HG3  LYS  32           HG1      LYS  32   2.462  -8.473   1.432
  269    HD2  LYS  32           HD2      LYS  32   0.336  -7.986   0.348
  270    HD3  LYS  32           HD1      LYS  32   0.924  -8.725  -1.141
  271    HE2  LYS  32           HE2      LYS  32   0.675 -10.156   1.497
  272    HE3  LYS  32           HE1      LYS  32  -0.531 -10.219   0.214
  273    HZ1  LYS  32           HZ1      LYS  32   2.283 -11.140   0.004
  274    HZ2  LYS  32           HZ2      LYS  32   1.145 -11.182  -1.244
  275    HZ3  LYS  32           HZ3      LYS  32   0.919 -12.131   0.136
  276    H    HIS  33           HN       HIS  33   4.242  -4.542  -0.894
  277    HA   HIS  33           HA       HIS  33   5.616  -5.380  -3.261
  278    HB2  HIS  33           HB2      HIS  33   5.345  -3.111  -4.049
  279    HB3  HIS  33           HB1      HIS  33   3.846  -3.653  -3.309
  280    HD1  HIS  33           HD1      HIS  33   2.811  -1.634  -2.256
  281    HD2  HIS  33           HD2      HIS  33   6.898  -1.793  -1.649
  282    HE1  HIS  33           HE1      HIS  33   3.392   0.340  -0.788
  283    H    LYS  34           HN       LYS  34   6.581  -4.325  -0.187
  284    HA   LYS  34           HA       LYS  34   9.021  -3.032  -0.966
  285    HB2  LYS  34           HB2      LYS  34   8.150  -4.134   1.715
  286    HB3  LYS  34           HB1      LYS  34   9.586  -3.157   1.446
  287    HG2  LYS  34           HG2      LYS  34   8.186  -1.291   0.724
  288    HG3  LYS  34           HG1      LYS  34   6.745  -2.274   0.987
  289    HD2  LYS  34           HD2      LYS  34   7.412  -2.495   3.381
  290    HD3  LYS  34           HD1      LYS  34   8.738  -1.378   3.067
  291    HE2  LYS  34           HE2      LYS  34   7.211   0.378   2.501
  292    HE3  LYS  34           HE1      LYS  34   5.838  -0.725   2.576
  293    HZ1  LYS  34           HZ1      LYS  34   6.158  -0.963   4.930
  294    HZ2  LYS  34           HZ2      LYS  34   6.060   0.681   4.562
  295    HZ3  LYS  34           HZ3      LYS  34   7.560  -0.022   4.892
  296    H    THR  35           HN       THR  35   8.022  -6.262  -0.129
  297    HA   THR  35           HA       THR  35  10.717  -7.206   0.252
  298    HB   THR  35           HB       THR  35   8.742  -8.063   1.540
  299    HG1  THR  35           HG1      THR  35  10.832  -9.271   1.023
  300   HG21  THR  35          HG21      THR  35   8.097  -9.432  -1.070
  301   HG22  THR  35          HG22      THR  35   7.106  -8.233  -0.237
  302   HG23  THR  35          HG23      THR  35   7.364  -9.820   0.485
  303    H    ARG  36           HN       ARG  36   9.010  -6.485  -2.467
  304    HA   ARG  36           HA       ARG  36  10.509  -8.477  -4.019
  305    HB2  ARG  36           HB2      ARG  36   8.582  -8.564  -5.619
  306    HB3  ARG  36           HB1      ARG  36   8.275  -9.285  -4.047
  307    HG2  ARG  36           HG2      ARG  36   7.117  -7.205  -3.370
  308    HG3  ARG  36           HG1      ARG  36   7.339  -6.592  -5.011
  309    HD2  ARG  36           HD2      ARG  36   5.121  -7.538  -4.765
  310    HD3  ARG  36           HD1      ARG  36   6.076  -8.513  -5.881
  311    HE   ARG  36           HE       ARG  36   6.166  -9.464  -3.172
  312   HH11  ARG  36          HH11      ARG  36   4.333  -9.524  -6.152
  313   HH12  ARG  36          HH12      ARG  36   3.600 -11.058  -5.820
  314   HH21  ARG  36          HH21      ARG  36   5.202 -11.482  -2.721
  315   HH22  ARG  36          HH22      ARG  36   4.099 -12.176  -3.867
  316    H    ASP  37           HN       ASP  37   9.152  -5.255  -3.854
  317    HA   ASP  37           HA       ASP  37  10.501  -4.548  -6.359
  318    HB2  ASP  37           HB2      ASP  37   8.090  -3.990  -6.154
  319    HB3  ASP  37           HB1      ASP  37   8.458  -2.983  -4.761
  320    H    ASN  38           HN       ASN  38  11.139  -4.683  -3.182
  321    HA   ASN  38           HA       ASN  38  12.754  -3.851  -1.845
  322    HB2  ASN  38           HB2      ASN  38  13.750  -2.986  -4.538
  323    HB3  ASN  38           HB1      ASN  38  14.625  -2.562  -3.072
  324   HD21  ASN  38          HD21      ASN  38  16.396  -3.789  -3.694
  325   HD22  ASN  38          HD22      ASN  38  16.383  -5.519  -3.622
  326    H    CYS  39           HN       CYS  39  10.353  -2.323  -2.193
  327    HA   CYS  39           HA       CYS  39  11.157   0.453  -2.014
  328    HB2  CYS  39           HB2      CYS  39   9.024  -0.093  -3.082
  329    HB3  CYS  39           HB1      CYS  39   8.479  -0.893  -1.617
  330    H    SER  40           HN       SER  40  10.347   1.720  -0.113
  331    HA   SER  40           HA       SER  40   9.943   0.285   2.341
  332    HB2  SER  40           HB2      SER  40  12.478   0.564   2.054
  333    HB3  SER  40           HB1      SER  40  12.199   2.293   2.251
  334    HG   SER  40           HG       SER  40  12.694   0.840   4.178
  335    H    GLY  41           HN       GLY  41   9.071   1.699   3.988
  336    HA2  GLY  41           HA2      GLY  41   7.606   3.893   2.763
  337    HA3  GLY  41           HA1      GLY  41   7.318   3.211   4.354
  338    H    GLN  42           HN       GLN  42   9.886   4.912   2.603
  339    HA   GLN  42           HA       GLN  42  10.223   6.652   4.944
  340    HB2  GLN  42           HB2      GLN  42  12.453   5.498   3.256
  341    HB3  GLN  42           HB1      GLN  42  12.654   6.653   4.565
  342    HG2  GLN  42           HG2      GLN  42  11.713   4.963   6.121
  343    HG3  GLN  42           HG1      GLN  42  11.697   3.809   4.789
  344   HE21  GLN  42          HE21      GLN  42  13.663   5.630   6.980
  345   HE22  GLN  42          HE22      GLN  42  15.139   4.774   6.695
  346    H    THR  43           HN       THR  43   9.182   8.373   4.070
  347    HA   THR  43           HA       THR  43   9.488   9.217   1.391
  348    HB   THR  43           HB       THR  43   8.733  11.248   3.405
  349    HG1  THR  43           HG1      THR  43   7.023  10.169   4.181
  350   HG21  THR  43          HG21      THR  43   6.854  11.559   1.854
  351   HG22  THR  43          HG22      THR  43   7.382  10.151   0.933
  352   HG23  THR  43          HG23      THR  43   8.397  11.592   1.001
  353    H    HIS  44           HN       HIS  44  11.588   9.554   0.827
  354    HA   HIS  44           HA       HIS  44  13.242  11.266   2.532
  355    HB2  HIS  44           HB2      HIS  44  15.125  10.479   1.053
  356    HB3  HIS  44           HB1      HIS  44  14.341   9.217   1.993
  357    HD1  HIS  44           HD1      HIS  44  12.987   7.434   0.701
  358    HD2  HIS  44           HD2      HIS  44  14.841  10.257  -1.730
  359    HE1  HIS  44           HE1      HIS  44  12.885   6.497  -1.629
  360    HE2  HIS  44           HE2      HIS  44  13.934   8.252  -3.098
  361    H    ASP  45           HN       ASP  45  11.232  12.570   1.227
  362    HA   ASP  45           HA       ASP  45  12.639  14.024  -0.913
  363    HB2  ASP  45           HB2      ASP  45   9.685  13.588  -0.443
  364    HB3  ASP  45           HB1      ASP  45  10.301  14.799  -1.560