*HEADER    METAL BINDING PROTEIN                   06-NOV-15   2N95              
*TITLE     NMR STRUCTURE OF YEAST HIT1 PROTEIN ZINC FINGER                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN HIT1;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (UNP RESIDUES 1-46);                    
*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: HIT1, YJR055W, J1705;                                          
*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    HIT1, ZINC FINGER, METAL BINDING PROTEIN                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.BRAGANTINI, M.QUINTERNET, X.MANIVAL                                 
*REVDAT   1   11-MAY-16 2N95    0                                                




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assign (resid   10 and name HA   ) (resid   19 and name HN   )    3.43    3.43    0.00
assign (resid   10 and name HA   ) (resid   18 and name HN   )    4.62    4.62    0.00
assign (resid   34 and name HA   ) (resid   36 and name HN   )    4.66    4.66    0.00
assign (resid   26 and name HN   ) (resid   27 and name HA2  )    4.40    4.40    0.00
assign (resid   39 and name HA   ) (resid   42 and name HN   )    4.28    4.28    0.00
assign (resid   21 and name HA   ) (resid   21 and name HE1  )    4.98    4.98    0.00
assign (resid   24 and name HD2  ) (resid   30 and name HE1  )    5.47    5.47    0.00
assign (resid   26 and name HB2  ) (resid   44 and name HD2  )    3.55    3.55    0.00
assign (resid   23 and name HB1  ) (resid   36 and name HE1  )    5.55    5.55    0.00
assign (resid   26 and name HB2  ) (resid   27 and name HN   )    4.85    4.85    0.00
assign (resid   12 and name HN   ) (resid   19 and name HA1  )    5.23    5.23    0.00
assign (resid   29 and name HN   ) (resid   29 and name HG2  )    4.60    4.60    0.00
assign (resid   13 and name HN   ) (resid   28 and name HG2* )    5.00    5.00    0.00
assign (resid   13 and name HG2* ) (resid   14 and name HN   )    3.78    3.78    0.00
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assign (resid   25 and name HB*  ) (resid   27 and name HN   )    4.23    4.23    0.00
assign (resid    9 and name HG2* ) (resid   10 and name HN   )    3.74    3.74    0.00
assign (resid    9 and name HG1* ) (resid   10 and name HN   )    4.28    4.28    0.00
assign (resid   13 and name HG1* ) (resid   29 and name HN   )    5.06    5.06    0.00
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assign (resid   20 and name HG2  ) (resid   21 and name HE1  )    4.99    4.99    0.00
assign (resid   28 and name HG1* ) (resid   42 and name HD2  )    3.30    3.30    0.00
assign (resid   13 and name HD1* ) (resid   42 and name HD2  )    4.01    4.01    0.00
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assign (resid   20 and name HD*  ) (resid   21 and name HD1  )    4.24    4.24    0.00
assign (resid   21 and name HB2  ) (resid   21 and name HD1  )    3.34    3.34    0.00
assign (resid   20 and name HG2  ) (resid   21 and name HD1  )    4.28    4.28    0.00
assign (resid   28 and name HG1* ) (resid   42 and name HE1  )    4.32    4.32    0.00
assign (resid   25 and name HG1  ) (resid   44 and name HE1  )    4.88    4.88    0.00
assign (resid   28 and name HG1* ) (resid   30 and name HE1  )    4.69    4.69    0.00
assign (resid   13 and name HD1* ) (resid   36 and name HD1  )    4.79    4.79    0.00
assign (resid   20 and name HG1  ) (resid   21 and name HD1  )    4.58    4.58    0.00
assign (resid   28 and name HG1* ) (resid   44 and name HD2  )    5.27    5.27    0.00
assign (resid   28 and name HG1* ) (resid   30 and name HA   )    4.94    4.94    0.00
assign (resid   28 and name HB   ) (resid   42 and name HD2  )    4.14    4.14    0.00
assign (resid   21 and name HB1  ) (resid   30 and name HE1  )    4.20    4.20    0.00
assign (resid   11 and name HB2  ) (resid   17 and name HN   )    4.48    4.48    0.00
assign (resid   26 and name HB1  ) (resid   44 and name HD2  )    3.55    3.55    0.00
assign (resid   20 and name HE*  ) (resid   21 and name HE1  )    4.10    4.10    0.00
assign (resid   36 and name HA   ) (resid   38 and name HN   )    4.61    4.61    0.00
assign (resid   14 and name HB2  ) (resid   15 and name HN   )    4.62    4.62    0.00
assign (resid   30 and name HN   ) (resid   31 and name HN   )    4.56    4.56    0.00
assign (resid   11 and name HN   ) (resid   16 and name HN   )    4.23    4.23    0.00
assign (resid   11 and name HN   ) (resid   18 and name HN   )    4.87    4.87    0.00
assign (resid   25 and name HG2  ) (resid   27 and name HN   )    5.92    5.92    0.00
assign (resid   36 and name HE1  ) (resid   37 and name HG1  )    6.00    6.00    0.00
assign (resid   33 and name HA   ) (resid   36 and name HD1  )    5.45    5.45    0.00
assign (resid   33 and name HN   ) (resid   36 and name HB2  )    5.18    5.18    0.00
assign (resid   34 and name HA   ) (resid   37 and name HN   )    5.59    5.59    0.00
assign (resid   22 and name HN   ) (resid   22 and name HD*  )    4.94    4.94    0.00
assign (resid   13 and name HG2* ) (resid   38 and name HN   )    5.07    5.07    0.00
assign (resid   36 and name HB2  ) (resid   36 and name HD1  )    3.67    3.67    0.00
assign (resid   30 and name HB2  ) (resid   30 and name HE1  )    4.99    4.99    0.00
assign (resid   36 and name HD1  ) (resid   37 and name HG2  )    4.50    4.50    0.00
assign (resid   28 and name HG1* ) (resid   36 and name HD1  )    5.60    5.60    0.00
assign (resid   43 and name HA   ) (resid   43 and name HG2* )    3.63    3.63    0.00
assign (resid   13 and name HB   ) (resid   13 and name HD1* )    4.05    4.05    0.00
assign (resid   13 and name HG2* ) (resid   28 and name HG1* )    4.96    4.96    0.00
assign (resid   13 and name HA   ) (resid   13 and name HG2* )    3.10    3.10    0.00
assign (resid   33 and name HA   ) (resid   33 and name HD1* )    3.90    3.90    0.00
assign (resid   33 and name HA   ) (resid   33 and name HD2* )    3.90    3.90    0.00
assign (resid   13 and name HG2* ) (resid   41 and name HA   )    4.37    4.37    0.00
assign (resid   11 and name HB1  ) (resid   15 and name HA   )    4.84    4.84    0.00
assign (resid   11 and name HB1  ) (resid   16 and name HA2  )    5.80    5.80    0.00
assign (resid    4 and name HA   ) (resid    4 and name HE*  )    4.34    4.34    0.00
assign (resid   12 and name HA2  ) (resid   28 and name HG2* )    4.91    4.91    0.00
assign (resid   23 and name HB2  ) (resid   28 and name HG1* )    3.63    3.63    0.00
assign (resid   17 and name HG2* ) (resid   31 and name HB2  )    4.29    4.29    0.00
assign (resid   13 and name HD1* ) (resid   35 and name HB2  )    4.59    4.59    0.00
assign (resid   20 and name HG1  ) (resid   21 and name HB2  )    3.42    3.42    0.00
assign (resid   13 and name HG2* ) (resid   13 and name HD1* )    3.15    3.15    0.00
assign (resid   24 and name HD2  ) (resid   25 and name HG2  )    4.19    4.19    0.00
assign (resid   34 and name HA   ) (resid   34 and name HG2  )    4.12    4.12    0.00
assign (resid   25 and name HA   ) (resid   25 and name HD*  )    3.06    3.06    0.00
assign (resid   16 and name HA2  ) (resid   17 and name HG1* )    4.22    4.22    0.00
assign (resid   41 and name HA   ) (resid   41 and name HD1  )    4.58    4.58    0.00
assign (resid   41 and name HA   ) (resid   41 and name HD2  )    4.58    4.58    0.00
assign (resid   16 and name HA1  ) (resid   17 and name HG2* )    4.16    4.16    0.00
assign (resid   33 and name HD1* ) (resid   36 and name HB1  )    4.64    4.64    0.00
assign (resid   10 and name HB1  ) (resid   10 and name HE*  )    3.79    3.79    0.00
assign (resid   34 and name HB*  ) (resid   35 and name HB2  )    5.46    5.46    0.00
assign (resid   13 and name HG1* ) (resid   35 and name HB1  )    3.86    3.86    0.00
assign (resid   10 and name HG*  ) (resid   10 and name HE*  )    3.98    3.98    0.00
assign (resid   13 and name HG2* ) (resid   41 and name HB2  )    3.23    3.23    0.00
assign (resid   11 and name HA   ) (resid   19 and name HA2  )    3.76    3.76    0.00
assign (resid   22 and name HE*  ) (resid   27 and name HA2  )    4.33    4.33    0.00
assign (resid   19 and name HA2  ) (resid   31 and name HB2  )    4.44    4.44    0.00
assign (resid   20 and name HB*  ) (resid   20 and name HD*  )    2.80    2.80    0.00
assign (resid   13 and name HG1* ) (resid   30 and name HB1  )    4.53    4.53    0.00
assign (resid   14 and name HB1  ) (resid   16 and name HA1  )    6.00    6.00    0.00
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assign (resid   36 and name HB1  ) (resid   37 and name HA   )    4.99    4.99    0.00
assign (resid   37 and name HA   ) (resid   37 and name HE*  )    5.43    5.43    0.00
assign (resid   36 and name HD1  ) (resid   37 and name HG1  )    4.48    4.48    0.00
assign (resid   23 and name HA   ) (resid   28 and name HG1* )    5.51    5.51    0.00
assign (resid   23 and name HN   ) (resid   30 and name HD1  )    5.77    5.77    0.00
assign (resid   21 and name HN   ) (resid   21 and name HE1  )    5.37    5.37    0.00
assign (resid    9 and name HN   ) (resid   10 and name HN   )    4.54    4.54    0.00
assign (resid   11 and name HN   ) (resid   12 and name HN   )    4.55    4.55    0.00
assign (resid   15 and name HN   ) (resid   16 and name HN   )    3.27    3.27    0.00
assign (resid   16 and name HN   ) (resid   17 and name HN   )    3.02    3.02    0.00
assign (resid   20 and name HN   ) (resid   21 and name HN   )    3.12    3.12    0.00
assign (resid   21 and name HN   ) (resid   22 and name HN   )    4.59    4.59    0.00
assign (resid   26 and name HN   ) (resid   27 and name HN   )    2.70    2.70    0.00
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assign (resid   41 and name HN   ) (resid   42 and name HN   )    2.97    2.97    0.00
assign (resid    8 and name HN   ) (resid    9 and name HG2* )    6.00    6.00    0.00
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assign (resid    8 and name HN   ) (resid    9 and name HN   )    5.54    5.54    0.00
assign (resid    8 and name HA   ) (resid    9 and name HN   )    2.75    2.75    0.00
assign (resid    8 and name HB*  ) (resid    9 and name HN   )    3.41    3.41    0.00
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assign (resid   10 and name HN   ) (resid   10 and name HE*  )    5.13    5.13    0.00
assign (resid   10 and name HN   ) (resid   10 and name HB2  )    3.11    3.11    0.00
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assign (resid   10 and name HN   ) (resid   10 and name HD*  )    3.99    3.99    0.00
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assign (resid   11 and name HN   ) (resid   17 and name HB   )    5.98    5.98    0.00
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assign (resid   10 and name HG*  ) (resid   11 and name HN   )    4.64    4.64    0.00
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assign (resid   11 and name HB1  ) (resid   12 and name HN   )    4.62    4.62    0.00
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assign (resid   11 and name HB2  ) (resid   13 and name HN   )    4.87    4.87    0.00
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assign (resid   12 and name HN   ) (resid   14 and name HN   )    4.87    4.87    0.00
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assign (resid   10 and name HN   ) (resid   19 and name HN   )    4.33    4.33    0.00
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assign (resid   19 and name HN   ) (resid   19 and name HA1  )    2.89    2.89    0.00
assign (resid   11 and name HB1  ) (resid   19 and name HN   )    5.61    5.61    0.00
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assign (resid   20 and name HN   ) (resid   21 and name HD1  )    4.54    4.54    0.00
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assign (resid   20 and name HN   ) (resid   20 and name HB*  )    3.06    3.06    0.00
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assign (resid   35 and name SG   ) (resid  150 and name ZN   )    2.40    2.40    0.20
assign (resid   23 and name CB   ) (resid  170 and name ZN   )    3.60    3.60    0.20
assign (resid   26 and name CB   ) (resid  170 and name ZN   )    3.60    3.60    0.20
assign (resid   23 and name SG   ) (resid  170 and name ZN   )    2.40    2.40    0.20
assign (resid   26 and name SG   ) (resid  170 and name ZN   )    2.40    2.40    0.20
assign (resid   42 and name NE2  ) (resid  170 and name ZN   )    2.10    2.10    0.20
assign (resid   44 and name NE2  ) (resid  170 and name ZN   )    2.10    2.10    0.20
assign (resid   11 and name SG   ) (resid   14 and name SG   )    3.95    3.95    0.20
assign (resid   11 and name SG   ) (resid   31 and name SG   )    3.95    3.95    0.20
assign (resid   11 and name SG   ) (resid   35 and name SG   )    3.95    3.95    0.20
assign (resid   14 and name SG   ) (resid   31 and name SG   )    3.95    3.95    0.20
assign (resid   14 and name SG   ) (resid   35 and name SG   )    3.95    3.95    0.20
assign (resid   31 and name SG   ) (resid   35 and name SG   )    3.95    3.95    0.20
assign (resid   23 and name SG   ) (resid   26 and name SG   )    3.95    3.95    0.20
assign (resid   23 and name SG   ) (resid   42 and name NE2  )    3.95    3.95    0.20
assign (resid   26 and name SG   ) (resid   42 and name NE2  )    3.95    3.95    0.20
assign (resid   23 and name SG   ) (resid   44 and name NE2  )    3.95    3.95    0.20
assign (resid   26 and name SG   ) (resid   44 and name NE2  )    3.95    3.95    0.20
assign (resid   42 and name NE2  ) (resid   44 and name NE2  )    3.95    3.95    0.20
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name SG   )    1.0 -172.7   16.3 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0   78.6   16.2 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name SG   )    1.0 -164.8   16.4 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name SG   )    1.0   56.0   15.3 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name SG   )    1.0   58.0   15.4 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name CB   ) (resid   35 and name SG   )    1.0  -49.3   16.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name CB   ) (resid   42 and name CG   )    1.0 -166.8   18.4 2
assign (resid   42 and name CA   ) (resid   42 and name CB   )
       (resid   42 and name CG   ) (resid   42 and name ND1  )    1.0 -152.4   19.1 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name CB   ) (resid   44 and name CG   )    1.0  -72.3   18.9 2
assign (resid   44 and name CA   ) (resid   44 and name CB   )
       (resid   44 and name CG   ) (resid   44 and name ND1  )    1.0  156.3   19.5 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -2           HT1      GLY  -2 -31.312   5.256  -1.140
    2    H2   GLY  -2           HT2      GLY  -2 -29.875   5.539  -0.297
    3    H3   GLY  -2           HT3      GLY  -2 -29.937   4.335  -1.480
    4    HA2  GLY  -2           HA1      GLY  -2 -30.292   5.984  -3.198
    5    HA3  GLY  -2           HA2      GLY  -2 -30.240   7.243  -1.973
    6    HA   PRO  -1           HA       PRO  -1 -25.942   6.172  -3.627
    7    HB2  PRO  -1           HB2      PRO  -1 -25.890   8.656  -5.109
    8    HB3  PRO  -1           HB1      PRO  -1 -25.748   7.008  -5.717
    9    HG2  PRO  -1           HG2      PRO  -1 -27.895   8.615  -6.218
   10    HG3  PRO  -1           HG1      PRO  -1 -27.984   6.845  -6.174
   11    HD2  PRO  -1           HD2      PRO  -1 -28.746   8.835  -4.070
   12    HD3  PRO  -1           HD1      PRO  -1 -29.580   7.349  -4.571
   13    H    HIS   0           HN       HIS   0 -25.479   6.639  -1.373
   14    HA   HIS   0           HA       HIS   0 -24.518   9.395  -0.984
   15    HB2  HIS   0           HB2      HIS   0 -26.225   8.672   0.659
   16    HB3  HIS   0           HB1      HIS   0 -25.179   7.342   1.139
   17    HD1  HIS   0           HD1      HIS   0 -23.911   7.828   3.206
   18    HD2  HIS   0           HD2      HIS   0 -24.679  11.282   1.025
   19    HE1  HIS   0           HE1      HIS   0 -22.935   9.710   4.552
   20    HE2  HIS   0           HE2      HIS   0 -23.330  11.779   3.173
   21    H    MET   1           HN       MET   1 -23.628   6.073  -1.197
   22    HA   MET   1           HA       MET   1 -21.114   6.311   0.124
   23    HB2  MET   1           HB2      MET   1 -20.636   4.101  -0.685
   24    HB3  MET   1           HB1      MET   1 -22.316   4.145  -0.181
   25    HG2  MET   1           HG2      MET   1 -22.483   2.993  -2.141
   26    HG3  MET   1           HG1      MET   1 -22.760   4.637  -2.705
   27    HE1  MET   1           HE1      MET   1 -19.485   2.650  -1.711
   28    HE2  MET   1           HE2      MET   1 -18.879   2.216  -3.308
   29    HE3  MET   1           HE3      MET   1 -20.400   1.539  -2.727
   30    H    VAL   2           HN       VAL   2 -19.057   6.472  -0.760
   31    HA   VAL   2           HA       VAL   2 -18.920   7.283  -3.587
   32    HB   VAL   2           HB       VAL   2 -17.190   8.949  -3.003
   33   HG11  VAL   2          HG11      VAL   2 -19.490   9.672  -3.295
   34   HG12  VAL   2          HG12      VAL   2 -18.699  10.624  -2.041
   35   HG13  VAL   2          HG13      VAL   2 -19.827   9.346  -1.595
   36   HG21  VAL   2          HG21      VAL   2 -16.892   9.648  -0.678
   37   HG22  VAL   2          HG22      VAL   2 -16.422   7.963  -0.902
   38   HG23  VAL   2          HG23      VAL   2 -17.966   8.355  -0.147
   39    H    SER   3           HN       SER   3 -18.324   4.797  -2.012
   40    HA   SER   3           HA       SER   3 -16.782   3.151  -1.844
   41    HB2  SER   3           HB2      SER   3 -16.627   3.462  -4.302
   42    HB3  SER   3           HB1      SER   3 -15.352   4.653  -4.056
   43    HG   SER   3           HG       SER   3 -14.009   3.073  -3.317
   44    H    SER   4           HN       SER   4 -16.457   4.296   0.251
   45    HA   SER   4           HA       SER   4 -14.078   5.882   0.569
   46    HB2  SER   4           HB2      SER   4 -15.852   4.639   2.685
   47    HB3  SER   4           HB1      SER   4 -14.695   5.951   2.918
   48    HG   SER   4           HG       SER   4 -15.969   7.292   1.703
   49    H    ALA   5           HN       ALA   5 -13.208   3.689  -0.597
   50    HA   ALA   5           HA       ALA   5 -11.484   2.492   1.395
   51    HB1  ALA   5           HB1      ALA   5 -11.937   0.189   0.675
   52    HB2  ALA   5           HB2      ALA   5 -13.231   0.772  -0.372
   53    HB3  ALA   5           HB3      ALA   5 -13.375   0.930   1.378
   54    H    VAL   6           HN       VAL   6  -9.876   1.055   0.289
   55    HA   VAL   6           HA       VAL   6  -9.186   2.207  -2.314
   56    HB   VAL   6           HB       VAL   6  -8.179   3.472  -0.365
   57   HG11  VAL   6          HG11      VAL   6  -7.736   1.563   1.082
   58   HG12  VAL   6          HG12      VAL   6  -6.274   2.498   0.781
   59   HG13  VAL   6          HG13      VAL   6  -6.531   0.970  -0.060
   60   HG21  VAL   6          HG21      VAL   6  -7.271   3.652  -2.574
   61   HG22  VAL   6          HG22      VAL   6  -6.317   2.189  -2.339
   62   HG23  VAL   6          HG23      VAL   6  -5.966   3.634  -1.391
   63    H    LYS   7           HN       LYS   7  -7.645   0.922  -3.503
   64    HA   LYS   7           HA       LYS   7  -7.676  -1.891  -2.693
   65    HB2  LYS   7           HB2      LYS   7  -6.846  -0.685  -5.338
   66    HB3  LYS   7           HB1      LYS   7  -7.049  -2.395  -4.982
   67    HG2  LYS   7           HG2      LYS   7  -9.252  -0.353  -4.933
   68    HG3  LYS   7           HG1      LYS   7  -8.921  -1.471  -6.258
   69    HD2  LYS   7           HD2      LYS   7  -9.229  -3.351  -4.638
   70    HD3  LYS   7           HD1      LYS   7  -9.754  -2.162  -3.446
   71    HE2  LYS   7           HE2      LYS   7 -11.549  -1.459  -4.981
   72    HE3  LYS   7           HE1      LYS   7 -11.041  -2.711  -6.112
   73    HZ1  LYS   7           HZ1      LYS   7 -12.910  -3.441  -4.777
   74    HZ2  LYS   7           HZ2      LYS   7 -12.037  -3.173  -3.354
   75    HZ3  LYS   7           HZ3      LYS   7 -11.544  -4.377  -4.434
   76    H    CYS   8           HN       CYS   8  -5.739  -3.176  -2.920
   77    HA   CYS   8           HA       CYS   8  -3.448  -2.016  -1.757
   78    HB2  CYS   8           HB2      CYS   8  -4.053  -4.434  -1.658
   79    HB3  CYS   8           HB1      CYS   8  -3.630  -4.578  -3.353
   80    H    GLY   9           HN       GLY   9  -2.157  -0.583  -2.730
   81    HA2  GLY   9           HA2      GLY   9  -2.115  -0.283  -5.578
   82    HA3  GLY   9           HA1      GLY   9  -1.145   0.613  -4.421
   83    H    ILE  10           HN       ILE  10  -0.675  -2.583  -3.762
   84    HA   ILE  10           HA       ILE  10   1.885  -2.477  -5.173
   85    HB   ILE  10           HB       ILE  10   1.103  -4.235  -2.847
   86   HG12  ILE  10          HG12      ILE  10   2.416  -1.525  -2.990
   87   HG13  ILE  10          HG11      ILE  10   1.010  -2.009  -2.050
   88   HG21  ILE  10          HG21      ILE  10   2.941  -5.124  -4.187
   89   HG22  ILE  10          HG22      ILE  10   3.515  -4.582  -2.610
   90   HG23  ILE  10          HG23      ILE  10   3.797  -3.589  -4.040
   91   HD11  ILE  10          HD11      ILE  10   2.417  -3.327  -0.591
   92   HD12  ILE  10          HD12      ILE  10   2.972  -1.655  -0.659
   93   HD13  ILE  10          HD13      ILE  10   3.830  -2.907  -1.554
   94    H    CYS  11           HN       CYS  11  -0.934  -4.552  -4.664
   95    HA   CYS  11           HA       CYS  11   0.088  -6.225  -6.862
   96    HB2  CYS  11           HB2      CYS  11  -0.841  -8.201  -5.876
   97    HB3  CYS  11           HB1      CYS  11   0.137  -7.389  -4.658
   98    H    ARG  12           HN       ARG  12  -2.385  -4.270  -5.699
   99    HA   ARG  12           HA       ARG  12  -4.412  -3.646  -6.424
  100    HB2  ARG  12           HB2      ARG  12  -3.171  -4.634  -8.978
  101    HB3  ARG  12           HB1      ARG  12  -4.792  -3.952  -8.946
  102    HG2  ARG  12           HG2      ARG  12  -3.359  -2.183  -9.538
  103    HG3  ARG  12           HG1      ARG  12  -3.791  -1.922  -7.850
  104    HD2  ARG  12           HD2      ARG  12  -1.438  -1.477  -8.196
  105    HD3  ARG  12           HD1      ARG  12  -1.657  -2.877  -7.149
  106    HE   ARG  12           HE       ARG  12  -1.373  -3.991  -9.595
  107   HH11  ARG  12          HH11      ARG  12   0.504  -1.618  -7.825
  108   HH12  ARG  12          HH12      ARG  12   2.010  -2.096  -8.541
  109   HH21  ARG  12          HH21      ARG  12   0.626  -4.627 -10.520
  110   HH22  ARG  12          HH22      ARG  12   2.081  -3.795 -10.068
  111    H    GLY  13           HN       GLY  13  -4.161  -6.266  -5.268
  112    HA2  GLY  13           HA2      GLY  13  -6.015  -7.941  -6.747
  113    HA3  GLY  13           HA1      GLY  13  -5.199  -8.356  -5.249
  114    H    VAL  14           HN       VAL  14  -5.946  -7.076  -3.298
  115    HA   VAL  14           HA       VAL  14  -8.855  -6.670  -3.473
  116    HB   VAL  14           HB       VAL  14  -9.096  -7.470  -1.200
  117   HG11  VAL  14          HG11      VAL  14  -8.504  -9.824  -1.511
  118   HG12  VAL  14          HG12      VAL  14  -7.465  -9.379  -2.863
  119   HG13  VAL  14          HG13      VAL  14  -9.208  -9.129  -2.970
  120   HG21  VAL  14          HG21      VAL  14  -6.982  -6.731  -0.264
  121   HG22  VAL  14          HG22      VAL  14  -6.114  -7.915  -1.241
  122   HG23  VAL  14          HG23      VAL  14  -7.211  -8.456   0.029
  123    H    ASP  15           HN       ASP  15  -9.334  -5.593  -1.020
  124    HA   ASP  15           HA       ASP  15  -8.641  -2.903  -1.375
  125    HB2  ASP  15           HB2      ASP  15  -9.681  -2.551   0.846
  126    HB3  ASP  15           HB1      ASP  15 -10.684  -3.517  -0.229
  127    H    GLY  16           HN       GLY  16  -7.266  -1.553  -0.317
  128    HA2  GLY  16           HA2      GLY  16  -4.950  -2.785   0.950
  129    HA3  GLY  16           HA1      GLY  16  -5.111  -1.095   0.477
  130    H    LYS  17           HN       LYS  17  -6.267  -3.487   2.770
  131    HA   LYS  17           HA       LYS  17  -7.501  -1.684   4.556
  132    HB2  LYS  17           HB2      LYS  17  -7.270  -3.659   6.162
  133    HB3  LYS  17           HB1      LYS  17  -8.199  -3.914   4.692
  134    HG2  LYS  17           HG2      LYS  17  -6.395  -5.088   3.668
  135    HG3  LYS  17           HG1      LYS  17  -5.302  -4.676   4.989
  136    HD2  LYS  17           HD2      LYS  17  -5.889  -6.821   5.552
  137    HD3  LYS  17           HD1      LYS  17  -7.091  -5.895   6.448
  138    HE2  LYS  17           HE2      LYS  17  -7.511  -7.196   3.759
  139    HE3  LYS  17           HE1      LYS  17  -8.083  -7.818   5.303
  140    HZ1  LYS  17           HZ1      LYS  17  -9.364  -5.691   5.515
  141    HZ2  LYS  17           HZ2      LYS  17  -9.890  -6.727   4.292
  142    HZ3  LYS  17           HZ3      LYS  17  -8.976  -5.359   3.895
  143    H    TYR  18           HN       TYR  18  -4.218  -2.702   4.155
  144    HA   TYR  18           HA       TYR  18  -3.450  -1.493   6.719
  145    HB2  TYR  18           HB2      TYR  18  -2.070  -3.413   4.852
  146    HB3  TYR  18           HB1      TYR  18  -1.201  -2.595   6.139
  147    HD1  TYR  18           HD1      TYR  18  -4.658  -3.804   6.532
  148    HD2  TYR  18           HD2      TYR  18  -0.547  -4.613   7.235
  149    HE1  TYR  18           HE1      TYR  18  -5.285  -5.659   8.008
  150    HE2  TYR  18           HE2      TYR  18  -1.161  -6.463   8.730
  151    HH   TYR  18           HH       TYR  18  -4.268  -7.767   8.841
  152    H    LYS  19           HN       LYS  19  -1.587   0.001   6.708
  153    HA   LYS  19           HA       LYS  19  -1.171   1.317   4.115
  154    HB2  LYS  19           HB2      LYS  19  -3.055   2.362   5.503
  155    HB3  LYS  19           HB1      LYS  19  -1.799   2.875   6.617
  156    HG2  LYS  19           HG2      LYS  19  -1.581   3.594   3.731
  157    HG3  LYS  19           HG1      LYS  19  -2.678   4.489   4.775
  158    HD2  LYS  19           HD2      LYS  19  -0.650   4.751   6.332
  159    HD3  LYS  19           HD1      LYS  19   0.303   4.250   4.933
  160    HE2  LYS  19           HE2      LYS  19  -0.489   6.101   3.646
  161    HE3  LYS  19           HE1      LYS  19  -1.650   6.542   4.895
  162    HZ1  LYS  19           HZ1      LYS  19   0.195   7.047   6.375
  163    HZ2  LYS  19           HZ2      LYS  19   0.284   7.971   4.964
  164    HZ3  LYS  19           HZ3      LYS  19   1.306   6.643   5.165
  165    H    CYS  20           HN       CYS  20   0.772   2.414   3.895
  166    HA   CYS  20           HA       CYS  20   2.800   1.704   5.890
  167    HB2  CYS  20           HB2      CYS  20   3.112   1.011   3.509
  168    HB3  CYS  20           HB1      CYS  20   3.179   2.708   3.060
  169    HA   PRO  21           HA       PRO  21   2.422   6.058   7.042
  170    HB2  PRO  21           HB2      PRO  21   3.911   5.861   9.294
  171    HB3  PRO  21           HB1      PRO  21   2.230   5.319   9.214
  172    HG2  PRO  21           HG2      PRO  21   4.750   3.712   8.987
  173    HG3  PRO  21           HG1      PRO  21   3.283   3.360   9.920
  174    HD2  PRO  21           HD2      PRO  21   3.769   2.213   7.528
  175    HD3  PRO  21           HD1      PRO  21   2.128   2.618   8.064
  176    H    LYS  22           HN       LYS  22   4.983   4.385   5.795
  177    HA   LYS  22           HA       LYS  22   6.995   6.424   6.310
  178    HB2  LYS  22           HB2      LYS  22   7.207   3.930   4.620
  179    HB3  LYS  22           HB1      LYS  22   8.533   4.932   5.187
  180    HG2  LYS  22           HG2      LYS  22   6.680   3.391   6.989
  181    HG3  LYS  22           HG1      LYS  22   8.249   2.810   6.437
  182    HD2  LYS  22           HD2      LYS  22   7.803   5.338   8.020
  183    HD3  LYS  22           HD1      LYS  22   8.312   3.796   8.707
  184    HE2  LYS  22           HE2      LYS  22   9.820   5.375   6.625
  185    HE3  LYS  22           HE1      LYS  22  10.203   5.319   8.341
  186    HZ1  LYS  22           HZ1      LYS  22  11.593   3.820   7.041
  187    HZ2  LYS  22           HZ2      LYS  22  10.225   2.978   6.515
  188    HZ3  LYS  22           HZ3      LYS  22  10.646   2.967   8.151
  189    H    CYS  23           HN       CYS  23   5.423   4.915   3.484
  190    HA   CYS  23           HA       CYS  23   6.319   7.195   1.869
  191    HB2  CYS  23           HB2      CYS  23   5.893   5.736  -0.081
  192    HB3  CYS  23           HB1      CYS  23   7.050   5.030   1.037
  193    H    GLY  24           HN       GLY  24   3.499   5.317   2.799
  194    HA2  GLY  24           HA2      GLY  24   1.385   6.465   3.052
  195    HA3  GLY  24           HA1      GLY  24   1.811   7.442   1.655
  196    H    VAL  25           HN       VAL  25   2.559   4.101   1.511
  197    HA   VAL  25           HA       VAL  25   0.676   3.799  -0.666
  198    HB   VAL  25           HB       VAL  25   3.102   2.940  -0.656
  199   HG11  VAL  25          HG11      VAL  25   3.280   1.781   1.367
  200   HG12  VAL  25          HG12      VAL  25   3.230   0.530   0.127
  201   HG13  VAL  25          HG13      VAL  25   1.791   0.877   1.085
  202   HG21  VAL  25          HG21      VAL  25   2.529   1.017  -2.065
  203   HG22  VAL  25          HG22      VAL  25   1.530   2.424  -2.428
  204   HG23  VAL  25          HG23      VAL  25   0.867   1.093  -1.480
  205    H    ARG  26           HN       ARG  26  -0.721   1.943  -0.810
  206    HA   ARG  26           HA       ARG  26  -1.724   1.042   1.805
  207    HB2  ARG  26           HB2      ARG  26  -3.160   1.855  -0.706
  208    HB3  ARG  26           HB1      ARG  26  -3.915   0.748   0.431
  209    HG2  ARG  26           HG2      ARG  26  -2.844   3.414   1.288
  210    HG3  ARG  26           HG1      ARG  26  -4.479   3.214   0.653
  211    HD2  ARG  26           HD2      ARG  26  -4.899   1.509   2.394
  212    HD3  ARG  26           HD1      ARG  26  -3.299   1.829   3.057
  213    HE   ARG  26           HE       ARG  26  -4.452   4.270   3.063
  214   HH11  ARG  26          HH11      ARG  26  -5.532   1.149   4.208
  215   HH12  ARG  26          HH12      ARG  26  -6.420   1.804   5.546
  216   HH21  ARG  26          HH21      ARG  26  -5.590   5.139   4.845
  217   HH22  ARG  26          HH22      ARG  26  -6.454   4.074   5.908
  218    H    TYR  27           HN       TYR  27  -1.439  -1.062   2.125
  219    HA   TYR  27           HA       TYR  27  -1.402  -2.818  -0.231
  220    HB2  TYR  27           HB2      TYR  27  -0.050  -4.310   1.570
  221    HB3  TYR  27           HB1      TYR  27   0.710  -3.284   0.371
  222    HD1  TYR  27           HD1      TYR  27  -0.844  -2.705   3.708
  223    HD2  TYR  27           HD2      TYR  27   2.550  -2.204   1.215
  224    HE1  TYR  27           HE1      TYR  27   0.294  -1.490   5.508
  225    HE2  TYR  27           HE2      TYR  27   3.701  -0.993   3.013
  226    HH   TYR  27           HH       TYR  27   2.476  -0.922   6.228
  227    H    CYS  28           HN       CYS  28  -2.090  -4.968   0.111
  228    HA   CYS  28           HA       CYS  28  -4.608  -4.993   1.426
  229    HB2  CYS  28           HB2      CYS  28  -4.813  -7.245   0.444
  230    HB3  CYS  28           HB1      CYS  28  -4.314  -6.052  -0.744
  231    H    SER  29           HN       SER  29  -1.443  -5.989   2.305
  232    HA   SER  29           HA       SER  29  -2.148  -6.742   4.904
  233    HB2  SER  29           HB2      SER  29  -3.120  -8.721   3.685
  234    HB3  SER  29           HB1      SER  29  -1.498  -9.114   3.128
  235    HG   SER  29           HG       SER  29  -2.495 -10.057   5.225
  236    H    LEU  30           HN       LEU  30  -0.194  -8.408   5.672
  237    HA   LEU  30           HA       LEU  30   2.153  -6.834   5.535
  238    HB2  LEU  30           HB2      LEU  30   1.449  -8.361   7.415
  239    HB3  LEU  30           HB1      LEU  30   1.930  -9.713   6.410
  240    HG   LEU  30           HG       LEU  30   4.250  -8.754   6.365
  241   HD11  LEU  30          HD11      LEU  30   4.823  -7.113   8.091
  242   HD12  LEU  30          HD12      LEU  30   3.114  -6.940   8.486
  243   HD13  LEU  30          HD13      LEU  30   3.708  -6.449   6.900
  244   HD21  LEU  30          HD21      LEU  30   3.630 -10.589   7.855
  245   HD22  LEU  30          HD22      LEU  30   3.112  -9.426   9.075
  246   HD23  LEU  30          HD23      LEU  30   4.811  -9.521   8.612
  247    H    LYS  31           HN       LYS  31   0.870  -9.321   3.576
  248    HA   LYS  31           HA       LYS  31   3.101 -10.541   2.461
  249    HB2  LYS  31           HB2      LYS  31   0.583  -9.765   0.976
  250    HB3  LYS  31           HB1      LYS  31   1.699 -11.055   0.550
  251    HG2  LYS  31           HG2      LYS  31  -0.016 -10.962   3.023
  252    HG3  LYS  31           HG1      LYS  31  -0.342 -11.913   1.574
  253    HD2  LYS  31           HD2      LYS  31   1.722 -13.164   1.921
  254    HD3  LYS  31           HD1      LYS  31   2.077 -12.198   3.355
  255    HE2  LYS  31           HE2      LYS  31   0.004 -13.018   4.392
  256    HE3  LYS  31           HE1      LYS  31  -0.295 -14.018   2.972
  257    HZ1  LYS  31           HZ1      LYS  31   1.731 -15.224   3.420
  258    HZ2  LYS  31           HZ2      LYS  31   0.729 -15.268   4.781
  259    HZ3  LYS  31           HZ3      LYS  31   2.068 -14.238   4.751
  260    H    CYS  32           HN       CYS  32   1.370  -7.675   1.290
  261    HA   CYS  32           HA       CYS  32   3.478  -7.090  -0.600
  262    HB2  CYS  32           HB2      CYS  32   0.873  -5.688   0.030
  263    HB3  CYS  32           HB1      CYS  32   1.994  -5.169  -1.225
  264    H    TYR  33           HN       TYR  33   2.612  -6.228   2.602
  265    HA   TYR  33           HA       TYR  33   3.817  -3.706   2.812
  266    HB2  TYR  33           HB2      TYR  33   2.386  -4.842   4.573
  267    HB3  TYR  33           HB1      TYR  33   3.788  -5.823   4.976
  268    HD1  TYR  33           HD1      TYR  33   5.370  -2.952   4.214
  269    HD2  TYR  33           HD2      TYR  33   2.615  -4.379   7.121
  270    HE1  TYR  33           HE1      TYR  33   6.089  -1.176   5.749
  271    HE2  TYR  33           HE2      TYR  33   3.346  -2.623   8.681
  272    HH   TYR  33           HH       TYR  33   5.252  -1.166   9.066
  273    H    LYS  34           HN       LYS  34   5.161  -6.869   3.805
  274    HA   LYS  34           HA       LYS  34   7.817  -5.735   3.836
  275    HB2  LYS  34           HB2      LYS  34   6.777  -8.486   4.494
  276    HB3  LYS  34           HB1      LYS  34   8.479  -8.047   4.573
  277    HG2  LYS  34           HG2      LYS  34   7.833  -6.224   6.168
  278    HG3  LYS  34           HG1      LYS  34   6.215  -6.926   6.202
  279    HD2  LYS  34           HD2      LYS  34   7.072  -8.998   7.072
  280    HD3  LYS  34           HD1      LYS  34   8.734  -8.441   6.881
  281    HE2  LYS  34           HE2      LYS  34   8.278  -6.649   8.519
  282    HE3  LYS  34           HE1      LYS  34   6.661  -7.308   8.753
  283    HZ1  LYS  34           HZ1      LYS  34   8.117  -8.097  10.470
  284    HZ2  LYS  34           HZ2      LYS  34   9.222  -8.684   9.337
  285    HZ3  LYS  34           HZ3      LYS  34   7.698  -9.395   9.474
  286    H    ASP  35           HN       ASP  35   7.031  -5.433   1.404
  287    HA   ASP  35           HA       ASP  35   8.458  -7.471  -0.157
  288    HB2  ASP  35           HB2      ASP  35   6.137  -7.288  -0.847
  289    HB3  ASP  35           HB1      ASP  35   6.269  -5.540  -0.962
  290    H    ALA  36           HN       ALA  36  10.042  -6.729  -1.589
  291    HA   ALA  36           HA       ALA  36  10.708  -3.870  -1.396
  292    HB1  ALA  36           HB1      ALA  36  13.081  -4.441  -1.291
  293    HB2  ALA  36           HB2      ALA  36  12.672  -6.157  -1.288
  294    HB3  ALA  36           HB3      ALA  36  12.199  -5.135   0.069
  295    H    ALA  37           HN       ALA  37   9.279  -5.440  -3.408
  296    HA   ALA  37           HA       ALA  37  11.092  -4.990  -5.702
  297    HB1  ALA  37           HB1      ALA  37   9.760  -6.697  -6.903
  298    HB2  ALA  37           HB2      ALA  37   8.854  -6.996  -5.417
  299    HB3  ALA  37           HB3      ALA  37  10.580  -7.348  -5.484
  300    H    LYS  38           HN       LYS  38   7.779  -4.910  -4.529
  301    HA   LYS  38           HA       LYS  38   7.093  -2.914  -6.584
  302    HB2  LYS  38           HB2      LYS  38   5.264  -4.631  -4.904
  303    HB3  LYS  38           HB1      LYS  38   4.765  -3.519  -6.171
  304    HG2  LYS  38           HG2      LYS  38   5.788  -4.876  -7.851
  305    HG3  LYS  38           HG1      LYS  38   6.518  -5.919  -6.627
  306    HD2  LYS  38           HD2      LYS  38   4.239  -6.518  -5.864
  307    HD3  LYS  38           HD1      LYS  38   3.579  -5.585  -7.208
  308    HE2  LYS  38           HE2      LYS  38   4.741  -7.025  -8.786
  309    HE3  LYS  38           HE1      LYS  38   5.442  -7.940  -7.456
  310    HZ1  LYS  38           HZ1      LYS  38   2.563  -7.759  -8.148
  311    HZ2  LYS  38           HZ2      LYS  38   3.176  -8.551  -6.786
  312    HZ3  LYS  38           HZ3      LYS  38   3.564  -9.109  -8.331
  313    H    HIS  39           HN       HIS  39   7.119  -3.680  -3.156
  314    HA   HIS  39           HA       HIS  39   6.046  -1.092  -2.417
  315    HB2  HIS  39           HB2      HIS  39   5.686  -3.156  -1.019
  316    HB3  HIS  39           HB1      HIS  39   7.404  -3.136  -0.638
  317    HD1  HIS  39           HD1      HIS  39   7.390  -2.477   1.815
  318    HD2  HIS  39           HD2      HIS  39   4.991  -0.046  -0.546
  319    HE1  HIS  39           HE1      HIS  39   6.643  -0.563   3.294
  320    H    VAL  40           HN       VAL  40   7.421   0.444  -3.241
  321    HA   VAL  40           HA       VAL  40  10.286   0.054  -2.887
  322    HB   VAL  40           HB       VAL  40   8.855   2.143  -4.524
  323   HG11  VAL  40          HG11      VAL  40  11.033   2.507  -5.580
  324   HG12  VAL  40          HG12      VAL  40  11.764   1.356  -4.462
  325   HG13  VAL  40          HG13      VAL  40  11.079   2.862  -3.853
  326   HG21  VAL  40          HG21      VAL  40  10.172  -0.432  -5.381
  327   HG22  VAL  40          HG22      VAL  40   9.504   0.791  -6.462
  328   HG23  VAL  40          HG23      VAL  40   8.439  -0.102  -5.377
  329    H    HIS  41           HN       HIS  41  11.456   1.020  -1.496
  330    HA   HIS  41           HA       HIS  41  10.484   3.520  -0.323
  331    HB2  HIS  41           HB2      HIS  41  11.470   1.066   1.000
  332    HB3  HIS  41           HB1      HIS  41  12.046   2.596   1.664
  333    HD1  HIS  41           HD1      HIS  41  10.186   0.981   3.438
  334    HD2  HIS  41           HD2      HIS  41   8.832   3.718   0.630
  335    HE1  HIS  41           HE1      HIS  41   7.955   1.827   4.280
  336    H    LYS  42           HN       LYS  42  11.708   4.118  -2.315
  337    HA   LYS  42           HA       LYS  42  14.589   4.239  -1.958
  338    HB2  LYS  42           HB2      LYS  42  13.687   3.797  -4.196
  339    HB3  LYS  42           HB1      LYS  42  12.786   5.305  -4.144
  340    HG2  LYS  42           HG2      LYS  42  14.928   6.529  -4.015
  341    HG3  LYS  42           HG1      LYS  42  15.775   4.992  -4.196
  342    HD2  LYS  42           HD2      LYS  42  14.712   4.648  -6.362
  343    HD3  LYS  42           HD1      LYS  42  13.822   6.160  -6.179
  344    HE2  LYS  42           HE2      LYS  42  15.749   6.492  -7.611
  345    HE3  LYS  42           HE1      LYS  42  15.949   7.385  -6.104
  346    HZ1  LYS  42           HZ1      LYS  42  17.989   6.278  -6.692
  347    HZ2  LYS  42           HZ2      LYS  42  17.199   4.780  -6.778
  348    HZ3  LYS  42           HZ3      LYS  42  17.351   5.569  -5.291
  349    H    GLU  43           HN       GLU  43  11.791   6.366  -2.165
  350    HA   GLU  43           HA       GLU  43  11.336   8.448  -1.432
  351    HB2  GLU  43           HB2      GLU  43  12.643   7.400   0.633
  352    HB3  GLU  43           HB1      GLU  43  13.823   8.625   0.202
  353    HG2  GLU  43           HG2      GLU  43  10.927   9.185   0.786
  354    HG3  GLU  43           HG1      GLU  43  12.229   9.318   1.963
  355    H    SER  44           HN       SER  44  14.847   8.829  -1.185
  356    HA   SER  44           HA       SER  44  14.737  10.635  -3.511
  357    HB2  SER  44           HB2      SER  44  15.295  11.744  -1.338
  358    HB3  SER  44           HB1      SER  44  16.695  10.687  -1.189
  359    HG   SER  44           HG       SER  44  16.308  12.919  -2.773
  360    H    GLU  45           HN       GLU  45  17.294  10.803  -4.298
  361    HA   GLU  45           HA       GLU  45  17.890   8.312  -5.464
  362    HB2  GLU  45           HB2      GLU  45  18.677  10.517  -6.336
  363    HB3  GLU  45           HB1      GLU  45  19.804  10.610  -4.989
  364    HG2  GLU  45           HG2      GLU  45  20.915   9.867  -7.010
  365    HG3  GLU  45           HG1      GLU  45  20.927   8.600  -5.783
  366    H    GLN  46           HN       GLN  46  19.387  10.039  -2.775
  367    HA   GLN  46           HA       GLN  46  19.915   7.498  -1.462
  368    HB2  GLN  46           HB2      GLN  46  22.002   9.533  -2.177
  369    HB3  GLN  46           HB1      GLN  46  22.186   8.547  -0.733
  370    HG2  GLN  46           HG2      GLN  46  21.831   7.480  -3.524
  371    HG3  GLN  46           HG1      GLN  46  23.369   7.623  -2.675
  372   HE21  GLN  46          HE21      GLN  46  22.033   5.255  -3.715
  373   HE22  GLN  46          HE22      GLN  46  21.826   4.190  -2.369
  Start of MODEL    2
    1    H1   GLY  -2           HT1      GLY  -2 -12.924  10.621   6.664
    2    H2   GLY  -2           HT2      GLY  -2 -13.056  10.592   4.979
    3    H3   GLY  -2           HT3      GLY  -2 -13.009   9.142   5.848
    4    HA2  GLY  -2           HA1      GLY  -2 -15.117   9.652   6.889
    5    HA3  GLY  -2           HA2      GLY  -2 -15.165  11.170   6.004
    6    HA   PRO  -1           HA       PRO  -1 -16.517   7.400   3.329
    7    HB2  PRO  -1           HB2      PRO  -1 -18.854   6.505   4.336
    8    HB3  PRO  -1           HB1      PRO  -1 -17.293   5.857   4.851
    9    HG2  PRO  -1           HG2      PRO  -1 -19.058   7.851   6.208
   10    HG3  PRO  -1           HG1      PRO  -1 -18.137   6.510   6.911
   11    HD2  PRO  -1           HD2      PRO  -1 -17.305   9.119   6.956
   12    HD3  PRO  -1           HD1      PRO  -1 -16.202   7.730   7.002
   13    H    HIS   0           HN       HIS   0 -16.752   9.452   2.136
   14    HA   HIS   0           HA       HIS   0 -19.553  10.355   1.995
   15    HB2  HIS   0           HB2      HIS   0 -18.746  12.465   1.088
   16    HB3  HIS   0           HB1      HIS   0 -17.956  12.132   2.623
   17    HD1  HIS   0           HD1      HIS   0 -17.275  12.852  -0.913
   18    HD2  HIS   0           HD2      HIS   0 -15.187  11.334   2.344
   19    HE1  HIS   0           HE1      HIS   0 -14.847  12.996  -1.540
   20    HE2  HIS   0           HE2      HIS   0 -13.604  12.254   0.518
   21    H    MET   1           HN       MET   1 -17.732   8.200   0.552
   22    HA   MET   1           HA       MET   1 -18.702   8.862  -2.145
   23    HB2  MET   1           HB2      MET   1 -16.276   7.251  -1.371
   24    HB3  MET   1           HB1      MET   1 -16.888   7.399  -3.011
   25    HG2  MET   1           HG2      MET   1 -16.532   9.834  -2.890
   26    HG3  MET   1           HG1      MET   1 -15.827   9.623  -1.289
   27    HE1  MET   1           HE1      MET   1 -12.687   7.396  -2.138
   28    HE2  MET   1           HE2      MET   1 -14.303   6.840  -1.703
   29    HE3  MET   1           HE3      MET   1 -13.580   8.204  -0.851
   30    H    VAL   2           HN       VAL   2 -18.851   6.730  -3.511
   31    HA   VAL   2           HA       VAL   2 -21.006   5.312  -2.409
   32    HB   VAL   2           HB       VAL   2 -20.827   5.595  -4.799
   33   HG11  VAL   2          HG11      VAL   2 -19.181   4.344  -6.135
   34   HG12  VAL   2          HG12      VAL   2 -18.391   3.828  -4.644
   35   HG13  VAL   2          HG13      VAL   2 -18.427   5.537  -5.078
   36   HG21  VAL   2          HG21      VAL   2 -22.106   3.686  -4.023
   37   HG22  VAL   2          HG22      VAL   2 -20.651   2.688  -4.018
   38   HG23  VAL   2          HG23      VAL   2 -21.294   3.301  -5.540
   39    H    SER   3           HN       SER   3 -17.604   4.390  -2.792
   40    HA   SER   3           HA       SER   3 -18.184   1.870  -1.398
   41    HB2  SER   3           HB2      SER   3 -15.711   2.693  -2.941
   42    HB3  SER   3           HB1      SER   3 -16.007   1.106  -2.232
   43    HG   SER   3           HG       SER   3 -18.068   1.365  -3.640
   44    H    SER   4           HN       SER   4 -15.961   4.647  -1.358
   45    HA   SER   4           HA       SER   4 -14.581   5.479   0.248
   46    HB2  SER   4           HB2      SER   4 -16.517   4.150   2.166
   47    HB3  SER   4           HB1      SER   4 -15.406   5.468   2.543
   48    HG   SER   4           HG       SER   4 -17.835   5.506   1.208
   49    H    ALA   5           HN       ALA   5 -13.655   3.232  -0.899
   50    HA   ALA   5           HA       ALA   5 -12.089   2.035   1.235
   51    HB1  ALA   5           HB1      ALA   5 -12.472  -0.246   0.463
   52    HB2  ALA   5           HB2      ALA   5 -13.616   0.340  -0.743
   53    HB3  ALA   5           HB3      ALA   5 -13.989   0.494   0.973
   54    H    VAL   6           HN       VAL   6 -10.171   1.174   0.589
   55    HA   VAL   6           HA       VAL   6  -9.294   2.223  -2.009
   56    HB   VAL   6           HB       VAL   6  -8.506   3.303   0.181
   57   HG11  VAL   6          HG11      VAL   6  -6.568   2.258   1.257
   58   HG12  VAL   6          HG12      VAL   6  -6.817   0.812   0.276
   59   HG13  VAL   6          HG13      VAL   6  -8.039   1.305   1.448
   60   HG21  VAL   6          HG21      VAL   6  -6.475   2.343  -1.808
   61   HG22  VAL   6          HG22      VAL   6  -6.287   3.710  -0.711
   62   HG23  VAL   6          HG23      VAL   6  -7.520   3.751  -1.969
   63    H    LYS   7           HN       LYS   7  -7.639   1.009  -3.118
   64    HA   LYS   7           HA       LYS   7  -7.768  -1.853  -2.464
   65    HB2  LYS   7           HB2      LYS   7  -7.035  -0.546  -5.093
   66    HB3  LYS   7           HB1      LYS   7  -7.222  -2.270  -4.799
   67    HG2  LYS   7           HG2      LYS   7  -9.442  -0.270  -4.511
   68    HG3  LYS   7           HG1      LYS   7  -9.141  -1.229  -5.962
   69    HD2  LYS   7           HD2      LYS   7  -9.380  -3.284  -4.587
   70    HD3  LYS   7           HD1      LYS   7  -9.816  -2.268  -3.211
   71    HE2  LYS   7           HE2      LYS   7 -11.745  -1.429  -4.399
   72    HE3  LYS   7           HE1      LYS   7 -11.281  -2.331  -5.840
   73    HZ1  LYS   7           HZ1      LYS   7 -12.051  -3.519  -3.229
   74    HZ2  LYS   7           HZ2      LYS   7 -11.601  -4.387  -4.607
   75    HZ3  LYS   7           HZ3      LYS   7 -13.019  -3.467  -4.613
   76    H    CYS   8           HN       CYS   8  -5.829  -3.135  -2.864
   77    HA   CYS   8           HA       CYS   8  -3.528  -2.008  -1.663
   78    HB2  CYS   8           HB2      CYS   8  -4.147  -4.437  -1.650
   79    HB3  CYS   8           HB1      CYS   8  -3.703  -4.514  -3.344
   80    H    GLY   9           HN       GLY   9  -2.261  -0.534  -2.618
   81    HA2  GLY   9           HA2      GLY   9  -2.268  -0.148  -5.449
   82    HA3  GLY   9           HA1      GLY   9  -1.275   0.709  -4.284
   83    H    ILE  10           HN       ILE  10  -0.757  -2.489  -3.716
   84    HA   ILE  10           HA       ILE  10   1.754  -2.341  -5.206
   85    HB   ILE  10           HB       ILE  10   1.006  -4.150  -2.907
   86   HG12  ILE  10          HG12      ILE  10   2.464  -1.512  -3.044
   87   HG13  ILE  10          HG11      ILE  10   1.044  -1.920  -2.091
   88   HG21  ILE  10          HG21      ILE  10   3.410  -4.613  -2.772
   89   HG22  ILE  10          HG22      ILE  10   3.678  -3.612  -4.199
   90   HG23  ILE  10          HG23      ILE  10   2.744  -5.101  -4.331
   91   HD11  ILE  10          HD11      ILE  10   2.352  -3.296  -0.638
   92   HD12  ILE  10          HD12      ILE  10   3.111  -1.709  -0.767
   93   HD13  ILE  10          HD13      ILE  10   3.772  -3.083  -1.652
   94    H    CYS  11           HN       CYS  11  -1.017  -4.473  -4.646
   95    HA   CYS  11           HA       CYS  11  -0.055  -6.094  -6.909
   96    HB2  CYS  11           HB2      CYS  11  -0.957  -8.078  -5.927
   97    HB3  CYS  11           HB1      CYS  11   0.030  -7.277  -4.710
   98    H    ARG  12           HN       ARG  12  -2.494  -4.161  -5.664
   99    HA   ARG  12           HA       ARG  12  -4.521  -3.498  -6.346
  100    HB2  ARG  12           HB2      ARG  12  -3.297  -4.420  -8.928
  101    HB3  ARG  12           HB1      ARG  12  -4.914  -3.731  -8.880
  102    HG2  ARG  12           HG2      ARG  12  -3.471  -1.952  -9.414
  103    HG3  ARG  12           HG1      ARG  12  -3.902  -1.740  -7.720
  104    HD2  ARG  12           HD2      ARG  12  -1.561  -1.296  -7.989
  105    HD3  ARG  12           HD1      ARG  12  -1.765  -2.788  -7.077
  106    HE   ARG  12           HE       ARG  12  -1.466  -3.721  -9.563
  107   HH11  ARG  12          HH11      ARG  12   0.371  -1.341  -7.748
  108   HH12  ARG  12          HH12      ARG  12   1.855  -1.672  -8.585
  109   HH21  ARG  12          HH21      ARG  12   0.496  -4.154 -10.654
  110   HH22  ARG  12          HH22      ARG  12   1.924  -3.256 -10.240
  111    H    GLY  13           HN       GLY  13  -4.266  -6.208  -5.318
  112    HA2  GLY  13           HA2      GLY  13  -6.183  -7.772  -6.839
  113    HA3  GLY  13           HA1      GLY  13  -5.346  -8.279  -5.380
  114    H    VAL  14           HN       VAL  14  -6.022  -7.023  -3.364
  115    HA   VAL  14           HA       VAL  14  -8.940  -6.631  -3.444
  116    HB   VAL  14           HB       VAL  14  -9.135  -7.545  -1.223
  117   HG11  VAL  14          HG11      VAL  14  -9.224  -9.149  -3.032
  118   HG12  VAL  14          HG12      VAL  14  -8.463  -9.869  -1.612
  119   HG13  VAL  14          HG13      VAL  14  -7.472  -9.344  -2.970
  120   HG21  VAL  14          HG21      VAL  14  -6.145  -7.897  -1.286
  121   HG22  VAL  14          HG22      VAL  14  -7.218  -8.528  -0.040
  122   HG23  VAL  14          HG23      VAL  14  -7.048  -6.787  -0.260
  123    H    ASP  15           HN       ASP  15  -9.357  -5.683  -0.933
  124    HA   ASP  15           HA       ASP  15  -8.728  -2.968  -1.191
  125    HB2  ASP  15           HB2      ASP  15  -9.815  -2.667   0.954
  126    HB3  ASP  15           HB1      ASP  15 -10.730  -3.818  -0.010
  127    H    GLY  16           HN       GLY  16  -7.331  -1.635  -0.151
  128    HA2  GLY  16           HA2      GLY  16  -4.956  -2.910   0.982
  129    HA3  GLY  16           HA1      GLY  16  -5.091  -1.236   0.455
  130    H    LYS  17           HN       LYS  17  -6.312  -3.481   2.894
  131    HA   LYS  17           HA       LYS  17  -7.356  -1.500   4.605
  132    HB2  LYS  17           HB2      LYS  17  -7.231  -3.382   6.332
  133    HB3  LYS  17           HB1      LYS  17  -8.243  -3.619   4.913
  134    HG2  LYS  17           HG2      LYS  17  -6.813  -5.171   3.984
  135    HG3  LYS  17           HG1      LYS  17  -5.422  -4.602   4.910
  136    HD2  LYS  17           HD2      LYS  17  -6.230  -6.760   5.745
  137    HD3  LYS  17           HD1      LYS  17  -6.419  -5.488   6.953
  138    HE2  LYS  17           HE2      LYS  17  -8.777  -5.247   6.293
  139    HE3  LYS  17           HE1      LYS  17  -8.578  -6.580   5.158
  140    HZ1  LYS  17           HZ1      LYS  17  -8.236  -6.750   8.102
  141    HZ2  LYS  17           HZ2      LYS  17  -8.055  -8.031   7.015
  142    HZ3  LYS  17           HZ3      LYS  17  -9.569  -7.313   7.229
  143    H    TYR  18           HN       TYR  18  -4.145  -2.676   4.188
  144    HA   TYR  18           HA       TYR  18  -3.293  -1.393   6.686
  145    HB2  TYR  18           HB2      TYR  18  -2.098  -3.485   4.909
  146    HB3  TYR  18           HB1      TYR  18  -1.041  -2.524   5.936
  147    HD1  TYR  18           HD1      TYR  18  -4.217  -4.451   6.215
  148    HD2  TYR  18           HD2      TYR  18  -0.502  -3.433   7.993
  149    HE1  TYR  18           HE1      TYR  18  -4.695  -5.995   8.055
  150    HE2  TYR  18           HE2      TYR  18  -0.964  -4.974   9.854
  151    HH   TYR  18           HH       TYR  18  -3.064  -5.971  10.940
  152    H    LYS  19           HN       LYS  19  -1.522   0.124   6.630
  153    HA   LYS  19           HA       LYS  19  -1.114   1.397   4.015
  154    HB2  LYS  19           HB2      LYS  19  -3.035   2.437   5.324
  155    HB3  LYS  19           HB1      LYS  19  -1.840   2.949   6.501
  156    HG2  LYS  19           HG2      LYS  19  -1.560   3.718   3.625
  157    HG3  LYS  19           HG1      LYS  19  -2.632   4.608   4.696
  158    HD2  LYS  19           HD2      LYS  19  -0.607   4.805   6.252
  159    HD3  LYS  19           HD1      LYS  19   0.342   4.290   4.853
  160    HE2  LYS  19           HE2      LYS  19  -0.470   6.181   3.575
  161    HE3  LYS  19           HE1      LYS  19  -1.502   6.676   4.915
  162    HZ1  LYS  19           HZ1      LYS  19   1.469   6.560   5.000
  163    HZ2  LYS  19           HZ2      LYS  19   0.457   7.088   6.249
  164    HZ3  LYS  19           HZ3      LYS  19   0.553   7.967   4.809
  165    H    CYS  20           HN       CYS  20   0.821   2.504   3.790
  166    HA   CYS  20           HA       CYS  20   2.824   1.889   5.847
  167    HB2  CYS  20           HB2      CYS  20   3.135   1.142   3.453
  168    HB3  CYS  20           HB1      CYS  20   3.308   2.836   3.011
  169    HA   PRO  21           HA       PRO  21   2.260   6.226   6.946
  170    HB2  PRO  21           HB2      PRO  21   3.991   6.173   9.063
  171    HB3  PRO  21           HB1      PRO  21   2.314   5.620   9.145
  172    HG2  PRO  21           HG2      PRO  21   4.821   4.021   8.783
  173    HG3  PRO  21           HG1      PRO  21   3.418   3.682   9.814
  174    HD2  PRO  21           HD2      PRO  21   3.753   2.454   7.452
  175    HD3  PRO  21           HD1      PRO  21   2.143   2.910   8.041
  176    H    LYS  22           HN       LYS  22   5.111   4.671   5.895
  177    HA   LYS  22           HA       LYS  22   6.805   7.000   6.081
  178    HB2  LYS  22           HB2      LYS  22   7.205   4.380   4.639
  179    HB3  LYS  22           HB1      LYS  22   8.427   5.628   4.823
  180    HG2  LYS  22           HG2      LYS  22   7.105   4.305   7.157
  181    HG3  LYS  22           HG1      LYS  22   8.562   3.661   6.396
  182    HD2  LYS  22           HD2      LYS  22   9.599   5.943   6.765
  183    HD3  LYS  22           HD1      LYS  22   8.209   6.307   7.789
  184    HE2  LYS  22           HE2      LYS  22   8.769   4.570   9.310
  185    HE3  LYS  22           HE1      LYS  22   9.977   3.910   8.211
  186    HZ1  LYS  22           HZ1      LYS  22  10.116   6.487   9.670
  187    HZ2  LYS  22           HZ2      LYS  22  11.225   6.014   8.481
  188    HZ3  LYS  22           HZ3      LYS  22  11.084   5.121   9.915
  189    H    CYS  23           HN       CYS  23   5.645   5.050   3.340
  190    HA   CYS  23           HA       CYS  23   6.289   7.266   1.564
  191    HB2  CYS  23           HB2      CYS  23   5.890   5.637  -0.255
  192    HB3  CYS  23           HB1      CYS  23   7.093   5.076   0.898
  193    H    GLY  24           HN       GLY  24   3.553   5.450   2.738
  194    HA2  GLY  24           HA2      GLY  24   1.433   6.500   2.970
  195    HA3  GLY  24           HA1      GLY  24   1.794   7.485   1.556
  196    H    VAL  25           HN       VAL  25   2.615   4.168   1.416
  197    HA   VAL  25           HA       VAL  25   0.734   3.804  -0.742
  198    HB   VAL  25           HB       VAL  25   3.183   2.995  -0.688
  199   HG11  VAL  25          HG11      VAL  25   3.376   0.607   0.084
  200   HG12  VAL  25          HG12      VAL  25   1.876   0.864   0.982
  201   HG13  VAL  25          HG13      VAL  25   3.307   1.830   1.348
  202   HG21  VAL  25          HG21      VAL  25   0.984   1.135  -1.576
  203   HG22  VAL  25          HG22      VAL  25   2.660   1.070  -2.120
  204   HG23  VAL  25          HG23      VAL  25   1.664   2.475  -2.500
  205    H    ARG  26           HN       ARG  26  -0.630   1.954  -0.880
  206    HA   ARG  26           HA       ARG  26  -1.678   1.049   1.713
  207    HB2  ARG  26           HB2      ARG  26  -3.039   1.646  -0.907
  208    HB3  ARG  26           HB1      ARG  26  -3.788   0.590   0.279
  209    HG2  ARG  26           HG2      ARG  26  -2.923   3.403   0.872
  210    HG3  ARG  26           HG1      ARG  26  -4.547   2.967   0.336
  211    HD2  ARG  26           HD2      ARG  26  -4.650   1.392   2.294
  212    HD3  ARG  26           HD1      ARG  26  -3.145   2.113   2.861
  213    HE   ARG  26           HE       ARG  26  -4.637   4.284   2.616
  214   HH11  ARG  26          HH11      ARG  26  -5.503   1.151   3.925
  215   HH12  ARG  26          HH12      ARG  26  -6.631   1.801   5.072
  216   HH21  ARG  26          HH21      ARG  26  -6.142   5.140   4.109
  217   HH22  ARG  26          HH22      ARG  26  -7.010   4.071   5.167
  218    H    TYR  27           HN       TYR  27  -1.575  -1.083   2.094
  219    HA   TYR  27           HA       TYR  27  -1.404  -2.879  -0.219
  220    HB2  TYR  27           HB2      TYR  27   0.004  -4.309   1.598
  221    HB3  TYR  27           HB1      TYR  27   0.726  -3.304   0.358
  222    HD1  TYR  27           HD1      TYR  27  -0.765  -2.681   3.719
  223    HD2  TYR  27           HD2      TYR  27   2.556  -2.152   1.132
  224    HE1  TYR  27           HE1      TYR  27   0.383  -1.387   5.459
  225    HE2  TYR  27           HE2      TYR  27   3.717  -0.868   2.874
  226    HH   TYR  27           HH       TYR  27   2.571  -0.753   6.113
  227    H    CYS  28           HN       CYS  28  -2.171  -4.941   0.069
  228    HA   CYS  28           HA       CYS  28  -4.594  -5.017   1.519
  229    HB2  CYS  28           HB2      CYS  28  -4.851  -7.256   0.516
  230    HB3  CYS  28           HB1      CYS  28  -4.394  -6.050  -0.676
  231    H    SER  29           HN       SER  29  -1.380  -6.053   2.236
  232    HA   SER  29           HA       SER  29  -1.989  -6.785   4.875
  233    HB2  SER  29           HB2      SER  29  -1.596  -9.228   4.740
  234    HB3  SER  29           HB1      SER  29  -3.037  -8.751   3.846
  235    HG   SER  29           HG       SER  29  -2.103  -9.816   2.284
  236    H    LEU  30           HN       LEU  30  -0.044  -8.508   5.567
  237    HA   LEU  30           HA       LEU  30   2.350  -7.048   5.302
  238    HB2  LEU  30           HB2      LEU  30   1.682  -9.758   6.371
  239    HB3  LEU  30           HB1      LEU  30   3.353  -9.257   6.222
  240    HG   LEU  30           HG       LEU  30   1.251  -7.813   7.846
  241   HD11  LEU  30          HD11      LEU  30   3.533  -9.574   8.727
  242   HD12  LEU  30          HD12      LEU  30   1.823 -10.003   8.778
  243   HD13  LEU  30          HD13      LEU  30   2.434  -8.688   9.781
  244   HD21  LEU  30          HD21      LEU  30   3.138  -6.550   8.739
  245   HD22  LEU  30          HD22      LEU  30   3.017  -6.336   6.995
  246   HD23  LEU  30          HD23      LEU  30   4.239  -7.413   7.666
  247    H    LYS  31           HN       LYS  31   0.890  -9.413   3.305
  248    HA   LYS  31           HA       LYS  31   3.136 -10.652   2.179
  249    HB2  LYS  31           HB2      LYS  31   0.547  -9.998   0.758
  250    HB3  LYS  31           HB1      LYS  31   1.690 -11.262   0.329
  251    HG2  LYS  31           HG2      LYS  31   0.077 -11.168   2.869
  252    HG3  LYS  31           HG1      LYS  31  -0.307 -12.138   1.448
  253    HD2  LYS  31           HD2      LYS  31   1.765 -13.382   1.714
  254    HD3  LYS  31           HD1      LYS  31   2.214 -12.372   3.091
  255    HE2  LYS  31           HE2      LYS  31   0.263 -13.168   4.321
  256    HE3  LYS  31           HE1      LYS  31  -0.215 -14.156   2.943
  257    HZ1  LYS  31           HZ1      LYS  31   1.809 -15.436   3.196
  258    HZ2  LYS  31           HZ2      LYS  31   0.926 -15.452   4.635
  259    HZ3  LYS  31           HZ3      LYS  31   2.293 -14.472   4.497
  260    H    CYS  32           HN       CYS  32   1.411  -7.708   1.280
  261    HA   CYS  32           HA       CYS  32   3.418  -7.094  -0.741
  262    HB2  CYS  32           HB2      CYS  32   0.827  -5.728   0.009
  263    HB3  CYS  32           HB1      CYS  32   1.913  -5.158  -1.254
  264    H    TYR  33           HN       TYR  33   2.527  -6.240   2.484
  265    HA   TYR  33           HA       TYR  33   3.768  -3.744   2.754
  266    HB2  TYR  33           HB2      TYR  33   2.312  -4.979   4.466
  267    HB3  TYR  33           HB1      TYR  33   3.756  -5.892   4.891
  268    HD1  TYR  33           HD1      TYR  33   5.287  -3.023   4.223
  269    HD2  TYR  33           HD2      TYR  33   2.378  -4.452   6.967
  270    HE1  TYR  33           HE1      TYR  33   5.898  -1.228   5.791
  271    HE2  TYR  33           HE2      TYR  33   2.998  -2.686   8.559
  272    HH   TYR  33           HH       TYR  33   4.941  -1.234   9.038
  273    H    LYS  34           HN       LYS  34   5.070  -6.960   3.556
  274    HA   LYS  34           HA       LYS  34   7.742  -5.833   3.723
  275    HB2  LYS  34           HB2      LYS  34   6.744  -8.625   4.294
  276    HB3  LYS  34           HB1      LYS  34   8.385  -8.058   4.574
  277    HG2  LYS  34           HG2      LYS  34   7.427  -6.331   6.113
  278    HG3  LYS  34           HG1      LYS  34   5.871  -7.144   5.947
  279    HD2  LYS  34           HD2      LYS  34   8.409  -8.429   6.946
  280    HD3  LYS  34           HD1      LYS  34   7.108  -7.828   7.970
  281    HE2  LYS  34           HE2      LYS  34   5.563  -9.417   6.917
  282    HE3  LYS  34           HE1      LYS  34   6.881 -10.025   5.916
  283    HZ1  LYS  34           HZ1      LYS  34   6.747 -10.144   8.880
  284    HZ2  LYS  34           HZ2      LYS  34   8.044 -10.683   7.942
  285    HZ3  LYS  34           HZ3      LYS  34   6.539 -11.445   7.822
  286    H    ASP  35           HN       ASP  35   6.762  -5.703   1.194
  287    HA   ASP  35           HA       ASP  35   8.334  -7.728  -0.236
  288    HB2  ASP  35           HB2      ASP  35   6.015  -7.581  -1.016
  289    HB3  ASP  35           HB1      ASP  35   6.182  -5.844  -1.244
  290    H    ALA  36           HN       ALA  36  10.008  -7.032  -1.555
  291    HA   ALA  36           HA       ALA  36  10.687  -4.175  -1.312
  292    HB1  ALA  36           HB1      ALA  36  12.131  -5.581   0.085
  293    HB2  ALA  36           HB2      ALA  36  13.036  -4.795  -1.209
  294    HB3  ALA  36           HB3      ALA  36  12.607  -6.499  -1.342
  295    H    ALA  37           HN       ALA  37   9.299  -5.785  -3.431
  296    HA   ALA  37           HA       ALA  37  11.146  -5.241  -5.663
  297    HB1  ALA  37           HB1      ALA  37  10.455  -7.566  -5.548
  298    HB2  ALA  37           HB2      ALA  37   9.747  -6.796  -6.968
  299    HB3  ALA  37           HB3      ALA  37   8.760  -7.082  -5.534
  300    H    LYS  38           HN       LYS  38   7.819  -5.006  -4.560
  301    HA   LYS  38           HA       LYS  38   7.280  -2.929  -6.570
  302    HB2  LYS  38           HB2      LYS  38   5.357  -4.492  -4.846
  303    HB3  LYS  38           HB1      LYS  38   4.923  -3.375  -6.134
  304    HG2  LYS  38           HG2      LYS  38   5.820  -4.819  -7.797
  305    HG3  LYS  38           HG1      LYS  38   6.557  -5.860  -6.578
  306    HD2  LYS  38           HD2      LYS  38   4.300  -6.412  -5.749
  307    HD3  LYS  38           HD1      LYS  38   3.609  -5.457  -7.061
  308    HE2  LYS  38           HE2      LYS  38   4.653  -6.916  -8.700
  309    HE3  LYS  38           HE1      LYS  38   5.419  -7.842  -7.415
  310    HZ1  LYS  38           HZ1      LYS  38   2.493  -7.599  -7.824
  311    HZ2  LYS  38           HZ2      LYS  38   3.254  -8.533  -6.644
  312    HZ3  LYS  38           HZ3      LYS  38   3.428  -8.928  -8.276
  313    H    HIS  39           HN       HIS  39   7.321  -3.658  -3.149
  314    HA   HIS  39           HA       HIS  39   6.549  -0.918  -2.472
  315    HB2  HIS  39           HB2      HIS  39   5.575  -2.860  -1.203
  316    HB3  HIS  39           HB1      HIS  39   7.190  -3.221  -0.608
  317    HD1  HIS  39           HD1      HIS  39   7.136  -2.552   1.818
  318    HD2  HIS  39           HD2      HIS  39   5.361   0.262  -0.667
  319    HE1  HIS  39           HE1      HIS  39   6.598  -0.550   3.272
  320    H    VAL  40           HN       VAL  40   8.281   0.406  -2.849
  321    HA   VAL  40           HA       VAL  40  10.789  -0.336  -1.508
  322    HB   VAL  40           HB       VAL  40  10.653   1.146  -4.138
  323   HG11  VAL  40          HG11      VAL  40  12.994  -0.028  -2.640
  324   HG12  VAL  40          HG12      VAL  40  12.610   1.687  -2.786
  325   HG13  VAL  40          HG13      VAL  40  13.067   0.760  -4.216
  326   HG21  VAL  40          HG21      VAL  40  11.512  -0.892  -5.183
  327   HG22  VAL  40          HG22      VAL  40   9.932  -1.167  -4.450
  328   HG23  VAL  40          HG23      VAL  40  11.390  -1.737  -3.640
  329    H    HIS  41           HN       HIS  41  11.999   1.269  -0.609
  330    HA   HIS  41           HA       HIS  41  10.503   3.744  -0.144
  331    HB2  HIS  41           HB2      HIS  41  11.930   1.894   1.673
  332    HB3  HIS  41           HB1      HIS  41  12.083   3.616   2.022
  333    HD1  HIS  41           HD1      HIS  41  10.474   1.685   3.909
  334    HD2  HIS  41           HD2      HIS  41   8.845   3.968   0.870
  335    HE1  HIS  41           HE1      HIS  41   8.087   2.198   4.594
  336    H    LYS  42           HN       LYS  42  11.846   5.596   0.535
  337    HA   LYS  42           HA       LYS  42  14.457   5.623  -0.820
  338    HB2  LYS  42           HB2      LYS  42  12.521   6.626  -2.166
  339    HB3  LYS  42           HB1      LYS  42  12.476   7.898  -0.956
  340    HG2  LYS  42           HG2      LYS  42  14.777   8.498  -1.495
  341    HG3  LYS  42           HG1      LYS  42  14.828   7.215  -2.708
  342    HD2  LYS  42           HD2      LYS  42  13.018   8.304  -3.938
  343    HD3  LYS  42           HD1      LYS  42  12.951   9.578  -2.721
  344    HE2  LYS  42           HE2      LYS  42  15.314   8.935  -4.477
  345    HE3  LYS  42           HE1      LYS  42  14.199  10.281  -4.708
  346    HZ1  LYS  42           HZ1      LYS  42  14.898  11.147  -2.544
  347    HZ2  LYS  42           HZ2      LYS  42  16.196  11.021  -3.617
  348    HZ3  LYS  42           HZ3      LYS  42  16.007   9.879  -2.385
  349    H    GLU  43           HN       GLU  43  13.237   5.603   2.011
  350    HA   GLU  43           HA       GLU  43  14.030   8.047   3.239
  351    HB2  GLU  43           HB2      GLU  43  12.325   6.546   4.205
  352    HB3  GLU  43           HB1      GLU  43  13.550   5.313   4.449
  353    HG2  GLU  43           HG2      GLU  43  14.690   6.708   6.055
  354    HG3  GLU  43           HG1      GLU  43  13.558   8.026   5.752
  355    H    SER  44           HN       SER  44  16.052   8.693   3.484
  356    HA   SER  44           HA       SER  44  18.242   6.894   3.049
  357    HB2  SER  44           HB2      SER  44  18.199   9.830   3.773
  358    HB3  SER  44           HB1      SER  44  19.641   8.921   3.318
  359    HG   SER  44           HG       SER  44  17.654   9.960   1.748
  360    H    GLU  45           HN       GLU  45  17.941   5.475   4.836
  361    HA   GLU  45           HA       GLU  45  18.275   6.368   7.522
  362    HB2  GLU  45           HB2      GLU  45  18.713   3.611   6.357
  363    HB3  GLU  45           HB1      GLU  45  18.513   3.997   8.062
  364    HG2  GLU  45           HG2      GLU  45  16.241   4.811   7.585
  365    HG3  GLU  45           HG1      GLU  45  16.450   4.346   5.899
  366    H    GLN  46           HN       GLN  46  20.395   5.457   4.939
  367    HA   GLN  46           HA       GLN  46  22.701   5.982   6.688
  368    HB2  GLN  46           HB2      GLN  46  22.718   3.651   6.018
  369    HB3  GLN  46           HB1      GLN  46  22.498   4.096   4.332
  370    HG2  GLN  46           HG2      GLN  46  24.797   3.434   4.816
  371    HG3  GLN  46           HG1      GLN  46  24.695   5.107   4.280
  372   HE21  GLN  46          HE21      GLN  46  26.668   5.607   5.205
  373   HE22  GLN  46          HE22      GLN  46  26.871   5.772   6.915
  Start of MODEL    3
    1    H1   GLY  -2           HT1      GLY  -2  -9.800  -0.346  10.057
    2    H2   GLY  -2           HT2      GLY  -2  -8.283   0.397   9.984
    3    H3   GLY  -2           HT3      GLY  -2  -8.405  -1.286   9.876
    4    HA2  GLY  -2           HA1      GLY  -2  -7.998  -0.363   7.702
    5    HA3  GLY  -2           HA2      GLY  -2  -9.595  -1.093   7.783
    6    HA   PRO  -1           HA       PRO  -1 -10.170   3.167   6.132
    7    HB2  PRO  -1           HB2      PRO  -1 -11.957   2.034   4.174
    8    HB3  PRO  -1           HB1      PRO  -1 -10.382   2.782   3.917
    9    HG2  PRO  -1           HG2      PRO  -1 -10.888   0.120   3.530
   10    HG3  PRO  -1           HG1      PRO  -1  -9.290   0.778   3.919
   11    HD2  PRO  -1           HD2      PRO  -1 -11.292  -0.533   5.722
   12    HD3  PRO  -1           HD1      PRO  -1  -9.524  -0.714   5.678
   13    H    HIS   0           HN       HIS   0 -11.816   1.409   8.105
   14    HA   HIS   0           HA       HIS   0 -13.622   1.768   9.411
   15    HB2  HIS   0           HB2      HIS   0 -14.020   4.211   7.685
   16    HB3  HIS   0           HB1      HIS   0 -15.043   3.812   9.061
   17    HD1  HIS   0           HD1      HIS   0 -12.207   5.790   8.223
   18    HD2  HIS   0           HD2      HIS   0 -13.326   3.544  11.536
   19    HE1  HIS   0           HE1      HIS   0 -10.821   6.662  10.126
   20    HE2  HIS   0           HE2      HIS   0 -11.638   5.405  12.148
   21    H    MET   1           HN       MET   1 -14.833   2.839   6.224
   22    HA   MET   1           HA       MET   1 -16.783   0.639   6.341
   23    HB2  MET   1           HB2      MET   1 -17.832   2.726   7.151
   24    HB3  MET   1           HB1      MET   1 -17.408   3.510   5.637
   25    HG2  MET   1           HG2      MET   1 -18.856   1.998   4.418
   26    HG3  MET   1           HG1      MET   1 -19.241   1.139   5.908
   27    HE1  MET   1           HE1      MET   1 -18.767   5.007   5.531
   28    HE2  MET   1           HE2      MET   1 -20.407   5.538   5.158
   29    HE3  MET   1           HE3      MET   1 -19.510   4.561   3.997
   30    H    VAL   2           HN       VAL   2 -17.427  -0.194   4.350
   31    HA   VAL   2           HA       VAL   2 -15.558   0.239   2.206
   32    HB   VAL   2           HB       VAL   2 -18.019  -1.516   2.165
   33   HG11  VAL   2          HG11      VAL   2 -15.477  -1.589   0.544
   34   HG12  VAL   2          HG12      VAL   2 -17.061  -1.075  -0.031
   35   HG13  VAL   2          HG13      VAL   2 -16.796  -2.754   0.439
   36   HG21  VAL   2          HG21      VAL   2 -15.210  -2.222   3.008
   37   HG22  VAL   2          HG22      VAL   2 -16.546  -3.358   2.820
   38   HG23  VAL   2          HG23      VAL   2 -16.615  -2.114   4.068
   39    H    SER   3           HN       SER   3 -16.291   2.541   2.140
   40    HA   SER   3           HA       SER   3 -18.032   2.797  -0.185
   41    HB2  SER   3           HB2      SER   3 -19.420   3.314   1.857
   42    HB3  SER   3           HB1      SER   3 -18.301   4.626   2.218
   43    HG   SER   3           HG       SER   3 -19.891   5.580   1.079
   44    H    SER   4           HN       SER   4 -16.608   3.533  -1.621
   45    HA   SER   4           HA       SER   4 -14.818   4.549  -2.559
   46    HB2  SER   4           HB2      SER   4 -15.235   6.596  -0.362
   47    HB3  SER   4           HB1      SER   4 -14.181   6.810  -1.759
   48    HG   SER   4           HG       SER   4 -17.000   6.603  -1.678
   49    H    ALA   5           HN       ALA   5 -14.115   2.455  -1.317
   50    HA   ALA   5           HA       ALA   5 -12.119   2.954   0.731
   51    HB1  ALA   5           HB1      ALA   5 -13.071   0.367  -0.518
   52    HB2  ALA   5           HB2      ALA   5 -13.619   1.032   1.020
   53    HB3  ALA   5           HB3      ALA   5 -11.947   0.504   0.834
   54    H    VAL   6           HN       VAL   6 -10.209   1.196   0.234
   55    HA   VAL   6           HA       VAL   6  -9.142   2.159  -2.313
   56    HB   VAL   6           HB       VAL   6  -8.432   3.399  -0.182
   57   HG11  VAL   6          HG11      VAL   6  -6.699   0.959   0.116
   58   HG12  VAL   6          HG12      VAL   6  -7.994   1.456   1.207
   59   HG13  VAL   6          HG13      VAL   6  -6.552   2.459   1.034
   60   HG21  VAL   6          HG21      VAL   6  -7.431   3.718  -2.329
   61   HG22  VAL   6          HG22      VAL   6  -6.388   2.315  -2.087
   62   HG23  VAL   6          HG23      VAL   6  -6.196   3.745  -1.071
   63    H    LYS   7           HN       LYS   7  -7.725   0.826  -3.365
   64    HA   LYS   7           HA       LYS   7  -7.740  -1.956  -2.450
   65    HB2  LYS   7           HB2      LYS   7  -7.165  -0.825  -5.197
   66    HB3  LYS   7           HB1      LYS   7  -7.239  -2.529  -4.778
   67    HG2  LYS   7           HG2      LYS   7  -9.554  -0.651  -4.510
   68    HG3  LYS   7           HG1      LYS   7  -9.264  -1.700  -5.902
   69    HD2  LYS   7           HD2      LYS   7  -9.262  -3.646  -4.358
   70    HD3  LYS   7           HD1      LYS   7  -9.715  -2.555  -3.048
   71    HE2  LYS   7           HE2      LYS   7 -11.696  -3.575  -3.842
   72    HE3  LYS   7           HE1      LYS   7 -11.698  -1.904  -4.393
   73    HZ1  LYS   7           HZ1      LYS   7 -10.980  -2.641  -6.568
   74    HZ2  LYS   7           HZ2      LYS   7 -12.405  -3.439  -6.133
   75    HZ3  LYS   7           HZ3      LYS   7 -10.923  -4.247  -6.041
   76    H    CYS   8           HN       CYS   8  -5.807  -3.230  -2.754
   77    HA   CYS   8           HA       CYS   8  -3.525  -2.056  -1.630
   78    HB2  CYS   8           HB2      CYS   8  -4.110  -4.482  -1.583
   79    HB3  CYS   8           HB1      CYS   8  -3.677  -4.586  -3.276
   80    H    GLY   9           HN       GLY   9  -2.201  -0.632  -2.556
   81    HA2  GLY   9           HA2      GLY   9  -2.178  -0.238  -5.399
   82    HA3  GLY   9           HA1      GLY   9  -1.232   0.646  -4.211
   83    H    ILE  10           HN       ILE  10  -0.756  -2.610  -3.709
   84    HA   ILE  10           HA       ILE  10   1.793  -2.436  -5.146
   85    HB   ILE  10           HB       ILE  10   1.084  -4.262  -2.851
   86   HG12  ILE  10          HG12      ILE  10   2.467  -1.578  -2.945
   87   HG13  ILE  10          HG11      ILE  10   1.028  -2.018  -2.035
   88   HG21  ILE  10          HG21      ILE  10   2.869  -5.120  -4.285
   89   HG22  ILE  10          HG22      ILE  10   3.501  -4.635  -2.711
   90   HG23  ILE  10          HG23      ILE  10   3.743  -3.596  -4.116
   91   HD11  ILE  10          HD11      ILE  10   3.789  -3.074  -1.519
   92   HD12  ILE  10          HD12      ILE  10   2.343  -3.406  -0.569
   93   HD13  ILE  10          HD13      ILE  10   3.007  -1.774  -0.625
   94    H    CYS  11           HN       CYS  11  -0.981  -4.570  -4.576
   95    HA   CYS  11           HA       CYS  11  -0.001  -6.187  -6.832
   96    HB2  CYS  11           HB2      CYS  11  -1.008  -8.157  -5.890
   97    HB3  CYS  11           HB1      CYS  11   0.014  -7.405  -4.671
   98    H    ARG  12           HN       ARG  12  -2.499  -4.252  -5.628
   99    HA   ARG  12           HA       ARG  12  -4.540  -3.637  -6.349
  100    HB2  ARG  12           HB2      ARG  12  -3.419  -4.678  -8.953
  101    HB3  ARG  12           HB1      ARG  12  -4.959  -3.839  -8.832
  102    HG2  ARG  12           HG2      ARG  12  -2.313  -2.678  -7.984
  103    HG3  ARG  12           HG1      ARG  12  -3.093  -2.383  -9.540
  104    HD2  ARG  12           HD2      ARG  12  -4.940  -1.308  -8.499
  105    HD3  ARG  12           HD1      ARG  12  -4.409  -1.806  -6.896
  106    HE   ARG  12           HE       ARG  12  -2.399  -0.253  -8.092
  107   HH11  ARG  12          HH11      ARG  12  -5.634   0.087  -6.813
  108   HH12  ARG  12          HH12      ARG  12  -5.386   1.714  -6.270
  109   HH21  ARG  12          HH21      ARG  12  -2.073   1.895  -7.403
  110   HH22  ARG  12          HH22      ARG  12  -3.369   2.754  -6.629
  111    H    GLY  13           HN       GLY  13  -4.200  -6.282  -5.220
  112    HA2  GLY  13           HA2      GLY  13  -6.030  -7.992  -6.691
  113    HA3  GLY  13           HA1      GLY  13  -5.195  -8.392  -5.196
  114    H    VAL  14           HN       VAL  14  -5.954  -7.095  -3.255
  115    HA   VAL  14           HA       VAL  14  -8.866  -6.737  -3.395
  116    HB   VAL  14           HB       VAL  14  -9.083  -7.575  -1.126
  117   HG11  VAL  14          HG11      VAL  14  -9.229  -9.202  -2.927
  118   HG12  VAL  14          HG12      VAL  14  -8.506  -9.926  -1.488
  119   HG13  VAL  14          HG13      VAL  14  -7.485  -9.460  -2.849
  120   HG21  VAL  14          HG21      VAL  14  -6.105  -8.036  -1.223
  121   HG22  VAL  14          HG22      VAL  14  -7.185  -8.591   0.055
  122   HG23  VAL  14          HG23      VAL  14  -6.952  -6.864  -0.213
  123    H    ASP  15           HN       ASP  15  -9.414  -5.668  -1.013
  124    HA   ASP  15           HA       ASP  15  -8.759  -2.996  -1.163
  125    HB2  ASP  15           HB2      ASP  15  -9.632  -2.827   1.142
  126    HB3  ASP  15           HB1      ASP  15 -10.668  -3.799   0.103
  127    H    GLY  16           HN       GLY  16  -7.345  -1.652  -0.147
  128    HA2  GLY  16           HA2      GLY  16  -4.946  -2.866   0.996
  129    HA3  GLY  16           HA1      GLY  16  -5.144  -1.178   0.532
  130    H    LYS  17           HN       LYS  17  -6.277  -3.580   2.838
  131    HA   LYS  17           HA       LYS  17  -7.572  -1.853   4.598
  132    HB2  LYS  17           HB2      LYS  17  -7.126  -3.765   6.268
  133    HB3  LYS  17           HB1      LYS  17  -8.130  -4.073   4.859
  134    HG2  LYS  17           HG2      LYS  17  -6.379  -5.203   3.746
  135    HG3  LYS  17           HG1      LYS  17  -5.193  -4.683   4.941
  136    HD2  LYS  17           HD2      LYS  17  -5.790  -6.988   5.330
  137    HD3  LYS  17           HD1      LYS  17  -6.384  -5.979   6.650
  138    HE2  LYS  17           HE2      LYS  17  -8.023  -7.683   5.904
  139    HE3  LYS  17           HE1      LYS  17  -8.618  -6.032   5.760
  140    HZ1  LYS  17           HZ1      LYS  17  -8.323  -6.068   3.434
  141    HZ2  LYS  17           HZ2      LYS  17  -9.061  -7.545   3.819
  142    HZ3  LYS  17           HZ3      LYS  17  -7.408  -7.493   3.488
  143    H    TYR  18           HN       TYR  18  -4.175  -2.505   4.272
  144    HA   TYR  18           HA       TYR  18  -3.731  -0.976   6.739
  145    HB2  TYR  18           HB2      TYR  18  -2.172  -3.217   5.524
  146    HB3  TYR  18           HB1      TYR  18  -1.358  -2.034   6.540
  147    HD1  TYR  18           HD1      TYR  18  -4.230  -4.350   6.506
  148    HD2  TYR  18           HD2      TYR  18  -1.397  -2.260   8.864
  149    HE1  TYR  18           HE1      TYR  18  -5.018  -5.553   8.486
  150    HE2  TYR  18           HE2      TYR  18  -2.176  -3.453  10.871
  151    HH   TYR  18           HH       TYR  18  -4.176  -4.628  11.657
  152    H    LYS  19           HN       LYS  19  -1.834   0.439   6.740
  153    HA   LYS  19           HA       LYS  19  -1.245   1.522   4.075
  154    HB2  LYS  19           HB2      LYS  19  -3.143   2.707   5.365
  155    HB3  LYS  19           HB1      LYS  19  -1.881   3.282   6.439
  156    HG2  LYS  19           HG2      LYS  19  -1.707   3.767   3.493
  157    HG3  LYS  19           HG1      LYS  19  -2.701   4.789   4.519
  158    HD2  LYS  19           HD2      LYS  19  -0.445   4.845   5.942
  159    HD3  LYS  19           HD1      LYS  19   0.242   4.560   4.341
  160    HE2  LYS  19           HE2      LYS  19  -1.514   6.845   5.216
  161    HE3  LYS  19           HE1      LYS  19   0.166   6.920   4.697
  162    HZ1  LYS  19           HZ1      LYS  19  -0.600   6.162   2.475
  163    HZ2  LYS  19           HZ2      LYS  19  -1.223   7.666   2.926
  164    HZ3  LYS  19           HZ3      LYS  19  -2.198   6.292   3.014
  165    H    CYS  20           HN       CYS  20   0.748   2.530   3.871
  166    HA   CYS  20           HA       CYS  20   2.660   1.877   5.995
  167    HB2  CYS  20           HB2      CYS  20   3.117   1.070   3.684
  168    HB3  CYS  20           HB1      CYS  20   3.212   2.743   3.149
  169    HA   PRO  21           HA       PRO  21   2.261   6.242   7.008
  170    HB2  PRO  21           HB2      PRO  21   3.929   6.154   9.173
  171    HB3  PRO  21           HB1      PRO  21   2.230   5.667   9.223
  172    HG2  PRO  21           HG2      PRO  21   4.682   3.967   8.949
  173    HG3  PRO  21           HG1      PRO  21   3.243   3.701   9.950
  174    HD2  PRO  21           HD2      PRO  21   3.592   2.423   7.610
  175    HD3  PRO  21           HD1      PRO  21   1.985   2.936   8.161
  176    H    LYS  22           HN       LYS  22   5.039   4.496   6.084
  177    HA   LYS  22           HA       LYS  22   6.882   6.699   6.329
  178    HB2  LYS  22           HB2      LYS  22   7.254   4.068   4.896
  179    HB3  LYS  22           HB1      LYS  22   8.521   5.197   5.361
  180    HG2  LYS  22           HG2      LYS  22   6.729   3.712   7.269
  181    HG3  LYS  22           HG1      LYS  22   8.387   3.263   6.861
  182    HD2  LYS  22           HD2      LYS  22   9.210   5.345   7.787
  183    HD3  LYS  22           HD1      LYS  22   7.562   5.884   8.105
  184    HE2  LYS  22           HE2      LYS  22   7.247   4.119   9.715
  185    HE3  LYS  22           HE1      LYS  22   8.825   3.437   9.325
  186    HZ1  LYS  22           HZ1      LYS  22   8.411   6.148  10.459
  187    HZ2  LYS  22           HZ2      LYS  22   9.895   5.366  10.209
  188    HZ3  LYS  22           HZ3      LYS  22   8.812   4.782  11.372
  189    H    CYS  23           HN       CYS  23   5.679   4.825   3.523
  190    HA   CYS  23           HA       CYS  23   6.479   7.057   1.813
  191    HB2  CYS  23           HB2      CYS  23   6.083   5.510  -0.076
  192    HB3  CYS  23           HB1      CYS  23   7.253   4.877   1.073
  193    H    GLY  24           HN       GLY  24   3.673   5.266   2.867
  194    HA2  GLY  24           HA2      GLY  24   1.588   6.465   3.065
  195    HA3  GLY  24           HA1      GLY  24   1.985   7.292   1.565
  196    H    VAL  25           HN       VAL  25   2.831   4.031   1.433
  197    HA   VAL  25           HA       VAL  25   0.939   3.664  -0.682
  198    HB   VAL  25           HB       VAL  25   3.350   2.778  -0.560
  199   HG11  VAL  25          HG11      VAL  25   1.945   0.635   1.026
  200   HG12  VAL  25          HG12      VAL  25   3.316   1.630   1.527
  201   HG13  VAL  25          HG13      VAL  25   3.520   0.432   0.252
  202   HG21  VAL  25          HG21      VAL  25   1.127   0.966  -1.486
  203   HG22  VAL  25          HG22      VAL  25   2.811   0.872  -2.000
  204   HG23  VAL  25          HG23      VAL  25   1.846   2.293  -2.398
  205    H    ARG  26           HN       ARG  26  -0.515   1.901  -0.875
  206    HA   ARG  26           HA       ARG  26  -1.681   1.016   1.673
  207    HB2  ARG  26           HB2      ARG  26  -2.893   1.677  -0.995
  208    HB3  ARG  26           HB1      ARG  26  -3.724   0.593   0.110
  209    HG2  ARG  26           HG2      ARG  26  -2.845   3.365   0.860
  210    HG3  ARG  26           HG1      ARG  26  -4.444   2.981   0.214
  211    HD2  ARG  26           HD2      ARG  26  -4.796   1.416   2.076
  212    HD3  ARG  26           HD1      ARG  26  -3.221   1.855   2.729
  213    HE   ARG  26           HE       ARG  26  -4.435   4.236   2.591
  214   HH11  ARG  26          HH11      ARG  26  -5.572   1.154   3.798
  215   HH12  ARG  26          HH12      ARG  26  -6.519   1.859   5.074
  216   HH21  ARG  26          HH21      ARG  26  -5.696   5.176   4.263
  217   HH22  ARG  26          HH22      ARG  26  -6.602   4.148   5.330
  218    H    TYR  27           HN       TYR  27  -1.647  -1.097   2.098
  219    HA   TYR  27           HA       TYR  27  -1.389  -2.945  -0.163
  220    HB2  TYR  27           HB2      TYR  27  -0.063  -4.350   1.719
  221    HB3  TYR  27           HB1      TYR  27   0.721  -3.343   0.518
  222    HD1  TYR  27           HD1      TYR  27  -0.969  -2.619   3.779
  223    HD2  TYR  27           HD2      TYR  27   2.543  -2.295   1.409
  224    HE1  TYR  27           HE1      TYR  27   0.123  -1.323   5.562
  225    HE2  TYR  27           HE2      TYR  27   3.640  -1.016   3.196
  226    HH   TYR  27           HH       TYR  27   2.301  -0.782   6.349
  227    H    CYS  28           HN       CYS  28  -2.066  -5.071   0.223
  228    HA   CYS  28           HA       CYS  28  -4.597  -5.086   1.541
  229    HB2  CYS  28           HB2      CYS  28  -4.830  -7.326   0.524
  230    HB3  CYS  28           HB1      CYS  28  -4.360  -6.110  -0.651
  231    H    SER  29           HN       SER  29  -1.438  -6.030   2.411
  232    HA   SER  29           HA       SER  29  -2.057  -6.731   5.015
  233    HB2  SER  29           HB2      SER  29  -3.135  -8.720   3.818
  234    HB3  SER  29           HB1      SER  29  -1.507  -9.220   3.376
  235    HG   SER  29           HG       SER  29  -1.694 -10.236   5.233
  236    H    LEU  30           HN       LEU  30  -0.119  -8.451   5.765
  237    HA   LEU  30           HA       LEU  30   2.272  -6.982   5.473
  238    HB2  LEU  30           HB2      LEU  30   1.642  -8.480   7.397
  239    HB3  LEU  30           HB1      LEU  30   2.010  -9.849   6.370
  240    HG   LEU  30           HG       LEU  30   4.357  -8.939   6.165
  241   HD11  LEU  30          HD11      LEU  30   3.917  -6.645   6.810
  242   HD12  LEU  30          HD12      LEU  30   5.085  -7.377   7.908
  243   HD13  LEU  30          HD13      LEU  30   3.408  -7.173   8.413
  244   HD21  LEU  30          HD21      LEU  30   5.040  -9.770   8.372
  245   HD22  LEU  30          HD22      LEU  30   3.840 -10.815   7.614
  246   HD23  LEU  30          HD23      LEU  30   3.360  -9.712   8.904
  247    H    LYS  31           HN       LYS  31   0.816  -9.418   3.579
  248    HA   LYS  31           HA       LYS  31   2.945 -10.694   2.345
  249    HB2  LYS  31           HB2      LYS  31   0.347  -9.853   1.049
  250    HB3  LYS  31           HB1      LYS  31   1.422 -11.125   0.485
  251    HG2  LYS  31           HG2      LYS  31  -0.054 -11.138   3.110
  252    HG3  LYS  31           HG1      LYS  31  -0.549 -12.002   1.653
  253    HD2  LYS  31           HD2      LYS  31   1.550 -13.278   1.718
  254    HD3  LYS  31           HD1      LYS  31   2.015 -12.426   3.191
  255    HE2  LYS  31           HE2      LYS  31   1.089 -14.632   3.688
  256    HE3  LYS  31           HE1      LYS  31   0.087 -13.348   4.354
  257    HZ1  LYS  31           HZ1      LYS  31  -1.219 -15.104   3.302
  258    HZ2  LYS  31           HZ2      LYS  31  -0.461 -14.800   1.823
  259    HZ3  LYS  31           HZ3      LYS  31  -1.445 -13.617   2.528
  260    H    CYS  32           HN       CYS  32   1.340  -7.675   1.374
  261    HA   CYS  32           HA       CYS  32   3.417  -7.201  -0.615
  262    HB2  CYS  32           HB2      CYS  32   0.847  -5.733   0.002
  263    HB3  CYS  32           HB1      CYS  32   1.987  -5.247  -1.248
  264    H    TYR  33           HN       TYR  33   2.564  -6.316   2.564
  265    HA   TYR  33           HA       TYR  33   3.724  -3.801   2.861
  266    HB2  TYR  33           HB2      TYR  33   2.375  -5.173   4.548
  267    HB3  TYR  33           HB1      TYR  33   3.873  -6.014   4.909
  268    HD1  TYR  33           HD1      TYR  33   5.239  -3.023   4.366
  269    HD2  TYR  33           HD2      TYR  33   2.436  -4.766   7.047
  270    HE1  TYR  33           HE1      TYR  33   5.755  -1.281   6.034
  271    HE2  TYR  33           HE2      TYR  33   2.958  -3.053   8.723
  272    HH   TYR  33           HH       TYR  33   4.802  -0.254   7.987
  273    H    LYS  34           HN       LYS  34   5.209  -6.939   3.678
  274    HA   LYS  34           HA       LYS  34   7.836  -5.733   3.625
  275    HB2  LYS  34           HB2      LYS  34   6.916  -8.540   4.233
  276    HB3  LYS  34           HB1      LYS  34   8.597  -8.027   4.280
  277    HG2  LYS  34           HG2      LYS  34   7.937  -6.312   5.972
  278    HG3  LYS  34           HG1      LYS  34   6.341  -7.061   6.010
  279    HD2  LYS  34           HD2      LYS  34   7.210  -9.102   6.837
  280    HD3  LYS  34           HD1      LYS  34   8.872  -8.613   6.505
  281    HE2  LYS  34           HE2      LYS  34   7.044  -7.320   8.527
  282    HE3  LYS  34           HE1      LYS  34   8.303  -8.496   8.900
  283    HZ1  LYS  34           HZ1      LYS  34   9.935  -6.941   7.974
  284    HZ2  LYS  34           HZ2      LYS  34   9.106  -6.276   9.285
  285    HZ3  LYS  34           HZ3      LYS  34   8.711  -5.805   7.713
  286    H    ASP  35           HN       ASP  35   6.919  -5.422   1.188
  287    HA   ASP  35           HA       ASP  35   8.267  -7.472  -0.419
  288    HB2  ASP  35           HB2      ASP  35   5.951  -7.116  -1.093
  289    HB3  ASP  35           HB1      ASP  35   6.221  -5.381  -1.206
  290    H    ALA  36           HN       ALA  36   9.887  -6.839  -1.816
  291    HA   ALA  36           HA       ALA  36  10.736  -4.027  -1.666
  292    HB1  ALA  36           HB1      ALA  36  13.064  -4.740  -1.540
  293    HB2  ALA  36           HB2      ALA  36  12.557  -6.429  -1.525
  294    HB3  ALA  36           HB3      ALA  36  12.139  -5.371  -0.178
  295    H    ALA  37           HN       ALA  37   9.216  -5.569  -3.661
  296    HA   ALA  37           HA       ALA  37  11.070  -5.330  -5.949
  297    HB1  ALA  37           HB1      ALA  37   9.613  -6.900  -7.139
  298    HB2  ALA  37           HB2      ALA  37   8.580  -7.023  -5.716
  299    HB3  ALA  37           HB3      ALA  37  10.241  -7.611  -5.653
  300    H    LYS  38           HN       LYS  38   7.789  -4.793  -4.784
  301    HA   LYS  38           HA       LYS  38   7.456  -2.689  -6.816
  302    HB2  LYS  38           HB2      LYS  38   5.408  -4.322  -5.326
  303    HB3  LYS  38           HB1      LYS  38   5.005  -2.913  -6.298
  304    HG2  LYS  38           HG2      LYS  38   5.947  -4.019  -8.272
  305    HG3  LYS  38           HG1      LYS  38   6.309  -5.441  -7.289
  306    HD2  LYS  38           HD2      LYS  38   3.967  -5.766  -6.830
  307    HD3  LYS  38           HD1      LYS  38   3.555  -4.277  -7.678
  308    HE2  LYS  38           HE2      LYS  38   4.771  -6.750  -8.904
  309    HE3  LYS  38           HE1      LYS  38   3.100  -6.217  -9.073
  310    HZ1  LYS  38           HZ1      LYS  38   5.511  -4.797 -10.061
  311    HZ2  LYS  38           HZ2      LYS  38   3.935  -4.187 -10.146
  312    HZ3  LYS  38           HZ3      LYS  38   4.347  -5.584 -11.005
  313    H    HIS  39           HN       HIS  39   7.201  -3.503  -3.390
  314    HA   HIS  39           HA       HIS  39   6.420  -0.818  -2.662
  315    HB2  HIS  39           HB2      HIS  39   5.726  -2.808  -1.330
  316    HB3  HIS  39           HB1      HIS  39   7.409  -3.068  -0.891
  317    HD1  HIS  39           HD1      HIS  39   6.838  -2.711   1.646
  318    HD2  HIS  39           HD2      HIS  39   6.039   0.556  -0.799
  319    HE1  HIS  39           HE1      HIS  39   6.465  -0.740   3.181
  320    H    VAL  40           HN       VAL  40   7.863   0.748  -2.964
  321    HA   VAL  40           HA       VAL  40  10.696   0.150  -2.474
  322    HB   VAL  40           HB       VAL  40   9.555   2.382  -4.158
  323   HG11  VAL  40          HG11      VAL  40  11.765   2.883  -3.283
  324   HG12  VAL  40          HG12      VAL  40  11.844   2.580  -5.020
  325   HG13  VAL  40          HG13      VAL  40  12.370   1.339  -3.883
  326   HG21  VAL  40          HG21      VAL  40  10.245   1.060  -6.098
  327   HG22  VAL  40          HG22      VAL  40   9.026   0.217  -5.142
  328   HG23  VAL  40          HG23      VAL  40  10.720  -0.259  -5.029
  329    H    HIS  41           HN       HIS  41  11.902   1.329  -1.164
  330    HA   HIS  41           HA       HIS  41  10.687   3.641   0.144
  331    HB2  HIS  41           HB2      HIS  41  11.627   1.143   1.391
  332    HB3  HIS  41           HB1      HIS  41  12.159   2.626   2.178
  333    HD1  HIS  41           HD1      HIS  41  10.306   1.033   3.862
  334    HD2  HIS  41           HD2      HIS  41   8.925   3.663   0.972
  335    HE1  HIS  41           HE1      HIS  41   8.060   1.876   4.677
  336    H    LYS  42           HN       LYS  42  11.837   5.313  -0.354
  337    HA   LYS  42           HA       LYS  42  14.757   5.166  -0.021
  338    HB2  LYS  42           HB2      LYS  42  13.188   6.866  -1.973
  339    HB3  LYS  42           HB1      LYS  42  14.909   7.040  -1.668
  340    HG2  LYS  42           HG2      LYS  42  15.244   4.725  -2.432
  341    HG3  LYS  42           HG1      LYS  42  13.527   4.632  -2.822
  342    HD2  LYS  42           HD2      LYS  42  13.800   6.487  -4.400
  343    HD3  LYS  42           HD1      LYS  42  15.520   6.557  -4.014
  344    HE2  LYS  42           HE2      LYS  42  14.056   4.230  -5.252
  345    HE3  LYS  42           HE1      LYS  42  15.156   5.332  -6.081
  346    HZ1  LYS  42           HZ1      LYS  42  16.944   4.555  -4.631
  347    HZ2  LYS  42           HZ2      LYS  42  16.272   3.281  -5.517
  348    HZ3  LYS  42           HZ3      LYS  42  15.884   3.470  -3.882
  349    H    GLU  43           HN       GLU  43  15.702   6.838   1.122
  350    HA   GLU  43           HA       GLU  43  15.856   8.361   2.798
  351    HB2  GLU  43           HB2      GLU  43  13.333   9.496   1.565
  352    HB3  GLU  43           HB1      GLU  43  14.360  10.319   2.729
  353    HG2  GLU  43           HG2      GLU  43  15.197   9.454  -0.028
  354    HG3  GLU  43           HG1      GLU  43  14.736  11.090   0.439
  355    H    SER  44           HN       SER  44  14.053   9.582   4.443
  356    HA   SER  44           HA       SER  44  12.687   9.328   6.225
  357    HB2  SER  44           HB2      SER  44  11.488   7.012   4.690
  358    HB3  SER  44           HB1      SER  44  10.747   7.870   6.042
  359    HG   SER  44           HG       SER  44  11.495   9.624   4.149
  360    H    GLU  45           HN       GLU  45  13.038   5.914   5.273
  361    HA   GLU  45           HA       GLU  45  13.894   5.284   7.993
  362    HB2  GLU  45           HB2      GLU  45  12.967   3.599   5.674
  363    HB3  GLU  45           HB1      GLU  45  13.660   2.895   7.130
  364    HG2  GLU  45           HG2      GLU  45  11.192   4.611   6.989
  365    HG3  GLU  45           HG1      GLU  45  11.241   2.861   7.223
  366    H    GLN  46           HN       GLN  46  15.127   5.696   4.847
  367    HA   GLN  46           HA       GLN  46  17.620   4.313   5.534
  368    HB2  GLN  46           HB2      GLN  46  16.622   5.359   2.876
  369    HB3  GLN  46           HB1      GLN  46  18.170   4.563   3.127
  370    HG2  GLN  46           HG2      GLN  46  16.989   2.535   3.852
  371    HG3  GLN  46           HG1      GLN  46  15.452   3.338   3.528
  372   HE21  GLN  46          HE21      GLN  46  16.624   0.926   2.353
  373   HE22  GLN  46          HE22      GLN  46  16.674   1.208   0.649
  Start of MODEL    4
    1    H1   GLY  -2           HT1      GLY  -2 -20.421   0.952  -6.206
    2    H2   GLY  -2           HT2      GLY  -2 -21.577   1.104  -7.427
    3    H3   GLY  -2           HT3      GLY  -2 -21.366   2.351  -6.307
    4    HA2  GLY  -2           HA1      GLY  -2 -20.346   2.952  -8.391
    5    HA3  GLY  -2           HA2      GLY  -2 -19.131   2.751  -7.136
    6    HA   PRO  -1           HA       PRO  -1 -19.009  -0.823 -10.533
    7    HB2  PRO  -1           HB2      PRO  -1 -18.861   1.056 -12.807
    8    HB3  PRO  -1           HB1      PRO  -1 -19.748  -0.464 -12.659
    9    HG2  PRO  -1           HG2      PRO  -1 -21.012   1.896 -12.639
   10    HG3  PRO  -1           HG1      PRO  -1 -21.563   0.538 -11.642
   11    HD2  PRO  -1           HD2      PRO  -1 -20.003   2.965 -10.848
   12    HD3  PRO  -1           HD1      PRO  -1 -21.317   2.139  -9.988
   13    H    HIS   0           HN       HIS   0 -17.559   2.386 -10.725
   14    HA   HIS   0           HA       HIS   0 -14.944   1.111 -11.206
   15    HB2  HIS   0           HB2      HIS   0 -15.837   3.907 -11.954
   16    HB3  HIS   0           HB1      HIS   0 -14.213   3.271 -12.182
   17    HD1  HIS   0           HD1      HIS   0 -16.539   4.202 -14.352
   18    HD2  HIS   0           HD2      HIS   0 -15.033   0.409 -13.576
   19    HE1  HIS   0           HE1      HIS   0 -16.995   2.858 -16.425
   20    HE2  HIS   0           HE2      HIS   0 -16.204   0.531 -15.877
   21    H    MET   1           HN       MET   1 -15.761   1.041  -8.710
   22    HA   MET   1           HA       MET   1 -15.172   1.488  -6.578
   23    HB2  MET   1           HB2      MET   1 -13.066   3.183  -7.920
   24    HB3  MET   1           HB1      MET   1 -13.164   2.974  -6.177
   25    HG2  MET   1           HG2      MET   1 -12.853   0.580  -6.428
   26    HG3  MET   1           HG1      MET   1 -12.808   0.755  -8.180
   27    HE1  MET   1           HE1      MET   1  -9.573   2.456  -5.351
   28    HE2  MET   1           HE2      MET   1 -11.002   1.585  -4.795
   29    HE3  MET   1           HE3      MET   1 -11.169   3.184  -5.518
   30    H    VAL   2           HN       VAL   2 -15.010   3.322  -4.933
   31    HA   VAL   2           HA       VAL   2 -16.812   5.497  -5.780
   32    HB   VAL   2           HB       VAL   2 -17.806   5.457  -3.524
   33   HG11  VAL   2          HG11      VAL   2 -18.906   4.248  -5.319
   34   HG12  VAL   2          HG12      VAL   2 -19.103   3.387  -3.792
   35   HG13  VAL   2          HG13      VAL   2 -17.931   2.819  -4.981
   36   HG21  VAL   2          HG21      VAL   2 -17.400   3.545  -2.039
   37   HG22  VAL   2          HG22      VAL   2 -15.941   4.503  -2.287
   38   HG23  VAL   2          HG23      VAL   2 -16.142   2.971  -3.134
   39    H    SER   3           HN       SER   3 -13.781   5.008  -5.120
   40    HA   SER   3           HA       SER   3 -12.041   6.334  -4.557
   41    HB2  SER   3           HB2      SER   3 -14.095   8.455  -3.908
   42    HB3  SER   3           HB1      SER   3 -12.365   8.709  -4.139
   43    HG   SER   3           HG       SER   3 -13.124   7.461  -6.285
   44    H    SER   4           HN       SER   4 -14.687   6.088  -2.282
   45    HA   SER   4           HA       SER   4 -13.289   6.967   0.012
   46    HB2  SER   4           HB2      SER   4 -15.647   5.082  -0.147
   47    HB3  SER   4           HB1      SER   4 -15.139   6.009   1.264
   48    HG   SER   4           HG       SER   4 -15.382   7.745  -0.682
   49    H    ALA   5           HN       ALA   5 -13.570   3.832  -1.543
   50    HA   ALA   5           HA       ALA   5 -11.989   2.611   0.605
   51    HB1  ALA   5           HB1      ALA   5 -13.437   1.329  -1.715
   52    HB2  ALA   5           HB2      ALA   5 -13.967   1.342  -0.034
   53    HB3  ALA   5           HB3      ALA   5 -12.509   0.460  -0.494
   54    H    VAL   6           HN       VAL   6 -10.213   1.238   0.006
   55    HA   VAL   6           HA       VAL   6  -8.813   2.328  -2.325
   56    HB   VAL   6           HB       VAL   6  -8.210   3.384  -0.082
   57   HG11  VAL   6          HG11      VAL   6  -6.828   0.737   0.310
   58   HG12  VAL   6          HG12      VAL   6  -8.143   1.389   1.288
   59   HG13  VAL   6          HG13      VAL   6  -6.567   2.184   1.285
   60   HG21  VAL   6          HG21      VAL   6  -6.914   3.590  -2.119
   61   HG22  VAL   6          HG22      VAL   6  -6.023   2.126  -1.704
   62   HG23  VAL   6          HG23      VAL   6  -5.891   3.561  -0.687
   63    H    LYS   7           HN       LYS   7  -7.360   0.958  -3.323
   64    HA   LYS   7           HA       LYS   7  -7.631  -1.873  -2.580
   65    HB2  LYS   7           HB2      LYS   7  -6.756  -0.660  -5.207
   66    HB3  LYS   7           HB1      LYS   7  -6.985  -2.368  -4.884
   67    HG2  LYS   7           HG2      LYS   7  -9.214  -0.383  -4.623
   68    HG3  LYS   7           HG1      LYS   7  -8.816  -1.159  -6.155
   69    HD2  LYS   7           HD2      LYS   7  -9.471  -2.637  -3.614
   70    HD3  LYS   7           HD1      LYS   7 -10.637  -2.291  -4.890
   71    HE2  LYS   7           HE2      LYS   7  -9.104  -3.510  -6.471
   72    HE3  LYS   7           HE1      LYS   7  -8.163  -4.004  -5.066
   73    HZ1  LYS   7           HZ1      LYS   7  -9.648  -5.754  -5.578
   74    HZ2  LYS   7           HZ2      LYS   7 -10.973  -4.708  -5.688
   75    HZ3  LYS   7           HZ3      LYS   7 -10.260  -5.004  -4.187
   76    H    CYS   8           HN       CYS   8  -5.735  -3.234  -2.781
   77    HA   CYS   8           HA       CYS   8  -3.396  -2.164  -1.643
   78    HB2  CYS   8           HB2      CYS   8  -4.072  -4.555  -1.549
   79    HB3  CYS   8           HB1      CYS   8  -3.709  -4.703  -3.258
   80    H    GLY   9           HN       GLY   9  -1.995  -0.818  -2.605
   81    HA2  GLY   9           HA2      GLY   9  -2.043  -0.468  -5.465
   82    HA3  GLY   9           HA1      GLY   9  -1.054   0.421  -4.316
   83    H    ILE  10           HN       ILE  10  -0.747  -2.907  -3.880
   84    HA   ILE  10           HA       ILE  10   1.828  -2.806  -5.282
   85    HB   ILE  10           HB       ILE  10   1.055  -4.489  -2.895
   86   HG12  ILE  10          HG12      ILE  10   2.643  -1.935  -3.180
   87   HG13  ILE  10          HG11      ILE  10   1.181  -2.191  -2.237
   88   HG21  ILE  10          HG21      ILE  10   3.736  -4.095  -4.216
   89   HG22  ILE  10          HG22      ILE  10   2.748  -5.551  -4.318
   90   HG23  ILE  10          HG23      ILE  10   3.424  -5.051  -2.767
   91   HD11  ILE  10          HD11      ILE  10   3.851  -3.435  -1.662
   92   HD12  ILE  10          HD12      ILE  10   2.388  -3.586  -0.689
   93   HD13  ILE  10          HD13      ILE  10   3.182  -2.021  -0.853
   94    H    CYS  11           HN       CYS  11  -0.797  -5.060  -4.399
   95    HA   CYS  11           HA       CYS  11  -0.016  -6.658  -6.740
   96    HB2  CYS  11           HB2      CYS  11  -1.002  -8.579  -5.712
   97    HB3  CYS  11           HB1      CYS  11   0.011  -7.792  -4.505
   98    H    ARG  12           HN       ARG  12  -2.319  -4.594  -5.465
   99    HA   ARG  12           HA       ARG  12  -4.301  -3.776  -6.115
  100    HB2  ARG  12           HB2      ARG  12  -3.431  -4.807  -8.811
  101    HB3  ARG  12           HB1      ARG  12  -4.672  -3.594  -8.523
  102    HG2  ARG  12           HG2      ARG  12  -2.947  -2.170  -7.446
  103    HG3  ARG  12           HG1      ARG  12  -1.734  -3.357  -7.926
  104    HD2  ARG  12           HD2      ARG  12  -2.425  -3.035 -10.275
  105    HD3  ARG  12           HD1      ARG  12  -3.521  -1.762  -9.744
  106    HE   ARG  12           HE       ARG  12  -0.615  -1.631  -9.885
  107   HH11  ARG  12          HH11      ARG  12  -3.601  -0.093  -8.868
  108   HH12  ARG  12          HH12      ARG  12  -2.871   1.468  -8.658
  109   HH21  ARG  12          HH21      ARG  12   0.343   0.425  -9.606
  110   HH22  ARG  12          HH22      ARG  12  -0.633   1.765  -9.095
  111    H    GLY  13           HN       GLY  13  -4.278  -6.444  -5.128
  112    HA2  GLY  13           HA2      GLY  13  -6.291  -7.879  -6.645
  113    HA3  GLY  13           HA1      GLY  13  -5.537  -8.413  -5.151
  114    H    VAL  14           HN       VAL  14  -6.176  -7.112  -3.171
  115    HA   VAL  14           HA       VAL  14  -9.049  -6.498  -3.349
  116    HB   VAL  14           HB       VAL  14  -9.346  -7.297  -1.094
  117   HG11  VAL  14          HG11      VAL  14  -7.760  -9.270  -2.725
  118   HG12  VAL  14          HG12      VAL  14  -9.489  -8.963  -2.854
  119   HG13  VAL  14          HG13      VAL  14  -8.827  -9.675  -1.383
  120   HG21  VAL  14          HG21      VAL  14  -7.510  -8.354   0.164
  121   HG22  VAL  14          HG22      VAL  14  -7.237  -6.634  -0.110
  122   HG23  VAL  14          HG23      VAL  14  -6.377  -7.827  -1.080
  123    H    ASP  15           HN       ASP  15  -9.508  -5.359  -0.949
  124    HA   ASP  15           HA       ASP  15  -8.662  -2.732  -1.263
  125    HB2  ASP  15           HB2      ASP  15  -9.676  -2.300   0.905
  126    HB3  ASP  15           HB1      ASP  15 -10.695  -3.389  -0.027
  127    H    GLY  16           HN       GLY  16  -7.194  -1.447  -0.236
  128    HA2  GLY  16           HA2      GLY  16  -4.900  -2.793   0.951
  129    HA3  GLY  16           HA1      GLY  16  -4.994  -1.099   0.485
  130    H    LYS  17           HN       LYS  17  -6.456  -3.376   2.748
  131    HA   LYS  17           HA       LYS  17  -7.446  -1.535   4.576
  132    HB2  LYS  17           HB2      LYS  17  -7.155  -3.533   6.209
  133    HB3  LYS  17           HB1      LYS  17  -8.269  -3.665   4.855
  134    HG2  LYS  17           HG2      LYS  17  -6.727  -4.959   3.603
  135    HG3  LYS  17           HG1      LYS  17  -5.438  -4.655   4.763
  136    HD2  LYS  17           HD2      LYS  17  -6.298  -6.870   5.103
  137    HD3  LYS  17           HD1      LYS  17  -6.751  -5.853   6.470
  138    HE2  LYS  17           HE2      LYS  17  -8.579  -7.339   5.664
  139    HE3  LYS  17           HE1      LYS  17  -8.985  -5.625   5.649
  140    HZ1  LYS  17           HZ1      LYS  17  -8.027  -7.091   3.256
  141    HZ2  LYS  17           HZ2      LYS  17  -8.705  -5.537   3.307
  142    HZ3  LYS  17           HZ3      LYS  17  -9.662  -6.893   3.628
  143    H    TYR  18           HN       TYR  18  -4.209  -2.814   4.247
  144    HA   TYR  18           HA       TYR  18  -3.407  -1.453   6.711
  145    HB2  TYR  18           HB2      TYR  18  -2.184  -3.626   5.049
  146    HB3  TYR  18           HB1      TYR  18  -1.163  -2.655   6.096
  147    HD1  TYR  18           HD1      TYR  18  -4.381  -4.531   6.272
  148    HD2  TYR  18           HD2      TYR  18  -0.768  -3.443   8.221
  149    HE1  TYR  18           HE1      TYR  18  -4.999  -5.953   8.176
  150    HE2  TYR  18           HE2      TYR  18  -1.367  -4.861  10.138
  151    HH   TYR  18           HH       TYR  18  -3.862  -7.144  10.035
  152    H    LYS  19           HN       LYS  19  -1.658   0.048   6.698
  153    HA   LYS  19           HA       LYS  19  -1.110   1.217   4.058
  154    HB2  LYS  19           HB2      LYS  19  -2.993   2.387   5.305
  155    HB3  LYS  19           HB1      LYS  19  -1.793   2.870   6.493
  156    HG2  LYS  19           HG2      LYS  19  -1.307   3.511   3.627
  157    HG3  LYS  19           HG1      LYS  19  -2.488   4.458   4.524
  158    HD2  LYS  19           HD2      LYS  19   0.222   4.006   5.688
  159    HD3  LYS  19           HD1      LYS  19   0.020   5.202   4.409
  160    HE2  LYS  19           HE2      LYS  19  -0.142   6.276   6.569
  161    HE3  LYS  19           HE1      LYS  19  -1.703   6.328   5.759
  162    HZ1  LYS  19           HZ1      LYS  19  -2.447   4.498   7.141
  163    HZ2  LYS  19           HZ2      LYS  19  -1.900   5.772   8.105
  164    HZ3  LYS  19           HZ3      LYS  19  -0.934   4.408   7.889
  165    H    CYS  20           HN       CYS  20   0.864   2.205   3.818
  166    HA   CYS  20           HA       CYS  20   2.869   1.580   5.861
  167    HB2  CYS  20           HB2      CYS  20   3.188   0.914   3.456
  168    HB3  CYS  20           HB1      CYS  20   3.271   2.620   3.046
  169    HA   PRO  21           HA       PRO  21   2.218   5.925   6.989
  170    HB2  PRO  21           HB2      PRO  21   3.892   5.879   9.153
  171    HB3  PRO  21           HB1      PRO  21   2.217   5.319   9.194
  172    HG2  PRO  21           HG2      PRO  21   4.739   3.733   8.907
  173    HG3  PRO  21           HG1      PRO  21   3.305   3.388   9.892
  174    HD2  PRO  21           HD2      PRO  21   3.733   2.165   7.538
  175    HD3  PRO  21           HD1      PRO  21   2.098   2.595   8.080
  176    H    LYS  22           HN       LYS  22   5.106   4.328   6.112
  177    HA   LYS  22           HA       LYS  22   6.903   6.533   6.401
  178    HB2  LYS  22           HB2      LYS  22   7.195   4.087   4.654
  179    HB3  LYS  22           HB1      LYS  22   8.482   5.161   5.173
  180    HG2  LYS  22           HG2      LYS  22   6.823   3.535   7.077
  181    HG3  LYS  22           HG1      LYS  22   8.341   2.973   6.376
  182    HD2  LYS  22           HD2      LYS  22   9.468   4.955   7.347
  183    HD3  LYS  22           HD1      LYS  22   7.948   5.395   8.126
  184    HE2  LYS  22           HE2      LYS  22   9.437   4.207   9.665
  185    HE3  LYS  22           HE1      LYS  22   7.954   3.302   9.367
  186    HZ1  LYS  22           HZ1      LYS  22   9.885   1.862   9.317
  187    HZ2  LYS  22           HZ2      LYS  22  10.586   2.786   8.087
  188    HZ3  LYS  22           HZ3      LYS  22   9.164   1.919   7.789
  189    H    CYS  23           HN       CYS  23   5.577   4.909   3.513
  190    HA   CYS  23           HA       CYS  23   6.255   7.268   1.930
  191    HB2  CYS  23           HB2      CYS  23   5.874   5.792  -0.016
  192    HB3  CYS  23           HB1      CYS  23   7.055   5.118   1.094
  193    H    GLY  24           HN       GLY  24   3.548   5.274   2.923
  194    HA2  GLY  24           HA2      GLY  24   1.416   6.331   3.298
  195    HA3  GLY  24           HA1      GLY  24   1.733   7.361   1.908
  196    H    VAL  25           HN       VAL  25   2.640   4.086   1.542
  197    HA   VAL  25           HA       VAL  25   0.702   3.795  -0.567
  198    HB   VAL  25           HB       VAL  25   3.145   2.971  -0.590
  199   HG11  VAL  25          HG11      VAL  25   3.237   0.490   0.061
  200   HG12  VAL  25          HG12      VAL  25   1.863   0.860   1.109
  201   HG13  VAL  25          HG13      VAL  25   3.402   1.702   1.327
  202   HG21  VAL  25          HG21      VAL  25   2.600   1.130  -2.102
  203   HG22  VAL  25          HG22      VAL  25   1.560   2.525  -2.382
  204   HG23  VAL  25          HG23      VAL  25   0.942   1.128  -1.502
  205    H    ARG  26           HN       ARG  26  -0.686   1.960  -0.773
  206    HA   ARG  26           HA       ARG  26  -1.699   0.977   1.806
  207    HB2  ARG  26           HB2      ARG  26  -3.095   1.720  -0.753
  208    HB3  ARG  26           HB1      ARG  26  -3.847   0.627   0.399
  209    HG2  ARG  26           HG2      ARG  26  -2.884   3.377   1.131
  210    HG3  ARG  26           HG1      ARG  26  -4.525   3.030   0.587
  211    HD2  ARG  26           HD2      ARG  26  -4.700   1.363   2.438
  212    HD3  ARG  26           HD1      ARG  26  -3.141   1.933   3.025
  213    HE   ARG  26           HE       ARG  26  -4.466   4.212   2.989
  214   HH11  ARG  26          HH11      ARG  26  -5.625   1.062   3.981
  215   HH12  ARG  26          HH12      ARG  26  -6.671   1.700   5.214
  216   HH21  ARG  26          HH21      ARG  26  -5.860   5.045   4.607
  217   HH22  ARG  26          HH22      ARG  26  -6.790   3.951   5.582
  218    H    TYR  27           HN       TYR  27  -1.505  -1.141   2.137
  219    HA   TYR  27           HA       TYR  27  -1.443  -2.906  -0.211
  220    HB2  TYR  27           HB2      TYR  27  -0.080  -4.398   1.578
  221    HB3  TYR  27           HB1      TYR  27   0.677  -3.392   0.361
  222    HD1  TYR  27           HD1      TYR  27  -0.816  -2.783   3.723
  223    HD2  TYR  27           HD2      TYR  27   2.539  -2.310   1.167
  224    HE1  TYR  27           HE1      TYR  27   0.363  -1.577   5.498
  225    HE2  TYR  27           HE2      TYR  27   3.733  -1.111   2.950
  226    HH   TYR  27           HH       TYR  27   2.588  -1.062   6.188
  227    H    CYS  28           HN       CYS  28  -2.297  -4.946   0.046
  228    HA   CYS  28           HA       CYS  28  -4.702  -4.979   1.498
  229    HB2  CYS  28           HB2      CYS  28  -4.990  -7.236   0.589
  230    HB3  CYS  28           HB1      CYS  28  -4.451  -6.120  -0.653
  231    H    SER  29           HN       SER  29  -1.502  -6.174   2.217
  232    HA   SER  29           HA       SER  29  -2.184  -6.797   4.897
  233    HB2  SER  29           HB2      SER  29  -1.741  -9.137   3.024
  234    HB3  SER  29           HB1      SER  29  -1.605  -9.256   4.775
  235    HG   SER  29           HG       SER  29  -3.939  -8.100   3.813
  236    H    LEU  30           HN       LEU  30  -0.247  -8.288   5.815
  237    HA   LEU  30           HA       LEU  30   2.081  -6.730   5.624
  238    HB2  LEU  30           HB2      LEU  30   1.400  -8.159   7.554
  239    HB3  LEU  30           HB1      LEU  30   1.821  -9.573   6.611
  240    HG   LEU  30           HG       LEU  30   4.176  -8.724   6.510
  241   HD11  LEU  30          HD11      LEU  30   3.758  -6.373   6.899
  242   HD12  LEU  30          HD12      LEU  30   4.826  -7.010   8.148
  243   HD13  LEU  30          HD13      LEU  30   3.125  -6.725   8.506
  244   HD21  LEU  30          HD21      LEU  30   3.023  -9.185   9.257
  245   HD22  LEU  30          HD22      LEU  30   4.719  -9.362   8.806
  246   HD23  LEU  30          HD23      LEU  30   3.504 -10.435   8.110
  247    H    LYS  31           HN       LYS  31   1.009  -9.507   3.837
  248    HA   LYS  31           HA       LYS  31   3.409 -10.501   2.855
  249    HB2  LYS  31           HB2      LYS  31   0.739 -10.362   1.449
  250    HB3  LYS  31           HB1      LYS  31   2.082 -11.392   0.977
  251    HG2  LYS  31           HG2      LYS  31   0.518 -11.542   3.543
  252    HG3  LYS  31           HG1      LYS  31   0.451 -12.678   2.193
  253    HD2  LYS  31           HD2      LYS  31   2.851 -13.189   2.573
  254    HD3  LYS  31           HD1      LYS  31   2.817 -12.135   3.987
  255    HE2  LYS  31           HE2      LYS  31   1.075 -13.550   4.981
  256    HE3  LYS  31           HE1      LYS  31   1.151 -14.615   3.581
  257    HZ1  LYS  31           HZ1      LYS  31   3.475 -15.073   4.130
  258    HZ2  LYS  31           HZ2      LYS  31   2.440 -15.509   5.392
  259    HZ3  LYS  31           HZ3      LYS  31   3.353 -14.091   5.502
  260    H    CYS  32           HN       CYS  32   1.388  -7.884   1.541
  261    HA   CYS  32           HA       CYS  32   3.348  -7.348  -0.517
  262    HB2  CYS  32           HB2      CYS  32   0.762  -5.969   0.211
  263    HB3  CYS  32           HB1      CYS  32   1.807  -5.457  -1.113
  264    H    TYR  33           HN       TYR  33   2.554  -6.230   2.656
  265    HA   TYR  33           HA       TYR  33   3.820  -3.752   2.733
  266    HB2  TYR  33           HB2      TYR  33   2.498  -4.852   4.598
  267    HB3  TYR  33           HB1      TYR  33   3.914  -5.841   4.929
  268    HD1  TYR  33           HD1      TYR  33   5.486  -3.018   4.049
  269    HD2  TYR  33           HD2      TYR  33   2.874  -4.349   7.123
  270    HE1  TYR  33           HE1      TYR  33   6.300  -1.212   5.510
  271    HE2  TYR  33           HE2      TYR  33   3.711  -2.576   8.608
  272    HH   TYR  33           HH       TYR  33   5.887  -1.189   8.786
  273    H    LYS  34           HN       LYS  34   5.159  -6.957   3.470
  274    HA   LYS  34           HA       LYS  34   7.840  -5.879   3.570
  275    HB2  LYS  34           HB2      LYS  34   6.768  -8.667   3.981
  276    HB3  LYS  34           HB1      LYS  34   8.458  -8.213   4.177
  277    HG2  LYS  34           HG2      LYS  34   7.765  -6.576   5.898
  278    HG3  LYS  34           HG1      LYS  34   6.117  -7.176   5.756
  279    HD2  LYS  34           HD2      LYS  34   6.662  -9.255   6.663
  280    HD3  LYS  34           HD1      LYS  34   8.384  -9.047   6.340
  281    HE2  LYS  34           HE2      LYS  34   6.789  -7.457   8.344
  282    HE3  LYS  34           HE1      LYS  34   7.824  -8.829   8.736
  283    HZ1  LYS  34           HZ1      LYS  34   8.729  -6.291   7.482
  284    HZ2  LYS  34           HZ2      LYS  34   9.719  -7.602   7.880
  285    HZ3  LYS  34           HZ3      LYS  34   8.953  -6.721   9.100
  286    H    ASP  35           HN       ASP  35   6.870  -5.503   1.091
  287    HA   ASP  35           HA       ASP  35   8.239  -7.498  -0.566
  288    HB2  ASP  35           HB2      ASP  35   5.954  -7.149  -1.260
  289    HB3  ASP  35           HB1      ASP  35   6.163  -5.403  -1.240
  290    H    ALA  36           HN       ALA  36   9.881  -6.854  -1.918
  291    HA   ALA  36           HA       ALA  36  10.787  -4.068  -1.621
  292    HB1  ALA  36           HB1      ALA  36  13.097  -4.844  -1.606
  293    HB2  ALA  36           HB2      ALA  36  12.548  -6.516  -1.728
  294    HB3  ALA  36           HB3      ALA  36  12.187  -5.574  -0.282
  295    H    ALA  37           HN       ALA  37   9.178  -5.383  -3.708
  296    HA   ALA  37           HA       ALA  37  11.001  -4.960  -5.998
  297    HB1  ALA  37           HB1      ALA  37   8.532  -6.690  -5.859
  298    HB2  ALA  37           HB2      ALA  37  10.201  -7.260  -5.891
  299    HB3  ALA  37           HB3      ALA  37   9.525  -6.432  -7.292
  300    H    LYS  38           HN       LYS  38   7.729  -4.567  -4.771
  301    HA   LYS  38           HA       LYS  38   7.299  -2.369  -6.680
  302    HB2  LYS  38           HB2      LYS  38   5.320  -4.094  -5.209
  303    HB3  LYS  38           HB1      LYS  38   4.881  -2.708  -6.196
  304    HG2  LYS  38           HG2      LYS  38   5.791  -3.801  -8.164
  305    HG3  LYS  38           HG1      LYS  38   6.294  -5.180  -7.178
  306    HD2  LYS  38           HD2      LYS  38   3.950  -5.555  -6.557
  307    HD3  LYS  38           HD1      LYS  38   3.469  -4.220  -7.599
  308    HE2  LYS  38           HE2      LYS  38   4.341  -5.407  -9.540
  309    HE3  LYS  38           HE1      LYS  38   4.863  -6.735  -8.503
  310    HZ1  LYS  38           HZ1      LYS  38   2.055  -5.850  -8.884
  311    HZ2  LYS  38           HZ2      LYS  38   2.558  -7.127  -7.900
  312    HZ3  LYS  38           HZ3      LYS  38   2.755  -7.224  -9.575
  313    H    HIS  39           HN       HIS  39   7.123  -3.375  -3.315
  314    HA   HIS  39           HA       HIS  39   6.262  -0.781  -2.399
  315    HB2  HIS  39           HB2      HIS  39   5.793  -2.941  -1.174
  316    HB3  HIS  39           HB1      HIS  39   7.502  -2.998  -0.752
  317    HD1  HIS  39           HD1      HIS  39   7.533  -2.430   1.714
  318    HD2  HIS  39           HD2      HIS  39   5.087   0.085  -0.505
  319    HE1  HIS  39           HE1      HIS  39   6.755  -0.614   3.293
  320    H    VAL  40           HN       VAL  40   7.682   0.788  -2.979
  321    HA   VAL  40           HA       VAL  40  10.537   0.261  -2.577
  322    HB   VAL  40           HB       VAL  40   9.237   2.316  -4.365
  323   HG11  VAL  40          HG11      VAL  40  12.132   1.530  -4.043
  324   HG12  VAL  40          HG12      VAL  40  11.405   3.084  -3.630
  325   HG13  VAL  40          HG13      VAL  40  11.505   2.578  -5.316
  326   HG21  VAL  40          HG21      VAL  40   9.987   0.897  -6.214
  327   HG22  VAL  40          HG22      VAL  40   8.862   0.041  -5.161
  328   HG23  VAL  40          HG23      VAL  40  10.591  -0.290  -5.059
  329    H    HIS  41           HN       HIS  41  11.741   1.381  -1.287
  330    HA   HIS  41           HA       HIS  41  10.683   3.850  -0.101
  331    HB2  HIS  41           HB2      HIS  41  11.637   1.366   1.220
  332    HB3  HIS  41           HB1      HIS  41  12.122   2.893   1.952
  333    HD1  HIS  41           HD1      HIS  41  10.276   1.157   3.599
  334    HD2  HIS  41           HD2      HIS  41   8.882   3.891   0.809
  335    HE1  HIS  41           HE1      HIS  41   7.978   1.883   4.380
  336    H    LYS  42           HN       LYS  42  12.549   3.366  -2.283
  337    HA   LYS  42           HA       LYS  42  14.451   4.242  -3.131
  338    HB2  LYS  42           HB2      LYS  42  13.938   6.254  -1.809
  339    HB3  LYS  42           HB1      LYS  42  14.786   5.564  -0.434
  340    HG2  LYS  42           HG2      LYS  42  16.161   7.203  -1.584
  341    HG3  LYS  42           HG1      LYS  42  16.873   5.592  -1.691
  342    HD2  LYS  42           HD2      LYS  42  16.012   5.335  -3.945
  343    HD3  LYS  42           HD1      LYS  42  15.219   6.904  -3.841
  344    HE2  LYS  42           HE2      LYS  42  17.404   7.980  -3.587
  345    HE3  LYS  42           HE1      LYS  42  18.187   6.407  -3.709
  346    HZ1  LYS  42           HZ1      LYS  42  18.220   7.574  -5.819
  347    HZ2  LYS  42           HZ2      LYS  42  16.532   7.672  -5.820
  348    HZ3  LYS  42           HZ3      LYS  42  17.289   6.167  -5.930
  349    H    GLU  43           HN       GLU  43  15.169   3.512   0.280
  350    HA   GLU  43           HA       GLU  43  16.961   1.393  -0.602
  351    HB2  GLU  43           HB2      GLU  43  18.404   3.375  -0.320
  352    HB3  GLU  43           HB1      GLU  43  17.807   3.573   1.322
  353    HG2  GLU  43           HG2      GLU  43  20.014   2.527   1.264
  354    HG3  GLU  43           HG1      GLU  43  18.800   1.466   1.975
  355    H    SER  44           HN       SER  44  17.161  -0.268   0.865
  356    HA   SER  44           HA       SER  44  15.926  -0.102   3.474
  357    HB2  SER  44           HB2      SER  44  14.751  -1.899   1.329
  358    HB3  SER  44           HB1      SER  44  14.299  -1.918   3.033
  359    HG   SER  44           HG       SER  44  14.123   0.589   2.154
  360    H    GLU  45           HN       GLU  45  18.113  -0.622   4.029
  361    HA   GLU  45           HA       GLU  45  19.095  -3.231   3.203
  362    HB2  GLU  45           HB2      GLU  45  21.169  -2.658   4.297
  363    HB3  GLU  45           HB1      GLU  45  20.665  -1.314   3.290
  364    HG2  GLU  45           HG2      GLU  45  20.301  -1.469   6.273
  365    HG3  GLU  45           HG1      GLU  45  21.607  -0.620   5.453
  366    H    GLN  46           HN       GLN  46  17.893  -1.585   6.061
  367    HA   GLN  46           HA       GLN  46  17.457  -4.210   7.293
  368    HB2  GLN  46           HB2      GLN  46  18.698  -1.798   8.621
  369    HB3  GLN  46           HB1      GLN  46  18.018  -3.145   9.523
  370    HG2  GLN  46           HG2      GLN  46  19.620  -4.660   8.552
  371    HG3  GLN  46           HG1      GLN  46  20.249  -3.380   7.518
  372   HE21  GLN  46          HE21      GLN  46  20.062  -4.610  10.768
  373   HE22  GLN  46          HE22      GLN  46  21.374  -3.676  11.404
  Start of MODEL    5
    1    H1   GLY  -2           HT1      GLY  -2 -26.680  -4.782  -3.416
    2    H2   GLY  -2           HT2      GLY  -2 -27.847  -5.100  -2.231
    3    H3   GLY  -2           HT3      GLY  -2 -26.205  -5.167  -1.840
    4    HA2  GLY  -2           HA1      GLY  -2 -27.656  -2.721  -2.678
    5    HA3  GLY  -2           HA2      GLY  -2 -27.248  -3.133  -1.018
    6    HA   PRO  -1           HA       PRO  -1 -23.745  -0.621  -2.717
    7    HB2  PRO  -1           HB2      PRO  -1 -23.547   1.086  -0.632
    8    HB3  PRO  -1           HB1      PRO  -1 -24.684   1.341  -1.962
    9    HG2  PRO  -1           HG2      PRO  -1 -25.178   0.202   0.762
   10    HG3  PRO  -1           HG1      PRO  -1 -26.155   1.359  -0.162
   11    HD2  PRO  -1           HD2      PRO  -1 -26.739  -1.294  -0.010
   12    HD3  PRO  -1           HD1      PRO  -1 -27.145  -0.292  -1.414
   13    H    HIS   0           HN       HIS   0 -22.787  -2.812  -2.229
   14    HA   HIS   0           HA       HIS   0 -21.571  -3.234   0.330
   15    HB2  HIS   0           HB2      HIS   0 -22.094  -5.072  -1.288
   16    HB3  HIS   0           HB1      HIS   0 -20.828  -4.456  -2.340
   17    HD1  HIS   0           HD1      HIS   0 -21.401  -6.528   0.663
   18    HD2  HIS   0           HD2      HIS   0 -18.176  -4.843  -1.348
   19    HE1  HIS   0           HE1      HIS   0 -19.360  -7.668   1.583
   20    HE2  HIS   0           HE2      HIS   0 -17.416  -6.527   0.462
   21    H    MET   1           HN       MET   1 -20.665  -1.768  -2.701
   22    HA   MET   1           HA       MET   1 -18.213  -0.763  -1.423
   23    HB2  MET   1           HB2      MET   1 -17.657  -2.231  -3.289
   24    HB3  MET   1           HB1      MET   1 -18.726  -1.329  -4.352
   25    HG2  MET   1           HG2      MET   1 -16.366  -0.787  -4.715
   26    HG3  MET   1           HG1      MET   1 -17.307   0.613  -4.209
   27    HE1  MET   1           HE1      MET   1 -15.983  -2.347  -1.956
   28    HE2  MET   1           HE2      MET   1 -14.434  -1.694  -1.420
   29    HE3  MET   1           HE3      MET   1 -14.680  -2.100  -3.117
   30    H    VAL   2           HN       VAL   2 -18.292   1.328  -0.994
   31    HA   VAL   2           HA       VAL   2 -19.979   3.042  -2.693
   32    HB   VAL   2           HB       VAL   2 -20.928   2.659  -0.420
   33   HG11  VAL   2          HG11      VAL   2 -18.480   4.125   0.530
   34   HG12  VAL   2          HG12      VAL   2 -18.888   2.440   0.847
   35   HG13  VAL   2          HG13      VAL   2 -19.887   3.729   1.515
   36   HG21  VAL   2          HG21      VAL   2 -20.102   5.498  -1.007
   37   HG22  VAL   2          HG22      VAL   2 -21.396   5.014   0.088
   38   HG23  VAL   2          HG23      VAL   2 -21.525   4.665  -1.634
   39    H    SER   3           HN       SER   3 -17.068   2.251  -2.592
   40    HA   SER   3           HA       SER   3 -15.107   3.162  -3.220
   41    HB2  SER   3           HB2      SER   3 -16.743   5.678  -3.582
   42    HB3  SER   3           HB1      SER   3 -15.096   5.446  -4.169
   43    HG   SER   3           HG       SER   3 -17.436   4.040  -4.942
   44    H    SER   4           HN       SER   4 -16.200   3.440  -0.360
   45    HA   SER   4           HA       SER   4 -14.541   5.622   0.619
   46    HB2  SER   4           HB2      SER   4 -16.194   3.584   2.135
   47    HB3  SER   4           HB1      SER   4 -15.391   4.987   2.841
   48    HG   SER   4           HG       SER   4 -16.731   6.322   1.594
   49    H    ALA   5           HN       ALA   5 -14.243   2.367  -0.155
   50    HA   ALA   5           HA       ALA   5 -11.920   2.010   1.603
   51    HB1  ALA   5           HB1      ALA   5 -13.634   0.254   1.755
   52    HB2  ALA   5           HB2      ALA   5 -12.112  -0.373   1.123
   53    HB3  ALA   5           HB3      ALA   5 -13.458  -0.057   0.028
   54    H    VAL   6           HN       VAL   6 -10.052   1.010   0.693
   55    HA   VAL   6           HA       VAL   6  -9.604   2.031  -2.029
   56    HB   VAL   6           HB       VAL   6  -8.632   3.279   0.014
   57   HG11  VAL   6          HG11      VAL   6  -6.713   0.967  -0.111
   58   HG12  VAL   6          HG12      VAL   6  -7.768   1.399   1.234
   59   HG13  VAL   6          HG13      VAL   6  -6.443   2.468   0.775
   60   HG21  VAL   6          HG21      VAL   6  -8.041   3.792  -2.244
   61   HG22  VAL   6          HG22      VAL   6  -6.883   2.463  -2.282
   62   HG23  VAL   6          HG23      VAL   6  -6.604   3.846  -1.225
   63    H    LYS   7           HN       LYS   7  -7.878   0.905  -3.225
   64    HA   LYS   7           HA       LYS   7  -7.803  -1.936  -2.487
   65    HB2  LYS   7           HB2      LYS   7  -7.216  -0.627  -5.148
   66    HB3  LYS   7           HB1      LYS   7  -7.225  -2.356  -4.825
   67    HG2  LYS   7           HG2      LYS   7  -9.631  -0.620  -4.459
   68    HG3  LYS   7           HG1      LYS   7  -9.255  -1.489  -5.951
   69    HD2  LYS   7           HD2      LYS   7  -9.112  -3.580  -4.535
   70    HD3  LYS   7           HD1      LYS   7  -9.820  -2.631  -3.227
   71    HE2  LYS   7           HE2      LYS   7 -11.513  -3.889  -4.434
   72    HE3  LYS   7           HE1      LYS   7 -11.753  -2.154  -4.602
   73    HZ1  LYS   7           HZ1      LYS   7 -12.054  -3.344  -6.698
   74    HZ2  LYS   7           HZ2      LYS   7 -10.459  -3.898  -6.625
   75    HZ3  LYS   7           HZ3      LYS   7 -10.775  -2.245  -6.786
   76    H    CYS   8           HN       CYS   8  -5.838  -3.151  -2.868
   77    HA   CYS   8           HA       CYS   8  -3.568  -1.966  -1.686
   78    HB2  CYS   8           HB2      CYS   8  -4.169  -4.406  -1.680
   79    HB3  CYS   8           HB1      CYS   8  -3.679  -4.478  -3.361
   80    H    GLY   9           HN       GLY   9  -1.997  -0.762  -2.563
   81    HA2  GLY   9           HA2      GLY   9  -2.064  -0.238  -5.415
   82    HA3  GLY   9           HA1      GLY   9  -1.081   0.592  -4.215
   83    H    ILE  10           HN       ILE  10  -0.692  -2.655  -3.716
   84    HA   ILE  10           HA       ILE  10   1.848  -2.551  -5.182
   85    HB   ILE  10           HB       ILE  10   1.151  -4.309  -2.831
   86   HG12  ILE  10          HG12      ILE  10   2.497  -1.611  -3.010
   87   HG13  ILE  10          HG11      ILE  10   1.098  -2.064  -2.045
   88   HG21  ILE  10          HG21      ILE  10   3.548  -4.712  -2.700
   89   HG22  ILE  10          HG22      ILE  10   3.813  -3.663  -4.092
   90   HG23  ILE  10          HG23      ILE  10   2.933  -5.178  -4.289
   91   HD11  ILE  10          HD11      ILE  10   2.483  -3.365  -0.574
   92   HD12  ILE  10          HD12      ILE  10   3.143  -1.737  -0.721
   93   HD13  ILE  10          HD13      ILE  10   3.889  -3.074  -1.593
   94    H    CYS  11           HN       CYS  11  -0.995  -4.567  -4.603
   95    HA   CYS  11           HA       CYS  11  -0.045  -6.262  -6.816
   96    HB2  CYS  11           HB2      CYS  11  -1.160  -8.177  -5.853
   97    HB3  CYS  11           HB1      CYS  11  -0.082  -7.467  -4.659
   98    H    ARG  12           HN       ARG  12  -2.470  -4.208  -5.677
   99    HA   ARG  12           HA       ARG  12  -4.447  -3.461  -6.475
  100    HB2  ARG  12           HB2      ARG  12  -3.620  -4.816  -9.048
  101    HB3  ARG  12           HB1      ARG  12  -4.852  -3.575  -8.879
  102    HG2  ARG  12           HG2      ARG  12  -1.925  -3.188  -8.288
  103    HG3  ARG  12           HG1      ARG  12  -2.726  -2.729  -9.789
  104    HD2  ARG  12           HD2      ARG  12  -4.150  -1.177  -8.584
  105    HD3  ARG  12           HD1      ARG  12  -3.431  -1.678  -7.052
  106    HE   ARG  12           HE       ARG  12  -1.394  -0.807  -8.777
  107   HH11  ARG  12          HH11      ARG  12  -4.110   0.510  -6.995
  108   HH12  ARG  12          HH12      ARG  12  -3.351   2.049  -6.740
  109   HH21  ARG  12          HH21      ARG  12  -0.408   1.205  -8.461
  110   HH22  ARG  12          HH22      ARG  12  -1.237   2.449  -7.579
  111    H    GLY  13           HN       GLY  13  -4.191  -6.212  -5.324
  112    HA2  GLY  13           HA2      GLY  13  -6.103  -7.807  -6.811
  113    HA3  GLY  13           HA1      GLY  13  -5.245  -8.291  -5.357
  114    H    VAL  14           HN       VAL  14  -5.932  -7.051  -3.346
  115    HA   VAL  14           HA       VAL  14  -8.856  -6.762  -3.405
  116    HB   VAL  14           HB       VAL  14  -8.969  -7.610  -1.129
  117   HG11  VAL  14          HG11      VAL  14  -7.365  -9.442  -2.902
  118   HG12  VAL  14          HG12      VAL  14  -9.117  -9.235  -2.937
  119   HG13  VAL  14          HG13      VAL  14  -8.339  -9.938  -1.518
  120   HG21  VAL  14          HG21      VAL  14  -6.830  -6.829  -0.292
  121   HG22  VAL  14          HG22      VAL  14  -5.984  -7.976  -1.331
  122   HG23  VAL  14          HG23      VAL  14  -7.003  -8.562  -0.016
  123    H    ASP  15           HN       ASP  15  -9.293  -5.756  -0.929
  124    HA   ASP  15           HA       ASP  15  -8.744  -3.034  -1.251
  125    HB2  ASP  15           HB2      ASP  15  -9.723  -2.743   0.974
  126    HB3  ASP  15           HB1      ASP  15 -10.683  -3.845  -0.004
  127    H    GLY  16           HN       GLY  16  -7.389  -1.625  -0.237
  128    HA2  GLY  16           HA2      GLY  16  -4.971  -2.782   0.940
  129    HA3  GLY  16           HA1      GLY  16  -5.163  -1.126   0.374
  130    H    LYS  17           HN       LYS  17  -6.374  -3.370   2.806
  131    HA   LYS  17           HA       LYS  17  -7.531  -1.451   4.495
  132    HB2  LYS  17           HB2      LYS  17  -7.180  -3.329   6.248
  133    HB3  LYS  17           HB1      LYS  17  -8.278  -3.583   4.899
  134    HG2  LYS  17           HG2      LYS  17  -6.724  -4.942   3.762
  135    HG3  LYS  17           HG1      LYS  17  -5.412  -4.476   4.843
  136    HD2  LYS  17           HD2      LYS  17  -6.178  -6.688   5.416
  137    HD3  LYS  17           HD1      LYS  17  -6.614  -5.562   6.701
  138    HE2  LYS  17           HE2      LYS  17  -8.439  -7.129   6.177
  139    HE3  LYS  17           HE1      LYS  17  -8.889  -5.452   5.884
  140    HZ1  LYS  17           HZ1      LYS  17  -8.594  -5.760   3.544
  141    HZ2  LYS  17           HZ2      LYS  17  -9.593  -7.000   4.115
  142    HZ3  LYS  17           HZ3      LYS  17  -7.974  -7.320   3.769
  143    H    TYR  18           HN       TYR  18  -4.252  -2.577   4.224
  144    HA   TYR  18           HA       TYR  18  -3.501  -1.095   6.639
  145    HB2  TYR  18           HB2      TYR  18  -2.191  -3.274   5.047
  146    HB3  TYR  18           HB1      TYR  18  -1.221  -2.243   6.084
  147    HD1  TYR  18           HD1      TYR  18  -4.429  -4.148   6.343
  148    HD2  TYR  18           HD2      TYR  18  -0.723  -3.112   8.143
  149    HE1  TYR  18           HE1      TYR  18  -4.957  -5.606   8.244
  150    HE2  TYR  18           HE2      TYR  18  -1.242  -4.565  10.055
  151    HH   TYR  18           HH       TYR  18  -3.291  -5.499  11.155
  152    H    LYS  19           HN       LYS  19  -1.797   0.465   6.545
  153    HA   LYS  19           HA       LYS  19  -1.092   1.392   3.855
  154    HB2  LYS  19           HB2      LYS  19  -3.082   2.657   4.816
  155    HB3  LYS  19           HB1      LYS  19  -1.980   3.283   6.033
  156    HG2  LYS  19           HG2      LYS  19  -1.192   3.618   3.199
  157    HG3  LYS  19           HG1      LYS  19  -2.540   4.589   3.789
  158    HD2  LYS  19           HD2      LYS  19  -0.062   4.472   5.429
  159    HD3  LYS  19           HD1      LYS  19  -0.035   5.426   3.947
  160    HE2  LYS  19           HE2      LYS  19  -0.626   6.804   5.872
  161    HE3  LYS  19           HE1      LYS  19  -1.956   6.709   4.725
  162    HZ1  LYS  19           HZ1      LYS  19  -2.723   6.497   6.999
  163    HZ2  LYS  19           HZ2      LYS  19  -1.736   5.149   7.237
  164    HZ3  LYS  19           HZ3      LYS  19  -3.019   5.072   6.143
  165    H    CYS  20           HN       CYS  20   0.878   2.460   3.698
  166    HA   CYS  20           HA       CYS  20   2.691   2.005   5.953
  167    HB2  CYS  20           HB2      CYS  20   3.293   1.145   3.704
  168    HB3  CYS  20           HB1      CYS  20   3.315   2.792   3.098
  169    HA   PRO  21           HA       PRO  21   2.161   6.443   6.703
  170    HB2  PRO  21           HB2      PRO  21   3.570   6.465   9.033
  171    HB3  PRO  21           HB1      PRO  21   1.885   5.943   8.927
  172    HG2  PRO  21           HG2      PRO  21   4.381   4.286   8.988
  173    HG3  PRO  21           HG1      PRO  21   2.855   4.038   9.858
  174    HD2  PRO  21           HD2      PRO  21   3.463   2.662   7.619
  175    HD3  PRO  21           HD1      PRO  21   1.800   3.144   8.004
  176    H    LYS  22           HN       LYS  22   4.859   4.662   5.861
  177    HA   LYS  22           HA       LYS  22   6.780   6.803   6.253
  178    HB2  LYS  22           HB2      LYS  22   7.135   4.100   4.946
  179    HB3  LYS  22           HB1      LYS  22   8.421   5.225   5.364
  180    HG2  LYS  22           HG2      LYS  22   6.586   3.825   7.292
  181    HG3  LYS  22           HG1      LYS  22   8.286   3.446   6.998
  182    HD2  LYS  22           HD2      LYS  22   8.930   5.651   7.810
  183    HD3  LYS  22           HD1      LYS  22   7.237   6.067   8.066
  184    HE2  LYS  22           HE2      LYS  22   7.055   4.251   9.707
  185    HE3  LYS  22           HE1      LYS  22   8.761   3.875   9.466
  186    HZ1  LYS  22           HZ1      LYS  22   7.732   6.485  10.432
  187    HZ2  LYS  22           HZ2      LYS  22   9.354   6.028  10.306
  188    HZ3  LYS  22           HZ3      LYS  22   8.347   5.267  11.430
  189    H    CYS  23           HN       CYS  23   5.723   4.862   3.451
  190    HA   CYS  23           HA       CYS  23   6.629   7.041   1.726
  191    HB2  CYS  23           HB2      CYS  23   6.470   5.412  -0.117
  192    HB3  CYS  23           HB1      CYS  23   7.507   4.837   1.179
  193    H    GLY  24           HN       GLY  24   3.768   5.369   2.761
  194    HA2  GLY  24           HA2      GLY  24   1.668   6.486   2.753
  195    HA3  GLY  24           HA1      GLY  24   2.176   7.371   1.324
  196    H    VAL  25           HN       VAL  25   2.875   4.026   1.389
  197    HA   VAL  25           HA       VAL  25   1.108   3.627  -0.858
  198    HB   VAL  25           HB       VAL  25   3.513   2.755  -0.657
  199   HG11  VAL  25          HG11      VAL  25   2.091   0.703   1.026
  200   HG12  VAL  25          HG12      VAL  25   3.468   1.714   1.479
  201   HG13  VAL  25          HG13      VAL  25   3.667   0.445   0.273
  202   HG21  VAL  25          HG21      VAL  25   1.313   0.893  -1.520
  203   HG22  VAL  25          HG22      VAL  25   3.007   0.766  -1.994
  204   HG23  VAL  25          HG23      VAL  25   2.054   2.164  -2.490
  205    H    ARG  26           HN       ARG  26  -0.361   1.883  -1.007
  206    HA   ARG  26           HA       ARG  26  -1.566   1.096   1.558
  207    HB2  ARG  26           HB2      ARG  26  -2.750   1.660  -1.149
  208    HB3  ARG  26           HB1      ARG  26  -3.598   0.636   0.001
  209    HG2  ARG  26           HG2      ARG  26  -2.697   3.429   0.645
  210    HG3  ARG  26           HG1      ARG  26  -4.282   3.049  -0.034
  211    HD2  ARG  26           HD2      ARG  26  -4.693   1.541   1.881
  212    HD3  ARG  26           HD1      ARG  26  -3.148   2.035   2.568
  213    HE   ARG  26           HE       ARG  26  -4.455   4.381   2.188
  214   HH11  ARG  26          HH11      ARG  26  -5.329   1.386   3.776
  215   HH12  ARG  26          HH12      ARG  26  -6.282   2.167   4.999
  216   HH21  ARG  26          HH21      ARG  26  -5.709   5.412   3.796
  217   HH22  ARG  26          HH22      ARG  26  -6.497   4.456   5.012
  218    H    TYR  27           HN       TYR  27  -1.576  -1.017   2.035
  219    HA   TYR  27           HA       TYR  27  -1.359  -2.917  -0.183
  220    HB2  TYR  27           HB2      TYR  27  -0.017  -4.301   1.703
  221    HB3  TYR  27           HB1      TYR  27   0.759  -3.332   0.463
  222    HD1  TYR  27           HD1      TYR  27  -0.822  -2.631   3.774
  223    HD2  TYR  27           HD2      TYR  27   2.569  -2.171   1.260
  224    HE1  TYR  27           HE1      TYR  27   0.299  -1.310   5.519
  225    HE2  TYR  27           HE2      TYR  27   3.696  -0.865   3.008
  226    HH   TYR  27           HH       TYR  27   2.440  -0.667   6.214
  227    H    CYS  28           HN       CYS  28  -2.157  -4.929   0.158
  228    HA   CYS  28           HA       CYS  28  -4.611  -4.948   1.565
  229    HB2  CYS  28           HB2      CYS  28  -4.839  -7.212   0.589
  230    HB3  CYS  28           HB1      CYS  28  -4.390  -6.009  -0.610
  231    H    SER  29           HN       SER  29  -1.416  -6.087   2.253
  232    HA   SER  29           HA       SER  29  -1.986  -6.782   4.907
  233    HB2  SER  29           HB2      SER  29  -1.643  -9.261   4.729
  234    HB3  SER  29           HB1      SER  29  -3.141  -8.715   3.984
  235    HG   SER  29           HG       SER  29  -2.419  -9.286   2.085
  236    H    LEU  30           HN       LEU  30  -0.089  -8.560   5.563
  237    HA   LEU  30           HA       LEU  30   2.340  -7.192   5.267
  238    HB2  LEU  30           HB2      LEU  30   1.629  -9.934   6.232
  239    HB3  LEU  30           HB1      LEU  30   3.303  -9.435   6.105
  240    HG   LEU  30           HG       LEU  30   1.208  -8.054   7.789
  241   HD11  LEU  30          HD11      LEU  30   1.762 -10.275   8.641
  242   HD12  LEU  30          HD12      LEU  30   2.394  -9.006   9.690
  243   HD13  LEU  30          HD13      LEU  30   3.477  -9.866   8.595
  244   HD21  LEU  30          HD21      LEU  30   3.140  -6.869   8.753
  245   HD22  LEU  30          HD22      LEU  30   2.930  -6.514   7.039
  246   HD23  LEU  30          HD23      LEU  30   4.188  -7.634   7.561
  247    H    LYS  31           HN       LYS  31   0.771  -9.476   3.249
  248    HA   LYS  31           HA       LYS  31   2.953 -10.725   2.013
  249    HB2  LYS  31           HB2      LYS  31   0.318  -9.991   0.724
  250    HB3  LYS  31           HB1      LYS  31   1.429 -11.242   0.188
  251    HG2  LYS  31           HG2      LYS  31  -0.059 -11.248   2.805
  252    HG3  LYS  31           HG1      LYS  31  -0.527 -12.143   1.361
  253    HD2  LYS  31           HD2      LYS  31   1.634 -13.346   1.457
  254    HD3  LYS  31           HD1      LYS  31   2.003 -12.501   2.964
  255    HE2  LYS  31           HE2      LYS  31  -0.037 -13.463   3.963
  256    HE3  LYS  31           HE1      LYS  31  -0.322 -14.356   2.472
  257    HZ1  LYS  31           HZ1      LYS  31   1.784 -15.501   2.808
  258    HZ2  LYS  31           HZ2      LYS  31   0.747 -15.737   4.121
  259    HZ3  LYS  31           HZ3      LYS  31   2.037 -14.653   4.249
  260    H    CYS  32           HN       CYS  32   1.457  -7.615   1.480
  261    HA   CYS  32           HA       CYS  32   3.394  -7.049  -0.650
  262    HB2  CYS  32           HB2      CYS  32   0.789  -5.692   0.064
  263    HB3  CYS  32           HB1      CYS  32   1.901  -5.103  -1.166
  264    H    TYR  33           HN       TYR  33   2.524  -6.306   2.585
  265    HA   TYR  33           HA       TYR  33   3.710  -3.782   2.900
  266    HB2  TYR  33           HB2      TYR  33   2.257  -5.101   4.570
  267    HB3  TYR  33           HB1      TYR  33   3.735  -5.948   5.011
  268    HD1  TYR  33           HD1      TYR  33   5.231  -3.085   4.431
  269    HD2  TYR  33           HD2      TYR  33   2.175  -4.512   7.017
  270    HE1  TYR  33           HE1      TYR  33   5.744  -1.275   6.034
  271    HE2  TYR  33           HE2      TYR  33   2.693  -2.729   8.628
  272    HH   TYR  33           HH       TYR  33   4.664  -0.066   7.845
  273    H    LYS  34           HN       LYS  34   5.041  -7.005   3.604
  274    HA   LYS  34           HA       LYS  34   7.697  -5.874   3.890
  275    HB2  LYS  34           HB2      LYS  34   6.706  -8.706   4.220
  276    HB3  LYS  34           HB1      LYS  34   8.339  -8.164   4.577
  277    HG2  LYS  34           HG2      LYS  34   7.401  -6.601   6.253
  278    HG3  LYS  34           HG1      LYS  34   5.807  -7.288   5.948
  279    HD2  LYS  34           HD2      LYS  34   8.166  -8.946   6.823
  280    HD3  LYS  34           HD1      LYS  34   7.071  -8.175   7.965
  281    HE2  LYS  34           HE2      LYS  34   6.290 -10.381   7.750
  282    HE3  LYS  34           HE1      LYS  34   5.196  -9.406   6.775
  283    HZ1  LYS  34           HZ1      LYS  34   7.502 -10.899   5.653
  284    HZ2  LYS  34           HZ2      LYS  34   6.247 -10.154   4.797
  285    HZ3  LYS  34           HZ3      LYS  34   5.933 -11.520   5.733
  286    H    ASP  35           HN       ASP  35   6.915  -5.463   1.385
  287    HA   ASP  35           HA       ASP  35   8.349  -7.459  -0.215
  288    HB2  ASP  35           HB2      ASP  35   6.069  -7.194  -0.963
  289    HB3  ASP  35           HB1      ASP  35   6.225  -5.443  -0.972
  290    H    ALA  36           HN       ALA  36   9.977  -6.746  -1.590
  291    HA   ALA  36           HA       ALA  36  10.777  -3.928  -1.282
  292    HB1  ALA  36           HB1      ALA  36  13.121  -4.647  -1.270
  293    HB2  ALA  36           HB2      ALA  36  12.601  -6.330  -1.324
  294    HB3  ALA  36           HB3      ALA  36  12.221  -5.334   0.081
  295    H    ALA  37           HN       ALA  37   9.278  -5.390  -3.395
  296    HA   ALA  37           HA       ALA  37  11.129  -4.905  -5.649
  297    HB1  ALA  37           HB1      ALA  37  10.501  -7.251  -5.498
  298    HB2  ALA  37           HB2      ALA  37   9.787  -6.517  -6.934
  299    HB3  ALA  37           HB3      ALA  37   8.794  -6.810  -5.505
  300    H    LYS  38           HN       LYS  38   7.814  -4.688  -4.504
  301    HA   LYS  38           HA       LYS  38   7.276  -2.603  -6.513
  302    HB2  LYS  38           HB2      LYS  38   5.374  -4.434  -5.060
  303    HB3  LYS  38           HB1      LYS  38   4.873  -3.107  -6.099
  304    HG2  LYS  38           HG2      LYS  38   5.959  -4.179  -8.001
  305    HG3  LYS  38           HG1      LYS  38   6.474  -5.509  -6.957
  306    HD2  LYS  38           HD2      LYS  38   4.139  -6.029  -6.475
  307    HD3  LYS  38           HD1      LYS  38   3.623  -4.700  -7.509
  308    HE2  LYS  38           HE2      LYS  38   4.703  -5.799  -9.422
  309    HE3  LYS  38           HE1      LYS  38   5.159  -7.142  -8.377
  310    HZ1  LYS  38           HZ1      LYS  38   3.152  -7.612  -9.650
  311    HZ2  LYS  38           HZ2      LYS  38   2.375  -6.287  -8.950
  312    HZ3  LYS  38           HZ3      LYS  38   2.831  -7.603  -7.993
  313    H    HIS  39           HN       HIS  39   7.241  -3.479  -3.136
  314    HA   HIS  39           HA       HIS  39   6.249  -0.874  -2.328
  315    HB2  HIS  39           HB2      HIS  39   5.785  -2.930  -0.972
  316    HB3  HIS  39           HB1      HIS  39   7.507  -3.042  -0.622
  317    HD1  HIS  39           HD1      HIS  39   7.061  -2.691   1.952
  318    HD2  HIS  39           HD2      HIS  39   5.831   0.442  -0.493
  319    HE1  HIS  39           HE1      HIS  39   6.583  -0.731   3.478
  320    H    VAL  40           HN       VAL  40   7.609   0.726  -2.866
  321    HA   VAL  40           HA       VAL  40  10.462   0.209  -2.829
  322    HB   VAL  40           HB       VAL  40   8.921   2.529  -3.985
  323   HG11  VAL  40          HG11      VAL  40  11.844   1.816  -4.202
  324   HG12  VAL  40          HG12      VAL  40  11.165   3.216  -3.371
  325   HG13  VAL  40          HG13      VAL  40  11.032   3.080  -5.124
  326   HG21  VAL  40          HG21      VAL  40   9.402   1.505  -6.138
  327   HG22  VAL  40          HG22      VAL  40   8.516   0.379  -5.107
  328   HG23  VAL  40          HG23      VAL  40  10.253   0.183  -5.339
  329    H    HIS  41           HN       HIS  41  11.524   0.601  -1.109
  330    HA   HIS  41           HA       HIS  41  11.146   3.168   0.263
  331    HB2  HIS  41           HB2      HIS  41  11.405   0.429   1.394
  332    HB3  HIS  41           HB1      HIS  41  12.265   1.719   2.227
  333    HD1  HIS  41           HD1      HIS  41  10.201   0.596   3.951
  334    HD2  HIS  41           HD2      HIS  41   9.235   3.407   1.044
  335    HE1  HIS  41           HE1      HIS  41   8.080   1.737   4.730
  336    H    LYS  42           HN       LYS  42  13.440   0.475  -0.139
  337    HA   LYS  42           HA       LYS  42  15.649   2.389  -0.061
  338    HB2  LYS  42           HB2      LYS  42  15.704  -0.635  -0.092
  339    HB3  LYS  42           HB1      LYS  42  17.105   0.409   0.077
  340    HG2  LYS  42           HG2      LYS  42  14.827   0.123   2.024
  341    HG3  LYS  42           HG1      LYS  42  16.475  -0.470   2.226
  342    HD2  LYS  42           HD2      LYS  42  15.614   2.417   2.044
  343    HD3  LYS  42           HD1      LYS  42  16.146   1.575   3.498
  344    HE2  LYS  42           HE2      LYS  42  18.353   1.223   2.457
  345    HE3  LYS  42           HE1      LYS  42  17.813   2.129   1.045
  346    HZ1  LYS  42           HZ1      LYS  42  18.090   3.173   3.808
  347    HZ2  LYS  42           HZ2      LYS  42  17.457   4.052   2.510
  348    HZ3  LYS  42           HZ3      LYS  42  19.070   3.554   2.485
  349    H    GLU  43           HN       GLU  43  15.333   3.342  -2.079
  350    HA   GLU  43           HA       GLU  43  16.511   1.864  -4.256
  351    HB2  GLU  43           HB2      GLU  43  14.113   1.307  -4.472
  352    HB3  GLU  43           HB1      GLU  43  13.729   3.021  -4.535
  353    HG2  GLU  43           HG2      GLU  43  13.711   1.993  -6.747
  354    HG3  GLU  43           HG1      GLU  43  14.943   3.247  -6.616
  355    H    SER  44           HN       SER  44  17.445   3.173  -5.767
  356    HA   SER  44           HA       SER  44  17.017   6.038  -5.675
  357    HB2  SER  44           HB2      SER  44  18.725   5.680  -3.933
  358    HB3  SER  44           HB1      SER  44  19.732   4.822  -5.098
  359    HG   SER  44           HG       SER  44  20.239   6.657  -6.058
  360    H    GLU  45           HN       GLU  45  16.188   5.500  -7.753
  361    HA   GLU  45           HA       GLU  45  17.646   4.213  -9.766
  362    HB2  GLU  45           HB2      GLU  45  15.594   6.385 -10.206
  363    HB3  GLU  45           HB1      GLU  45  16.033   5.095 -11.314
  364    HG2  GLU  45           HG2      GLU  45  14.127   4.195 -10.512
  365    HG3  GLU  45           HG1      GLU  45  15.222   3.603  -9.265
  366    H    GLN  46           HN       GLN  46  19.631   4.845 -10.257
  367    HA   GLN  46           HA       GLN  46  20.011   7.339 -11.614
  368    HB2  GLN  46           HB2      GLN  46  20.316   7.992  -9.229
  369    HB3  GLN  46           HB1      GLN  46  21.600   6.800  -9.093
  370    HG2  GLN  46           HG2      GLN  46  22.897   8.010 -10.775
  371    HG3  GLN  46           HG1      GLN  46  21.610   9.207 -10.900
  372   HE21  GLN  46          HE21      GLN  46  24.151   7.927  -8.905
  373   HE22  GLN  46          HE22      GLN  46  24.228   9.260  -7.805
  Start of MODEL    6
    1    H1   GLY  -2           HT1      GLY  -2 -15.514  -2.249  12.394
    2    H2   GLY  -2           HT2      GLY  -2 -16.296  -1.985  13.868
    3    H3   GLY  -2           HT3      GLY  -2 -14.740  -2.644  13.845
    4    HA2  GLY  -2           HA1      GLY  -2 -14.671  -0.320  14.484
    5    HA3  GLY  -2           HA2      GLY  -2 -13.837  -0.601  12.963
    6    HA   PRO  -1           HA       PRO  -1 -16.497   3.144  12.306
    7    HB2  PRO  -1           HB2      PRO  -1 -14.528   3.259  10.070
    8    HB3  PRO  -1           HB1      PRO  -1 -15.114   4.554  11.121
    9    HG2  PRO  -1           HG2      PRO  -1 -12.691   3.513  11.476
   10    HG3  PRO  -1           HG1      PRO  -1 -13.702   3.957  12.863
   11    HD2  PRO  -1           HD2      PRO  -1 -13.093   1.259  11.746
   12    HD3  PRO  -1           HD1      PRO  -1 -13.337   1.755  13.432
   13    H    HIS   0           HN       HIS   0 -18.324   2.985  11.200
   14    HA   HIS   0           HA       HIS   0 -18.458   1.079   8.969
   15    HB2  HIS   0           HB2      HIS   0 -20.678   2.257  10.659
   16    HB3  HIS   0           HB1      HIS   0 -20.902   1.091   9.361
   17    HD1  HIS   0           HD1      HIS   0 -20.810   1.184  12.864
   18    HD2  HIS   0           HD2      HIS   0 -19.124  -1.342  10.030
   19    HE1  HIS   0           HE1      HIS   0 -20.290  -0.948  14.084
   20    HE2  HIS   0           HE2      HIS   0 -19.067  -2.366  12.404
   21    H    MET   1           HN       MET   1 -17.303   3.040   7.909
   22    HA   MET   1           HA       MET   1 -19.325   4.916   6.879
   23    HB2  MET   1           HB2      MET   1 -16.319   5.212   6.956
   24    HB3  MET   1           HB1      MET   1 -17.440   6.391   6.293
   25    HG2  MET   1           HG2      MET   1 -18.442   6.679   8.502
   26    HG3  MET   1           HG1      MET   1 -17.308   5.503   9.164
   27    HE1  MET   1           HE1      MET   1 -14.668   6.282   7.466
   28    HE2  MET   1           HE2      MET   1 -14.670   5.866   9.180
   29    HE3  MET   1           HE3      MET   1 -13.878   7.344   8.633
   30    H    VAL   2           HN       VAL   2 -16.243   3.509   5.776
   31    HA   VAL   2           HA       VAL   2 -15.549   2.764   3.741
   32    HB   VAL   2           HB       VAL   2 -18.349   1.725   3.321
   33   HG11  VAL   2          HG11      VAL   2 -15.637   0.621   2.589
   34   HG12  VAL   2          HG12      VAL   2 -16.775   1.397   1.488
   35   HG13  VAL   2          HG13      VAL   2 -17.189  -0.142   2.242
   36   HG21  VAL   2          HG21      VAL   2 -16.215   0.519   5.082
   37   HG22  VAL   2          HG22      VAL   2 -17.748  -0.241   4.648
   38   HG23  VAL   2          HG23      VAL   2 -17.735   1.226   5.629
   39    H    SER   3           HN       SER   3 -16.161   5.387   3.663
   40    HA   SER   3           HA       SER   3 -17.817   5.854   1.307
   41    HB2  SER   3           HB2      SER   3 -16.440   7.834   3.140
   42    HB3  SER   3           HB1      SER   3 -17.602   8.226   1.872
   43    HG   SER   3           HG       SER   3 -18.277   7.897   4.256
   44    H    SER   4           HN       SER   4 -14.591   5.412   2.203
   45    HA   SER   4           HA       SER   4 -13.772   5.883  -0.545
   46    HB2  SER   4           HB2      SER   4 -12.294   7.084   1.812
   47    HB3  SER   4           HB1      SER   4 -11.758   7.126   0.132
   48    HG   SER   4           HG       SER   4 -14.225   8.045   0.157
   49    H    ALA   5           HN       ALA   5 -13.631   3.649  -0.725
   50    HA   ALA   5           HA       ALA   5 -11.751   2.261   1.030
   51    HB1  ALA   5           HB1      ALA   5 -13.583   1.145  -1.095
   52    HB2  ALA   5           HB2      ALA   5 -13.916   1.163   0.636
   53    HB3  ALA   5           HB3      ALA   5 -12.576   0.203   0.006
   54    H    VAL   6           HN       VAL   6 -10.064   1.046   0.188
   55    HA   VAL   6           HA       VAL   6  -9.082   2.118  -2.352
   56    HB   VAL   6           HB       VAL   6  -8.255   3.430  -0.398
   57   HG11  VAL   6          HG11      VAL   6  -6.826   0.880   0.325
   58   HG12  VAL   6          HG12      VAL   6  -8.121   1.646   1.245
   59   HG13  VAL   6          HG13      VAL   6  -6.565   2.457   1.068
   60   HG21  VAL   6          HG21      VAL   6  -6.202   1.915  -1.972
   61   HG22  VAL   6          HG22      VAL   6  -5.921   3.421  -1.099
   62   HG23  VAL   6          HG23      VAL   6  -7.042   3.385  -2.458
   63    H    LYS   7           HN       LYS   7  -7.757   0.736  -3.497
   64    HA   LYS   7           HA       LYS   7  -7.680  -2.014  -2.491
   65    HB2  LYS   7           HB2      LYS   7  -7.238  -0.975  -5.296
   66    HB3  LYS   7           HB1      LYS   7  -7.289  -2.666  -4.818
   67    HG2  LYS   7           HG2      LYS   7  -9.594  -0.780  -4.468
   68    HG3  LYS   7           HG1      LYS   7  -9.371  -1.820  -5.876
   69    HD2  LYS   7           HD2      LYS   7  -9.398  -3.789  -4.432
   70    HD3  LYS   7           HD1      LYS   7  -9.595  -2.755  -3.016
   71    HE2  LYS   7           HE2      LYS   7 -11.521  -2.812  -5.316
   72    HE3  LYS   7           HE1      LYS   7 -11.699  -3.815  -3.880
   73    HZ1  LYS   7           HZ1      LYS   7 -11.803  -1.812  -2.530
   74    HZ2  LYS   7           HZ2      LYS   7 -13.011  -1.790  -3.724
   75    HZ3  LYS   7           HZ3      LYS   7 -11.624  -0.845  -3.913
   76    H    CYS   8           HN       CYS   8  -5.778  -3.257  -2.668
   77    HA   CYS   8           HA       CYS   8  -3.462  -2.049  -1.708
   78    HB2  CYS   8           HB2      CYS   8  -4.036  -4.459  -1.533
   79    HB3  CYS   8           HB1      CYS   8  -3.684  -4.645  -3.241
   80    H    GLY   9           HN       GLY   9  -2.062  -0.738  -2.700
   81    HA2  GLY   9           HA2      GLY   9  -2.189  -0.385  -5.548
   82    HA3  GLY   9           HA1      GLY   9  -1.152   0.489  -4.431
   83    H    ILE  10           HN       ILE  10  -0.665  -2.701  -3.797
   84    HA   ILE  10           HA       ILE  10   1.812  -2.607  -5.348
   85    HB   ILE  10           HB       ILE  10   1.163  -4.394  -3.004
   86   HG12  ILE  10          HG12      ILE  10   2.468  -1.676  -3.163
   87   HG13  ILE  10          HG11      ILE  10   1.091  -2.161  -2.185
   88   HG21  ILE  10          HG21      ILE  10   3.787  -3.699  -4.324
   89   HG22  ILE  10          HG22      ILE  10   2.937  -5.238  -4.460
   90   HG23  ILE  10          HG23      ILE  10   3.588  -4.725  -2.903
   91   HD11  ILE  10          HD11      ILE  10   3.900  -3.137  -1.782
   92   HD12  ILE  10          HD12      ILE  10   2.505  -3.452  -0.747
   93   HD13  ILE  10          HD13      ILE  10   3.147  -1.816  -0.891
   94    H    CYS  11           HN       CYS  11  -0.983  -4.665  -4.691
   95    HA   CYS  11           HA       CYS  11  -0.097  -6.351  -6.935
   96    HB2  CYS  11           HB2      CYS  11  -1.103  -8.283  -5.910
   97    HB3  CYS  11           HB1      CYS  11  -0.025  -7.520  -4.746
   98    H    ARG  12           HN       ARG  12  -2.529  -4.375  -5.643
   99    HA   ARG  12           HA       ARG  12  -4.548  -3.664  -6.333
  100    HB2  ARG  12           HB2      ARG  12  -3.636  -4.811  -8.977
  101    HB3  ARG  12           HB1      ARG  12  -5.058  -3.801  -8.769
  102    HG2  ARG  12           HG2      ARG  12  -2.206  -2.992  -8.235
  103    HG3  ARG  12           HG1      ARG  12  -3.196  -2.499  -9.609
  104    HD2  ARG  12           HD2      ARG  12  -3.649  -1.822  -6.705
  105    HD3  ARG  12           HD1      ARG  12  -3.145  -0.721  -7.986
  106    HE   ARG  12           HE       ARG  12  -5.542  -1.780  -8.821
  107   HH11  ARG  12          HH11      ARG  12  -4.418   0.133  -6.106
  108   HH12  ARG  12          HH12      ARG  12  -5.966   0.866  -5.828
  109   HH21  ARG  12          HH21      ARG  12  -7.560  -0.812  -8.462
  110   HH22  ARG  12          HH22      ARG  12  -7.752   0.335  -7.172
  111    H    GLY  13           HN       GLY  13  -4.367  -6.255  -5.120
  112    HA2  GLY  13           HA2      GLY  13  -6.317  -7.896  -6.515
  113    HA3  GLY  13           HA1      GLY  13  -5.492  -8.300  -5.016
  114    H    VAL  14           HN       VAL  14  -6.191  -7.129  -3.062
  115    HA   VAL  14           HA       VAL  14  -9.085  -6.615  -3.202
  116    HB   VAL  14           HB       VAL  14  -9.286  -7.420  -0.930
  117   HG11  VAL  14          HG11      VAL  14  -8.675  -9.780  -1.246
  118   HG12  VAL  14          HG12      VAL  14  -7.687  -9.322  -2.634
  119   HG13  VAL  14          HG13      VAL  14  -9.435  -9.090  -2.680
  120   HG21  VAL  14          HG21      VAL  14  -7.369  -8.401   0.263
  121   HG22  VAL  14          HG22      VAL  14  -7.174  -6.672  -0.021
  122   HG23  VAL  14          HG23      VAL  14  -6.303  -7.832  -1.021
  123    H    ASP  15           HN       ASP  15  -9.603  -5.480  -0.836
  124    HA   ASP  15           HA       ASP  15  -8.736  -2.823  -1.164
  125    HB2  ASP  15           HB2      ASP  15 -10.124  -4.149   1.168
  126    HB3  ASP  15           HB1      ASP  15  -9.846  -2.415   1.048
  127    H    GLY  16           HN       GLY  16  -7.229  -1.610  -0.173
  128    HA2  GLY  16           HA2      GLY  16  -5.067  -2.996   1.162
  129    HA3  GLY  16           HA1      GLY  16  -5.108  -1.293   0.721
  130    H    LYS  17           HN       LYS  17  -6.204  -3.668   3.061
  131    HA   LYS  17           HA       LYS  17  -7.458  -1.844   4.825
  132    HB2  LYS  17           HB2      LYS  17  -7.147  -3.736   6.512
  133    HB3  LYS  17           HB1      LYS  17  -8.103  -4.080   5.077
  134    HG2  LYS  17           HG2      LYS  17  -6.451  -5.411   4.140
  135    HG3  LYS  17           HG1      LYS  17  -5.184  -4.724   5.153
  136    HD2  LYS  17           HD2      LYS  17  -5.711  -6.962   5.903
  137    HD3  LYS  17           HD1      LYS  17  -6.215  -5.787   7.115
  138    HE2  LYS  17           HE2      LYS  17  -8.512  -5.947   6.353
  139    HE3  LYS  17           HE1      LYS  17  -8.031  -7.071   5.084
  140    HZ1  LYS  17           HZ1      LYS  17  -7.408  -8.673   6.727
  141    HZ2  LYS  17           HZ2      LYS  17  -8.988  -8.167   7.058
  142    HZ3  LYS  17           HZ3      LYS  17  -7.700  -7.586   7.987
  143    H    TYR  18           HN       TYR  18  -4.154  -2.735   4.351
  144    HA   TYR  18           HA       TYR  18  -3.388  -1.323   6.812
  145    HB2  TYR  18           HB2      TYR  18  -2.030  -3.423   5.152
  146    HB3  TYR  18           HB1      TYR  18  -1.075  -2.359   6.174
  147    HD1  TYR  18           HD1      TYR  18  -4.334  -4.121   6.691
  148    HD2  TYR  18           HD2      TYR  18  -0.349  -3.505   8.029
  149    HE1  TYR  18           HE1      TYR  18  -4.759  -5.598   8.605
  150    HE2  TYR  18           HE2      TYR  18  -0.764  -4.974   9.955
  151    HH   TYR  18           HH       TYR  18  -2.661  -5.783  11.277
  152    H    LYS  19           HN       LYS  19  -1.644   0.211   6.695
  153    HA   LYS  19           HA       LYS  19  -1.244   1.390   4.040
  154    HB2  LYS  19           HB2      LYS  19  -3.138   2.490   5.337
  155    HB3  LYS  19           HB1      LYS  19  -1.928   3.029   6.484
  156    HG2  LYS  19           HG2      LYS  19  -1.662   3.680   3.586
  157    HG3  LYS  19           HG1      LYS  19  -2.743   4.609   4.616
  158    HD2  LYS  19           HD2      LYS  19  -0.797   4.995   6.145
  159    HD3  LYS  19           HD1      LYS  19   0.226   4.253   4.909
  160    HE2  LYS  19           HE2      LYS  19   0.313   6.625   4.634
  161    HE3  LYS  19           HE1      LYS  19  -0.606   5.932   3.298
  162    HZ1  LYS  19           HZ1      LYS  19  -2.642   6.591   4.367
  163    HZ2  LYS  19           HZ2      LYS  19  -1.637   7.938   4.198
  164    HZ3  LYS  19           HZ3      LYS  19  -1.802   7.191   5.705
  165    H    CYS  20           HN       CYS  20   0.698   2.523   3.795
  166    HA   CYS  20           HA       CYS  20   2.710   1.900   5.849
  167    HB2  CYS  20           HB2      CYS  20   3.010   1.099   3.473
  168    HB3  CYS  20           HB1      CYS  20   3.167   2.782   2.992
  169    HA   PRO  21           HA       PRO  21   2.157   6.328   6.699
  170    HB2  PRO  21           HB2      PRO  21   3.679   6.349   8.962
  171    HB3  PRO  21           HB1      PRO  21   1.992   5.825   8.929
  172    HG2  PRO  21           HG2      PRO  21   4.489   4.173   8.879
  173    HG3  PRO  21           HG1      PRO  21   2.993   3.914   9.797
  174    HD2  PRO  21           HD2      PRO  21   3.529   2.559   7.533
  175    HD3  PRO  21           HD1      PRO  21   1.877   3.036   7.974
  176    H    LYS  22           HN       LYS  22   4.969   4.562   5.980
  177    HA   LYS  22           HA       LYS  22   6.858   6.700   6.260
  178    HB2  LYS  22           HB2      LYS  22   7.106   4.132   4.685
  179    HB3  LYS  22           HB1      LYS  22   8.423   5.195   5.156
  180    HG2  LYS  22           HG2      LYS  22   6.649   3.758   7.109
  181    HG3  LYS  22           HG1      LYS  22   8.192   3.131   6.527
  182    HD2  LYS  22           HD2      LYS  22   9.319   5.123   7.414
  183    HD3  LYS  22           HD1      LYS  22   7.774   5.716   8.024
  184    HE2  LYS  22           HE2      LYS  22   9.091   4.633   9.783
  185    HE3  LYS  22           HE1      LYS  22   7.579   3.781   9.477
  186    HZ1  LYS  22           HZ1      LYS  22  10.233   2.986   8.391
  187    HZ2  LYS  22           HZ2      LYS  22   8.775   2.142   8.196
  188    HZ3  LYS  22           HZ3      LYS  22   9.474   2.273   9.730
  189    H    CYS  23           HN       CYS  23   5.530   4.987   3.425
  190    HA   CYS  23           HA       CYS  23   6.424   7.212   1.748
  191    HB2  CYS  23           HB2      CYS  23   6.223   5.626  -0.112
  192    HB3  CYS  23           HB1      CYS  23   7.196   4.941   1.177
  193    H    GLY  24           HN       GLY  24   3.581   5.411   2.739
  194    HA2  GLY  24           HA2      GLY  24   1.485   6.564   2.924
  195    HA3  GLY  24           HA1      GLY  24   1.927   7.517   1.516
  196    H    VAL  25           HN       VAL  25   2.528   4.118   1.519
  197    HA   VAL  25           HA       VAL  25   0.670   3.848  -0.701
  198    HB   VAL  25           HB       VAL  25   3.102   3.037  -0.725
  199   HG11  VAL  25          HG11      VAL  25   1.872   0.924   1.018
  200   HG12  VAL  25          HG12      VAL  25   3.352   1.858   1.272
  201   HG13  VAL  25          HG13      VAL  25   3.297   0.617   0.025
  202   HG21  VAL  25          HG21      VAL  25   0.901   1.147  -1.547
  203   HG22  VAL  25          HG22      VAL  25   2.557   1.122  -2.155
  204   HG23  VAL  25          HG23      VAL  25   1.517   2.508  -2.485
  205    H    ARG  26           HN       ARG  26  -0.728   1.993  -0.859
  206    HA   ARG  26           HA       ARG  26  -1.715   1.042   1.746
  207    HB2  ARG  26           HB2      ARG  26  -3.135   1.738  -0.809
  208    HB3  ARG  26           HB1      ARG  26  -3.862   0.624   0.338
  209    HG2  ARG  26           HG2      ARG  26  -2.948   3.368   1.131
  210    HG3  ARG  26           HG1      ARG  26  -4.561   3.053   0.487
  211    HD2  ARG  26           HD2      ARG  26  -4.903   1.391   2.292
  212    HD3  ARG  26           HD1      ARG  26  -3.332   1.834   2.958
  213    HE   ARG  26           HE       ARG  26  -4.611   4.202   2.842
  214   HH11  ARG  26          HH11      ARG  26  -5.564   1.081   4.110
  215   HH12  ARG  26          HH12      ARG  26  -6.505   1.753   5.405
  216   HH21  ARG  26          HH21      ARG  26  -5.859   5.094   4.539
  217   HH22  ARG  26          HH22      ARG  26  -6.668   4.033   5.652
  218    H    TYR  27           HN       TYR  27  -1.574  -1.083   2.100
  219    HA   TYR  27           HA       TYR  27  -1.441  -2.867  -0.227
  220    HB2  TYR  27           HB2      TYR  27  -0.042  -4.309   1.585
  221    HB3  TYR  27           HB1      TYR  27   0.689  -3.299   0.351
  222    HD1  TYR  27           HD1      TYR  27  -0.851  -2.615   3.680
  223    HD2  TYR  27           HD2      TYR  27   2.545  -2.220   1.162
  224    HE1  TYR  27           HE1      TYR  27   0.298  -1.340   5.430
  225    HE2  TYR  27           HE2      TYR  27   3.700  -0.947   2.917
  226    HH   TYR  27           HH       TYR  27   2.461  -0.747   6.126
  227    H    CYS  28           HN       CYS  28  -2.132  -4.985   0.108
  228    HA   CYS  28           HA       CYS  28  -4.619  -5.065   1.456
  229    HB2  CYS  28           HB2      CYS  28  -4.759  -7.353   0.525
  230    HB3  CYS  28           HB1      CYS  28  -4.324  -6.159  -0.690
  231    H    SER  29           HN       SER  29  -1.422  -6.026   2.303
  232    HA   SER  29           HA       SER  29  -1.992  -6.655   4.951
  233    HB2  SER  29           HB2      SER  29  -1.660  -9.135   4.909
  234    HB3  SER  29           HB1      SER  29  -3.154  -8.629   4.127
  235    HG   SER  29           HG       SER  29  -2.386  -9.191   2.221
  236    H    LEU  30           HN       LEU  30  -0.084  -8.449   5.633
  237    HA   LEU  30           HA       LEU  30   2.357  -7.124   5.260
  238    HB2  LEU  30           HB2      LEU  30   1.574  -9.789   6.342
  239    HB3  LEU  30           HB1      LEU  30   3.269  -9.430   6.086
  240    HG   LEU  30           HG       LEU  30   1.392  -7.843   7.849
  241   HD11  LEU  30          HD11      LEU  30   3.586  -9.781   8.557
  242   HD12  LEU  30          HD12      LEU  30   1.856 -10.044   8.772
  243   HD13  LEU  30          HD13      LEU  30   2.678  -8.790   9.699
  244   HD21  LEU  30          HD21      LEU  30   4.364  -7.620   7.393
  245   HD22  LEU  30          HD22      LEU  30   3.457  -6.753   8.632
  246   HD23  LEU  30          HD23      LEU  30   3.140  -6.440   6.927
  247    H    LYS  31           HN       LYS  31   0.725  -9.461   3.331
  248    HA   LYS  31           HA       LYS  31   2.750 -10.777   2.012
  249    HB2  LYS  31           HB2      LYS  31   0.173  -9.684   0.869
  250    HB3  LYS  31           HB1      LYS  31   1.201 -10.855   0.058
  251    HG2  LYS  31           HG2      LYS  31  -0.086 -11.309   2.734
  252    HG3  LYS  31           HG1      LYS  31  -0.778 -11.827   1.195
  253    HD2  LYS  31           HD2      LYS  31   1.419 -13.051   0.806
  254    HD3  LYS  31           HD1      LYS  31   1.758 -12.748   2.513
  255    HE2  LYS  31           HE2      LYS  31   0.788 -14.942   2.272
  256    HE3  LYS  31           HE1      LYS  31  -0.354 -13.884   3.094
  257    HZ1  LYS  31           HZ1      LYS  31  -1.489 -13.567   0.945
  258    HZ2  LYS  31           HZ2      LYS  31  -1.502 -15.179   1.455
  259    HZ3  LYS  31           HZ3      LYS  31  -0.437 -14.688   0.238
  260    H    CYS  32           HN       CYS  32   1.392  -7.599   1.286
  261    HA   CYS  32           HA       CYS  32   3.485  -7.174  -0.711
  262    HB2  CYS  32           HB2      CYS  32   0.931  -5.653  -0.155
  263    HB3  CYS  32           HB1      CYS  32   2.086  -5.250  -1.421
  264    H    TYR  33           HN       TYR  33   2.659  -6.384   2.484
  265    HA   TYR  33           HA       TYR  33   3.762  -3.816   2.734
  266    HB2  TYR  33           HB2      TYR  33   2.370  -5.088   4.460
  267    HB3  TYR  33           HB1      TYR  33   3.849  -5.942   4.887
  268    HD1  TYR  33           HD1      TYR  33   5.293  -3.045   4.183
  269    HD2  TYR  33           HD2      TYR  33   2.410  -4.498   6.948
  270    HE1  TYR  33           HE1      TYR  33   5.851  -1.205   5.719
  271    HE2  TYR  33           HE2      TYR  33   2.977  -2.679   8.501
  272    HH   TYR  33           HH       TYR  33   4.835   0.013   7.570
  273    H    LYS  34           HN       LYS  34   5.244  -6.963   3.575
  274    HA   LYS  34           HA       LYS  34   7.832  -5.679   3.785
  275    HB2  LYS  34           HB2      LYS  34   6.980  -8.541   4.233
  276    HB3  LYS  34           HB1      LYS  34   8.612  -7.939   4.492
  277    HG2  LYS  34           HG2      LYS  34   7.684  -6.323   6.137
  278    HG3  LYS  34           HG1      LYS  34   6.117  -7.111   5.955
  279    HD2  LYS  34           HD2      LYS  34   7.042  -9.201   6.760
  280    HD3  LYS  34           HD1      LYS  34   8.654  -8.485   6.844
  281    HE2  LYS  34           HE2      LYS  34   7.767  -6.839   8.482
  282    HE3  LYS  34           HE1      LYS  34   6.237  -7.711   8.470
  283    HZ1  LYS  34           HZ1      LYS  34   7.363  -9.657   9.308
  284    HZ2  LYS  34           HZ2      LYS  34   7.660  -8.345  10.332
  285    HZ3  LYS  34           HZ3      LYS  34   8.855  -8.865   9.256
  286    H    ASP  35           HN       ASP  35   6.938  -5.439   1.270
  287    HA   ASP  35           HA       ASP  35   8.422  -7.399  -0.324
  288    HB2  ASP  35           HB2      ASP  35   6.081  -7.067  -0.980
  289    HB3  ASP  35           HB1      ASP  35   6.345  -5.334  -1.111
  290    H    ALA  36           HN       ALA  36   9.995  -6.638  -1.793
  291    HA   ALA  36           HA       ALA  36  10.792  -3.827  -1.447
  292    HB1  ALA  36           HB1      ALA  36  12.272  -5.266  -0.126
  293    HB2  ALA  36           HB2      ALA  36  13.138  -4.484  -1.451
  294    HB3  ALA  36           HB3      ALA  36  12.673  -6.181  -1.580
  295    H    ALA  37           HN       ALA  37   9.415  -5.645  -3.540
  296    HA   ALA  37           HA       ALA  37  11.159  -5.100  -5.834
  297    HB1  ALA  37           HB1      ALA  37   9.604  -6.532  -7.092
  298    HB2  ALA  37           HB2      ALA  37   8.621  -6.725  -5.640
  299    HB3  ALA  37           HB3      ALA  37  10.264  -7.362  -5.683
  300    H    LYS  38           HN       LYS  38   7.864  -4.626  -4.674
  301    HA   LYS  38           HA       LYS  38   7.559  -2.397  -6.577
  302    HB2  LYS  38           HB2      LYS  38   5.494  -4.156  -5.265
  303    HB3  LYS  38           HB1      LYS  38   5.095  -2.693  -6.154
  304    HG2  LYS  38           HG2      LYS  38   6.128  -3.663  -8.162
  305    HG3  LYS  38           HG1      LYS  38   6.453  -5.143  -7.257
  306    HD2  LYS  38           HD2      LYS  38   4.074  -5.450  -6.878
  307    HD3  LYS  38           HD1      LYS  38   3.727  -3.947  -7.731
  308    HE2  LYS  38           HE2      LYS  38   4.725  -4.909  -9.769
  309    HE3  LYS  38           HE1      LYS  38   4.984  -6.421  -8.904
  310    HZ1  LYS  38           HZ1      LYS  38   2.334  -5.164  -9.354
  311    HZ2  LYS  38           HZ2      LYS  38   2.620  -6.668  -8.635
  312    HZ3  LYS  38           HZ3      LYS  38   2.965  -6.434 -10.273
  313    H    HIS  39           HN       HIS  39   7.230  -3.443  -3.231
  314    HA   HIS  39           HA       HIS  39   6.428  -0.817  -2.337
  315    HB2  HIS  39           HB2      HIS  39   5.844  -2.995  -1.142
  316    HB3  HIS  39           HB1      HIS  39   7.524  -3.053  -0.616
  317    HD1  HIS  39           HD1      HIS  39   7.340  -2.491   1.864
  318    HD2  HIS  39           HD2      HIS  39   5.177   0.092  -0.565
  319    HE1  HIS  39           HE1      HIS  39   6.485  -0.645   3.370
  320    H    VAL  40           HN       VAL  40   7.945   0.654  -2.911
  321    HA   VAL  40           HA       VAL  40  10.756  -0.024  -2.517
  322    HB   VAL  40           HB       VAL  40   9.554   2.327  -3.978
  323   HG11  VAL  40          HG11      VAL  40  11.778   2.832  -3.150
  324   HG12  VAL  40          HG12      VAL  40  11.817   2.621  -4.900
  325   HG13  VAL  40          HG13      VAL  40  12.400   1.336  -3.845
  326   HG21  VAL  40          HG21      VAL  40  10.182   1.143  -6.020
  327   HG22  VAL  40          HG22      VAL  40   9.044   0.193  -5.063
  328   HG23  VAL  40          HG23      VAL  40  10.759  -0.220  -5.061
  329    H    HIS  41           HN       HIS  41  11.821   0.626  -0.860
  330    HA   HIS  41           HA       HIS  41  11.152   3.189   0.392
  331    HB2  HIS  41           HB2      HIS  41  11.254   0.510   1.655
  332    HB3  HIS  41           HB1      HIS  41  11.995   1.832   2.546
  333    HD1  HIS  41           HD1      HIS  41   9.748   0.755   4.004
  334    HD2  HIS  41           HD2      HIS  41   9.128   3.474   0.915
  335    HE1  HIS  41           HE1      HIS  41   7.545   1.903   4.478
  336    H    LYS  42           HN       LYS  42  12.852   4.225   1.423
  337    HA   LYS  42           HA       LYS  42  15.527   3.116   0.902
  338    HB2  LYS  42           HB2      LYS  42  14.760   6.027   1.230
  339    HB3  LYS  42           HB1      LYS  42  16.368   5.415   0.878
  340    HG2  LYS  42           HG2      LYS  42  13.959   5.256  -0.919
  341    HG3  LYS  42           HG1      LYS  42  15.356   6.315  -1.118
  342    HD2  LYS  42           HD2      LYS  42  16.789   4.296  -1.322
  343    HD3  LYS  42           HD1      LYS  42  15.334   3.301  -1.258
  344    HE2  LYS  42           HE2      LYS  42  16.026   3.622  -3.558
  345    HE3  LYS  42           HE1      LYS  42  14.488   4.430  -3.265
  346    HZ1  LYS  42           HZ1      LYS  42  17.136   5.776  -3.284
  347    HZ2  LYS  42           HZ2      LYS  42  15.635   6.528  -3.093
  348    HZ3  LYS  42           HZ3      LYS  42  16.029   5.796  -4.563
  349    H    GLU  43           HN       GLU  43  14.208   5.660   2.984
  350    HA   GLU  43           HA       GLU  43  14.222   6.044   5.195
  351    HB2  GLU  43           HB2      GLU  43  14.455   3.042   5.348
  352    HB3  GLU  43           HB1      GLU  43  14.215   4.078   6.748
  353    HG2  GLU  43           HG2      GLU  43  12.143   4.944   5.576
  354    HG3  GLU  43           HG1      GLU  43  12.347   3.606   4.447
  355    H    SER  44           HN       SER  44  15.577   6.641   6.765
  356    HA   SER  44           HA       SER  44  17.483   7.059   7.901
  357    HB2  SER  44           HB2      SER  44  18.621   4.563   6.627
  358    HB3  SER  44           HB1      SER  44  19.229   5.389   8.061
  359    HG   SER  44           HG       SER  44  17.504   3.450   8.011
  360    H    GLU  45           HN       GLU  45  18.471   5.723   4.737
  361    HA   GLU  45           HA       GLU  45  19.842   6.511   3.111
  362    HB2  GLU  45           HB2      GLU  45  18.030   8.273   3.095
  363    HB3  GLU  45           HB1      GLU  45  19.073   9.261   4.107
  364    HG2  GLU  45           HG2      GLU  45  19.277   9.978   1.837
  365    HG3  GLU  45           HG1      GLU  45  20.784   9.205   2.327
  366    H    GLN  46           HN       GLN  46  21.396   5.591   4.811
  367    HA   GLN  46           HA       GLN  46  23.308   7.682   5.613
  368    HB2  GLN  46           HB2      GLN  46  22.927   4.945   6.849
  369    HB3  GLN  46           HB1      GLN  46  24.071   6.169   7.381
  370    HG2  GLN  46           HG2      GLN  46  22.213   7.644   7.971
  371    HG3  GLN  46           HG1      GLN  46  21.072   6.405   7.450
  372   HE21  GLN  46          HE21      GLN  46  20.861   4.514   8.682
  373   HE22  GLN  46          HE22      GLN  46  21.389   4.441  10.325
  Start of MODEL    7
    1    H1   GLY  -2           HT1      GLY  -2 -16.363  -4.891  -1.965
    2    H2   GLY  -2           HT2      GLY  -2 -16.008  -3.825  -0.702
    3    H3   GLY  -2           HT3      GLY  -2 -15.609  -3.414  -2.291
    4    HA2  GLY  -2           HA1      GLY  -2 -18.348  -3.734  -1.219
    5    HA3  GLY  -2           HA2      GLY  -2 -17.563  -2.208  -1.581
    6    HA   PRO  -1           HA       PRO  -1 -19.346  -4.320  -5.523
    7    HB2  PRO  -1           HB2      PRO  -1 -22.133  -3.858  -4.889
    8    HB3  PRO  -1           HB1      PRO  -1 -21.334  -5.374  -5.306
    9    HG2  PRO  -1           HG2      PRO  -1 -22.341  -4.822  -2.826
   10    HG3  PRO  -1           HG1      PRO  -1 -21.005  -5.946  -3.120
   11    HD2  PRO  -1           HD2      PRO  -1 -20.929  -3.120  -2.151
   12    HD3  PRO  -1           HD1      PRO  -1 -19.949  -4.516  -1.654
   13    H    HIS   0           HN       HIS   0 -18.566  -2.493  -6.523
   14    HA   HIS   0           HA       HIS   0 -18.613  -0.514  -7.628
   15    HB2  HIS   0           HB2      HIS   0 -21.576  -0.964  -7.302
   16    HB3  HIS   0           HB1      HIS   0 -20.937   0.449  -8.132
   17    HD1  HIS   0           HD1      HIS   0 -20.716   0.171 -10.568
   18    HD2  HIS   0           HD2      HIS   0 -20.501  -3.473  -8.582
   19    HE1  HIS   0           HE1      HIS   0 -20.554  -1.571 -12.371
   20    HE2  HIS   0           HE2      HIS   0 -20.255  -3.748 -11.141
   21    H    MET   1           HN       MET   1 -17.721  -0.102  -5.272
   22    HA   MET   1           HA       MET   1 -19.231   2.174  -4.161
   23    HB2  MET   1           HB2      MET   1 -17.516   0.140  -2.737
   24    HB3  MET   1           HB1      MET   1 -18.056   1.638  -1.993
   25    HG2  MET   1           HG2      MET   1 -20.364   0.967  -2.240
   26    HG3  MET   1           HG1      MET   1 -19.870  -0.500  -3.083
   27    HE1  MET   1           HE1      MET   1 -18.868   0.312   1.354
   28    HE2  MET   1           HE2      MET   1 -19.742   1.457   0.336
   29    HE3  MET   1           HE3      MET   1 -18.045   1.109   0.014
   30    H    VAL   2           HN       VAL   2 -15.928   0.824  -4.106
   31    HA   VAL   2           HA       VAL   2 -13.917   1.852  -3.820
   32    HB   VAL   2           HB       VAL   2 -13.211   3.238  -5.739
   33   HG11  VAL   2          HG11      VAL   2 -13.567   1.513  -7.452
   34   HG12  VAL   2          HG12      VAL   2 -14.799   0.772  -6.431
   35   HG13  VAL   2          HG13      VAL   2 -13.121   0.828  -5.889
   36   HG21  VAL   2          HG21      VAL   2 -14.744   3.629  -7.609
   37   HG22  VAL   2          HG22      VAL   2 -15.261   4.489  -6.157
   38   HG23  VAL   2          HG23      VAL   2 -16.081   3.006  -6.643
   39    H    SER   3           HN       SER   3 -15.720   2.978  -2.098
   40    HA   SER   3           HA       SER   3 -14.552   5.630  -1.748
   41    HB2  SER   3           HB2      SER   3 -17.518   5.110  -1.399
   42    HB3  SER   3           HB1      SER   3 -16.683   6.651  -1.220
   43    HG   SER   3           HG       SER   3 -17.012   5.146  -3.612
   44    H    SER   4           HN       SER   4 -14.219   6.143   0.415
   45    HA   SER   4           HA       SER   4 -13.704   5.704   2.579
   46    HB2  SER   4           HB2      SER   4 -16.194   3.980   2.486
   47    HB3  SER   4           HB1      SER   4 -15.356   4.488   3.952
   48    HG   SER   4           HG       SER   4 -16.465   6.256   3.848
   49    H    ALA   5           HN       ALA   5 -12.880   3.939   0.306
   50    HA   ALA   5           HA       ALA   5 -11.342   2.073   1.799
   51    HB1  ALA   5           HB1      ALA   5 -13.430   0.779   1.725
   52    HB2  ALA   5           HB2      ALA   5 -12.167   0.013   0.760
   53    HB3  ALA   5           HB3      ALA   5 -13.454   0.923  -0.033
   54    H    VAL   6           HN       VAL   6  -9.999   0.752   0.361
   55    HA   VAL   6           HA       VAL   6  -9.461   2.014  -2.194
   56    HB   VAL   6           HB       VAL   6  -8.398   3.405  -0.387
   57   HG11  VAL   6          HG11      VAL   6  -7.839   1.619   1.167
   58   HG12  VAL   6          HG12      VAL   6  -6.410   2.557   0.737
   59   HG13  VAL   6          HG13      VAL   6  -6.671   0.970   0.015
   60   HG21  VAL   6          HG21      VAL   6  -7.563   3.462  -2.640
   61   HG22  VAL   6          HG22      VAL   6  -6.540   2.061  -2.325
   62   HG23  VAL   6          HG23      VAL   6  -6.232   3.585  -1.492
   63    H    LYS   7           HN       LYS   7  -7.914   0.774  -3.447
   64    HA   LYS   7           HA       LYS   7  -7.797  -2.018  -2.588
   65    HB2  LYS   7           HB2      LYS   7  -7.059  -0.837  -5.271
   66    HB3  LYS   7           HB1      LYS   7  -7.236  -2.538  -4.881
   67    HG2  LYS   7           HG2      LYS   7  -9.488  -0.578  -4.720
   68    HG3  LYS   7           HG1      LYS   7  -9.125  -1.561  -6.142
   69    HD2  LYS   7           HD2      LYS   7  -9.228  -3.565  -4.579
   70    HD3  LYS   7           HD1      LYS   7  -9.963  -2.468  -3.406
   71    HE2  LYS   7           HE2      LYS   7 -11.697  -3.603  -4.598
   72    HE3  LYS   7           HE1      LYS   7 -11.681  -1.910  -5.079
   73    HZ1  LYS   7           HZ1      LYS   7 -10.513  -4.162  -6.618
   74    HZ2  LYS   7           HZ2      LYS   7 -10.466  -2.534  -7.079
   75    HZ3  LYS   7           HZ3      LYS   7 -11.945  -3.345  -6.991
   76    H    CYS   8           HN       CYS   8  -5.820  -3.232  -2.881
   77    HA   CYS   8           HA       CYS   8  -3.568  -2.030  -1.694
   78    HB2  CYS   8           HB2      CYS   8  -4.148  -4.465  -1.684
   79    HB3  CYS   8           HB1      CYS   8  -3.664  -4.545  -3.366
   80    H    GLY   9           HN       GLY   9  -2.133  -0.670  -2.583
   81    HA2  GLY   9           HA2      GLY   9  -2.156  -0.238  -5.435
   82    HA3  GLY   9           HA1      GLY   9  -1.219   0.658  -4.253
   83    H    ILE  10           HN       ILE  10  -0.704  -2.572  -3.713
   84    HA   ILE  10           HA       ILE  10   1.843  -2.405  -5.146
   85    HB   ILE  10           HB       ILE  10   1.081  -4.232  -2.865
   86   HG12  ILE  10          HG12      ILE  10   2.568  -1.606  -2.961
   87   HG13  ILE  10          HG11      ILE  10   1.096  -1.976  -2.071
   88   HG21  ILE  10          HG21      ILE  10   3.772  -3.648  -4.103
   89   HG22  ILE  10          HG22      ILE  10   2.850  -5.138  -4.307
   90   HG23  ILE  10          HG23      ILE  10   3.473  -4.696  -2.716
   91   HD11  ILE  10          HD11      ILE  10   3.213  -1.807  -0.729
   92   HD12  ILE  10          HD12      ILE  10   3.706  -3.315  -1.499
   93   HD13  ILE  10          HD13      ILE  10   2.260  -3.272  -0.504
   94    H    CYS  11           HN       CYS  11  -0.913  -4.565  -4.593
   95    HA   CYS  11           HA       CYS  11   0.065  -6.177  -6.854
   96    HB2  CYS  11           HB2      CYS  11  -0.914  -8.142  -5.888
   97    HB3  CYS  11           HB1      CYS  11   0.075  -7.361  -4.659
   98    H    ARG  12           HN       ARG  12  -2.413  -4.219  -5.664
   99    HA   ARG  12           HA       ARG  12  -4.388  -3.484  -6.471
  100    HB2  ARG  12           HB2      ARG  12  -3.512  -4.819  -9.035
  101    HB3  ARG  12           HB1      ARG  12  -4.808  -3.646  -8.884
  102    HG2  ARG  12           HG2      ARG  12  -1.915  -3.098  -8.264
  103    HG3  ARG  12           HG1      ARG  12  -2.718  -2.700  -9.783
  104    HD2  ARG  12           HD2      ARG  12  -4.270  -1.242  -8.573
  105    HD3  ARG  12           HD1      ARG  12  -3.462  -1.641  -7.057
  106    HE   ARG  12           HE       ARG  12  -1.563  -0.668  -8.879
  107   HH11  ARG  12          HH11      ARG  12  -4.300   0.493  -7.031
  108   HH12  ARG  12          HH12      ARG  12  -3.660   2.097  -6.866
  109   HH21  ARG  12          HH21      ARG  12  -0.733   1.442  -8.663
  110   HH22  ARG  12          HH22      ARG  12  -1.644   2.637  -7.791
  111    H    GLY  13           HN       GLY  13  -4.123  -6.256  -5.327
  112    HA2  GLY  13           HA2      GLY  13  -6.032  -7.841  -6.805
  113    HA3  GLY  13           HA1      GLY  13  -5.246  -8.287  -5.299
  114    H    VAL  14           HN       VAL  14  -6.017  -7.124  -3.337
  115    HA   VAL  14           HA       VAL  14  -8.922  -6.694  -3.535
  116    HB   VAL  14           HB       VAL  14  -9.173  -7.571  -1.295
  117   HG11  VAL  14          HG11      VAL  14  -9.208  -9.191  -3.111
  118   HG12  VAL  14          HG12      VAL  14  -8.510  -9.902  -1.654
  119   HG13  VAL  14          HG13      VAL  14  -7.460  -9.394  -2.976
  120   HG21  VAL  14          HG21      VAL  14  -7.124  -6.815  -0.275
  121   HG22  VAL  14          HG22      VAL  14  -6.175  -7.880  -1.311
  122   HG23  VAL  14          HG23      VAL  14  -7.247  -8.566  -0.090
  123    H    ASP  15           HN       ASP  15  -9.462  -5.681  -1.091
  124    HA   ASP  15           HA       ASP  15  -8.795  -2.993  -1.234
  125    HB2  ASP  15           HB2      ASP  15  -9.657  -2.912   1.137
  126    HB3  ASP  15           HB1      ASP  15 -10.749  -3.635  -0.037
  127    H    GLY  16           HN       GLY  16  -7.351  -1.706  -0.229
  128    HA2  GLY  16           HA2      GLY  16  -5.009  -3.017   0.956
  129    HA3  GLY  16           HA1      GLY  16  -5.076  -1.367   0.345
  130    H    LYS  17           HN       LYS  17  -6.400  -3.460   2.859
  131    HA   LYS  17           HA       LYS  17  -7.527  -1.390   4.397
  132    HB2  LYS  17           HB2      LYS  17  -7.460  -3.150   6.253
  133    HB3  LYS  17           HB1      LYS  17  -8.381  -3.522   4.803
  134    HG2  LYS  17           HG2      LYS  17  -6.842  -5.079   4.064
  135    HG3  LYS  17           HG1      LYS  17  -5.544  -4.417   5.052
  136    HD2  LYS  17           HD2      LYS  17  -6.593  -5.239   7.058
  137    HD3  LYS  17           HD1      LYS  17  -7.994  -5.795   6.138
  138    HE2  LYS  17           HE2      LYS  17  -6.488  -7.331   4.894
  139    HE3  LYS  17           HE1      LYS  17  -5.170  -6.831   5.952
  140    HZ1  LYS  17           HZ1      LYS  17  -7.672  -8.192   6.784
  141    HZ2  LYS  17           HZ2      LYS  17  -6.479  -7.641   7.845
  142    HZ3  LYS  17           HZ3      LYS  17  -6.123  -8.870   6.744
  143    H    TYR  18           HN       TYR  18  -4.297  -2.715   4.341
  144    HA   TYR  18           HA       TYR  18  -3.569  -1.198   6.734
  145    HB2  TYR  18           HB2      TYR  18  -2.277  -3.403   5.177
  146    HB3  TYR  18           HB1      TYR  18  -1.276  -2.349   6.154
  147    HD1  TYR  18           HD1      TYR  18  -4.424  -4.320   6.503
  148    HD2  TYR  18           HD2      TYR  18  -0.793  -3.034   8.288
  149    HE1  TYR  18           HE1      TYR  18  -4.915  -5.700   8.471
  150    HE2  TYR  18           HE2      TYR  18  -1.272  -4.409  10.269
  151    HH   TYR  18           HH       TYR  18  -3.179  -5.415  11.394
  152    H    LYS  19           HN       LYS  19  -1.856   0.349   6.682
  153    HA   LYS  19           HA       LYS  19  -1.226   1.387   4.008
  154    HB2  LYS  19           HB2      LYS  19  -3.166   2.591   5.156
  155    HB3  LYS  19           HB1      LYS  19  -1.998   3.161   6.330
  156    HG2  LYS  19           HG2      LYS  19  -1.574   3.665   3.421
  157    HG3  LYS  19           HG1      LYS  19  -2.703   4.655   4.340
  158    HD2  LYS  19           HD2      LYS  19  -0.810   5.059   5.969
  159    HD3  LYS  19           HD1      LYS  19   0.251   4.316   4.765
  160    HE2  LYS  19           HE2      LYS  19   0.306   6.705   4.505
  161    HE3  LYS  19           HE1      LYS  19  -0.508   5.975   3.124
  162    HZ1  LYS  19           HZ1      LYS  19  -2.619   6.603   4.024
  163    HZ2  LYS  19           HZ2      LYS  19  -1.634   7.974   3.976
  164    HZ3  LYS  19           HZ3      LYS  19  -1.906   7.185   5.443
  165    H    CYS  20           HN       CYS  20   0.734   2.492   3.831
  166    HA   CYS  20           HA       CYS  20   2.638   1.933   5.997
  167    HB2  CYS  20           HB2      CYS  20   3.127   1.105   3.693
  168    HB3  CYS  20           HB1      CYS  20   3.200   2.777   3.147
  169    HA   PRO  21           HA       PRO  21   2.179   6.359   6.817
  170    HB2  PRO  21           HB2      PRO  21   3.602   6.338   9.129
  171    HB3  PRO  21           HB1      PRO  21   1.920   5.805   9.030
  172    HG2  PRO  21           HG2      PRO  21   4.428   4.161   9.019
  173    HG3  PRO  21           HG1      PRO  21   2.923   3.895   9.918
  174    HD2  PRO  21           HD2      PRO  21   3.476   2.557   7.648
  175    HD3  PRO  21           HD1      PRO  21   1.823   3.037   8.076
  176    H    LYS  22           HN       LYS  22   4.800   4.660   5.737
  177    HA   LYS  22           HA       LYS  22   6.728   6.818   6.174
  178    HB2  LYS  22           HB2      LYS  22   7.138   4.109   4.900
  179    HB3  LYS  22           HB1      LYS  22   8.398   5.258   5.328
  180    HG2  LYS  22           HG2      LYS  22   6.534   3.974   7.306
  181    HG3  LYS  22           HG1      LYS  22   8.149   3.375   6.926
  182    HD2  LYS  22           HD2      LYS  22   7.631   6.178   7.901
  183    HD3  LYS  22           HD1      LYS  22   7.952   4.831   8.992
  184    HE2  LYS  22           HE2      LYS  22   9.792   5.667   6.756
  185    HE3  LYS  22           HE1      LYS  22   9.958   6.213   8.424
  186    HZ1  LYS  22           HZ1      LYS  22   9.949   3.355   7.647
  187    HZ2  LYS  22           HZ2      LYS  22  10.377   4.017   9.140
  188    HZ3  LYS  22           HZ3      LYS  22  11.366   4.265   7.790
  189    H    CYS  23           HN       CYS  23   5.629   4.815   3.421
  190    HA   CYS  23           HA       CYS  23   6.495   6.951   1.620
  191    HB2  CYS  23           HB2      CYS  23   6.096   5.314  -0.202
  192    HB3  CYS  23           HB1      CYS  23   7.252   4.738   0.991
  193    H    GLY  24           HN       GLY  24   3.643   5.337   2.776
  194    HA2  GLY  24           HA2      GLY  24   1.562   6.495   2.856
  195    HA3  GLY  24           HA1      GLY  24   2.028   7.370   1.405
  196    H    VAL  25           HN       VAL  25   2.694   4.017   1.461
  197    HA   VAL  25           HA       VAL  25   0.878   3.652  -0.759
  198    HB   VAL  25           HB       VAL  25   3.296   2.756  -0.602
  199   HG11  VAL  25          HG11      VAL  25   3.201   1.656   1.522
  200   HG12  VAL  25          HG12      VAL  25   3.451   0.441   0.271
  201   HG13  VAL  25          HG13      VAL  25   1.856   0.646   0.996
  202   HG21  VAL  25          HG21      VAL  25   1.778   2.253  -2.433
  203   HG22  VAL  25          HG22      VAL  25   1.075   0.930  -1.502
  204   HG23  VAL  25          HG23      VAL  25   2.760   0.849  -2.020
  205    H    ARG  26           HN       ARG  26  -0.530   1.817  -0.894
  206    HA   ARG  26           HA       ARG  26  -1.682   1.021   1.692
  207    HB2  ARG  26           HB2      ARG  26  -2.952   1.647  -0.964
  208    HB3  ARG  26           HB1      ARG  26  -3.769   0.611   0.198
  209    HG2  ARG  26           HG2      ARG  26  -2.823   3.390   0.839
  210    HG3  ARG  26           HG1      ARG  26  -4.444   3.017   0.245
  211    HD2  ARG  26           HD2      ARG  26  -4.699   1.445   2.161
  212    HD3  ARG  26           HD1      ARG  26  -3.156   2.027   2.782
  213    HE   ARG  26           HE       ARG  26  -4.418   4.311   2.646
  214   HH11  ARG  26          HH11      ARG  26  -5.726   1.211   3.603
  215   HH12  ARG  26          HH12      ARG  26  -6.871   1.892   4.714
  216   HH21  ARG  26          HH21      ARG  26  -5.934   5.216   4.105
  217   HH22  ARG  26          HH22      ARG  26  -6.995   4.174   4.996
  218    H    TYR  27           HN       TYR  27  -1.651  -1.103   2.124
  219    HA   TYR  27           HA       TYR  27  -1.416  -2.942  -0.148
  220    HB2  TYR  27           HB2      TYR  27  -0.069  -4.348   1.728
  221    HB3  TYR  27           HB1      TYR  27   0.696  -3.351   0.505
  222    HD1  TYR  27           HD1      TYR  27  -0.901  -2.701   3.826
  223    HD2  TYR  27           HD2      TYR  27   2.489  -2.195   1.314
  224    HE1  TYR  27           HE1      TYR  27   0.212  -1.380   5.580
  225    HE2  TYR  27           HE2      TYR  27   3.608  -0.898   3.073
  226    HH   TYR  27           HH       TYR  27   2.372  -0.750   6.282
  227    H    CYS  28           HN       CYS  28  -2.252  -4.937   0.085
  228    HA   CYS  28           HA       CYS  28  -4.684  -5.038   1.509
  229    HB2  CYS  28           HB2      CYS  28  -4.918  -7.263   0.485
  230    HB3  CYS  28           HB1      CYS  28  -4.438  -6.052  -0.693
  231    H    SER  29           HN       SER  29  -1.477  -6.114   2.238
  232    HA   SER  29           HA       SER  29  -2.154  -6.856   4.868
  233    HB2  SER  29           HB2      SER  29  -1.684  -9.288   4.713
  234    HB3  SER  29           HB1      SER  29  -3.115  -8.835   3.799
  235    HG   SER  29           HG       SER  29  -2.182  -9.546   2.073
  236    H    LEU  30           HN       LEU  30  -0.186  -8.622   5.523
  237    HA   LEU  30           HA       LEU  30   2.143  -6.997   5.485
  238    HB2  LEU  30           HB2      LEU  30   1.442  -8.541   7.338
  239    HB3  LEU  30           HB1      LEU  30   1.890  -9.890   6.313
  240    HG   LEU  30           HG       LEU  30   4.231  -8.954   6.264
  241   HD11  LEU  30          HD11      LEU  30   3.147  -7.218   8.476
  242   HD12  LEU  30          HD12      LEU  30   3.704  -6.663   6.898
  243   HD13  LEU  30          HD13      LEU  30   4.846  -7.383   8.033
  244   HD21  LEU  30          HD21      LEU  30   3.593 -10.838   7.687
  245   HD22  LEU  30          HD22      LEU  30   3.109  -9.716   8.958
  246   HD23  LEU  30          HD23      LEU  30   4.801  -9.819   8.471
  247    H    LYS  31           HN       LYS  31   0.889  -9.427   3.420
  248    HA   LYS  31           HA       LYS  31   3.273 -10.543   2.413
  249    HB2  LYS  31           HB2      LYS  31   0.596 -10.189   1.054
  250    HB3  LYS  31           HB1      LYS  31   1.899 -11.210   0.460
  251    HG2  LYS  31           HG2      LYS  31   0.432 -11.557   3.068
  252    HG3  LYS  31           HG1      LYS  31   0.198 -12.518   1.606
  253    HD2  LYS  31           HD2      LYS  31   2.525 -13.279   1.743
  254    HD3  LYS  31           HD1      LYS  31   2.749 -12.326   3.209
  255    HE2  LYS  31           HE2      LYS  31   0.997 -13.653   4.314
  256    HE3  LYS  31           HE1      LYS  31   0.827 -14.623   2.852
  257    HZ1  LYS  31           HZ1      LYS  31   2.229 -15.716   4.486
  258    HZ2  LYS  31           HZ2      LYS  31   3.288 -14.397   4.498
  259    HZ3  LYS  31           HZ3      LYS  31   3.120 -15.333   3.100
  260    H    CYS  32           HN       CYS  32   1.402  -7.721   1.411
  261    HA   CYS  32           HA       CYS  32   3.394  -7.077  -0.608
  262    HB2  CYS  32           HB2      CYS  32   0.776  -5.765   0.140
  263    HB3  CYS  32           HB1      CYS  32   1.852  -5.162  -1.117
  264    H    TYR  33           HN       TYR  33   2.522  -6.244   2.615
  265    HA   TYR  33           HA       TYR  33   3.693  -3.726   2.900
  266    HB2  TYR  33           HB2      TYR  33   2.306  -5.053   4.594
  267    HB3  TYR  33           HB1      TYR  33   3.791  -5.906   4.989
  268    HD1  TYR  33           HD1      TYR  33   5.244  -2.997   4.396
  269    HD2  TYR  33           HD2      TYR  33   2.311  -4.529   7.066
  270    HE1  TYR  33           HE1      TYR  33   5.786  -1.214   6.010
  271    HE2  TYR  33           HE2      TYR  33   2.857  -2.768   8.689
  272    HH   TYR  33           HH       TYR  33   4.960  -0.111   7.877
  273    H    LYS  34           HN       LYS  34   5.132  -6.907   3.619
  274    HA   LYS  34           HA       LYS  34   7.766  -5.700   3.737
  275    HB2  LYS  34           HB2      LYS  34   6.874  -8.549   4.187
  276    HB3  LYS  34           HB1      LYS  34   8.518  -7.965   4.402
  277    HG2  LYS  34           HG2      LYS  34   7.684  -6.389   6.119
  278    HG3  LYS  34           HG1      LYS  34   6.085  -7.110   5.952
  279    HD2  LYS  34           HD2      LYS  34   7.270  -8.044   7.870
  280    HD3  LYS  34           HD1      LYS  34   6.981  -9.277   6.643
  281    HE2  LYS  34           HE2      LYS  34   9.245  -9.415   7.606
  282    HE3  LYS  34           HE1      LYS  34   9.268  -9.098   5.874
  283    HZ1  LYS  34           HZ1      LYS  34   9.691  -6.774   6.329
  284    HZ2  LYS  34           HZ2      LYS  34  10.864  -7.726   7.078
  285    HZ3  LYS  34           HZ3      LYS  34   9.615  -7.049   7.993
  286    H    ASP  35           HN       ASP  35   6.751  -5.441   1.226
  287    HA   ASP  35           HA       ASP  35   8.305  -7.367  -0.342
  288    HB2  ASP  35           HB2      ASP  35   6.001  -7.195  -1.095
  289    HB3  ASP  35           HB1      ASP  35   6.115  -5.440  -1.157
  290    H    ALA  36           HN       ALA  36   9.966  -6.623  -1.622
  291    HA   ALA  36           HA       ALA  36  10.583  -3.748  -1.444
  292    HB1  ALA  36           HB1      ALA  36  12.572  -6.010  -1.271
  293    HB2  ALA  36           HB2      ALA  36  12.032  -5.007   0.075
  294    HB3  ALA  36           HB3      ALA  36  12.953  -4.290  -1.247
  295    H    ALA  37           HN       ALA  37   9.292  -5.453  -3.513
  296    HA   ALA  37           HA       ALA  37  11.197  -5.019  -5.721
  297    HB1  ALA  37           HB1      ALA  37   8.817  -6.869  -5.573
  298    HB2  ALA  37           HB2      ALA  37  10.514  -7.345  -5.509
  299    HB3  ALA  37           HB3      ALA  37   9.849  -6.649  -6.986
  300    H    LYS  38           HN       LYS  38   7.825  -4.756  -4.723
  301    HA   LYS  38           HA       LYS  38   7.408  -2.669  -6.755
  302    HB2  LYS  38           HB2      LYS  38   5.415  -4.347  -5.225
  303    HB3  LYS  38           HB1      LYS  38   4.989  -3.076  -6.365
  304    HG2  LYS  38           HG2      LYS  38   5.972  -4.297  -8.180
  305    HG3  LYS  38           HG1      LYS  38   6.599  -5.518  -7.072
  306    HD2  LYS  38           HD2      LYS  38   4.314  -6.130  -6.464
  307    HD3  LYS  38           HD1      LYS  38   3.688  -4.914  -7.578
  308    HE2  LYS  38           HE2      LYS  38   3.626  -7.150  -8.568
  309    HE3  LYS  38           HE1      LYS  38   4.712  -6.082  -9.453
  310    HZ1  LYS  38           HZ1      LYS  38   6.587  -7.099  -8.359
  311    HZ2  LYS  38           HZ2      LYS  38   5.653  -8.297  -9.103
  312    HZ3  LYS  38           HZ3      LYS  38   5.569  -8.080  -7.430
  313    H    HIS  39           HN       HIS  39   7.107  -3.497  -3.341
  314    HA   HIS  39           HA       HIS  39   6.392  -0.756  -2.661
  315    HB2  HIS  39           HB2      HIS  39   5.388  -2.636  -1.420
  316    HB3  HIS  39           HB1      HIS  39   6.984  -3.137  -0.887
  317    HD1  HIS  39           HD1      HIS  39   6.584  -2.756   1.612
  318    HD2  HIS  39           HD2      HIS  39   5.826   0.595  -0.726
  319    HE1  HIS  39           HE1      HIS  39   6.294  -0.827   3.209
  320    H    VAL  40           HN       VAL  40   8.245   0.354  -3.386
  321    HA   VAL  40           HA       VAL  40  10.766  -0.469  -2.151
  322    HB   VAL  40           HB       VAL  40  10.403   1.401  -4.491
  323   HG11  VAL  40          HG11      VAL  40  12.473   1.783  -3.267
  324   HG12  VAL  40          HG12      VAL  40  12.806   1.049  -4.835
  325   HG13  VAL  40          HG13      VAL  40  12.867   0.068  -3.372
  326   HG21  VAL  40          HG21      VAL  40   9.656  -0.841  -5.072
  327   HG22  VAL  40          HG22      VAL  40  11.162  -1.518  -4.455
  328   HG23  VAL  40          HG23      VAL  40  11.183  -0.472  -5.873
  329    H    HIS  41           HN       HIS  41  11.520   0.537  -0.552
  330    HA   HIS  41           HA       HIS  41  10.717   3.289   0.021
  331    HB2  HIS  41           HB2      HIS  41  11.616   0.980   1.647
  332    HB3  HIS  41           HB1      HIS  41  12.164   2.565   2.180
  333    HD1  HIS  41           HD1      HIS  41  10.375   1.318   4.141
  334    HD2  HIS  41           HD2      HIS  41   8.904   3.390   0.863
  335    HE1  HIS  41           HE1      HIS  41   8.087   2.168   4.806
  336    H    LYS  42           HN       LYS  42  12.419   4.678   0.976
  337    HA   LYS  42           HA       LYS  42  14.879   4.501  -0.589
  338    HB2  LYS  42           HB2      LYS  42  13.835   6.713   1.190
  339    HB3  LYS  42           HB1      LYS  42  15.257   6.812   0.162
  340    HG2  LYS  42           HG2      LYS  42  13.893   6.604  -1.818
  341    HG3  LYS  42           HG1      LYS  42  12.449   6.369  -0.831
  342    HD2  LYS  42           HD2      LYS  42  14.166   8.851  -0.869
  343    HD3  LYS  42           HD1      LYS  42  12.615   8.667  -1.690
  344    HE2  LYS  42           HE2      LYS  42  11.521   8.297   0.470
  345    HE3  LYS  42           HE1      LYS  42  13.069   8.480   1.287
  346    HZ1  LYS  42           HZ1      LYS  42  11.701  10.578  -0.304
  347    HZ2  LYS  42           HZ2      LYS  42  13.188  10.753   0.481
  348    HZ3  LYS  42           HZ3      LYS  42  11.780  10.511   1.384
  349    H    GLU  43           HN       GLU  43  14.002   2.987   1.939
  350    HA   GLU  43           HA       GLU  43  16.175   3.665   3.765
  351    HB2  GLU  43           HB2      GLU  43  14.074   1.508   4.029
  352    HB3  GLU  43           HB1      GLU  43  15.152   2.086   5.290
  353    HG2  GLU  43           HG2      GLU  43  14.053   4.277   5.205
  354    HG3  GLU  43           HG1      GLU  43  12.951   3.661   3.974
  355    H    SER  44           HN       SER  44  16.044   2.123   1.000
  356    HA   SER  44           HA       SER  44  17.149  -0.433   1.600
  357    HB2  SER  44           HB2      SER  44  17.159   1.104  -1.008
  358    HB3  SER  44           HB1      SER  44  17.452  -0.625  -0.813
  359    HG   SER  44           HG       SER  44  15.339  -0.475  -1.344
  360    H    GLU  45           HN       GLU  45  18.933  -0.014   2.929
  361    HA   GLU  45           HA       GLU  45  21.132   1.591   2.043
  362    HB2  GLU  45           HB2      GLU  45  21.037  -0.546   4.188
  363    HB3  GLU  45           HB1      GLU  45  22.313   0.644   3.974
  364    HG2  GLU  45           HG2      GLU  45  20.748   2.437   4.475
  365    HG3  GLU  45           HG1      GLU  45  19.446   1.261   4.654
  366    H    GLN  46           HN       GLN  46  21.312   0.677  -0.080
  367    HA   GLN  46           HA       GLN  46  23.178  -1.525  -0.208
  368    HB2  GLN  46           HB2      GLN  46  21.075  -2.736  -0.273
  369    HB3  GLN  46           HB1      GLN  46  20.458  -1.669  -1.525
  370    HG2  GLN  46           HG2      GLN  46  22.259  -2.495  -3.025
  371    HG3  GLN  46           HG1      GLN  46  22.702  -3.657  -1.774
  372   HE21  GLN  46          HE21      GLN  46  21.381  -5.412  -1.392
  373   HE22  GLN  46          HE22      GLN  46  20.095  -5.866  -2.455
  Start of MODEL    8
    1    H1   GLY  -2           HT1      GLY  -2  -9.935   1.605  14.813
    2    H2   GLY  -2           HT2      GLY  -2  -8.985   0.924  13.595
    3    H3   GLY  -2           HT3      GLY  -2  -9.345   0.031  14.985
    4    HA2  GLY  -2           HA1      GLY  -2 -10.697  -0.728  13.156
    5    HA3  GLY  -2           HA2      GLY  -2 -11.688   0.015  14.405
    6    HA   PRO  -1           HA       PRO  -1 -11.819   2.345  10.166
    7    HB2  PRO  -1           HB2      PRO  -1 -13.478   0.841   8.634
    8    HB3  PRO  -1           HB1      PRO  -1 -11.720   0.672   8.593
    9    HG2  PRO  -1           HG2      PRO  -1 -13.752  -0.996  10.021
   10    HG3  PRO  -1           HG1      PRO  -1 -12.307  -1.510   9.128
   11    HD2  PRO  -1           HD2      PRO  -1 -12.389  -1.349  11.838
   12    HD3  PRO  -1           HD1      PRO  -1 -10.907  -1.081  10.900
   13    H    HIS   0           HN       HIS   0 -13.389   3.839   9.947
   14    HA   HIS   0           HA       HIS   0 -15.889   3.387  11.428
   15    HB2  HIS   0           HB2      HIS   0 -14.494   5.959  10.661
   16    HB3  HIS   0           HB1      HIS   0 -16.072   5.884  11.436
   17    HD1  HIS   0           HD1      HIS   0 -13.361   7.159  12.609
   18    HD2  HIS   0           HD2      HIS   0 -15.100   3.536  13.673
   19    HE1  HIS   0           HE1      HIS   0 -12.533   6.664  14.927
   20    HE2  HIS   0           HE2      HIS   0 -13.729   4.558  15.610
   21    H    MET   1           HN       MET   1 -14.576   3.859   8.316
   22    HA   MET   1           HA       MET   1 -17.289   4.140   7.220
   23    HB2  MET   1           HB2      MET   1 -14.746   5.382   6.162
   24    HB3  MET   1           HB1      MET   1 -16.278   5.370   5.302
   25    HG2  MET   1           HG2      MET   1 -17.287   6.639   7.163
   26    HG3  MET   1           HG1      MET   1 -15.701   6.719   7.926
   27    HE1  MET   1           HE1      MET   1 -16.555   7.018   4.036
   28    HE2  MET   1           HE2      MET   1 -16.835   8.758   3.947
   29    HE3  MET   1           HE3      MET   1 -17.905   7.741   4.908
   30    H    VAL   2           HN       VAL   2 -17.867   2.675   5.756
   31    HA   VAL   2           HA       VAL   2 -15.905   0.689   4.903
   32    HB   VAL   2           HB       VAL   2 -18.110  -0.059   5.779
   33   HG11  VAL   2          HG11      VAL   2 -19.208   1.230   3.287
   34   HG12  VAL   2          HG12      VAL   2 -19.520   1.720   4.951
   35   HG13  VAL   2          HG13      VAL   2 -20.108   0.165   4.366
   36   HG21  VAL   2          HG21      VAL   2 -18.573  -1.709   4.027
   37   HG22  VAL   2          HG22      VAL   2 -16.842  -1.518   4.305
   38   HG23  VAL   2          HG23      VAL   2 -17.596  -0.775   2.896
   39    H    SER   3           HN       SER   3 -17.571   3.448   3.773
   40    HA   SER   3           HA       SER   3 -17.044   2.898   0.967
   41    HB2  SER   3           HB2      SER   3 -19.156   4.013   1.632
   42    HB3  SER   3           HB1      SER   3 -18.225   5.353   2.298
   43    HG   SER   3           HG       SER   3 -18.270   6.157   0.376
   44    H    SER   4           HN       SER   4 -16.015   4.792  -0.272
   45    HA   SER   4           HA       SER   4 -14.085   5.842  -0.815
   46    HB2  SER   4           HB2      SER   4 -14.944   7.520   0.807
   47    HB3  SER   4           HB1      SER   4 -14.068   6.696   2.095
   48    HG   SER   4           HG       SER   4 -12.158   7.070   0.656
   49    H    ALA   5           HN       ALA   5 -13.825   3.203  -0.404
   50    HA   ALA   5           HA       ALA   5 -11.549   2.741   1.356
   51    HB1  ALA   5           HB1      ALA   5 -13.364   1.113   1.463
   52    HB2  ALA   5           HB2      ALA   5 -11.897   0.358   0.834
   53    HB3  ALA   5           HB3      ALA   5 -13.203   0.802  -0.264
   54    H    VAL   6           HN       VAL   6 -10.043   0.973   0.237
   55    HA   VAL   6           HA       VAL   6  -9.167   2.174  -2.272
   56    HB   VAL   6           HB       VAL   6  -8.229   3.353  -0.213
   57   HG11  VAL   6          HG11      VAL   6  -6.599   0.828  -0.037
   58   HG12  VAL   6          HG12      VAL   6  -7.786   1.388   1.140
   59   HG13  VAL   6          HG13      VAL   6  -6.311   2.313   0.870
   60   HG21  VAL   6          HG21      VAL   6  -6.365   2.182  -2.252
   61   HG22  VAL   6          HG22      VAL   6  -6.017   3.574  -1.225
   62   HG23  VAL   6          HG23      VAL   6  -7.325   3.653  -2.405
   63    H    LYS   7           HN       LYS   7  -7.659   0.888  -3.431
   64    HA   LYS   7           HA       LYS   7  -7.709  -1.930  -2.639
   65    HB2  LYS   7           HB2      LYS   7  -6.976  -0.714  -5.310
   66    HB3  LYS   7           HB1      LYS   7  -7.149  -2.425  -4.948
   67    HG2  LYS   7           HG2      LYS   7  -9.375  -0.433  -4.775
   68    HG3  LYS   7           HG1      LYS   7  -9.076  -1.517  -6.138
   69    HD2  LYS   7           HD2      LYS   7  -9.221  -3.433  -4.542
   70    HD3  LYS   7           HD1      LYS   7  -9.734  -2.286  -3.302
   71    HE2  LYS   7           HE2      LYS   7 -11.662  -3.322  -4.260
   72    HE3  LYS   7           HE1      LYS   7 -11.608  -1.632  -4.749
   73    HZ1  LYS   7           HZ1      LYS   7 -10.688  -3.898  -6.424
   74    HZ2  LYS   7           HZ2      LYS   7 -10.777  -2.275  -6.887
   75    HZ3  LYS   7           HZ3      LYS   7 -12.195  -3.142  -6.575
   76    H    CYS   8           HN       CYS   8  -5.785  -3.210  -2.894
   77    HA   CYS   8           HA       CYS   8  -3.529  -2.068  -1.665
   78    HB2  CYS   8           HB2      CYS   8  -4.164  -4.496  -1.657
   79    HB3  CYS   8           HB1      CYS   8  -3.627  -4.592  -3.325
   80    H    GLY   9           HN       GLY   9  -2.158  -0.657  -2.550
   81    HA2  GLY   9           HA2      GLY   9  -2.092  -0.261  -5.390
   82    HA3  GLY   9           HA1      GLY   9  -1.167   0.630  -4.194
   83    H    ILE  10           HN       ILE  10  -0.723  -2.645  -3.717
   84    HA   ILE  10           HA       ILE  10   1.853  -2.488  -5.118
   85    HB   ILE  10           HB       ILE  10   1.153  -4.257  -2.782
   86   HG12  ILE  10          HG12      ILE  10   2.469  -1.539  -2.904
   87   HG13  ILE  10          HG11      ILE  10   0.999  -1.980  -2.043
   88   HG21  ILE  10          HG21      ILE  10   3.002  -5.075  -4.162
   89   HG22  ILE  10          HG22      ILE  10   3.578  -4.532  -2.586
   90   HG23  ILE  10          HG23      ILE  10   3.810  -3.514  -4.007
   91   HD11  ILE  10          HD11      ILE  10   3.033  -1.660  -0.630
   92   HD12  ILE  10          HD12      ILE  10   3.689  -3.111  -1.383
   93   HD13  ILE  10          HD13      ILE  10   2.215  -3.208  -0.435
   94    H    CYS  11           HN       CYS  11  -0.992  -4.516  -4.619
   95    HA   CYS  11           HA       CYS  11   0.027  -6.223  -6.787
   96    HB2  CYS  11           HB2      CYS  11  -0.962  -8.185  -5.819
   97    HB3  CYS  11           HB1      CYS  11   0.044  -7.412  -4.600
   98    H    ARG  12           HN       ARG  12  -2.434  -4.234  -5.649
   99    HA   ARG  12           HA       ARG  12  -4.418  -3.547  -6.430
  100    HB2  ARG  12           HB2      ARG  12  -3.084  -4.521  -8.932
  101    HB3  ARG  12           HB1      ARG  12  -4.706  -3.843  -8.977
  102    HG2  ARG  12           HG2      ARG  12  -3.249  -2.067  -9.477
  103    HG3  ARG  12           HG1      ARG  12  -3.771  -1.824  -7.813
  104    HD2  ARG  12           HD2      ARG  12  -1.399  -1.370  -8.047
  105    HD3  ARG  12           HD1      ARG  12  -1.676  -2.760  -7.002
  106    HE   ARG  12           HE       ARG  12  -1.274  -3.895  -9.420
  107   HH11  ARG  12          HH11      ARG  12   0.545  -1.501  -7.612
  108   HH12  ARG  12          HH12      ARG  12   2.080  -2.032  -8.219
  109   HH21  ARG  12          HH21      ARG  12   0.740  -4.578 -10.223
  110   HH22  ARG  12          HH22      ARG  12   2.190  -3.776  -9.707
  111    H    GLY  13           HN       GLY  13  -4.299  -6.221  -5.322
  112    HA2  GLY  13           HA2      GLY  13  -6.243  -7.723  -6.886
  113    HA3  GLY  13           HA1      GLY  13  -5.445  -8.265  -5.418
  114    H    VAL  14           HN       VAL  14  -6.111  -7.096  -3.392
  115    HA   VAL  14           HA       VAL  14  -9.016  -6.636  -3.487
  116    HB   VAL  14           HB       VAL  14  -9.164  -7.472  -1.218
  117   HG11  VAL  14          HG11      VAL  14  -8.592  -9.801  -1.581
  118   HG12  VAL  14          HG12      VAL  14  -7.523  -9.349  -2.906
  119   HG13  VAL  14          HG13      VAL  14  -9.263  -9.099  -3.055
  120   HG21  VAL  14          HG21      VAL  14  -6.180  -7.869  -1.368
  121   HG22  VAL  14          HG22      VAL  14  -7.224  -8.421  -0.060
  122   HG23  VAL  14          HG23      VAL  14  -7.025  -6.695  -0.363
  123    H    ASP  15           HN       ASP  15  -9.456  -5.572  -1.022
  124    HA   ASP  15           HA       ASP  15  -8.707  -2.881  -1.333
  125    HB2  ASP  15           HB2      ASP  15  -9.794  -2.514   0.831
  126    HB3  ASP  15           HB1      ASP  15 -10.778  -3.541  -0.205
  127    H    GLY  16           HN       GLY  16  -7.273  -1.605  -0.258
  128    HA2  GLY  16           HA2      GLY  16  -5.009  -2.960   0.984
  129    HA3  GLY  16           HA1      GLY  16  -5.068  -1.278   0.474
  130    H    LYS  17           HN       LYS  17  -6.364  -3.528   2.850
  131    HA   LYS  17           HA       LYS  17  -7.556  -1.648   4.535
  132    HB2  LYS  17           HB2      LYS  17  -7.181  -3.519   6.294
  133    HB3  LYS  17           HB1      LYS  17  -8.266  -3.793   4.937
  134    HG2  LYS  17           HG2      LYS  17  -6.687  -5.133   3.818
  135    HG3  LYS  17           HG1      LYS  17  -5.382  -4.632   4.891
  136    HD2  LYS  17           HD2      LYS  17  -6.123  -6.867   5.467
  137    HD3  LYS  17           HD1      LYS  17  -6.528  -5.738   6.759
  138    HE2  LYS  17           HE2      LYS  17  -8.822  -5.604   5.916
  139    HE3  LYS  17           HE1      LYS  17  -8.418  -6.750   4.641
  140    HZ1  LYS  17           HZ1      LYS  17  -9.530  -7.818   6.509
  141    HZ2  LYS  17           HZ2      LYS  17  -8.302  -7.315   7.553
  142    HZ3  LYS  17           HZ3      LYS  17  -7.961  -8.415   6.317
  143    H    TYR  18           HN       TYR  18  -4.238  -2.744   4.365
  144    HA   TYR  18           HA       TYR  18  -3.593  -1.187   6.762
  145    HB2  TYR  18           HB2      TYR  18  -2.174  -3.379   5.284
  146    HB3  TYR  18           HB1      TYR  18  -1.278  -2.307   6.358
  147    HD1  TYR  18           HD1      TYR  18  -4.408  -4.329   6.387
  148    HD2  TYR  18           HD2      TYR  18  -0.984  -3.027   8.533
  149    HE1  TYR  18           HE1      TYR  18  -5.086  -5.725   8.280
  150    HE2  TYR  18           HE2      TYR  18  -1.651  -4.422  10.446
  151    HH   TYR  18           HH       TYR  18  -3.606  -5.476  11.370
  152    H    LYS  19           HN       LYS  19  -1.655   0.204   6.681
  153    HA   LYS  19           HA       LYS  19  -1.131   1.321   4.032
  154    HB2  LYS  19           HB2      LYS  19  -3.139   2.446   5.140
  155    HB3  LYS  19           HB1      LYS  19  -2.008   3.052   6.338
  156    HG2  LYS  19           HG2      LYS  19  -1.474   3.589   3.460
  157    HG3  LYS  19           HG1      LYS  19  -2.718   4.514   4.293
  158    HD2  LYS  19           HD2      LYS  19  -0.948   4.969   6.071
  159    HD3  LYS  19           HD1      LYS  19   0.214   4.352   4.891
  160    HE2  LYS  19           HE2      LYS  19  -0.423   6.061   3.312
  161    HE3  LYS  19           HE1      LYS  19  -1.694   6.631   4.392
  162    HZ1  LYS  19           HZ1      LYS  19   1.223   6.712   4.954
  163    HZ2  LYS  19           HZ2      LYS  19   0.004   7.247   5.998
  164    HZ3  LYS  19           HZ3      LYS  19   0.259   8.034   4.527
  165    H    CYS  20           HN       CYS  20   0.816   2.413   3.868
  166    HA   CYS  20           HA       CYS  20   2.652   1.954   6.100
  167    HB2  CYS  20           HB2      CYS  20   3.333   1.129   3.898
  168    HB3  CYS  20           HB1      CYS  20   3.237   2.763   3.246
  169    HA   PRO  21           HA       PRO  21   2.241   6.328   7.039
  170    HB2  PRO  21           HB2      PRO  21   3.898   6.243   9.202
  171    HB3  PRO  21           HB1      PRO  21   2.199   5.768   9.256
  172    HG2  PRO  21           HG2      PRO  21   4.640   4.052   9.011
  173    HG3  PRO  21           HG1      PRO  21   3.193   3.804  10.007
  174    HD2  PRO  21           HD2      PRO  21   3.555   2.508   7.672
  175    HD3  PRO  21           HD1      PRO  21   1.948   3.009   8.225
  176    H    LYS  22           HN       LYS  22   4.910   4.597   5.895
  177    HA   LYS  22           HA       LYS  22   6.729   6.866   6.154
  178    HB2  LYS  22           HB2      LYS  22   7.289   4.155   4.954
  179    HB3  LYS  22           HB1      LYS  22   8.470   5.381   5.393
  180    HG2  LYS  22           HG2      LYS  22   6.702   3.847   7.281
  181    HG3  LYS  22           HG1      LYS  22   8.431   3.610   7.036
  182    HD2  LYS  22           HD2      LYS  22   7.140   6.128   8.093
  183    HD3  LYS  22           HD1      LYS  22   7.939   4.902   9.075
  184    HE2  LYS  22           HE2      LYS  22  10.042   5.335   7.885
  185    HE3  LYS  22           HE1      LYS  22   9.236   6.577   6.928
  186    HZ1  LYS  22           HZ1      LYS  22   9.603   6.618   9.875
  187    HZ2  LYS  22           HZ2      LYS  22   8.787   7.797   8.978
  188    HZ3  LYS  22           HZ3      LYS  22  10.447   7.563   8.753
  189    H    CYS  23           HN       CYS  23   5.576   4.736   3.501
  190    HA   CYS  23           HA       CYS  23   6.433   6.834   1.647
  191    HB2  CYS  23           HB2      CYS  23   6.095   5.142  -0.154
  192    HB3  CYS  23           HB1      CYS  23   7.311   4.697   1.029
  193    H    GLY  24           HN       GLY  24   3.620   5.365   2.944
  194    HA2  GLY  24           HA2      GLY  24   1.514   6.399   2.916
  195    HA3  GLY  24           HA1      GLY  24   2.008   7.319   1.499
  196    H    VAL  25           HN       VAL  25   2.634   3.945   1.611
  197    HA   VAL  25           HA       VAL  25   0.875   3.593  -0.662
  198    HB   VAL  25           HB       VAL  25   3.303   2.732  -0.497
  199   HG11  VAL  25          HG11      VAL  25   3.203   1.608   1.617
  200   HG12  VAL  25          HG12      VAL  25   3.482   0.411   0.354
  201   HG13  VAL  25          HG13      VAL  25   1.877   0.586   1.065
  202   HG21  VAL  25          HG21      VAL  25   1.844   2.227  -2.350
  203   HG22  VAL  25          HG22      VAL  25   1.087   0.926  -1.433
  204   HG23  VAL  25          HG23      VAL  25   2.780   0.800  -1.910
  205    H    ARG  26           HN       ARG  26  -0.524   1.787  -0.807
  206    HA   ARG  26           HA       ARG  26  -1.700   0.982   1.762
  207    HB2  ARG  26           HB2      ARG  26  -2.918   1.607  -0.915
  208    HB3  ARG  26           HB1      ARG  26  -3.756   0.557   0.218
  209    HG2  ARG  26           HG2      ARG  26  -2.843   3.338   0.899
  210    HG3  ARG  26           HG1      ARG  26  -4.449   2.955   0.273
  211    HD2  ARG  26           HD2      ARG  26  -4.682   1.336   2.183
  212    HD3  ARG  26           HD1      ARG  26  -3.197   2.016   2.842
  213    HE   ARG  26           HE       ARG  26  -4.804   4.180   2.429
  214   HH11  ARG  26          HH11      ARG  26  -5.164   1.150   4.134
  215   HH12  ARG  26          HH12      ARG  26  -6.192   1.811   5.366
  216   HH21  ARG  26          HH21      ARG  26  -6.181   5.061   4.035
  217   HH22  ARG  26          HH22      ARG  26  -6.780   4.039   5.304
  218    H    TYR  27           HN       TYR  27  -1.686  -1.149   2.194
  219    HA   TYR  27           HA       TYR  27  -1.426  -2.986  -0.076
  220    HB2  TYR  27           HB2      TYR  27  -0.084  -4.380   1.830
  221    HB3  TYR  27           HB1      TYR  27   0.677  -3.414   0.581
  222    HD1  TYR  27           HD1      TYR  27  -0.857  -2.759   3.933
  223    HD2  TYR  27           HD2      TYR  27   2.441  -2.173   1.321
  224    HE1  TYR  27           HE1      TYR  27   0.281  -1.406   5.654
  225    HE2  TYR  27           HE2      TYR  27   3.580  -0.845   3.040
  226    HH   TYR  27           HH       TYR  27   2.479  -0.737   6.280
  227    H    CYS  28           HN       CYS  28  -2.123  -5.087   0.272
  228    HA   CYS  28           HA       CYS  28  -4.615  -5.148   1.654
  229    HB2  CYS  28           HB2      CYS  28  -4.854  -7.360   0.586
  230    HB3  CYS  28           HB1      CYS  28  -4.379  -6.124  -0.570
  231    H    SER  29           HN       SER  29  -1.397  -6.205   2.334
  232    HA   SER  29           HA       SER  29  -1.969  -6.966   4.974
  233    HB2  SER  29           HB2      SER  29  -1.553  -9.392   4.841
  234    HB3  SER  29           HB1      SER  29  -2.968  -8.959   3.888
  235    HG   SER  29           HG       SER  29  -1.995  -9.821   2.253
  236    H    LEU  30           HN       LEU  30   0.052  -8.705   5.569
  237    HA   LEU  30           HA       LEU  30   2.385  -7.144   5.353
  238    HB2  LEU  30           HB2      LEU  30   1.882  -9.951   6.271
  239    HB3  LEU  30           HB1      LEU  30   3.507  -9.304   6.185
  240    HG   LEU  30           HG       LEU  30   1.260  -8.197   7.876
  241   HD11  LEU  30          HD11      LEU  30   2.115 -10.333   8.691
  242   HD12  LEU  30          HD12      LEU  30   2.592  -9.007   9.753
  243   HD13  LEU  30          HD13      LEU  30   3.760  -9.701   8.630
  244   HD21  LEU  30          HD21      LEU  30   4.156  -7.377   7.663
  245   HD22  LEU  30          HD22      LEU  30   3.000  -6.767   8.846
  246   HD23  LEU  30          HD23      LEU  30   2.763  -6.434   7.132
  247    H    LYS  31           HN       LYS  31   1.016  -9.538   3.288
  248    HA   LYS  31           HA       LYS  31   3.339 -10.599   2.119
  249    HB2  LYS  31           HB2      LYS  31   0.617 -10.167   0.876
  250    HB3  LYS  31           HB1      LYS  31   1.884 -11.178   0.197
  251    HG2  LYS  31           HG2      LYS  31   0.507 -11.611   2.840
  252    HG3  LYS  31           HG1      LYS  31   0.205 -12.503   1.348
  253    HD2  LYS  31           HD2      LYS  31   2.534 -13.290   1.365
  254    HD3  LYS  31           HD1      LYS  31   2.804 -12.428   2.881
  255    HE2  LYS  31           HE2      LYS  31   2.386 -14.773   3.323
  256    HE3  LYS  31           HE1      LYS  31   1.058 -13.795   3.944
  257    HZ1  LYS  31           HZ1      LYS  31   0.202 -15.722   2.815
  258    HZ2  LYS  31           HZ2      LYS  31   1.065 -15.347   1.412
  259    HZ3  LYS  31           HZ3      LYS  31  -0.197 -14.344   1.921
  260    H    CYS  32           HN       CYS  32   1.528  -7.682   1.448
  261    HA   CYS  32           HA       CYS  32   3.449  -6.963  -0.638
  262    HB2  CYS  32           HB2      CYS  32   0.794  -5.735   0.131
  263    HB3  CYS  32           HB1      CYS  32   1.848  -5.114  -1.137
  264    H    TYR  33           HN       TYR  33   2.489  -6.223   2.597
  265    HA   TYR  33           HA       TYR  33   3.627  -3.689   2.935
  266    HB2  TYR  33           HB2      TYR  33   2.210  -5.033   4.595
  267    HB3  TYR  33           HB1      TYR  33   3.686  -5.895   5.002
  268    HD1  TYR  33           HD1      TYR  33   5.177  -2.999   4.511
  269    HD2  TYR  33           HD2      TYR  33   2.149  -4.539   7.064
  270    HE1  TYR  33           HE1      TYR  33   5.711  -1.265   6.188
  271    HE2  TYR  33           HE2      TYR  33   2.679  -2.828   8.744
  272    HH   TYR  33           HH       TYR  33   4.684  -1.417   9.366
  273    H    LYS  34           HN       LYS  34   5.030  -6.889   3.576
  274    HA   LYS  34           HA       LYS  34   7.656  -5.703   3.930
  275    HB2  LYS  34           HB2      LYS  34   6.739  -8.569   4.190
  276    HB3  LYS  34           HB1      LYS  34   8.334  -7.964   4.618
  277    HG2  LYS  34           HG2      LYS  34   7.273  -6.480   6.287
  278    HG3  LYS  34           HG1      LYS  34   5.717  -7.217   5.905
  279    HD2  LYS  34           HD2      LYS  34   6.682  -8.220   7.902
  280    HD3  LYS  34           HD1      LYS  34   6.586  -9.399   6.593
  281    HE2  LYS  34           HE2      LYS  34   8.720  -9.511   7.825
  282    HE3  LYS  34           HE1      LYS  34   8.938  -9.130   6.120
  283    HZ1  LYS  34           HZ1      LYS  34   9.202  -6.799   6.717
  284    HZ2  LYS  34           HZ2      LYS  34  10.338  -7.758   7.518
  285    HZ3  LYS  34           HZ3      LYS  34   8.990  -7.171   8.353
  286    H    ASP  35           HN       ASP  35   6.711  -5.453   1.323
  287    HA   ASP  35           HA       ASP  35   8.393  -7.348  -0.153
  288    HB2  ASP  35           HB2      ASP  35   6.078  -7.314  -0.928
  289    HB3  ASP  35           HB1      ASP  35   6.128  -5.562  -1.088
  290    H    ALA  36           HN       ALA  36  10.058  -6.548  -1.385
  291    HA   ALA  36           HA       ALA  36  10.403  -3.625  -1.413
  292    HB1  ALA  36           HB1      ALA  36  12.797  -3.901  -1.097
  293    HB2  ALA  36           HB2      ALA  36  12.601  -5.651  -1.011
  294    HB3  ALA  36           HB3      ALA  36  11.910  -4.624   0.244
  295    H    ALA  37           HN       ALA  37   9.278  -5.458  -3.381
  296    HA   ALA  37           HA       ALA  37  11.226  -5.069  -5.568
  297    HB1  ALA  37           HB1      ALA  37  10.014  -6.822  -6.779
  298    HB2  ALA  37           HB2      ALA  37   8.910  -7.003  -5.415
  299    HB3  ALA  37           HB3      ALA  37  10.614  -7.416  -5.231
  300    H    LYS  38           HN       LYS  38   7.811  -4.971  -4.699
  301    HA   LYS  38           HA       LYS  38   7.321  -2.993  -6.816
  302    HB2  LYS  38           HB2      LYS  38   5.360  -4.502  -5.079
  303    HB3  LYS  38           HB1      LYS  38   4.946  -3.431  -6.411
  304    HG2  LYS  38           HG2      LYS  38   6.062  -4.948  -7.972
  305    HG3  LYS  38           HG1      LYS  38   6.475  -6.018  -6.630
  306    HD2  LYS  38           HD2      LYS  38   4.029  -6.207  -6.148
  307    HD3  LYS  38           HD1      LYS  38   3.723  -5.325  -7.643
  308    HE2  LYS  38           HE2      LYS  38   4.948  -7.072  -8.882
  309    HE3  LYS  38           HE1      LYS  38   5.152  -7.966  -7.378
  310    HZ1  LYS  38           HZ1      LYS  38   2.594  -7.334  -8.739
  311    HZ2  LYS  38           HZ2      LYS  38   2.702  -8.040  -7.209
  312    HZ3  LYS  38           HZ3      LYS  38   3.300  -8.860  -8.558
  313    H    HIS  39           HN       HIS  39   7.112  -3.612  -3.356
  314    HA   HIS  39           HA       HIS  39   6.349  -0.861  -2.794
  315    HB2  HIS  39           HB2      HIS  39   5.424  -2.726  -1.470
  316    HB3  HIS  39           HB1      HIS  39   7.042  -3.160  -0.951
  317    HD1  HIS  39           HD1      HIS  39   6.069  -2.811   1.513
  318    HD2  HIS  39           HD2      HIS  39   6.379   0.608  -0.831
  319    HE1  HIS  39           HE1      HIS  39   5.901  -0.852   3.084
  320    H    VAL  40           HN       VAL  40   8.118   0.337  -3.511
  321    HA   VAL  40           HA       VAL  40  10.675  -0.292  -2.213
  322    HB   VAL  40           HB       VAL  40  10.267   1.287  -4.758
  323   HG11  VAL  40          HG11      VAL  40  12.786   0.280  -3.440
  324   HG12  VAL  40          HG12      VAL  40  12.261   1.960  -3.536
  325   HG13  VAL  40          HG13      VAL  40  12.697   1.088  -5.004
  326   HG21  VAL  40          HG21      VAL  40   9.705  -1.055  -5.100
  327   HG22  VAL  40          HG22      VAL  40  11.239  -1.544  -4.378
  328   HG23  VAL  40          HG23      VAL  40  11.223  -0.661  -5.905
  329    H    HIS  41           HN       HIS  41  11.333   0.953  -0.707
  330    HA   HIS  41           HA       HIS  41  10.111   3.495  -0.233
  331    HB2  HIS  41           HB2      HIS  41  11.898   1.687   1.249
  332    HB3  HIS  41           HB1      HIS  41  12.118   3.407   1.579
  333    HD1  HIS  41           HD1      HIS  41  10.999   1.820   3.886
  334    HD2  HIS  41           HD2      HIS  41   8.641   3.445   0.908
  335    HE1  HIS  41           HE1      HIS  41   8.746   2.304   4.946
  336    H    LYS  42           HN       LYS  42  10.655   4.585  -2.093
  337    HA   LYS  42           HA       LYS  42  13.254   5.896  -1.844
  338    HB2  LYS  42           HB2      LYS  42  13.345   6.070  -4.347
  339    HB3  LYS  42           HB1      LYS  42  13.574   4.447  -3.720
  340    HG2  LYS  42           HG2      LYS  42  11.288   3.872  -4.292
  341    HG3  LYS  42           HG1      LYS  42  11.000   5.519  -4.854
  342    HD2  LYS  42           HD2      LYS  42  13.087   3.678  -6.019
  343    HD3  LYS  42           HD1      LYS  42  11.458   3.863  -6.674
  344    HE2  LYS  42           HE2      LYS  42  13.443   6.112  -6.340
  345    HE3  LYS  42           HE1      LYS  42  13.166   5.238  -7.843
  346    HZ1  LYS  42           HZ1      LYS  42  11.935   7.329  -7.756
  347    HZ2  LYS  42           HZ2      LYS  42  11.111   6.800  -6.372
  348    HZ3  LYS  42           HZ3      LYS  42  10.887   6.000  -7.843
  349    H    GLU  43           HN       GLU  43  12.846   7.916  -1.318
  350    HA   GLU  43           HA       GLU  43  10.435   9.216  -2.371
  351    HB2  GLU  43           HB2      GLU  43  10.727  10.882  -0.636
  352    HB3  GLU  43           HB1      GLU  43  10.762   9.281   0.083
  353    HG2  GLU  43           HG2      GLU  43  13.235  10.856  -0.585
  354    HG3  GLU  43           HG1      GLU  43  12.431  10.914   0.981
  355    H    SER  44           HN       SER  44  13.394   8.704  -3.329
  356    HA   SER  44           HA       SER  44  13.604  11.232  -4.768
  357    HB2  SER  44           HB2      SER  44  15.112  11.460  -2.833
  358    HB3  SER  44           HB1      SER  44  15.888   9.933  -3.246
  359    HG   SER  44           HG       SER  44  17.168  11.502  -4.094
  360    H    GLU  45           HN       GLU  45  14.847  11.018  -6.727
  361    HA   GLU  45           HA       GLU  45  14.626   8.379  -7.890
  362    HB2  GLU  45           HB2      GLU  45  15.579  10.994  -9.073
  363    HB3  GLU  45           HB1      GLU  45  15.324   9.509  -9.979
  364    HG2  GLU  45           HG2      GLU  45  13.208  11.054  -8.498
  365    HG3  GLU  45           HG1      GLU  45  13.463  11.057 -10.241
  366    H    GLN  46           HN       GLN  46  16.796   9.662  -5.931
  367    HA   GLN  46           HA       GLN  46  18.970   8.046  -7.063
  368    HB2  GLN  46           HB2      GLN  46  19.223  10.719  -5.672
  369    HB3  GLN  46           HB1      GLN  46  20.580   9.653  -6.009
  370    HG2  GLN  46           HG2      GLN  46  18.774  10.900  -8.069
  371    HG3  GLN  46           HG1      GLN  46  20.394  11.453  -7.647
  372   HE21  GLN  46          HE21      GLN  46  19.351  10.544 -10.199
  373   HE22  GLN  46          HE22      GLN  46  20.344   9.212 -10.682
  Start of MODEL    9
    1    H1   GLY  -2           HT1      GLY  -2 -14.605  12.792   4.982
    2    H2   GLY  -2           HT2      GLY  -2 -14.168  14.361   5.431
    3    H3   GLY  -2           HT3      GLY  -2 -15.061  14.105   4.019
    4    HA2  GLY  -2           HA1      GLY  -2 -16.003  13.572   6.780
    5    HA3  GLY  -2           HA2      GLY  -2 -16.468  14.949   5.792
    6    HA   PRO  -1           HA       PRO  -1 -19.569  11.648   4.980
    7    HB2  PRO  -1           HB2      PRO  -1 -21.776  13.116   5.362
    8    HB3  PRO  -1           HB1      PRO  -1 -20.857  12.460   6.722
    9    HG2  PRO  -1           HG2      PRO  -1 -20.872  15.233   5.605
   10    HG3  PRO  -1           HG1      PRO  -1 -20.838  14.706   7.297
   11    HD2  PRO  -1           HD2      PRO  -1 -18.623  15.517   5.868
   12    HD3  PRO  -1           HD1      PRO  -1 -18.570  14.465   7.295
   13    H    HIS   0           HN       HIS   0 -18.155  12.830   2.939
   14    HA   HIS   0           HA       HIS   0 -20.273  13.287   0.971
   15    HB2  HIS   0           HB2      HIS   0 -17.845  15.065   1.300
   16    HB3  HIS   0           HB1      HIS   0 -18.892  15.080  -0.111
   17    HD1  HIS   0           HD1      HIS   0 -18.429  16.676   3.078
   18    HD2  HIS   0           HD2      HIS   0 -21.676  15.817   0.631
   19    HE1  HIS   0           HE1      HIS   0 -20.284  18.182   3.861
   20    HE2  HIS   0           HE2      HIS   0 -22.279  17.541   2.463
   21    H    MET   1           HN       MET   1 -18.540  11.042   1.682
   22    HA   MET   1           HA       MET   1 -17.685  10.319  -0.938
   23    HB2  MET   1           HB2      MET   1 -15.769  11.749  -0.218
   24    HB3  MET   1           HB1      MET   1 -15.506  10.651   1.129
   25    HG2  MET   1           HG2      MET   1 -15.182   8.817  -0.534
   26    HG3  MET   1           HG1      MET   1 -15.243  10.038  -1.803
   27    HE1  MET   1           HE1      MET   1 -13.604  10.228   1.806
   28    HE2  MET   1           HE2      MET   1 -11.969   9.694   1.420
   29    HE3  MET   1           HE3      MET   1 -13.327   8.587   1.227
   30    H    VAL   2           HN       VAL   2 -18.384   8.294  -0.995
   31    HA   VAL   2           HA       VAL   2 -18.395   6.677   1.421
   32    HB   VAL   2           HB       VAL   2 -20.370   6.688  -0.077
   33   HG11  VAL   2          HG11      VAL   2 -18.544   5.300  -2.030
   34   HG12  VAL   2          HG12      VAL   2 -19.277   6.891  -2.223
   35   HG13  VAL   2          HG13      VAL   2 -20.294   5.451  -2.199
   36   HG21  VAL   2          HG21      VAL   2 -20.727   4.262  -0.111
   37   HG22  VAL   2          HG22      VAL   2 -20.005   4.799   1.405
   38   HG23  VAL   2          HG23      VAL   2 -19.007   4.011   0.182
   39    H    SER   3           HN       SER   3 -16.479   7.122  -1.386
   40    HA   SER   3           HA       SER   3 -15.345   4.475  -1.404
   41    HB2  SER   3           HB2      SER   3 -13.790   5.548  -3.126
   42    HB3  SER   3           HB1      SER   3 -15.506   5.517  -3.528
   43    HG   SER   3           HG       SER   3 -13.875   7.678  -2.788
   44    H    SER   4           HN       SER   4 -14.900   5.003   1.052
   45    HA   SER   4           HA       SER   4 -12.386   6.384   1.470
   46    HB2  SER   4           HB2      SER   4 -14.055   4.779   3.421
   47    HB3  SER   4           HB1      SER   4 -12.738   5.879   3.828
   48    HG   SER   4           HG       SER   4 -15.292   6.457   3.540
   49    H    ALA   5           HN       ALA   5 -13.487   3.240   0.766
   50    HA   ALA   5           HA       ALA   5 -11.250   1.801   1.829
   51    HB1  ALA   5           HB1      ALA   5 -12.136  -0.095   0.588
   52    HB2  ALA   5           HB2      ALA   5 -13.252   0.971  -0.266
   53    HB3  ALA   5           HB3      ALA   5 -13.423   0.725   1.471
   54    H    VAL   6           HN       VAL   6  -9.561   0.857   0.651
   55    HA   VAL   6           HA       VAL   6  -8.981   2.158  -1.935
   56    HB   VAL   6           HB       VAL   6  -6.571   1.189  -1.046
   57   HG11  VAL   6          HG11      VAL   6  -7.671   3.969  -0.789
   58   HG12  VAL   6          HG12      VAL   6  -6.882   3.256  -2.199
   59   HG13  VAL   6          HG13      VAL   6  -5.964   3.528  -0.719
   60   HG21  VAL   6          HG21      VAL   6  -7.394   0.739   1.151
   61   HG22  VAL   6          HG22      VAL   6  -8.018   2.384   1.301
   62   HG23  VAL   6          HG23      VAL   6  -6.279   2.102   1.216
   63    H    LYS   7           HN       LYS   7  -7.341   0.900  -3.184
   64    HA   LYS   7           HA       LYS   7  -7.544  -1.984  -2.690
   65    HB2  LYS   7           HB2      LYS   7  -7.169  -0.632  -5.370
   66    HB3  LYS   7           HB1      LYS   7  -7.266  -2.357  -5.059
   67    HG2  LYS   7           HG2      LYS   7  -9.494  -0.416  -4.551
   68    HG3  LYS   7           HG1      LYS   7  -9.343  -1.438  -5.981
   69    HD2  LYS   7           HD2      LYS   7  -9.325  -3.423  -4.464
   70    HD3  LYS   7           HD1      LYS   7  -9.683  -2.332  -3.125
   71    HE2  LYS   7           HE2      LYS   7 -11.737  -1.633  -4.240
   72    HE3  LYS   7           HE1      LYS   7 -11.375  -2.713  -5.585
   73    HZ1  LYS   7           HZ1      LYS   7 -11.504  -4.588  -4.054
   74    HZ2  LYS   7           HZ2      LYS   7 -12.954  -3.716  -4.068
   75    HZ3  LYS   7           HZ3      LYS   7 -11.874  -3.541  -2.772
   76    H    CYS   8           HN       CYS   8  -5.693  -3.054  -2.606
   77    HA   CYS   8           HA       CYS   8  -3.387  -1.905  -1.717
   78    HB2  CYS   8           HB2      CYS   8  -3.988  -4.322  -1.629
   79    HB3  CYS   8           HB1      CYS   8  -3.553  -4.459  -3.322
   80    H    GLY   9           HN       GLY   9  -2.082  -0.477  -2.682
   81    HA2  GLY   9           HA2      GLY   9  -2.025  -0.222  -5.549
   82    HA3  GLY   9           HA1      GLY   9  -1.146   0.767  -4.395
   83    H    ILE  10           HN       ILE  10  -0.693  -2.549  -3.915
   84    HA   ILE  10           HA       ILE  10   1.935  -2.355  -5.201
   85    HB   ILE  10           HB       ILE  10   1.139  -4.136  -2.898
   86   HG12  ILE  10          HG12      ILE  10   2.563  -1.468  -2.974
   87   HG13  ILE  10          HG11      ILE  10   1.050  -1.848  -2.163
   88   HG21  ILE  10          HG21      ILE  10   3.567  -4.466  -2.652
   89   HG22  ILE  10          HG22      ILE  10   3.832  -3.501  -4.103
   90   HG23  ILE  10          HG23      ILE  10   2.976  -5.038  -4.212
   91   HD11  ILE  10          HD11      ILE  10   3.011  -1.612  -0.670
   92   HD12  ILE  10          HD12      ILE  10   3.681  -3.059  -1.421
   93   HD13  ILE  10          HD13      ILE  10   2.165  -3.152  -0.537
   94    H    CYS  11           HN       CYS  11  -0.831  -4.509  -4.636
   95    HA   CYS  11           HA       CYS  11   0.175  -6.158  -6.855
   96    HB2  CYS  11           HB2      CYS  11  -0.897  -8.097  -5.894
   97    HB3  CYS  11           HB1      CYS  11   0.139  -7.350  -4.685
   98    H    ARG  12           HN       ARG  12  -2.332  -4.192  -5.709
   99    HA   ARG  12           HA       ARG  12  -4.350  -3.547  -6.479
  100    HB2  ARG  12           HB2      ARG  12  -3.322  -4.669  -9.090
  101    HB3  ARG  12           HB1      ARG  12  -4.743  -3.652  -8.920
  102    HG2  ARG  12           HG2      ARG  12  -1.897  -2.870  -8.327
  103    HG3  ARG  12           HG1      ARG  12  -2.877  -2.341  -9.694
  104    HD2  ARG  12           HD2      ARG  12  -3.370  -1.740  -6.781
  105    HD3  ARG  12           HD1      ARG  12  -2.802  -0.609  -8.003
  106    HE   ARG  12           HE       ARG  12  -5.261  -1.674  -8.838
  107   HH11  ARG  12          HH11      ARG  12  -3.946   0.464  -6.395
  108   HH12  ARG  12          HH12      ARG  12  -5.414   1.369  -6.211
  109   HH21  ARG  12          HH21      ARG  12  -7.198  -0.484  -8.598
  110   HH22  ARG  12          HH22      ARG  12  -7.256   0.844  -7.482
  111    H    GLY  13           HN       GLY  13  -4.146  -6.079  -5.249
  112    HA2  GLY  13           HA2      GLY  13  -5.872  -7.865  -6.775
  113    HA3  GLY  13           HA1      GLY  13  -5.065  -8.237  -5.257
  114    H    VAL  14           HN       VAL  14  -5.876  -6.902  -3.353
  115    HA   VAL  14           HA       VAL  14  -8.792  -6.610  -3.566
  116    HB   VAL  14           HB       VAL  14  -9.056  -7.477  -1.311
  117   HG11  VAL  14          HG11      VAL  14  -8.466  -9.816  -1.697
  118   HG12  VAL  14          HG12      VAL  14  -7.406  -9.330  -3.019
  119   HG13  VAL  14          HG13      VAL  14  -9.147  -9.075  -3.145
  120   HG21  VAL  14          HG21      VAL  14  -6.965  -6.765  -0.331
  121   HG22  VAL  14          HG22      VAL  14  -6.071  -7.890  -1.355
  122   HG23  VAL  14          HG23      VAL  14  -7.165  -8.503  -0.116
  123    H    ASP  15           HN       ASP  15  -9.337  -5.648  -1.092
  124    HA   ASP  15           HA       ASP  15  -8.740  -2.918  -1.376
  125    HB2  ASP  15           HB2      ASP  15  -9.746  -4.269   1.134
  126    HB3  ASP  15           HB1      ASP  15  -9.974  -2.590   0.662
  127    H    GLY  16           HN       GLY  16  -7.306  -1.589  -0.379
  128    HA2  GLY  16           HA2      GLY  16  -5.053  -2.809   0.971
  129    HA3  GLY  16           HA1      GLY  16  -5.218  -1.114   0.530
  130    H    LYS  17           HN       LYS  17  -6.317  -3.561   2.829
  131    HA   LYS  17           HA       LYS  17  -7.536  -1.693   4.601
  132    HB2  LYS  17           HB2      LYS  17  -7.450  -3.657   6.221
  133    HB3  LYS  17           HB1      LYS  17  -8.377  -3.869   4.744
  134    HG2  LYS  17           HG2      LYS  17  -6.892  -5.366   3.861
  135    HG3  LYS  17           HG1      LYS  17  -5.529  -4.726   4.781
  136    HD2  LYS  17           HD2      LYS  17  -6.176  -6.926   5.606
  137    HD3  LYS  17           HD1      LYS  17  -6.469  -5.687   6.825
  138    HE2  LYS  17           HE2      LYS  17  -8.321  -7.251   6.742
  139    HE3  LYS  17           HE1      LYS  17  -8.838  -5.652   6.218
  140    HZ1  LYS  17           HZ1      LYS  17  -8.731  -6.374   3.941
  141    HZ2  LYS  17           HZ2      LYS  17  -9.704  -7.440   4.814
  142    HZ3  LYS  17           HZ3      LYS  17  -8.128  -7.885   4.397
  143    H    TYR  18           HN       TYR  18  -4.292  -2.591   4.088
  144    HA   TYR  18           HA       TYR  18  -3.535  -1.476   6.701
  145    HB2  TYR  18           HB2      TYR  18  -2.280  -3.509   4.920
  146    HB3  TYR  18           HB1      TYR  18  -1.233  -2.527   5.942
  147    HD1  TYR  18           HD1      TYR  18  -4.263  -4.673   6.122
  148    HD2  TYR  18           HD2      TYR  18  -0.813  -3.219   8.110
  149    HE1  TYR  18           HE1      TYR  18  -4.726  -6.182   7.998
  150    HE2  TYR  18           HE2      TYR  18  -1.262  -4.719  10.002
  151    HH   TYR  18           HH       TYR  18  -3.494  -7.273   9.821
  152    H    LYS  19           HN       LYS  19  -1.595  -0.063   6.714
  153    HA   LYS  19           HA       LYS  19  -1.249   1.406   4.203
  154    HB2  LYS  19           HB2      LYS  19  -3.156   2.315   5.710
  155    HB3  LYS  19           HB1      LYS  19  -1.865   2.883   6.751
  156    HG2  LYS  19           HG2      LYS  19  -1.924   3.623   3.853
  157    HG3  LYS  19           HG1      LYS  19  -2.908   4.484   5.023
  158    HD2  LYS  19           HD2      LYS  19  -0.667   4.712   6.332
  159    HD3  LYS  19           HD1      LYS  19   0.061   4.375   4.758
  160    HE2  LYS  19           HE2      LYS  19  -1.797   6.634   5.480
  161    HE3  LYS  19           HE1      LYS  19  -0.100   6.750   5.019
  162    HZ1  LYS  19           HZ1      LYS  19  -0.693   5.961   2.808
  163    HZ2  LYS  19           HZ2      LYS  19  -1.558   7.358   3.199
  164    HZ3  LYS  19           HZ3      LYS  19  -2.318   5.852   3.259
  165    H    CYS  20           HN       CYS  20   0.657   2.551   4.025
  166    HA   CYS  20           HA       CYS  20   2.659   1.996   6.109
  167    HB2  CYS  20           HB2      CYS  20   3.217   1.220   3.822
  168    HB3  CYS  20           HB1      CYS  20   3.114   2.883   3.253
  169    HA   PRO  21           HA       PRO  21   2.175   6.396   6.969
  170    HB2  PRO  21           HB2      PRO  21   3.700   6.373   9.215
  171    HB3  PRO  21           HB1      PRO  21   2.014   5.845   9.192
  172    HG2  PRO  21           HG2      PRO  21   4.512   4.202   9.102
  173    HG3  PRO  21           HG1      PRO  21   3.026   3.927  10.029
  174    HD2  PRO  21           HD2      PRO  21   3.559   2.612   7.719
  175    HD3  PRO  21           HD1      PRO  21   1.909   3.034   8.216
  176    H    LYS  22           HN       LYS  22   4.771   4.659   5.825
  177    HA   LYS  22           HA       LYS  22   6.702   6.833   6.149
  178    HB2  LYS  22           HB2      LYS  22   7.108   4.090   4.954
  179    HB3  LYS  22           HB1      LYS  22   8.365   5.258   5.336
  180    HG2  LYS  22           HG2      LYS  22   6.556   3.929   7.338
  181    HG3  LYS  22           HG1      LYS  22   8.217   3.453   6.987
  182    HD2  LYS  22           HD2      LYS  22   7.345   6.135   8.067
  183    HD3  LYS  22           HD1      LYS  22   8.060   4.830   9.015
  184    HE2  LYS  22           HE2      LYS  22   9.379   6.304   6.736
  185    HE3  LYS  22           HE1      LYS  22   9.717   6.529   8.449
  186    HZ1  LYS  22           HZ1      LYS  22  10.218   4.069   6.858
  187    HZ2  LYS  22           HZ2      LYS  22  10.431   4.190   8.530
  188    HZ3  LYS  22           HZ3      LYS  22  11.380   5.129   7.487
  189    H    CYS  23           HN       CYS  23   5.493   4.749   3.492
  190    HA   CYS  23           HA       CYS  23   6.304   6.869   1.635
  191    HB2  CYS  23           HB2      CYS  23   6.032   5.197  -0.168
  192    HB3  CYS  23           HB1      CYS  23   7.219   4.726   1.031
  193    H    GLY  24           HN       GLY  24   3.559   5.485   3.067
  194    HA2  GLY  24           HA2      GLY  24   1.499   6.602   3.117
  195    HA3  GLY  24           HA1      GLY  24   1.930   7.419   1.619
  196    H    VAL  25           HN       VAL  25   2.607   4.126   1.567
  197    HA   VAL  25           HA       VAL  25   0.674   3.810  -0.537
  198    HB   VAL  25           HB       VAL  25   3.104   2.921  -0.480
  199   HG11  VAL  25          HG11      VAL  25   3.028   1.714   1.599
  200   HG12  VAL  25          HG12      VAL  25   3.308   0.585   0.273
  201   HG13  VAL  25          HG13      VAL  25   1.707   0.708   1.006
  202   HG21  VAL  25          HG21      VAL  25   0.831   1.198  -1.427
  203   HG22  VAL  25          HG22      VAL  25   2.507   1.059  -1.954
  204   HG23  VAL  25          HG23      VAL  25   1.591   2.524  -2.307
  205    H    ARG  26           HN       ARG  26  -0.774   2.038  -0.671
  206    HA   ARG  26           HA       ARG  26  -1.802   1.115   1.928
  207    HB2  ARG  26           HB2      ARG  26  -3.199   1.992  -0.575
  208    HB3  ARG  26           HB1      ARG  26  -3.971   0.827   0.487
  209    HG2  ARG  26           HG2      ARG  26  -2.979   3.495   1.443
  210    HG3  ARG  26           HG1      ARG  26  -4.614   3.233   0.831
  211    HD2  ARG  26           HD2      ARG  26  -4.814   1.383   2.536
  212    HD3  ARG  26           HD1      ARG  26  -3.307   1.973   3.228
  213    HE   ARG  26           HE       ARG  26  -4.822   4.195   3.198
  214   HH11  ARG  26          HH11      ARG  26  -5.479   0.939   4.286
  215   HH12  ARG  26          HH12      ARG  26  -6.529   1.438   5.573
  216   HH21  ARG  26          HH21      ARG  26  -6.228   4.861   4.890
  217   HH22  ARG  26          HH22      ARG  26  -6.973   3.663   5.903
  218    H    TYR  27           HN       TYR  27  -1.525  -0.992   2.237
  219    HA   TYR  27           HA       TYR  27  -1.465  -2.711  -0.144
  220    HB2  TYR  27           HB2      TYR  27  -0.186  -4.226   1.739
  221    HB3  TYR  27           HB1      TYR  27   0.605  -3.278   0.495
  222    HD1  TYR  27           HD1      TYR  27  -0.859  -2.666   3.876
  223    HD2  TYR  27           HD2      TYR  27   2.392  -2.050   1.217
  224    HE1  TYR  27           HE1      TYR  27   0.329  -1.375   5.618
  225    HE2  TYR  27           HE2      TYR  27   3.582  -0.786   2.947
  226    HH   TYR  27           HH       TYR  27   2.498  -0.705   6.217
  227    H    CYS  28           HN       CYS  28  -2.199  -4.822   0.088
  228    HA   CYS  28           HA       CYS  28  -4.716  -4.955   1.360
  229    HB2  CYS  28           HB2      CYS  28  -4.805  -7.222   0.379
  230    HB3  CYS  28           HB1      CYS  28  -4.317  -6.010  -0.794
  231    H    SER  29           HN       SER  29  -1.532  -6.106   2.170
  232    HA   SER  29           HA       SER  29  -2.192  -6.771   4.823
  233    HB2  SER  29           HB2      SER  29  -1.869  -9.105   2.915
  234    HB3  SER  29           HB1      SER  29  -1.656  -9.254   4.655
  235    HG   SER  29           HG       SER  29  -4.017  -8.086   3.706
  236    H    LEU  30           HN       LEU  30  -0.210  -8.548   5.494
  237    HA   LEU  30           HA       LEU  30   2.099  -6.924   5.386
  238    HB2  LEU  30           HB2      LEU  30   1.456  -8.579   7.190
  239    HB3  LEU  30           HB1      LEU  30   2.001  -9.847   6.112
  240    HG   LEU  30           HG       LEU  30   4.260  -8.696   6.092
  241   HD11  LEU  30          HD11      LEU  30   3.031  -7.227   8.418
  242   HD12  LEU  30          HD12      LEU  30   3.554  -6.517   6.892
  243   HD13  LEU  30          HD13      LEU  30   4.740  -7.221   7.989
  244   HD21  LEU  30          HD21      LEU  30   3.813 -10.731   7.369
  245   HD22  LEU  30          HD22      LEU  30   3.242  -9.758   8.723
  246   HD23  LEU  30          HD23      LEU  30   4.929  -9.666   8.221
  247    H    LYS  31           HN       LYS  31   0.925  -9.468   3.376
  248    HA   LYS  31           HA       LYS  31   3.179 -10.503   2.181
  249    HB2  LYS  31           HB2      LYS  31   0.567  -9.816   0.823
  250    HB3  LYS  31           HB1      LYS  31   1.777 -10.929   0.205
  251    HG2  LYS  31           HG2      LYS  31   0.234 -11.279   2.766
  252    HG3  LYS  31           HG1      LYS  31  -0.117 -12.082   1.235
  253    HD2  LYS  31           HD2      LYS  31   2.112 -13.127   1.298
  254    HD3  LYS  31           HD1      LYS  31   2.413 -12.357   2.857
  255    HE2  LYS  31           HE2      LYS  31   1.699 -14.691   3.107
  256    HE3  LYS  31           HE1      LYS  31   0.558 -13.566   3.844
  257    HZ1  LYS  31           HZ1      LYS  31  -0.859 -13.779   1.909
  258    HZ2  LYS  31           HZ2      LYS  31  -0.565 -15.298   2.587
  259    HZ3  LYS  31           HZ3      LYS  31   0.244 -14.832   1.178
  260    H    CYS  32           HN       CYS  32   1.482  -7.512   1.369
  261    HA   CYS  32           HA       CYS  32   3.533  -6.896  -0.614
  262    HB2  CYS  32           HB2      CYS  32   0.899  -5.556   0.016
  263    HB3  CYS  32           HB1      CYS  32   2.018  -5.025  -1.236
  264    H    TYR  33           HN       TYR  33   2.539  -6.091   2.568
  265    HA   TYR  33           HA       TYR  33   3.687  -3.567   2.884
  266    HB2  TYR  33           HB2      TYR  33   2.248  -4.797   4.563
  267    HB3  TYR  33           HB1      TYR  33   3.655  -5.772   4.960
  268    HD1  TYR  33           HD1      TYR  33   5.177  -2.812   4.359
  269    HD2  TYR  33           HD2      TYR  33   2.426  -4.478   7.142
  270    HE1  TYR  33           HE1      TYR  33   5.838  -1.125   6.014
  271    HE2  TYR  33           HE2      TYR  33   3.094  -2.800   8.809
  272    HH   TYR  33           HH       TYR  33   5.024  -1.348   9.293
  273    H    LYS  34           HN       LYS  34   5.099  -6.723   3.772
  274    HA   LYS  34           HA       LYS  34   7.742  -5.521   3.866
  275    HB2  LYS  34           HB2      LYS  34   6.829  -8.340   4.460
  276    HB3  LYS  34           HB1      LYS  34   8.457  -7.727   4.714
  277    HG2  LYS  34           HG2      LYS  34   7.568  -6.093   6.321
  278    HG3  LYS  34           HG1      LYS  34   5.958  -6.771   6.092
  279    HD2  LYS  34           HD2      LYS  34   6.950  -7.682   8.103
  280    HD3  LYS  34           HD1      LYS  34   6.783  -8.950   6.890
  281    HE2  LYS  34           HE2      LYS  34   9.134  -8.764   6.329
  282    HE3  LYS  34           HE1      LYS  34   9.320  -7.418   7.452
  283    HZ1  LYS  34           HZ1      LYS  34   8.592 -10.200   8.187
  284    HZ2  LYS  34           HZ2      LYS  34   8.758  -8.911   9.269
  285    HZ3  LYS  34           HZ3      LYS  34  10.104  -9.480   8.418
  286    H    ASP  35           HN       ASP  35   6.957  -5.301   1.366
  287    HA   ASP  35           HA       ASP  35   8.421  -7.409  -0.060
  288    HB2  ASP  35           HB2      ASP  35   6.025  -7.285  -0.682
  289    HB3  ASP  35           HB1      ASP  35   6.242  -5.597  -1.129
  290    H    ALA  36           HN       ALA  36   9.962  -6.737  -1.549
  291    HA   ALA  36           HA       ALA  36  10.551  -3.852  -1.583
  292    HB1  ALA  36           HB1      ALA  36  12.118  -4.954  -0.092
  293    HB2  ALA  36           HB2      ALA  36  12.945  -4.401  -1.547
  294    HB3  ALA  36           HB3      ALA  36  12.542  -6.106  -1.356
  295    H    ALA  37           HN       ALA  37   9.359  -6.099  -3.403
  296    HA   ALA  37           HA       ALA  37  11.090  -5.752  -5.743
  297    HB1  ALA  37           HB1      ALA  37   8.696  -7.536  -5.295
  298    HB2  ALA  37           HB2      ALA  37  10.389  -8.027  -5.252
  299    HB3  ALA  37           HB3      ALA  37   9.669  -7.484  -6.766
  300    H    LYS  38           HN       LYS  38   7.791  -5.266  -4.614
  301    HA   LYS  38           HA       LYS  38   7.316  -3.436  -6.874
  302    HB2  LYS  38           HB2      LYS  38   5.360  -4.839  -5.053
  303    HB3  LYS  38           HB1      LYS  38   4.917  -3.712  -6.329
  304    HG2  LYS  38           HG2      LYS  38   5.804  -5.203  -8.008
  305    HG3  LYS  38           HG1      LYS  38   6.379  -6.310  -6.757
  306    HD2  LYS  38           HD2      LYS  38   4.093  -6.698  -6.034
  307    HD3  LYS  38           HD1      LYS  38   3.498  -5.564  -7.244
  308    HE2  LYS  38           HE2      LYS  38   3.213  -7.838  -8.020
  309    HE3  LYS  38           HE1      LYS  38   4.401  -7.000  -9.015
  310    HZ1  LYS  38           HZ1      LYS  38   5.082  -9.263  -8.432
  311    HZ2  LYS  38           HZ2      LYS  38   5.057  -8.856  -6.794
  312    HZ3  LYS  38           HZ3      LYS  38   6.162  -8.110  -7.833
  313    H    HIS  39           HN       HIS  39   7.070  -3.829  -3.378
  314    HA   HIS  39           HA       HIS  39   6.365  -1.047  -2.966
  315    HB2  HIS  39           HB2      HIS  39   5.494  -2.874  -1.521
  316    HB3  HIS  39           HB1      HIS  39   7.129  -3.204  -0.985
  317    HD1  HIS  39           HD1      HIS  39   5.953  -2.761   1.416
  318    HD2  HIS  39           HD2      HIS  39   6.491   0.557  -1.035
  319    HE1  HIS  39           HE1      HIS  39   5.713  -0.739   2.892
  320    H    VAL  40           HN       VAL  40   7.943   0.427  -3.255
  321    HA   VAL  40           HA       VAL  40  10.626  -0.273  -2.286
  322    HB   VAL  40           HB       VAL  40  10.007   1.497  -4.658
  323   HG11  VAL  40          HG11      VAL  40  12.642   0.490  -3.587
  324   HG12  VAL  40          HG12      VAL  40  12.048   2.148  -3.497
  325   HG13  VAL  40          HG13      VAL  40  12.422   1.429  -5.064
  326   HG21  VAL  40          HG21      VAL  40   9.519  -0.845  -5.150
  327   HG22  VAL  40          HG22      VAL  40  11.130  -1.304  -4.597
  328   HG23  VAL  40          HG23      VAL  40  10.944  -0.295  -6.033
  329    H    HIS  41           HN       HIS  41  11.551   1.014  -0.914
  330    HA   HIS  41           HA       HIS  41  10.197   3.497  -0.237
  331    HB2  HIS  41           HB2      HIS  41  11.774   1.538   1.278
  332    HB3  HIS  41           HB1      HIS  41  12.089   3.222   1.692
  333    HD1  HIS  41           HD1      HIS  41  10.797   1.728   3.898
  334    HD2  HIS  41           HD2      HIS  41   8.624   3.453   0.828
  335    HE1  HIS  41           HE1      HIS  41   8.534   2.311   4.874
  336    H    LYS  42           HN       LYS  42  10.848   5.192  -1.267
  337    HA   LYS  42           HA       LYS  42  13.648   5.636  -1.876
  338    HB2  LYS  42           HB2      LYS  42  12.862   7.769  -2.841
  339    HB3  LYS  42           HB1      LYS  42  11.977   6.398  -3.487
  340    HG2  LYS  42           HG2      LYS  42  10.103   6.900  -2.010
  341    HG3  LYS  42           HG1      LYS  42  10.995   8.260  -1.333
  342    HD2  LYS  42           HD2      LYS  42   9.454   9.106  -2.963
  343    HD3  LYS  42           HD1      LYS  42  11.085   9.256  -3.612
  344    HE2  LYS  42           HE2      LYS  42   9.579   8.456  -5.331
  345    HE3  LYS  42           HE1      LYS  42  10.739   7.197  -4.913
  346    HZ1  LYS  42           HZ1      LYS  42   9.071   6.103  -3.592
  347    HZ2  LYS  42           HZ2      LYS  42   8.458   6.358  -5.148
  348    HZ3  LYS  42           HZ3      LYS  42   7.961   7.350  -3.871
  349    H    GLU  43           HN       GLU  43  13.463   8.535  -1.332
  350    HA   GLU  43           HA       GLU  43  14.506   8.573   1.282
  351    HB2  GLU  43           HB2      GLU  43  13.381  10.924  -0.241
  352    HB3  GLU  43           HB1      GLU  43  14.597  10.961   1.030
  353    HG2  GLU  43           HG2      GLU  43  16.166   9.804  -0.399
  354    HG3  GLU  43           HG1      GLU  43  14.948   9.676  -1.666
  355    H    SER  44           HN       SER  44  13.078   7.754   2.794
  356    HA   SER  44           HA       SER  44  10.560   9.226   3.148
  357    HB2  SER  44           HB2      SER  44  10.388   6.750   2.931
  358    HB3  SER  44           HB1      SER  44  11.373   6.586   4.384
  359    HG   SER  44           HG       SER  44   8.755   7.613   4.116
  360    H    GLU  45           HN       GLU  45  13.627   8.484   4.598
  361    HA   GLU  45           HA       GLU  45  12.925   9.597   7.167
  362    HB2  GLU  45           HB2      GLU  45  15.461   8.540   5.963
  363    HB3  GLU  45           HB1      GLU  45  15.515   9.476   7.447
  364    HG2  GLU  45           HG2      GLU  45  15.513   7.165   8.009
  365    HG3  GLU  45           HG1      GLU  45  13.958   7.847   8.475
  366    H    GLN  46           HN       GLN  46  12.143  11.541   5.754
  367    HA   GLN  46           HA       GLN  46  14.343  13.437   5.349
  368    HB2  GLN  46           HB2      GLN  46  11.439  13.585   4.514
  369    HB3  GLN  46           HB1      GLN  46  12.634  14.838   4.211
  370    HG2  GLN  46           HG2      GLN  46  13.940  13.203   2.888
  371    HG3  GLN  46           HG1      GLN  46  12.640  12.035   3.114
  372   HE21  GLN  46          HE21      GLN  46  12.078  15.451   2.666
  373   HE22  GLN  46          HE22      GLN  46  11.375  15.325   1.093
  Start of MODEL   10
    1    H1   GLY  -2           HT1      GLY  -2 -12.886  -0.815   4.844
    2    H2   GLY  -2           HT2      GLY  -2 -13.031   0.807   4.385
    3    H3   GLY  -2           HT3      GLY  -2 -14.404  -0.181   4.445
    4    HA2  GLY  -2           HA1      GLY  -2 -12.748   0.639   6.768
    5    HA3  GLY  -2           HA2      GLY  -2 -14.329   1.288   6.355
    6    HA   PRO  -1           HA       PRO  -1 -14.499  -2.402   9.399
    7    HB2  PRO  -1           HB2      PRO  -1 -16.283  -0.423  10.727
    8    HB3  PRO  -1           HB1      PRO  -1 -15.115  -1.540  11.440
    9    HG2  PRO  -1           HG2      PRO  -1 -14.553   1.047  11.247
   10    HG3  PRO  -1           HG1      PRO  -1 -13.306  -0.175  10.935
   11    HD2  PRO  -1           HD2      PRO  -1 -14.862   1.483   8.998
   12    HD3  PRO  -1           HD1      PRO  -1 -13.163   0.982   8.940
   13    H    HIS   0           HN       HIS   0 -17.227  -0.151   8.744
   14    HA   HIS   0           HA       HIS   0 -18.727  -2.512   7.823
   15    HB2  HIS   0           HB2      HIS   0 -20.796  -1.569   8.649
   16    HB3  HIS   0           HB1      HIS   0 -19.640  -1.676   9.963
   17    HD1  HIS   0           HD1      HIS   0 -19.722   0.296  11.440
   18    HD2  HIS   0           HD2      HIS   0 -20.733   1.280   7.527
   19    HE1  HIS   0           HE1      HIS   0 -20.310   2.741  11.480
   20    HE2  HIS   0           HE2      HIS   0 -20.783   3.340   9.082
   21    H    MET   1           HN       MET   1 -17.101  -0.170   6.593
   22    HA   MET   1           HA       MET   1 -19.128   0.530   4.577
   23    HB2  MET   1           HB2      MET   1 -16.694   2.082   5.456
   24    HB3  MET   1           HB1      MET   1 -17.634   2.476   4.026
   25    HG2  MET   1           HG2      MET   1 -19.611   2.812   5.449
   26    HG3  MET   1           HG1      MET   1 -18.618   2.485   6.868
   27    HE1  MET   1           HE1      MET   1 -19.259   4.864   3.838
   28    HE2  MET   1           HE2      MET   1 -17.552   4.480   3.618
   29    HE3  MET   1           HE3      MET   1 -18.035   6.113   4.074
   30    H    VAL   2           HN       VAL   2 -18.879  -0.508   2.750
   31    HA   VAL   2           HA       VAL   2 -16.289  -1.605   1.994
   32    HB   VAL   2           HB       VAL   2 -18.919  -1.783   0.504
   33   HG11  VAL   2          HG11      VAL   2 -16.955  -2.255  -0.865
   34   HG12  VAL   2          HG12      VAL   2 -17.902  -3.717  -0.590
   35   HG13  VAL   2          HG13      VAL   2 -16.411  -3.448   0.314
   36   HG21  VAL   2          HG21      VAL   2 -19.136  -2.722   2.751
   37   HG22  VAL   2          HG22      VAL   2 -17.726  -3.740   2.464
   38   HG23  VAL   2          HG23      VAL   2 -19.194  -3.981   1.520
   39    H    SER   3           HN       SER   3 -18.462   0.976   1.225
   40    HA   SER   3           HA       SER   3 -17.024   1.815  -1.133
   41    HB2  SER   3           HB2      SER   3 -19.130   3.279   0.482
   42    HB3  SER   3           HB1      SER   3 -18.578   3.698  -1.142
   43    HG   SER   3           HG       SER   3 -20.518   2.031  -0.460
   44    H    SER   4           HN       SER   4 -16.149   4.087  -1.211
   45    HA   SER   4           HA       SER   4 -14.566   5.586  -0.573
   46    HB2  SER   4           HB2      SER   4 -15.687   5.175   2.213
   47    HB3  SER   4           HB1      SER   4 -14.716   6.543   1.667
   48    HG   SER   4           HG       SER   4 -16.759   6.305   0.004
   49    H    ALA   5           HN       ALA   5 -13.692   3.049  -0.921
   50    HA   ALA   5           HA       ALA   5 -11.671   2.713   1.196
   51    HB1  ALA   5           HB1      ALA   5 -13.342   0.909   1.309
   52    HB2  ALA   5           HB2      ALA   5 -11.753   0.303   0.842
   53    HB3  ALA   5           HB3      ALA   5 -13.010   0.509  -0.377
   54    H    VAL   6           HN       VAL   6  -9.960   1.084   0.231
   55    HA   VAL   6           HA       VAL   6  -9.132   2.201  -2.343
   56    HB   VAL   6           HB       VAL   6  -8.249   3.512  -0.359
   57   HG11  VAL   6          HG11      VAL   6  -7.843   1.606   1.121
   58   HG12  VAL   6          HG12      VAL   6  -6.402   2.600   0.904
   59   HG13  VAL   6          HG13      VAL   6  -6.551   1.062   0.053
   60   HG21  VAL   6          HG21      VAL   6  -7.248   3.675  -2.531
   61   HG22  VAL   6          HG22      VAL   6  -6.275   2.236  -2.226
   62   HG23  VAL   6          HG23      VAL   6  -5.999   3.703  -1.289
   63    H    LYS   7           HN       LYS   7  -7.609   0.887  -3.463
   64    HA   LYS   7           HA       LYS   7  -7.659  -1.900  -2.546
   65    HB2  LYS   7           HB2      LYS   7  -7.049  -0.831  -5.306
   66    HB3  LYS   7           HB1      LYS   7  -7.250  -2.519  -4.866
   67    HG2  LYS   7           HG2      LYS   7  -9.380  -0.392  -4.773
   68    HG3  LYS   7           HG1      LYS   7  -9.224  -1.658  -5.990
   69    HD2  LYS   7           HD2      LYS   7  -9.562  -2.231  -3.057
   70    HD3  LYS   7           HD1      LYS   7 -10.925  -2.068  -4.162
   71    HE2  LYS   7           HE2      LYS   7  -8.673  -4.050  -4.481
   72    HE3  LYS   7           HE1      LYS   7 -10.239  -4.419  -3.762
   73    HZ1  LYS   7           HZ1      LYS   7  -9.782  -3.506  -6.550
   74    HZ2  LYS   7           HZ2      LYS   7 -11.291  -3.837  -5.861
   75    HZ3  LYS   7           HZ3      LYS   7 -10.168  -5.080  -6.069
   76    H    CYS   8           HN       CYS   8  -5.746  -3.215  -2.892
   77    HA   CYS   8           HA       CYS   8  -3.443  -2.057  -1.775
   78    HB2  CYS   8           HB2      CYS   8  -4.076  -4.471  -1.671
   79    HB3  CYS   8           HB1      CYS   8  -3.639  -4.622  -3.361
   80    H    GLY   9           HN       GLY   9  -2.033  -0.725  -2.716
   81    HA2  GLY   9           HA2      GLY   9  -1.966  -0.468  -5.601
   82    HA3  GLY   9           HA1      GLY   9  -1.102   0.526  -4.438
   83    H    ILE  10           HN       ILE  10  -0.764  -2.848  -4.021
   84    HA   ILE  10           HA       ILE  10   1.891  -2.705  -5.274
   85    HB   ILE  10           HB       ILE  10   1.130  -4.393  -2.891
   86   HG12  ILE  10          HG12      ILE  10   2.490  -1.704  -3.101
   87   HG13  ILE  10          HG11      ILE  10   1.043  -2.113  -2.188
   88   HG21  ILE  10          HG21      ILE  10   3.816  -3.772  -4.117
   89   HG22  ILE  10          HG22      ILE  10   2.957  -5.306  -4.241
   90   HG23  ILE  10          HG23      ILE  10   3.540  -4.744  -2.673
   91   HD11  ILE  10          HD11      ILE  10   3.788  -3.152  -1.576
   92   HD12  ILE  10          HD12      ILE  10   2.334  -3.363  -0.609
   93   HD13  ILE  10          HD13      ILE  10   3.044  -1.762  -0.795
   94    H    CYS  11           HN       CYS  11  -0.924  -4.758  -4.643
   95    HA   CYS  11           HA       CYS  11   0.023  -6.470  -6.841
   96    HB2  CYS  11           HB2      CYS  11  -1.058  -8.385  -5.848
   97    HB3  CYS  11           HB1      CYS  11   0.013  -7.650  -4.662
   98    H    ARG  12           HN       ARG  12  -2.381  -4.401  -5.715
   99    HA   ARG  12           HA       ARG  12  -4.363  -3.666  -6.502
  100    HB2  ARG  12           HB2      ARG  12  -3.401  -4.946  -9.065
  101    HB3  ARG  12           HB1      ARG  12  -4.751  -3.827  -8.941
  102    HG2  ARG  12           HG2      ARG  12  -1.901  -3.180  -8.214
  103    HG3  ARG  12           HG1      ARG  12  -2.680  -2.760  -9.739
  104    HD2  ARG  12           HD2      ARG  12  -4.270  -1.358  -8.586
  105    HD3  ARG  12           HD1      ARG  12  -3.636  -1.866  -7.023
  106    HE   ARG  12           HE       ARG  12  -1.506  -0.792  -8.419
  107   HH11  ARG  12          HH11      ARG  12  -4.621   0.343  -7.284
  108   HH12  ARG  12          HH12      ARG  12  -4.062   1.959  -6.984
  109   HH21  ARG  12          HH21      ARG  12  -0.763   1.313  -8.007
  110   HH22  ARG  12          HH22      ARG  12  -1.859   2.510  -7.394
  111    H    GLY  13           HN       GLY  13  -4.227  -6.297  -5.271
  112    HA2  GLY  13           HA2      GLY  13  -6.226  -7.858  -6.702
  113    HA3  GLY  13           HA1      GLY  13  -5.377  -8.338  -5.241
  114    H    VAL  14           HN       VAL  14  -5.990  -7.132  -3.237
  115    HA   VAL  14           HA       VAL  14  -8.897  -6.701  -3.275
  116    HB   VAL  14           HB       VAL  14  -9.001  -7.529  -0.990
  117   HG11  VAL  14          HG11      VAL  14  -9.253  -9.153  -2.770
  118   HG12  VAL  14          HG12      VAL  14  -8.424  -9.882  -1.393
  119   HG13  VAL  14          HG13      VAL  14  -7.507  -9.398  -2.819
  120   HG21  VAL  14          HG21      VAL  14  -6.036  -8.010  -1.245
  121   HG22  VAL  14          HG22      VAL  14  -7.054  -8.538   0.097
  122   HG23  VAL  14          HG23      VAL  14  -6.812  -6.816  -0.205
  123    H    ASP  15           HN       ASP  15  -9.298  -5.660  -0.804
  124    HA   ASP  15           HA       ASP  15  -8.662  -2.954  -1.174
  125    HB2  ASP  15           HB2      ASP  15  -9.600  -2.618   1.089
  126    HB3  ASP  15           HB1      ASP  15 -10.631  -3.627   0.082
  127    H    GLY  16           HN       GLY  16  -7.220  -1.597  -0.233
  128    HA2  GLY  16           HA2      GLY  16  -4.856  -2.812   0.959
  129    HA3  GLY  16           HA1      GLY  16  -5.035  -1.129   0.469
  130    H    LYS  17           HN       LYS  17  -6.308  -3.461   2.795
  131    HA   LYS  17           HA       LYS  17  -7.480  -1.623   4.537
  132    HB2  LYS  17           HB2      LYS  17  -7.185  -3.547   6.229
  133    HB3  LYS  17           HB1      LYS  17  -8.187  -3.813   4.810
  134    HG2  LYS  17           HG2      LYS  17  -6.529  -5.104   3.751
  135    HG3  LYS  17           HG1      LYS  17  -5.293  -4.601   4.899
  136    HD2  LYS  17           HD2      LYS  17  -5.793  -6.688   5.707
  137    HD3  LYS  17           HD1      LYS  17  -6.919  -5.704   6.640
  138    HE2  LYS  17           HE2      LYS  17  -7.543  -7.275   4.141
  139    HE3  LYS  17           HE1      LYS  17  -8.033  -7.676   5.783
  140    HZ1  LYS  17           HZ1      LYS  17  -9.283  -5.537   5.794
  141    HZ2  LYS  17           HZ2      LYS  17  -9.871  -6.683   4.703
  142    HZ3  LYS  17           HZ3      LYS  17  -8.949  -5.379   4.137
  143    H    TYR  18           HN       TYR  18  -4.163  -2.666   4.282
  144    HA   TYR  18           HA       TYR  18  -3.514  -1.183   6.731
  145    HB2  TYR  18           HB2      TYR  18  -2.105  -3.379   5.244
  146    HB3  TYR  18           HB1      TYR  18  -1.205  -2.315   6.317
  147    HD1  TYR  18           HD1      TYR  18  -4.371  -4.290   6.397
  148    HD2  TYR  18           HD2      TYR  18  -0.864  -3.080   8.458
  149    HE1  TYR  18           HE1      TYR  18  -5.026  -5.691   8.298
  150    HE2  TYR  18           HE2      TYR  18  -1.504  -4.478  10.378
  151    HH   TYR  18           HH       TYR  18  -3.578  -5.449  11.343
  152    H    LYS  19           HN       LYS  19  -1.691   0.280   6.681
  153    HA   LYS  19           HA       LYS  19  -1.164   1.391   4.012
  154    HB2  LYS  19           HB2      LYS  19  -3.044   2.556   5.281
  155    HB3  LYS  19           HB1      LYS  19  -1.825   3.066   6.434
  156    HG2  LYS  19           HG2      LYS  19  -1.438   3.703   3.552
  157    HG3  LYS  19           HG1      LYS  19  -2.594   4.635   4.496
  158    HD2  LYS  19           HD2      LYS  19  -0.603   4.812   6.188
  159    HD3  LYS  19           HD1      LYS  19   0.364   4.447   4.756
  160    HE2  LYS  19           HE2      LYS  19  -0.527   6.359   3.603
  161    HE3  LYS  19           HE1      LYS  19  -1.660   6.673   4.915
  162    HZ1  LYS  19           HZ1      LYS  19   0.214   7.127   6.374
  163    HZ2  LYS  19           HZ2      LYS  19   0.239   8.149   5.029
  164    HZ3  LYS  19           HZ3      LYS  19   1.301   6.839   5.110
  165    H    CYS  20           HN       CYS  20   0.816   2.447   3.781
  166    HA   CYS  20           HA       CYS  20   2.783   1.733   5.822
  167    HB2  CYS  20           HB2      CYS  20   3.163   1.081   3.448
  168    HB3  CYS  20           HB1      CYS  20   3.234   2.784   3.018
  169    HA   PRO  21           HA       PRO  21   2.274   6.000   7.160
  170    HB2  PRO  21           HB2      PRO  21   3.889   5.769   9.347
  171    HB3  PRO  21           HB1      PRO  21   2.206   5.234   9.318
  172    HG2  PRO  21           HG2      PRO  21   4.707   3.627   8.968
  173    HG3  PRO  21           HG1      PRO  21   3.254   3.244   9.912
  174    HD2  PRO  21           HD2      PRO  21   3.691   2.174   7.483
  175    HD3  PRO  21           HD1      PRO  21   2.060   2.589   8.043
  176    H    LYS  22           HN       LYS  22   5.027   4.389   6.041
  177    HA   LYS  22           HA       LYS  22   6.877   6.564   6.436
  178    HB2  LYS  22           HB2      LYS  22   7.150   4.133   4.664
  179    HB3  LYS  22           HB1      LYS  22   8.439   5.221   5.144
  180    HG2  LYS  22           HG2      LYS  22   6.889   3.399   6.971
  181    HG3  LYS  22           HG1      LYS  22   8.528   3.134   6.380
  182    HD2  LYS  22           HD2      LYS  22   9.018   5.439   7.466
  183    HD3  LYS  22           HD1      LYS  22   7.529   5.138   8.364
  184    HE2  LYS  22           HE2      LYS  22  10.021   3.444   8.324
  185    HE3  LYS  22           HE1      LYS  22   9.370   4.355   9.683
  186    HZ1  LYS  22           HZ1      LYS  22   7.449   2.886   9.694
  187    HZ2  LYS  22           HZ2      LYS  22   8.879   2.004   9.880
  188    HZ3  LYS  22           HZ3      LYS  22   8.080   2.010   8.391
  189    H    CYS  23           HN       CYS  23   5.602   4.963   3.499
  190    HA   CYS  23           HA       CYS  23   6.310   7.346   1.973
  191    HB2  CYS  23           HB2      CYS  23   5.924   5.917  -0.002
  192    HB3  CYS  23           HB1      CYS  23   7.091   5.211   1.104
  193    H    GLY  24           HN       GLY  24   3.558   5.351   2.821
  194    HA2  GLY  24           HA2      GLY  24   1.432   6.457   3.155
  195    HA3  GLY  24           HA1      GLY  24   1.788   7.445   1.746
  196    H    VAL  25           HN       VAL  25   2.700   4.182   1.424
  197    HA   VAL  25           HA       VAL  25   0.800   3.853  -0.704
  198    HB   VAL  25           HB       VAL  25   3.224   2.979  -0.624
  199   HG11  VAL  25          HG11      VAL  25   3.253   0.529   0.108
  200   HG12  VAL  25          HG12      VAL  25   1.836   0.941   1.076
  201   HG13  VAL  25          HG13      VAL  25   3.370   1.774   1.347
  202   HG21  VAL  25          HG21      VAL  25   1.699   2.506  -2.458
  203   HG22  VAL  25          HG22      VAL  25   1.010   1.156  -1.555
  204   HG23  VAL  25          HG23      VAL  25   2.689   1.094  -2.090
  205    H    ARG  26           HN       ARG  26  -0.584   1.969  -0.904
  206    HA   ARG  26           HA       ARG  26  -1.668   1.089   1.687
  207    HB2  ARG  26           HB2      ARG  26  -3.000   1.883  -0.879
  208    HB3  ARG  26           HB1      ARG  26  -3.787   0.716   0.176
  209    HG2  ARG  26           HG2      ARG  26  -2.876   3.429   1.093
  210    HG3  ARG  26           HG1      ARG  26  -4.501   3.085   0.495
  211    HD2  ARG  26           HD2      ARG  26  -4.729   1.346   2.233
  212    HD3  ARG  26           HD1      ARG  26  -3.148   1.802   2.861
  213    HE   ARG  26           HE       ARG  26  -4.568   4.126   2.877
  214   HH11  ARG  26          HH11      ARG  26  -5.135   0.920   4.146
  215   HH12  ARG  26          HH12      ARG  26  -5.956   1.487   5.569
  216   HH21  ARG  26          HH21      ARG  26  -5.685   4.879   4.722
  217   HH22  ARG  26          HH22      ARG  26  -6.287   3.740   5.886
  218    H    TYR  27           HN       TYR  27  -1.580  -1.033   2.067
  219    HA   TYR  27           HA       TYR  27  -1.446  -2.850  -0.235
  220    HB2  TYR  27           HB2      TYR  27  -0.055  -4.287   1.562
  221    HB3  TYR  27           HB1      TYR  27   0.683  -3.261   0.348
  222    HD1  TYR  27           HD1      TYR  27  -0.858  -2.666   3.694
  223    HD2  TYR  27           HD2      TYR  27   2.508  -2.153   1.160
  224    HE1  TYR  27           HE1      TYR  27   0.283  -1.406   5.459
  225    HE2  TYR  27           HE2      TYR  27   3.658  -0.901   2.931
  226    HH   TYR  27           HH       TYR  27   2.520  -0.846   6.142
  227    H    CYS  28           HN       CYS  28  -2.087  -4.987   0.172
  228    HA   CYS  28           HA       CYS  28  -4.587  -5.017   1.528
  229    HB2  CYS  28           HB2      CYS  28  -4.796  -7.267   0.552
  230    HB3  CYS  28           HB1      CYS  28  -4.314  -6.078  -0.647
  231    H    SER  29           HN       SER  29  -1.394  -5.981   2.346
  232    HA   SER  29           HA       SER  29  -1.964  -6.727   4.966
  233    HB2  SER  29           HB2      SER  29  -3.087  -8.675   3.814
  234    HB3  SER  29           HB1      SER  29  -1.512  -9.140   3.182
  235    HG   SER  29           HG       SER  29  -2.482  -9.961   5.381
  236    H    LEU  30           HN       LEU  30   0.022  -8.455   5.637
  237    HA   LEU  30           HA       LEU  30   2.392  -6.960   5.215
  238    HB2  LEU  30           HB2      LEU  30   1.996  -9.741   6.290
  239    HB3  LEU  30           HB1      LEU  30   3.546  -8.928   6.256
  240    HG   LEU  30           HG       LEU  30   1.120  -8.013   7.805
  241   HD11  LEU  30          HD11      LEU  30   3.730  -9.202   8.730
  242   HD12  LEU  30          HD12      LEU  30   2.164 -10.013   8.741
  243   HD13  LEU  30          HD13      LEU  30   2.437  -8.607   9.770
  244   HD21  LEU  30          HD21      LEU  30   2.464  -6.131   7.037
  245   HD22  LEU  30          HD22      LEU  30   3.919  -6.891   7.678
  246   HD23  LEU  30          HD23      LEU  30   2.645  -6.358   8.777
  247    H    LYS  31           HN       LYS  31   0.843  -9.425   3.462
  248    HA   LYS  31           HA       LYS  31   2.922 -10.713   2.167
  249    HB2  LYS  31           HB2      LYS  31   0.227  -9.954   1.020
  250    HB3  LYS  31           HB1      LYS  31   1.298 -11.190   0.380
  251    HG2  LYS  31           HG2      LYS  31   0.067 -11.264   3.125
  252    HG3  LYS  31           HG1      LYS  31  -0.583 -12.091   1.708
  253    HD2  LYS  31           HD2      LYS  31   1.493 -13.371   1.507
  254    HD3  LYS  31           HD1      LYS  31   2.142 -12.543   2.924
  255    HE2  LYS  31           HE2      LYS  31   1.274 -14.758   3.493
  256    HE3  LYS  31           HE1      LYS  31   0.373 -13.480   4.303
  257    HZ1  LYS  31           HZ1      LYS  31  -0.514 -14.804   1.803
  258    HZ2  LYS  31           HZ2      LYS  31  -1.399 -13.717   2.747
  259    HZ3  LYS  31           HZ3      LYS  31  -1.033 -15.254   3.348
  260    H    CYS  32           HN       CYS  32   1.519  -7.567   1.598
  261    HA   CYS  32           HA       CYS  32   3.438  -7.128  -0.579
  262    HB2  CYS  32           HB2      CYS  32   0.831  -5.733   0.034
  263    HB3  CYS  32           HB1      CYS  32   1.963  -5.203  -1.206
  264    H    TYR  33           HN       TYR  33   2.536  -6.192   2.605
  265    HA   TYR  33           HA       TYR  33   3.760  -3.673   2.794
  266    HB2  TYR  33           HB2      TYR  33   2.312  -4.860   4.550
  267    HB3  TYR  33           HB1      TYR  33   3.756  -5.763   4.984
  268    HD1  TYR  33           HD1      TYR  33   5.361  -2.986   4.287
  269    HD2  TYR  33           HD2      TYR  33   2.328  -4.209   6.995
  270    HE1  TYR  33           HE1      TYR  33   5.998  -1.157   5.811
  271    HE2  TYR  33           HE2      TYR  33   2.964  -2.410   8.539
  272    HH   TYR  33           HH       TYR  33   5.114  -1.041   8.991
  273    H    LYS  34           HN       LYS  34   5.047  -6.887   3.641
  274    HA   LYS  34           HA       LYS  34   7.723  -5.797   3.854
  275    HB2  LYS  34           HB2      LYS  34   6.703  -8.614   4.230
  276    HB3  LYS  34           HB1      LYS  34   8.340  -8.072   4.574
  277    HG2  LYS  34           HG2      LYS  34   7.439  -6.518   6.262
  278    HG3  LYS  34           HG1      LYS  34   5.823  -7.157   5.951
  279    HD2  LYS  34           HD2      LYS  34   6.580  -9.390   6.612
  280    HD3  LYS  34           HD1      LYS  34   8.194  -8.752   6.921
  281    HE2  LYS  34           HE2      LYS  34   7.246  -7.266   8.643
  282    HE3  LYS  34           HE1      LYS  34   5.659  -7.979   8.357
  283    HZ1  LYS  34           HZ1      LYS  34   6.701  -9.003  10.253
  284    HZ2  LYS  34           HZ2      LYS  34   8.067  -9.404   9.350
  285    HZ3  LYS  34           HZ3      LYS  34   6.583 -10.139   9.008
  286    H    ASP  35           HN       ASP  35   6.939  -5.403   1.372
  287    HA   ASP  35           HA       ASP  35   8.317  -7.442  -0.228
  288    HB2  ASP  35           HB2      ASP  35   5.973  -7.154  -0.871
  289    HB3  ASP  35           HB1      ASP  35   6.208  -5.421  -1.036
  290    H    ALA  36           HN       ALA  36   9.868  -6.710  -1.722
  291    HA   ALA  36           HA       ALA  36  10.692  -3.901  -1.410
  292    HB1  ALA  36           HB1      ALA  36  12.163  -5.363  -0.099
  293    HB2  ALA  36           HB2      ALA  36  13.026  -4.592  -1.429
  294    HB3  ALA  36           HB3      ALA  36  12.539  -6.283  -1.555
  295    H    ALA  37           HN       ALA  37   9.256  -5.690  -3.480
  296    HA   ALA  37           HA       ALA  37  11.006  -5.169  -5.785
  297    HB1  ALA  37           HB1      ALA  37  10.230  -7.468  -5.582
  298    HB2  ALA  37           HB2      ALA  37   9.523  -6.705  -7.005
  299    HB3  ALA  37           HB3      ALA  37   8.555  -6.914  -5.543
  300    H    LYS  38           HN       LYS  38   7.726  -4.765  -4.574
  301    HA   LYS  38           HA       LYS  38   7.311  -2.633  -6.564
  302    HB2  LYS  38           HB2      LYS  38   5.272  -4.444  -5.271
  303    HB3  LYS  38           HB1      LYS  38   4.896  -3.118  -6.365
  304    HG2  LYS  38           HG2      LYS  38   6.067  -4.214  -8.163
  305    HG3  LYS  38           HG1      LYS  38   6.590  -5.501  -7.076
  306    HD2  LYS  38           HD2      LYS  38   4.217  -6.077  -6.697
  307    HD3  LYS  38           HD1      LYS  38   3.760  -4.862  -7.892
  308    HE2  LYS  38           HE2      LYS  38   5.540  -7.240  -8.416
  309    HE3  LYS  38           HE1      LYS  38   3.831  -7.141  -8.831
  310    HZ1  LYS  38           HZ1      LYS  38   5.289  -6.646 -10.713
  311    HZ2  LYS  38           HZ2      LYS  38   5.938  -5.332  -9.877
  312    HZ3  LYS  38           HZ3      LYS  38   4.308  -5.328 -10.321
  313    H    HIS  39           HN       HIS  39   7.000  -3.617  -3.202
  314    HA   HIS  39           HA       HIS  39   6.153  -0.961  -2.394
  315    HB2  HIS  39           HB2      HIS  39   5.542  -3.018  -1.059
  316    HB3  HIS  39           HB1      HIS  39   7.242  -3.170  -0.626
  317    HD1  HIS  39           HD1      HIS  39   7.301  -2.481   1.816
  318    HD2  HIS  39           HD2      HIS  39   5.057   0.096  -0.543
  319    HE1  HIS  39           HE1      HIS  39   6.677  -0.521   3.291
  320    H    VAL  40           HN       VAL  40   7.683   0.487  -3.020
  321    HA   VAL  40           HA       VAL  40  10.462  -0.149  -2.337
  322    HB   VAL  40           HB       VAL  40   9.555   1.800  -4.452
  323   HG11  VAL  40          HG11      VAL  40  12.244   0.547  -3.910
  324   HG12  VAL  40          HG12      VAL  40  11.793   2.221  -3.585
  325   HG13  VAL  40          HG13      VAL  40  11.865   1.632  -5.246
  326   HG21  VAL  40          HG21      VAL  40   8.823  -0.438  -5.066
  327   HG22  VAL  40          HG22      VAL  40  10.449  -1.061  -4.788
  328   HG23  VAL  40          HG23      VAL  40  10.157   0.083  -6.098
  329    H    HIS  41           HN       HIS  41  11.645   1.136  -1.172
  330    HA   HIS  41           HA       HIS  41  10.495   3.706  -0.348
  331    HB2  HIS  41           HB2      HIS  41  11.728   1.508   1.230
  332    HB3  HIS  41           HB1      HIS  41  12.101   3.158   1.728
  333    HD1  HIS  41           HD1      HIS  41  10.401   1.382   3.591
  334    HD2  HIS  41           HD2      HIS  41   8.830   3.885   0.687
  335    HE1  HIS  41           HE1      HIS  41   8.093   2.053   4.393
  336    H    LYS  42           HN       LYS  42  11.873   3.764  -2.569
  337    HA   LYS  42           HA       LYS  42  14.367   5.082  -1.823
  338    HB2  LYS  42           HB2      LYS  42  14.951   2.755  -2.467
  339    HB3  LYS  42           HB1      LYS  42  14.179   3.013  -4.024
  340    HG2  LYS  42           HG2      LYS  42  15.810   4.810  -4.491
  341    HG3  LYS  42           HG1      LYS  42  16.617   4.428  -2.969
  342    HD2  LYS  42           HD2      LYS  42  16.983   2.125  -3.776
  343    HD3  LYS  42           HD1      LYS  42  16.243   2.568  -5.314
  344    HE2  LYS  42           HE2      LYS  42  17.987   4.220  -5.699
  345    HE3  LYS  42           HE1      LYS  42  18.715   3.836  -4.139
  346    HZ1  LYS  42           HZ1      LYS  42  18.446   1.980  -6.441
  347    HZ2  LYS  42           HZ2      LYS  42  19.101   1.578  -4.936
  348    HZ3  LYS  42           HZ3      LYS  42  19.876   2.716  -5.916
  349    H    GLU  43           HN       GLU  43  13.339   7.018  -2.279
  350    HA   GLU  43           HA       GLU  43  12.626   8.784  -3.511
  351    HB2  GLU  43           HB2      GLU  43  13.903   7.302  -5.813
  352    HB3  GLU  43           HB1      GLU  43  13.433   8.996  -5.817
  353    HG2  GLU  43           HG2      GLU  43  15.037   9.396  -3.978
  354    HG3  GLU  43           HG1      GLU  43  15.554   7.717  -4.119
  355    H    SER  44           HN       SER  44  10.960   6.371  -3.233
  356    HA   SER  44           HA       SER  44   9.241   6.678  -5.597
  357    HB2  SER  44           HB2      SER  44   8.348   4.388  -4.672
  358    HB3  SER  44           HB1      SER  44   9.848   4.436  -5.602
  359    HG   SER  44           HG       SER  44   9.432   3.917  -2.911
  360    H    GLU  45           HN       GLU  45   7.005   6.827  -5.289
  361    HA   GLU  45           HA       GLU  45   5.137   7.697  -4.359
  362    HB2  GLU  45           HB2      GLU  45   5.411   5.605  -2.949
  363    HB3  GLU  45           HB1      GLU  45   6.155   6.625  -1.728
  364    HG2  GLU  45           HG2      GLU  45   3.794   6.182  -1.262
  365    HG3  GLU  45           HG1      GLU  45   4.118   7.899  -1.490
  366    H    GLN  46           HN       GLN  46   7.392   9.315  -4.668
  367    HA   GLN  46           HA       GLN  46   6.669  11.504  -2.956
  368    HB2  GLN  46           HB2      GLN  46   8.350  10.360  -1.563
  369    HB3  GLN  46           HB1      GLN  46   9.503  10.445  -2.888
  370    HG2  GLN  46           HG2      GLN  46   9.944  12.171  -1.242
  371    HG3  GLN  46           HG1      GLN  46   9.459  12.881  -2.780
  372   HE21  GLN  46          HE21      GLN  46   7.417  13.854  -2.955
  373   HE22  GLN  46          HE22      GLN  46   6.519  14.334  -1.557
  Start of MODEL   11
    1    H1   GLY  -2           HT1      GLY  -2 -13.864  12.181  -1.986
    2    H2   GLY  -2           HT2      GLY  -2 -13.112  13.682  -2.167
    3    H3   GLY  -2           HT3      GLY  -2 -14.546  13.353  -2.995
    4    HA2  GLY  -2           HA1      GLY  -2 -14.999  14.777  -1.118
    5    HA3  GLY  -2           HA2      GLY  -2 -15.751  13.201  -0.910
    6    HA   PRO  -1           HA       PRO  -1 -11.808  13.802   1.969
    7    HB2  PRO  -1           HB2      PRO  -1 -12.502  16.491   2.956
    8    HB3  PRO  -1           HB1      PRO  -1 -10.938  15.846   2.452
    9    HG2  PRO  -1           HG2      PRO  -1 -12.268  17.627   0.955
   10    HG3  PRO  -1           HG1      PRO  -1 -11.304  16.329   0.226
   11    HD2  PRO  -1           HD2      PRO  -1 -14.272  16.517   0.582
   12    HD3  PRO  -1           HD1      PRO  -1 -13.338  15.914  -0.804
   13    H    HIS   0           HN       HIS   0 -14.988  15.192   2.573
   14    HA   HIS   0           HA       HIS   0 -14.950  14.713   5.385
   15    HB2  HIS   0           HB2      HIS   0 -16.379  16.445   4.406
   16    HB3  HIS   0           HB1      HIS   0 -17.273  15.222   3.511
   17    HD1  HIS   0           HD1      HIS   0 -19.445  14.741   4.551
   18    HD2  HIS   0           HD2      HIS   0 -16.576  15.738   7.388
   19    HE1  HIS   0           HE1      HIS   0 -20.624  14.646   6.767
   20    HE2  HIS   0           HE2      HIS   0 -18.916  15.431   8.441
   21    H    MET   1           HN       MET   1 -15.945  12.897   2.579
   22    HA   MET   1           HA       MET   1 -17.269  10.875   4.189
   23    HB2  MET   1           HB2      MET   1 -16.806  11.082   1.211
   24    HB3  MET   1           HB1      MET   1 -17.660   9.757   1.985
   25    HG2  MET   1           HG2      MET   1 -18.475  12.651   2.035
   26    HG3  MET   1           HG1      MET   1 -19.198  11.385   1.043
   27    HE1  MET   1           HE1      MET   1 -20.542   9.338   2.012
   28    HE2  MET   1           HE2      MET   1 -20.879   9.088   3.725
   29    HE3  MET   1           HE3      MET   1 -19.235   8.909   3.115
   30    H    VAL   2           HN       VAL   2 -14.882  10.605   1.579
   31    HA   VAL   2           HA       VAL   2 -13.375   8.945   1.138
   32    HB   VAL   2           HB       VAL   2 -12.135  10.758   2.277
   33   HG11  VAL   2          HG11      VAL   2 -11.311  10.453   4.558
   34   HG12  VAL   2          HG12      VAL   2 -12.348   9.037   4.736
   35   HG13  VAL   2          HG13      VAL   2 -13.066  10.630   4.502
   36   HG21  VAL   2          HG21      VAL   2 -10.918   8.959   1.236
   37   HG22  VAL   2          HG22      VAL   2 -11.044   7.984   2.700
   38   HG23  VAL   2          HG23      VAL   2 -10.090   9.466   2.707
   39    H    SER   3           HN       SER   3 -15.529   7.619   1.917
   40    HA   SER   3           HA       SER   3 -14.454   5.473   3.612
   41    HB2  SER   3           HB2      SER   3 -17.296   6.515   3.589
   42    HB3  SER   3           HB1      SER   3 -16.742   5.099   4.483
   43    HG   SER   3           HG       SER   3 -15.588   7.671   4.825
   44    H    SER   4           HN       SER   4 -14.348   5.697   0.756
   45    HA   SER   4           HA       SER   4 -16.215   3.579  -0.051
   46    HB2  SER   4           HB2      SER   4 -16.217   5.625  -1.447
   47    HB3  SER   4           HB1      SER   4 -14.508   5.380  -1.793
   48    HG   SER   4           HG       SER   4 -15.342   3.185  -2.536
   49    H    ALA   5           HN       ALA   5 -13.475   3.674   1.422
   50    HA   ALA   5           HA       ALA   5 -11.774   2.221   1.766
   51    HB1  ALA   5           HB1      ALA   5 -13.155   0.465  -0.260
   52    HB2  ALA   5           HB2      ALA   5 -13.513   0.497   1.467
   53    HB3  ALA   5           HB3      ALA   5 -11.928  -0.036   0.905
   54    H    VAL   6           HN       VAL   6 -10.300   0.609   0.206
   55    HA   VAL   6           HA       VAL   6  -9.392   2.090  -2.088
   56    HB   VAL   6           HB       VAL   6  -8.571   3.277   0.056
   57   HG11  VAL   6          HG11      VAL   6  -6.682   0.934   0.060
   58   HG12  VAL   6          HG12      VAL   6  -7.888   1.303   1.291
   59   HG13  VAL   6          HG13      VAL   6  -6.524   2.392   1.040
   60   HG21  VAL   6          HG21      VAL   6  -7.745   3.795  -2.132
   61   HG22  VAL   6          HG22      VAL   6  -6.624   2.434  -2.066
   62   HG23  VAL   6          HG23      VAL   6  -6.422   3.801  -0.969
   63    H    LYS   7           HN       LYS   7  -7.727   0.914  -3.226
   64    HA   LYS   7           HA       LYS   7  -7.714  -1.921  -2.460
   65    HB2  LYS   7           HB2      LYS   7  -7.135  -0.692  -5.161
   66    HB3  LYS   7           HB1      LYS   7  -7.271  -2.408  -4.803
   67    HG2  LYS   7           HG2      LYS   7  -9.476  -0.381  -4.622
   68    HG3  LYS   7           HG1      LYS   7  -9.281  -1.624  -5.860
   69    HD2  LYS   7           HD2      LYS   7  -9.486  -3.355  -4.122
   70    HD3  LYS   7           HD1      LYS   7  -9.733  -2.092  -2.912
   71    HE2  LYS   7           HE2      LYS   7 -11.706  -1.331  -4.204
   72    HE3  LYS   7           HE1      LYS   7 -11.487  -2.712  -5.274
   73    HZ1  LYS   7           HZ1      LYS   7 -13.143  -3.120  -3.540
   74    HZ2  LYS   7           HZ2      LYS   7 -11.965  -2.892  -2.343
   75    HZ3  LYS   7           HZ3      LYS   7 -11.844  -4.191  -3.427
   76    H    CYS   8           HN       CYS   8  -5.800  -3.180  -2.817
   77    HA   CYS   8           HA       CYS   8  -3.491  -2.031  -1.697
   78    HB2  CYS   8           HB2      CYS   8  -4.070  -4.444  -1.614
   79    HB3  CYS   8           HB1      CYS   8  -3.710  -4.569  -3.326
   80    H    GLY   9           HN       GLY   9  -2.124  -0.662  -2.617
   81    HA2  GLY   9           HA2      GLY   9  -2.103  -0.309  -5.485
   82    HA3  GLY   9           HA1      GLY   9  -1.223   0.646  -4.301
   83    H    ILE  10           HN       ILE  10  -0.793  -2.697  -3.908
   84    HA   ILE  10           HA       ILE  10   1.842  -2.463  -5.187
   85    HB   ILE  10           HB       ILE  10   1.086  -4.237  -2.863
   86   HG12  ILE  10          HG12      ILE  10   2.387  -1.519  -3.004
   87   HG13  ILE  10          HG11      ILE  10   0.990  -2.011  -2.057
   88   HG21  ILE  10          HG21      ILE  10   3.782  -3.559  -4.019
   89   HG22  ILE  10          HG22      ILE  10   2.931  -5.084  -4.251
   90   HG23  ILE  10          HG23      ILE  10   3.476  -4.613  -2.640
   91   HD11  ILE  10          HD11      ILE  10   2.405  -3.310  -0.595
   92   HD12  ILE  10          HD12      ILE  10   2.976  -1.646  -0.686
   93   HD13  ILE  10          HD13      ILE  10   3.812  -2.915  -1.576
   94    H    CYS  11           HN       CYS  11  -0.906  -4.632  -4.638
   95    HA   CYS  11           HA       CYS  11   0.106  -6.232  -6.893
   96    HB2  CYS  11           HB2      CYS  11  -0.921  -8.208  -5.972
   97    HB3  CYS  11           HB1      CYS  11   0.106  -7.473  -4.744
   98    H    ARG  12           HN       ARG  12  -2.409  -4.319  -5.674
   99    HA   ARG  12           HA       ARG  12  -4.352  -3.556  -6.520
  100    HB2  ARG  12           HB2      ARG  12  -3.348  -4.823  -9.077
  101    HB3  ARG  12           HB1      ARG  12  -4.723  -3.732  -8.969
  102    HG2  ARG  12           HG2      ARG  12  -1.892  -3.024  -8.218
  103    HG3  ARG  12           HG1      ARG  12  -2.676  -2.612  -9.744
  104    HD2  ARG  12           HD2      ARG  12  -4.325  -1.284  -8.572
  105    HD3  ARG  12           HD1      ARG  12  -3.640  -1.754  -7.020
  106    HE   ARG  12           HE       ARG  12  -1.573  -0.585  -8.420
  107   HH11  ARG  12          HH11      ARG  12  -4.768   0.387  -7.369
  108   HH12  ARG  12          HH12      ARG  12  -4.330   2.048  -7.149
  109   HH21  ARG  12          HH21      ARG  12  -1.002   1.621  -8.139
  110   HH22  ARG  12          HH22      ARG  12  -2.197   2.751  -7.587
  111    H    GLY  13           HN       GLY  13  -4.258  -6.137  -5.240
  112    HA2  GLY  13           HA2      GLY  13  -6.212  -7.743  -6.677
  113    HA3  GLY  13           HA1      GLY  13  -5.404  -8.178  -5.180
  114    H    VAL  14           HN       VAL  14  -6.112  -7.093  -3.204
  115    HA   VAL  14           HA       VAL  14  -8.999  -6.562  -3.351
  116    HB   VAL  14           HB       VAL  14  -9.222  -7.436  -1.115
  117   HG11  VAL  14          HG11      VAL  14  -9.335  -9.065  -2.887
  118   HG12  VAL  14          HG12      VAL  14  -8.550  -9.777  -1.478
  119   HG13  VAL  14          HG13      VAL  14  -7.583  -9.261  -2.859
  120   HG21  VAL  14          HG21      VAL  14  -7.288  -8.450   0.060
  121   HG22  VAL  14          HG22      VAL  14  -7.162  -6.701  -0.119
  122   HG23  VAL  14          HG23      VAL  14  -6.228  -7.763  -1.170
  123    H    ASP  15           HN       ASP  15  -9.456  -5.569  -0.854
  124    HA   ASP  15           HA       ASP  15  -8.747  -2.863  -1.134
  125    HB2  ASP  15           HB2      ASP  15  -9.865  -4.334   1.261
  126    HB3  ASP  15           HB1      ASP  15  -9.716  -2.585   1.155
  127    H    GLY  16           HN       GLY  16  -7.265  -1.597  -0.158
  128    HA2  GLY  16           HA2      GLY  16  -4.962  -2.909   1.031
  129    HA3  GLY  16           HA1      GLY  16  -5.103  -1.203   0.618
  130    H    LYS  17           HN       LYS  17  -6.201  -3.647   2.900
  131    HA   LYS  17           HA       LYS  17  -7.435  -1.935   4.731
  132    HB2  LYS  17           HB2      LYS  17  -6.981  -3.854   6.369
  133    HB3  LYS  17           HB1      LYS  17  -7.976  -4.185   4.960
  134    HG2  LYS  17           HG2      LYS  17  -6.282  -5.383   3.894
  135    HG3  LYS  17           HG1      LYS  17  -5.032  -4.734   4.952
  136    HD2  LYS  17           HD2      LYS  17  -5.458  -6.996   5.606
  137    HD3  LYS  17           HD1      LYS  17  -6.120  -5.932   6.846
  138    HE2  LYS  17           HE2      LYS  17  -8.347  -6.181   5.847
  139    HE3  LYS  17           HE1      LYS  17  -7.675  -7.286   4.650
  140    HZ1  LYS  17           HZ1      LYS  17  -7.006  -8.742   6.498
  141    HZ2  LYS  17           HZ2      LYS  17  -8.680  -8.531   6.415
  142    HZ3  LYS  17           HZ3      LYS  17  -7.782  -7.705   7.584
  143    H    TYR  18           HN       TYR  18  -4.065  -2.748   4.323
  144    HA   TYR  18           HA       TYR  18  -3.433  -1.200   6.740
  145    HB2  TYR  18           HB2      TYR  18  -1.918  -3.342   5.266
  146    HB3  TYR  18           HB1      TYR  18  -1.088  -2.228   6.339
  147    HD1  TYR  18           HD1      TYR  18  -4.257  -4.211   6.534
  148    HD2  TYR  18           HD2      TYR  18  -0.563  -3.176   8.360
  149    HE1  TYR  18           HE1      TYR  18  -4.799  -5.670   8.430
  150    HE2  TYR  18           HE2      TYR  18  -1.096  -4.625  10.271
  151    HH   TYR  18           HH       TYR  18  -3.653  -6.879  10.202
  152    H    LYS  19           HN       LYS  19  -1.753   0.394   6.612
  153    HA   LYS  19           HA       LYS  19  -1.213   1.374   3.897
  154    HB2  LYS  19           HB2      LYS  19  -3.214   2.510   4.992
  155    HB3  LYS  19           HB1      LYS  19  -2.084   3.168   6.163
  156    HG2  LYS  19           HG2      LYS  19  -1.563   3.615   3.267
  157    HG3  LYS  19           HG1      LYS  19  -2.833   4.541   4.061
  158    HD2  LYS  19           HD2      LYS  19  -1.053   5.101   5.823
  159    HD3  LYS  19           HD1      LYS  19   0.110   4.501   4.635
  160    HE2  LYS  19           HE2      LYS  19  -0.492   6.156   3.068
  161    HE3  LYS  19           HE1      LYS  19  -1.935   6.599   3.975
  162    HZ1  LYS  19           HZ1      LYS  19  -0.223   8.242   4.281
  163    HZ2  LYS  19           HZ2      LYS  19   0.873   7.075   4.817
  164    HZ3  LYS  19           HZ3      LYS  19  -0.492   7.441   5.746
  165    H    CYS  20           HN       CYS  20   0.717   2.527   3.673
  166    HA   CYS  20           HA       CYS  20   2.605   2.077   5.872
  167    HB2  CYS  20           HB2      CYS  20   3.102   1.235   3.555
  168    HB3  CYS  20           HB1      CYS  20   3.218   2.907   3.029
  169    HA   PRO  21           HA       PRO  21   1.953   6.481   6.643
  170    HB2  PRO  21           HB2      PRO  21   3.348   6.550   8.971
  171    HB3  PRO  21           HB1      PRO  21   1.695   5.935   8.856
  172    HG2  PRO  21           HG2      PRO  21   4.280   4.417   8.887
  173    HG3  PRO  21           HG1      PRO  21   2.780   4.085   9.774
  174    HD2  PRO  21           HD2      PRO  21   3.416   2.753   7.520
  175    HD3  PRO  21           HD1      PRO  21   1.738   3.168   7.923
  176    H    LYS  22           HN       LYS  22   4.715   4.892   5.690
  177    HA   LYS  22           HA       LYS  22   6.478   7.191   6.037
  178    HB2  LYS  22           HB2      LYS  22   7.006   4.494   4.782
  179    HB3  LYS  22           HB1      LYS  22   8.211   5.737   5.076
  180    HG2  LYS  22           HG2      LYS  22   6.611   4.336   7.199
  181    HG3  LYS  22           HG1      LYS  22   8.267   3.936   6.741
  182    HD2  LYS  22           HD2      LYS  22   7.305   6.546   7.912
  183    HD3  LYS  22           HD1      LYS  22   8.261   5.316   8.739
  184    HE2  LYS  22           HE2      LYS  22  10.067   5.668   7.085
  185    HE3  LYS  22           HE1      LYS  22   9.116   6.963   6.362
  186    HZ1  LYS  22           HZ1      LYS  22  10.181   6.903   9.131
  187    HZ2  LYS  22           HZ2      LYS  22   9.197   8.126   8.499
  188    HZ3  LYS  22           HZ3      LYS  22  10.739   7.870   7.861
  189    H    CYS  23           HN       CYS  23   5.567   5.072   3.319
  190    HA   CYS  23           HA       CYS  23   6.351   7.196   1.484
  191    HB2  CYS  23           HB2      CYS  23   6.221   5.456  -0.264
  192    HB3  CYS  23           HB1      CYS  23   7.266   4.975   1.061
  193    H    GLY  24           HN       GLY  24   3.549   5.518   2.647
  194    HA2  GLY  24           HA2      GLY  24   1.426   6.563   2.647
  195    HA3  GLY  24           HA1      GLY  24   1.887   7.450   1.202
  196    H    VAL  25           HN       VAL  25   2.607   4.100   1.388
  197    HA   VAL  25           HA       VAL  25   0.858   3.655  -0.882
  198    HB   VAL  25           HB       VAL  25   3.307   2.880  -0.724
  199   HG11  VAL  25          HG11      VAL  25   1.986   0.757   0.954
  200   HG12  VAL  25          HG12      VAL  25   3.340   1.806   1.392
  201   HG13  VAL  25          HG13      VAL  25   3.552   0.559   0.165
  202   HG21  VAL  25          HG21      VAL  25   2.855   0.901  -2.093
  203   HG22  VAL  25          HG22      VAL  25   1.838   2.268  -2.548
  204   HG23  VAL  25          HG23      VAL  25   1.165   0.949  -1.590
  205    H    ARG  26           HN       ARG  26  -0.524   1.844  -0.999
  206    HA   ARG  26           HA       ARG  26  -1.642   1.015   1.589
  207    HB2  ARG  26           HB2      ARG  26  -2.921   1.535  -1.086
  208    HB3  ARG  26           HB1      ARG  26  -3.709   0.516   0.109
  209    HG2  ARG  26           HG2      ARG  26  -2.836   3.331   0.679
  210    HG3  ARG  26           HG1      ARG  26  -4.436   2.917   0.056
  211    HD2  ARG  26           HD2      ARG  26  -4.758   1.429   2.005
  212    HD3  ARG  26           HD1      ARG  26  -3.205   1.967   2.639
  213    HE   ARG  26           HE       ARG  26  -4.434   4.292   2.375
  214   HH11  ARG  26          HH11      ARG  26  -5.676   1.262   3.618
  215   HH12  ARG  26          HH12      ARG  26  -6.757   2.020   4.745
  216   HH21  ARG  26          HH21      ARG  26  -5.860   5.298   3.858
  217   HH22  ARG  26          HH22      ARG  26  -6.861   4.317   4.880
  218    H    TYR  27           HN       TYR  27  -1.607  -1.108   2.037
  219    HA   TYR  27           HA       TYR  27  -1.313  -2.961  -0.209
  220    HB2  TYR  27           HB2      TYR  27   0.061  -4.321   1.683
  221    HB3  TYR  27           HB1      TYR  27   0.808  -3.325   0.450
  222    HD1  TYR  27           HD1      TYR  27  -0.821  -2.621   3.737
  223    HD2  TYR  27           HD2      TYR  27   2.612  -2.172   1.279
  224    HE1  TYR  27           HE1      TYR  27   0.269  -1.291   5.492
  225    HE2  TYR  27           HE2      TYR  27   3.705  -0.847   3.038
  226    HH   TYR  27           HH       TYR  27   3.281   0.336   5.001
  227    H    CYS  28           HN       CYS  28  -2.098  -4.992   0.060
  228    HA   CYS  28           HA       CYS  28  -4.561  -5.086   1.450
  229    HB2  CYS  28           HB2      CYS  28  -4.758  -7.323   0.432
  230    HB3  CYS  28           HB1      CYS  28  -4.291  -6.102  -0.742
  231    H    SER  29           HN       SER  29  -1.371  -6.055   2.257
  232    HA   SER  29           HA       SER  29  -1.930  -6.759   4.876
  233    HB2  SER  29           HB2      SER  29  -3.062  -8.732   3.684
  234    HB3  SER  29           HB1      SER  29  -1.448  -9.252   3.223
  235    HG   SER  29           HG       SER  29  -2.412  -8.880   5.875
  236    H    LEU  30           HN       LEU  30  -0.009  -8.607   5.479
  237    HA   LEU  30           HA       LEU  30   2.386  -7.153   5.228
  238    HB2  LEU  30           HB2      LEU  30   1.786  -9.943   6.144
  239    HB3  LEU  30           HB1      LEU  30   3.428  -9.335   6.080
  240    HG   LEU  30           HG       LEU  30   1.184  -8.167   7.733
  241   HD11  LEU  30          HD11      LEU  30   1.926 -10.315   8.584
  242   HD12  LEU  30          HD12      LEU  30   2.479  -9.013   9.636
  243   HD13  LEU  30          HD13      LEU  30   3.606  -9.781   8.518
  244   HD21  LEU  30          HD21      LEU  30   2.924  -6.772   8.728
  245   HD22  LEU  30          HD22      LEU  30   2.785  -6.465   6.997
  246   HD23  LEU  30          HD23      LEU  30   4.112  -7.445   7.614
  247    H    LYS  31           HN       LYS  31   0.913  -9.501   3.201
  248    HA   LYS  31           HA       LYS  31   3.172 -10.654   2.013
  249    HB2  LYS  31           HB2      LYS  31   0.469 -10.142   0.760
  250    HB3  LYS  31           HB1      LYS  31   1.682 -11.265   0.160
  251    HG2  LYS  31           HG2      LYS  31   0.214 -11.453   2.783
  252    HG3  LYS  31           HG1      LYS  31  -0.051 -12.454   1.353
  253    HD2  LYS  31           HD2      LYS  31   2.270 -13.282   1.546
  254    HD3  LYS  31           HD1      LYS  31   2.465 -12.332   3.019
  255    HE2  LYS  31           HE2      LYS  31   0.579 -13.592   4.021
  256    HE3  LYS  31           HE1      LYS  31   0.523 -14.594   2.573
  257    HZ1  LYS  31           HZ1      LYS  31   2.854 -14.341   4.395
  258    HZ2  LYS  31           HZ2      LYS  31   2.768 -15.330   3.026
  259    HZ3  LYS  31           HZ3      LYS  31   1.778 -15.643   4.357
  260    H    CYS  32           HN       CYS  32   1.545  -7.629   1.414
  261    HA   CYS  32           HA       CYS  32   3.475  -7.021  -0.704
  262    HB2  CYS  32           HB2      CYS  32   0.838  -5.731   0.001
  263    HB3  CYS  32           HB1      CYS  32   1.940  -5.113  -1.226
  264    H    TYR  33           HN       TYR  33   2.542  -6.253   2.519
  265    HA   TYR  33           HA       TYR  33   3.705  -3.729   2.854
  266    HB2  TYR  33           HB2      TYR  33   2.289  -5.095   4.521
  267    HB3  TYR  33           HB1      TYR  33   3.783  -5.926   4.932
  268    HD1  TYR  33           HD1      TYR  33   5.179  -3.012   4.353
  269    HD2  TYR  33           HD2      TYR  33   2.269  -4.572   7.013
  270    HE1  TYR  33           HE1      TYR  33   5.677  -1.190   5.948
  271    HE2  TYR  33           HE2      TYR  33   2.780  -2.799   8.634
  272    HH   TYR  33           HH       TYR  33   4.707  -0.069   7.825
  273    H    LYS  34           HN       LYS  34   5.051  -6.931   3.480
  274    HA   LYS  34           HA       LYS  34   7.725  -5.836   3.729
  275    HB2  LYS  34           HB2      LYS  34   6.908  -8.721   3.970
  276    HB3  LYS  34           HB1      LYS  34   8.293  -7.914   4.695
  277    HG2  LYS  34           HG2      LYS  34   6.759  -6.599   6.092
  278    HG3  LYS  34           HG1      LYS  34   5.402  -7.472   5.403
  279    HD2  LYS  34           HD2      LYS  34   6.004  -8.412   7.566
  280    HD3  LYS  34           HD1      LYS  34   6.307  -9.577   6.278
  281    HE2  LYS  34           HE2      LYS  34   8.130  -9.565   7.895
  282    HE3  LYS  34           HE1      LYS  34   8.684  -9.011   6.318
  283    HZ1  LYS  34           HZ1      LYS  34   7.955  -7.228   8.576
  284    HZ2  LYS  34           HZ2      LYS  34   8.609  -6.752   7.091
  285    HZ3  LYS  34           HZ3      LYS  34   9.534  -7.670   8.166
  286    H    ASP  35           HN       ASP  35   6.621  -5.675   1.142
  287    HA   ASP  35           HA       ASP  35   8.133  -7.689  -0.357
  288    HB2  ASP  35           HB2      ASP  35   5.812  -7.447  -1.081
  289    HB3  ASP  35           HB1      ASP  35   6.036  -5.714  -1.293
  290    H    ALA  36           HN       ALA  36   9.787  -7.092  -1.682
  291    HA   ALA  36           HA       ALA  36  10.628  -4.277  -1.491
  292    HB1  ALA  36           HB1      ALA  36  12.069  -5.779  -0.200
  293    HB2  ALA  36           HB2      ALA  36  12.939  -5.041  -1.544
  294    HB3  ALA  36           HB3      ALA  36  12.397  -6.714  -1.658
  295    H    ALA  37           HN       ALA  37   9.055  -5.863  -3.574
  296    HA   ALA  37           HA       ALA  37  10.829  -5.426  -5.883
  297    HB1  ALA  37           HB1      ALA  37   9.241  -6.767  -7.159
  298    HB2  ALA  37           HB2      ALA  37   8.197  -6.899  -5.744
  299    HB3  ALA  37           HB3      ALA  37   9.794  -7.645  -5.734
  300    H    LYS  38           HN       LYS  38   7.591  -4.773  -4.656
  301    HA   LYS  38           HA       LYS  38   7.293  -2.556  -6.571
  302    HB2  LYS  38           HB2      LYS  38   5.361  -4.115  -4.881
  303    HB3  LYS  38           HB1      LYS  38   4.910  -2.572  -5.590
  304    HG2  LYS  38           HG2      LYS  38   5.918  -4.900  -7.195
  305    HG3  LYS  38           HG1      LYS  38   4.211  -4.606  -6.864
  306    HD2  LYS  38           HD2      LYS  38   4.488  -2.342  -7.885
  307    HD3  LYS  38           HD1      LYS  38   6.117  -2.823  -8.364
  308    HE2  LYS  38           HE2      LYS  38   5.178  -4.688  -9.643
  309    HE3  LYS  38           HE1      LYS  38   3.555  -4.182  -9.175
  310    HZ1  LYS  38           HZ1      LYS  38   5.468  -2.555 -10.760
  311    HZ2  LYS  38           HZ2      LYS  38   3.891  -2.106 -10.346
  312    HZ3  LYS  38           HZ3      LYS  38   4.154  -3.408 -11.391
  313    H    HIS  39           HN       HIS  39   7.045  -3.375  -3.149
  314    HA   HIS  39           HA       HIS  39   6.682  -0.630  -2.359
  315    HB2  HIS  39           HB2      HIS  39   5.673  -2.614  -1.162
  316    HB3  HIS  39           HB1      HIS  39   7.290  -3.020  -0.605
  317    HD1  HIS  39           HD1      HIS  39   6.904  -2.567   1.894
  318    HD2  HIS  39           HD2      HIS  39   5.871   0.624  -0.566
  319    HE1  HIS  39           HE1      HIS  39   6.473  -0.595   3.419
  320    H    VAL  40           HN       VAL  40   8.402   0.670  -2.620
  321    HA   VAL  40           HA       VAL  40  11.005  -0.317  -1.685
  322    HB   VAL  40           HB       VAL  40  10.557   1.753  -3.839
  323   HG11  VAL  40          HG11      VAL  40  12.954   1.494  -4.266
  324   HG12  VAL  40          HG12      VAL  40  13.072   0.370  -2.913
  325   HG13  VAL  40          HG13      VAL  40  12.645   2.056  -2.624
  326   HG21  VAL  40          HG21      VAL  40  11.322   0.049  -5.422
  327   HG22  VAL  40          HG22      VAL  40   9.840  -0.451  -4.606
  328   HG23  VAL  40          HG23      VAL  40  11.391  -1.134  -4.116
  329    H    HIS  41           HN       HIS  41  12.078   0.822  -0.243
  330    HA   HIS  41           HA       HIS  41  11.060   3.486   0.469
  331    HB2  HIS  41           HB2      HIS  41  11.675   1.136   2.157
  332    HB3  HIS  41           HB1      HIS  41  12.196   2.698   2.779
  333    HD1  HIS  41           HD1      HIS  41  10.145   1.468   4.473
  334    HD2  HIS  41           HD2      HIS  41   9.099   3.620   1.075
  335    HE1  HIS  41           HE1      HIS  41   7.825   2.383   4.886
  336    H    LYS  42           HN       LYS  42  12.589   4.955   1.352
  337    HA   LYS  42           HA       LYS  42  15.056   4.860  -0.120
  338    HB2  LYS  42           HB2      LYS  42  13.923   6.956   1.734
  339    HB3  LYS  42           HB1      LYS  42  15.372   7.158   0.760
  340    HG2  LYS  42           HG2      LYS  42  12.603   6.659  -0.313
  341    HG3  LYS  42           HG1      LYS  42  13.416   8.223  -0.252
  342    HD2  LYS  42           HD2      LYS  42  15.173   7.366  -1.722
  343    HD3  LYS  42           HD1      LYS  42  14.369   5.797  -1.771
  344    HE2  LYS  42           HE2      LYS  42  12.423   6.808  -2.820
  345    HE3  LYS  42           HE1      LYS  42  13.183   8.397  -2.730
  346    HZ1  LYS  42           HZ1      LYS  42  14.911   7.628  -4.210
  347    HZ2  LYS  42           HZ2      LYS  42  13.399   7.400  -4.926
  348    HZ3  LYS  42           HZ3      LYS  42  14.226   6.085  -4.269
  349    H    GLU  43           HN       GLU  43  14.185   3.667   2.837
  350    HA   GLU  43           HA       GLU  43  16.678   4.199   4.184
  351    HB2  GLU  43           HB2      GLU  43  14.476   2.228   4.821
  352    HB3  GLU  43           HB1      GLU  43  15.883   2.508   5.832
  353    HG2  GLU  43           HG2      GLU  43  14.181   3.747   6.825
  354    HG3  GLU  43           HG1      GLU  43  15.134   4.934   5.936
  355    H    SER  44           HN       SER  44  15.782   2.299   1.647
  356    HA   SER  44           HA       SER  44  17.827   0.269   2.219
  357    HB2  SER  44           HB2      SER  44  15.604   0.184   0.163
  358    HB3  SER  44           HB1      SER  44  16.714  -1.128   0.559
  359    HG   SER  44           HG       SER  44  14.435  -0.854   1.610
  360    H    GLU  45           HN       GLU  45  18.220   3.055   1.235
  361    HA   GLU  45           HA       GLU  45  18.999   2.799  -1.530
  362    HB2  GLU  45           HB2      GLU  45  19.367   5.009   0.491
  363    HB3  GLU  45           HB1      GLU  45  19.939   5.110  -1.166
  364    HG2  GLU  45           HG2      GLU  45  17.076   4.727  -0.332
  365    HG3  GLU  45           HG1      GLU  45  17.801   6.251  -0.841
  366    H    GLN  46           HN       GLN  46  20.315   0.839  -0.606
  367    HA   GLN  46           HA       GLN  46  23.056   1.776  -0.101
  368    HB2  GLN  46           HB2      GLN  46  21.725  -0.800   0.759
  369    HB3  GLN  46           HB1      GLN  46  23.449  -0.482   0.916
  370    HG2  GLN  46           HG2      GLN  46  22.959   1.417   2.375
  371    HG3  GLN  46           HG1      GLN  46  21.237   1.082   2.229
  372   HE21  GLN  46          HE21      GLN  46  21.037   0.799   4.438
  373   HE22  GLN  46          HE22      GLN  46  21.624  -0.614   5.245
  Start of MODEL   12
    1    H1   GLY  -2           HT1      GLY  -2 -16.121  12.092   1.916
    2    H2   GLY  -2           HT2      GLY  -2 -16.913  10.746   1.273
    3    H3   GLY  -2           HT3      GLY  -2 -17.301  11.290   2.825
    4    HA2  GLY  -2           HA1      GLY  -2 -19.009  11.948   1.270
    5    HA3  GLY  -2           HA2      GLY  -2 -18.167  13.352   1.912
    6    HA   PRO  -1           HA       PRO  -1 -18.244  14.337  -2.543
    7    HB2  PRO  -1           HB2      PRO  -1 -16.904  16.735  -1.391
    8    HB3  PRO  -1           HB1      PRO  -1 -18.239  16.638  -2.545
    9    HG2  PRO  -1           HG2      PRO  -1 -18.689  17.302  -0.010
   10    HG3  PRO  -1           HG1      PRO  -1 -19.815  16.250  -0.887
   11    HD2  PRO  -1           HD2      PRO  -1 -17.772  15.537   1.170
   12    HD3  PRO  -1           HD1      PRO  -1 -19.390  14.860   0.905
   13    H    HIS   0           HN       HIS   0 -15.485  15.396  -0.525
   14    HA   HIS   0           HA       HIS   0 -13.642  14.632  -2.645
   15    HB2  HIS   0           HB2      HIS   0 -13.206  15.933   0.048
   16    HB3  HIS   0           HB1      HIS   0 -11.890  15.480  -1.027
   17    HD1  HIS   0           HD1      HIS   0 -11.204  17.191  -2.701
   18    HD2  HIS   0           HD2      HIS   0 -14.998  17.917  -1.168
   19    HE1  HIS   0           HE1      HIS   0 -11.894  19.423  -3.632
   20    HE2  HIS   0           HE2      HIS   0 -14.231  19.798  -2.769
   21    H    MET   1           HN       MET   1 -12.284  12.916  -2.595
   22    HA   MET   1           HA       MET   1 -11.589  10.809  -2.114
   23    HB2  MET   1           HB2      MET   1 -11.946  11.780   0.727
   24    HB3  MET   1           HB1      MET   1 -11.208  10.243   0.303
   25    HG2  MET   1           HG2      MET   1 -10.192  12.945  -0.541
   26    HG3  MET   1           HG1      MET   1  -9.567  11.997   0.806
   27    HE1  MET   1           HE1      MET   1  -8.390   9.656   0.536
   28    HE2  MET   1           HE2      MET   1  -8.043   8.889  -1.013
   29    HE3  MET   1           HE3      MET   1  -9.707   9.009  -0.442
   30    H    VAL   2           HN       VAL   2 -13.959  10.652  -3.044
   31    HA   VAL   2           HA       VAL   2 -16.004   9.727  -1.315
   32    HB   VAL   2           HB       VAL   2 -16.354  10.682  -3.614
   33   HG11  VAL   2          HG11      VAL   2 -15.507   7.934  -4.513
   34   HG12  VAL   2          HG12      VAL   2 -14.646   9.441  -4.815
   35   HG13  VAL   2          HG13      VAL   2 -16.233   9.174  -5.535
   36   HG21  VAL   2          HG21      VAL   2 -18.165   9.592  -2.435
   37   HG22  VAL   2          HG22      VAL   2 -17.638   8.019  -3.034
   38   HG23  VAL   2          HG23      VAL   2 -18.257   9.229  -4.159
   39    H    SER   3           HN       SER   3 -13.253   8.227  -2.713
   40    HA   SER   3           HA       SER   3 -14.214   5.525  -2.471
   41    HB2  SER   3           HB2      SER   3 -11.364   6.498  -2.797
   42    HB3  SER   3           HB1      SER   3 -11.972   4.876  -3.125
   43    HG   SER   3           HG       SER   3 -12.501   7.277  -4.534
   44    H    SER   4           HN       SER   4 -14.901   5.559  -0.260
   45    HA   SER   4           HA       SER   4 -13.223   6.150   1.917
   46    HB2  SER   4           HB2      SER   4 -15.545   4.207   1.830
   47    HB3  SER   4           HB1      SER   4 -14.875   4.977   3.270
   48    HG   SER   4           HG       SER   4 -15.385   7.010   1.977
   49    H    ALA   5           HN       ALA   5 -13.731   3.230   0.044
   50    HA   ALA   5           HA       ALA   5 -11.554   1.956   1.553
   51    HB1  ALA   5           HB1      ALA   5 -13.618   0.629   1.510
   52    HB2  ALA   5           HB2      ALA   5 -12.311  -0.176   0.639
   53    HB3  ALA   5           HB3      ALA   5 -13.589   0.650  -0.253
   54    H    VAL   6           HN       VAL   6  -9.934   0.916   0.435
   55    HA   VAL   6           HA       VAL   6  -9.456   2.031  -2.235
   56    HB   VAL   6           HB       VAL   6  -8.393   3.311  -0.299
   57   HG11  VAL   6          HG11      VAL   6  -6.617   0.881  -0.197
   58   HG12  VAL   6          HG12      VAL   6  -7.731   1.414   1.061
   59   HG13  VAL   6          HG13      VAL   6  -6.335   2.407   0.642
   60   HG21  VAL   6          HG21      VAL   6  -6.288   3.627  -1.492
   61   HG22  VAL   6          HG22      VAL   6  -7.683   3.593  -2.571
   62   HG23  VAL   6          HG23      VAL   6  -6.628   2.186  -2.448
   63    H    LYS   7           HN       LYS   7  -7.824   0.809  -3.445
   64    HA   LYS   7           HA       LYS   7  -7.774  -2.004  -2.619
   65    HB2  LYS   7           HB2      LYS   7  -7.129  -0.815  -5.324
   66    HB3  LYS   7           HB1      LYS   7  -7.269  -2.523  -4.934
   67    HG2  LYS   7           HG2      LYS   7  -9.518  -0.537  -4.786
   68    HG3  LYS   7           HG1      LYS   7  -9.235  -1.672  -6.107
   69    HD2  LYS   7           HD2      LYS   7  -9.420  -3.532  -4.473
   70    HD3  LYS   7           HD1      LYS   7  -9.848  -2.350  -3.233
   71    HE2  LYS   7           HE2      LYS   7 -11.774  -1.658  -4.590
   72    HE3  LYS   7           HE1      LYS   7 -11.354  -2.885  -5.784
   73    HZ1  LYS   7           HZ1      LYS   7 -12.128  -3.387  -2.963
   74    HZ2  LYS   7           HZ2      LYS   7 -11.675  -4.578  -4.075
   75    HZ3  LYS   7           HZ3      LYS   7 -13.085  -3.680  -4.327
   76    H    CYS   8           HN       CYS   8  -5.831  -3.216  -2.826
   77    HA   CYS   8           HA       CYS   8  -3.580  -2.019  -1.686
   78    HB2  CYS   8           HB2      CYS   8  -4.129  -4.455  -1.674
   79    HB3  CYS   8           HB1      CYS   8  -3.665  -4.528  -3.362
   80    H    GLY   9           HN       GLY   9  -2.212  -0.604  -2.565
   81    HA2  GLY   9           HA2      GLY   9  -2.174  -0.169  -5.409
   82    HA3  GLY   9           HA1      GLY   9  -1.251   0.710  -4.202
   83    H    ILE  10           HN       ILE  10  -0.803  -2.577  -3.781
   84    HA   ILE  10           HA       ILE  10   1.777  -2.389  -5.160
   85    HB   ILE  10           HB       ILE  10   1.038  -4.192  -2.853
   86   HG12  ILE  10          HG12      ILE  10   2.384  -1.491  -2.959
   87   HG13  ILE  10          HG11      ILE  10   0.970  -1.965  -2.027
   88   HG21  ILE  10          HG21      ILE  10   2.848  -5.063  -4.237
   89   HG22  ILE  10          HG22      ILE  10   3.455  -4.543  -2.664
   90   HG23  ILE  10          HG23      ILE  10   3.711  -3.531  -4.086
   91   HD11  ILE  10          HD11      ILE  10   2.308  -3.256  -0.538
   92   HD12  ILE  10          HD12      ILE  10   3.040  -1.660  -0.694
   93   HD13  ILE  10          HD13      ILE  10   3.727  -3.038  -1.550
   94    H    CYS  11           HN       CYS  11  -1.006  -4.521  -4.609
   95    HA   CYS  11           HA       CYS  11  -0.027  -6.140  -6.864
   96    HB2  CYS  11           HB2      CYS  11  -1.051  -8.111  -5.923
   97    HB3  CYS  11           HB1      CYS  11  -0.002  -7.374  -4.719
   98    H    ARG  12           HN       ARG  12  -2.486  -4.161  -5.701
   99    HA   ARG  12           HA       ARG  12  -4.499  -3.479  -6.459
  100    HB2  ARG  12           HB2      ARG  12  -3.588  -4.709  -9.066
  101    HB3  ARG  12           HB1      ARG  12  -4.929  -3.588  -8.878
  102    HG2  ARG  12           HG2      ARG  12  -2.008  -3.021  -8.432
  103    HG3  ARG  12           HG1      ARG  12  -3.034  -2.401  -9.725
  104    HD2  ARG  12           HD2      ARG  12  -3.272  -1.792  -6.780
  105    HD3  ARG  12           HD1      ARG  12  -2.705  -0.699  -8.038
  106    HE   ARG  12           HE       ARG  12  -5.221  -1.410  -8.834
  107   HH11  ARG  12          HH11      ARG  12  -3.850   0.025  -5.961
  108   HH12  ARG  12          HH12      ARG  12  -5.265   0.941  -5.576
  109   HH21  ARG  12          HH21      ARG  12  -7.104  -0.208  -8.335
  110   HH22  ARG  12          HH22      ARG  12  -7.126   0.806  -6.923
  111    H    GLY  13           HN       GLY  13  -4.197  -6.211  -5.343
  112    HA2  GLY  13           HA2      GLY  13  -6.115  -7.814  -6.812
  113    HA3  GLY  13           HA1      GLY  13  -5.272  -8.279  -5.342
  114    H    VAL  14           HN       VAL  14  -5.979  -7.102  -3.341
  115    HA   VAL  14           HA       VAL  14  -8.899  -6.758  -3.422
  116    HB   VAL  14           HB       VAL  14  -9.010  -7.601  -1.142
  117   HG11  VAL  14          HG11      VAL  14  -8.348  -9.929  -1.538
  118   HG12  VAL  14          HG12      VAL  14  -7.424  -9.413  -2.947
  119   HG13  VAL  14          HG13      VAL  14  -9.179  -9.230  -2.927
  120   HG21  VAL  14          HG21      VAL  14  -6.024  -7.953  -1.360
  121   HG22  VAL  14          HG22      VAL  14  -7.030  -8.574  -0.051
  122   HG23  VAL  14          HG23      VAL  14  -6.876  -6.834  -0.295
  123    H    ASP  15           HN       ASP  15  -9.340  -5.747  -0.934
  124    HA   ASP  15           HA       ASP  15  -8.777  -3.030  -1.259
  125    HB2  ASP  15           HB2      ASP  15  -9.795  -2.722   0.923
  126    HB3  ASP  15           HB1      ASP  15 -10.713  -3.912   0.010
  127    H    GLY  16           HN       GLY  16  -7.384  -1.644  -0.270
  128    HA2  GLY  16           HA2      GLY  16  -4.998  -2.827   0.940
  129    HA3  GLY  16           HA1      GLY  16  -5.165  -1.170   0.369
  130    H    LYS  17           HN       LYS  17  -6.314  -3.401   2.851
  131    HA   LYS  17           HA       LYS  17  -7.471  -1.420   4.502
  132    HB2  LYS  17           HB2      LYS  17  -7.227  -3.272   6.278
  133    HB3  LYS  17           HB1      LYS  17  -8.279  -3.542   4.895
  134    HG2  LYS  17           HG2      LYS  17  -6.732  -4.971   3.862
  135    HG3  LYS  17           HG1      LYS  17  -5.432  -4.476   4.945
  136    HD2  LYS  17           HD2      LYS  17  -6.279  -6.673   5.552
  137    HD3  LYS  17           HD1      LYS  17  -6.611  -5.492   6.820
  138    HE2  LYS  17           HE2      LYS  17  -8.527  -6.984   6.387
  139    HE3  LYS  17           HE1      LYS  17  -8.898  -5.288   6.093
  140    HZ1  LYS  17           HZ1      LYS  17  -8.160  -7.213   3.964
  141    HZ2  LYS  17           HZ2      LYS  17  -8.724  -5.628   3.748
  142    HZ3  LYS  17           HZ3      LYS  17  -9.750  -6.818   4.372
  143    H    TYR  18           HN       TYR  18  -4.227  -2.682   4.278
  144    HA   TYR  18           HA       TYR  18  -3.435  -1.237   6.690
  145    HB2  TYR  18           HB2      TYR  18  -2.192  -3.388   5.027
  146    HB3  TYR  18           HB1      TYR  18  -1.153  -2.354   5.993
  147    HD1  TYR  18           HD1      TYR  18  -4.280  -4.355   6.397
  148    HD2  TYR  18           HD2      TYR  18  -0.600  -3.080   8.093
  149    HE1  TYR  18           HE1      TYR  18  -4.695  -5.789   8.348
  150    HE2  TYR  18           HE2      TYR  18  -1.002  -4.504  10.054
  151    HH   TYR  18           HH       TYR  18  -2.908  -5.543  11.221
  152    H    LYS  19           HN       LYS  19  -1.737   0.318   6.642
  153    HA   LYS  19           HA       LYS  19  -1.163   1.452   3.995
  154    HB2  LYS  19           HB2      LYS  19  -3.109   2.596   5.173
  155    HB3  LYS  19           HB1      LYS  19  -1.964   3.118   6.390
  156    HG2  LYS  19           HG2      LYS  19  -1.521   3.780   3.513
  157    HG3  LYS  19           HG1      LYS  19  -2.654   4.714   4.482
  158    HD2  LYS  19           HD2      LYS  19  -0.758   5.009   6.143
  159    HD3  LYS  19           HD1      LYS  19   0.298   4.367   4.880
  160    HE2  LYS  19           HE2      LYS  19   0.382   6.734   4.726
  161    HE3  LYS  19           HE1      LYS  19  -0.575   6.146   3.368
  162    HZ1  LYS  19           HZ1      LYS  19  -1.718   7.226   5.885
  163    HZ2  LYS  19           HZ2      LYS  19  -2.577   6.770   4.505
  164    HZ3  LYS  19           HZ3      LYS  19  -1.544   8.108   4.452
  165    H    CYS  20           HN       CYS  20   0.801   2.580   3.842
  166    HA   CYS  20           HA       CYS  20   2.687   1.979   6.010
  167    HB2  CYS  20           HB2      CYS  20   3.258   1.167   3.743
  168    HB3  CYS  20           HB1      CYS  20   3.260   2.824   3.162
  169    HA   PRO  21           HA       PRO  21   2.279   6.370   6.964
  170    HB2  PRO  21           HB2      PRO  21   3.807   6.259   9.218
  171    HB3  PRO  21           HB1      PRO  21   2.106   5.785   9.173
  172    HG2  PRO  21           HG2      PRO  21   4.552   4.065   9.053
  173    HG3  PRO  21           HG1      PRO  21   3.053   3.816   9.968
  174    HD2  PRO  21           HD2      PRO  21   3.548   2.535   7.647
  175    HD3  PRO  21           HD1      PRO  21   1.910   3.025   8.120
  176    H    LYS  22           HN       LYS  22   4.950   4.584   5.961
  177    HA   LYS  22           HA       LYS  22   6.866   6.737   6.305
  178    HB2  LYS  22           HB2      LYS  22   7.224   4.094   4.890
  179    HB3  LYS  22           HB1      LYS  22   8.496   5.211   5.357
  180    HG2  LYS  22           HG2      LYS  22   6.705   3.677   7.228
  181    HG3  LYS  22           HG1      LYS  22   8.395   3.319   6.872
  182    HD2  LYS  22           HD2      LYS  22   7.381   5.856   8.157
  183    HD3  LYS  22           HD1      LYS  22   8.108   4.501   9.016
  184    HE2  LYS  22           HE2      LYS  22   9.472   6.152   6.890
  185    HE3  LYS  22           HE1      LYS  22   9.699   6.339   8.627
  186    HZ1  LYS  22           HZ1      LYS  22  10.335   3.887   7.076
  187    HZ2  LYS  22           HZ2      LYS  22  10.588   4.110   8.731
  188    HZ3  LYS  22           HZ3      LYS  22  11.461   5.027   7.612
  189    H    CYS  23           HN       CYS  23   5.661   4.849   3.500
  190    HA   CYS  23           HA       CYS  23   6.530   7.059   1.794
  191    HB2  CYS  23           HB2      CYS  23   6.172   5.491  -0.099
  192    HB3  CYS  23           HB1      CYS  23   7.342   4.907   1.073
  193    H    GLY  24           HN       GLY  24   3.670   5.404   2.869
  194    HA2  GLY  24           HA2      GLY  24   1.584   6.539   2.954
  195    HA3  GLY  24           HA1      GLY  24   2.070   7.477   1.548
  196    H    VAL  25           HN       VAL  25   2.675   4.094   1.564
  197    HA   VAL  25           HA       VAL  25   0.869   3.800  -0.686
  198    HB   VAL  25           HB       VAL  25   3.294   2.927  -0.592
  199   HG11  VAL  25          HG11      VAL  25   3.500   0.597   0.224
  200   HG12  VAL  25          HG12      VAL  25   1.912   0.756   0.977
  201   HG13  VAL  25          HG13      VAL  25   3.250   1.776   1.507
  202   HG21  VAL  25          HG21      VAL  25   2.751   1.024  -2.032
  203   HG22  VAL  25          HG22      VAL  25   1.778   2.443  -2.419
  204   HG23  VAL  25          HG23      VAL  25   1.071   1.112  -1.504
  205    H    ARG  26           HN       ARG  26  -0.551   1.988  -0.847
  206    HA   ARG  26           HA       ARG  26  -1.625   1.077   1.733
  207    HB2  ARG  26           HB2      ARG  26  -2.955   1.740  -0.882
  208    HB3  ARG  26           HB1      ARG  26  -3.727   0.658   0.266
  209    HG2  ARG  26           HG2      ARG  26  -2.814   3.417   1.008
  210    HG3  ARG  26           HG1      ARG  26  -4.418   3.080   0.353
  211    HD2  ARG  26           HD2      ARG  26  -4.796   1.483   2.197
  212    HD3  ARG  26           HD1      ARG  26  -3.224   1.918   2.867
  213    HE   ARG  26           HE       ARG  26  -4.417   4.301   2.727
  214   HH11  ARG  26          HH11      ARG  26  -5.609   1.228   3.908
  215   HH12  ARG  26          HH12      ARG  26  -6.603   1.943   5.139
  216   HH21  ARG  26          HH21      ARG  26  -5.716   5.246   4.361
  217   HH22  ARG  26          HH22      ARG  26  -6.675   4.224   5.385
  218    H    TYR  27           HN       TYR  27  -1.546  -1.050   2.110
  219    HA   TYR  27           HA       TYR  27  -1.368  -2.848  -0.203
  220    HB2  TYR  27           HB2      TYR  27  -0.061  -4.301   1.688
  221    HB3  TYR  27           HB1      TYR  27   0.726  -3.350   0.444
  222    HD1  TYR  27           HD1      TYR  27  -0.803  -2.706   3.778
  223    HD2  TYR  27           HD2      TYR  27   2.516  -2.122   1.199
  224    HE1  TYR  27           HE1      TYR  27   0.319  -1.358   5.515
  225    HE2  TYR  27           HE2      TYR  27   3.650  -0.808   2.935
  226    HH   TYR  27           HH       TYR  27   2.516  -0.702   6.165
  227    H    CYS  28           HN       CYS  28  -2.167  -4.898   0.084
  228    HA   CYS  28           HA       CYS  28  -4.610  -4.964   1.490
  229    HB2  CYS  28           HB2      CYS  28  -4.792  -7.249   0.559
  230    HB3  CYS  28           HB1      CYS  28  -4.366  -6.060  -0.660
  231    H    SER  29           HN       SER  29  -1.401  -6.213   2.135
  232    HA   SER  29           HA       SER  29  -1.997  -6.903   4.810
  233    HB2  SER  29           HB2      SER  29  -1.660  -9.223   2.881
  234    HB3  SER  29           HB1      SER  29  -1.648  -9.368   4.633
  235    HG   SER  29           HG       SER  29  -3.857  -8.052   3.860
  236    H    LEU  30           HN       LEU  30  -0.085  -8.665   5.481
  237    HA   LEU  30           HA       LEU  30   2.291  -7.197   5.344
  238    HB2  LEU  30           HB2      LEU  30   1.616  -9.956   6.246
  239    HB3  LEU  30           HB1      LEU  30   3.295  -9.459   6.157
  240    HG   LEU  30           HG       LEU  30   1.155  -8.111   7.812
  241   HD11  LEU  30          HD11      LEU  30   3.449  -9.896   8.598
  242   HD12  LEU  30          HD12      LEU  30   1.733 -10.292   8.694
  243   HD13  LEU  30          HD13      LEU  30   2.405  -9.022   9.717
  244   HD21  LEU  30          HD21      LEU  30   2.845  -6.527   7.078
  245   HD22  LEU  30          HD22      LEU  30   4.124  -7.613   7.617
  246   HD23  LEU  30          HD23      LEU  30   3.042  -6.873   8.795
  247    H    LYS  31           HN       LYS  31   1.041  -9.577   3.199
  248    HA   LYS  31           HA       LYS  31   3.340 -10.631   2.056
  249    HB2  LYS  31           HB2      LYS  31   0.705  -9.963   0.727
  250    HB3  LYS  31           HB1      LYS  31   1.956 -10.971   0.013
  251    HG2  LYS  31           HG2      LYS  31   0.605 -12.578   0.890
  252    HG3  LYS  31           HG1      LYS  31   1.702 -12.289   2.239
  253    HD2  LYS  31           HD2      LYS  31   0.090 -10.861   3.317
  254    HD3  LYS  31           HD1      LYS  31  -1.002 -11.007   1.938
  255    HE2  LYS  31           HE2      LYS  31  -0.074 -13.346   3.585
  256    HE3  LYS  31           HE1      LYS  31  -1.550 -12.447   3.929
  257    HZ1  LYS  31           HZ1      LYS  31  -2.371 -13.026   1.733
  258    HZ2  LYS  31           HZ2      LYS  31  -1.998 -14.423   2.611
  259    HZ3  LYS  31           HZ3      LYS  31  -0.951 -13.883   1.398
  260    H    CYS  32           HN       CYS  32   1.450  -7.858   1.070
  261    HA   CYS  32           HA       CYS  32   3.491  -6.943  -0.762
  262    HB2  CYS  32           HB2      CYS  32   0.839  -5.739   0.045
  263    HB3  CYS  32           HB1      CYS  32   1.898  -5.081  -1.198
  264    H    TYR  33           HN       TYR  33   2.503  -6.314   2.494
  265    HA   TYR  33           HA       TYR  33   3.590  -3.764   2.888
  266    HB2  TYR  33           HB2      TYR  33   2.145  -5.127   4.499
  267    HB3  TYR  33           HB1      TYR  33   3.614  -5.986   4.943
  268    HD1  TYR  33           HD1      TYR  33   5.084  -3.061   4.481
  269    HD2  TYR  33           HD2      TYR  33   2.035  -4.652   6.982
  270    HE1  TYR  33           HE1      TYR  33   5.566  -1.331   6.165
  271    HE2  TYR  33           HE2      TYR  33   2.516  -2.937   8.675
  272    HH   TYR  33           HH       TYR  33   4.381  -1.491   9.348
  273    H    LYS  34           HN       LYS  34   5.041  -6.930   3.653
  274    HA   LYS  34           HA       LYS  34   7.637  -5.681   4.005
  275    HB2  LYS  34           HB2      LYS  34   6.788  -8.566   4.298
  276    HB3  LYS  34           HB1      LYS  34   8.347  -7.902   4.767
  277    HG2  LYS  34           HG2      LYS  34   7.276  -6.503   6.432
  278    HG3  LYS  34           HG1      LYS  34   5.692  -7.096   5.936
  279    HD2  LYS  34           HD2      LYS  34   6.472  -8.226   7.961
  280    HD3  LYS  34           HD1      LYS  34   6.312  -9.356   6.616
  281    HE2  LYS  34           HE2      LYS  34   8.736  -9.182   6.218
  282    HE3  LYS  34           HE1      LYS  34   8.871  -8.107   7.604
  283    HZ1  LYS  34           HZ1      LYS  34   8.094  -9.882   9.028
  284    HZ2  LYS  34           HZ2      LYS  34   9.455 -10.387   8.162
  285    HZ3  LYS  34           HZ3      LYS  34   7.918 -10.913   7.701
  286    H    ASP  35           HN       ASP  35   6.813  -5.439   1.415
  287    HA   ASP  35           HA       ASP  35   8.399  -7.429  -0.050
  288    HB2  ASP  35           HB2      ASP  35   6.061  -7.356  -0.754
  289    HB3  ASP  35           HB1      ASP  35   6.162  -5.617  -0.991
  290    H    ALA  36           HN       ALA  36  10.082  -6.729  -1.302
  291    HA   ALA  36           HA       ALA  36  10.564  -3.823  -1.376
  292    HB1  ALA  36           HB1      ALA  36  12.953  -4.245  -1.194
  293    HB2  ALA  36           HB2      ALA  36  12.656  -5.981  -1.114
  294    HB3  ALA  36           HB3      ALA  36  12.096  -4.930   0.188
  295    H    ALA  37           HN       ALA  37   9.303  -5.727  -3.297
  296    HA   ALA  37           HA       ALA  37  11.157  -5.378  -5.565
  297    HB1  ALA  37           HB1      ALA  37   8.805  -7.253  -5.291
  298    HB2  ALA  37           HB2      ALA  37  10.505  -7.702  -5.160
  299    HB3  ALA  37           HB3      ALA  37   9.863  -7.124  -6.697
  300    H    LYS  38           HN       LYS  38   7.795  -5.144  -4.548
  301    HA   LYS  38           HA       LYS  38   7.221  -3.270  -6.739
  302    HB2  LYS  38           HB2      LYS  38   5.320  -4.588  -4.799
  303    HB3  LYS  38           HB1      LYS  38   4.880  -3.646  -6.216
  304    HG2  LYS  38           HG2      LYS  38   5.713  -5.326  -7.682
  305    HG3  LYS  38           HG1      LYS  38   6.432  -6.218  -6.339
  306    HD2  LYS  38           HD2      LYS  38   4.165  -6.528  -5.401
  307    HD3  LYS  38           HD1      LYS  38   3.495  -5.762  -6.840
  308    HE2  LYS  38           HE2      LYS  38   4.399  -7.509  -8.238
  309    HE3  LYS  38           HE1      LYS  38   5.208  -8.240  -6.856
  310    HZ1  LYS  38           HZ1      LYS  38   2.271  -8.008  -7.233
  311    HZ2  LYS  38           HZ2      LYS  38   3.029  -8.670  -5.875
  312    HZ3  LYS  38           HZ3      LYS  38   3.188  -9.422  -7.380
  313    H    HIS  39           HN       HIS  39   6.990  -3.716  -3.238
  314    HA   HIS  39           HA       HIS  39   6.299  -0.958  -2.738
  315    HB2  HIS  39           HB2      HIS  39   5.507  -2.772  -1.260
  316    HB3  HIS  39           HB1      HIS  39   7.165  -3.169  -0.851
  317    HD1  HIS  39           HD1      HIS  39   6.631  -2.716   1.676
  318    HD2  HIS  39           HD2      HIS  39   6.180   0.583  -0.821
  319    HE1  HIS  39           HE1      HIS  39   6.462  -0.703   3.179
  320    H    VAL  40           HN       VAL  40   7.788   0.577  -2.988
  321    HA   VAL  40           HA       VAL  40  10.587  -0.109  -2.419
  322    HB   VAL  40           HB       VAL  40   9.639   1.974  -4.382
  323   HG11  VAL  40          HG11      VAL  40  11.943   1.962  -5.168
  324   HG12  VAL  40          HG12      VAL  40  12.362   0.748  -3.959
  325   HG13  VAL  40          HG13      VAL  40  11.871   2.364  -3.452
  326   HG21  VAL  40          HG21      VAL  40  10.245   0.409  -6.151
  327   HG22  VAL  40          HG22      VAL  40   8.976  -0.264  -5.128
  328   HG23  VAL  40          HG23      VAL  40  10.641  -0.816  -4.946
  329    H    HIS  41           HN       HIS  41  11.776   1.139  -1.162
  330    HA   HIS  41           HA       HIS  41  10.503   3.541  -0.088
  331    HB2  HIS  41           HB2      HIS  41  11.752   1.273   1.290
  332    HB3  HIS  41           HB1      HIS  41  12.230   2.860   1.893
  333    HD1  HIS  41           HD1      HIS  41  10.610   1.293   3.848
  334    HD2  HIS  41           HD2      HIS  41   8.890   3.621   0.885
  335    HE1  HIS  41           HE1      HIS  41   8.377   2.066   4.758
  336    H    LYS  42           HN       LYS  42  12.586   4.499   1.413
  337    HA   LYS  42           HA       LYS  42  13.770   6.115  -0.564
  338    HB2  LYS  42           HB2      LYS  42  14.473   5.878   2.363
  339    HB3  LYS  42           HB1      LYS  42  14.869   7.227   1.307
  340    HG2  LYS  42           HG2      LYS  42  12.523   7.760   1.052
  341    HG3  LYS  42           HG1      LYS  42  12.074   6.353   2.015
  342    HD2  LYS  42           HD2      LYS  42  11.937   8.271   3.428
  343    HD3  LYS  42           HD1      LYS  42  13.359   7.350   3.917
  344    HE2  LYS  42           HE2      LYS  42  13.904   9.693   3.875
  345    HE3  LYS  42           HE1      LYS  42  14.762   8.873   2.573
  346    HZ1  LYS  42           HZ1      LYS  42  13.155   9.691   1.005
  347    HZ2  LYS  42           HZ2      LYS  42  13.773  10.995   1.887
  348    HZ3  LYS  42           HZ3      LYS  42  12.233  10.393   2.236
  349    H    GLU  43           HN       GLU  43  15.752   6.162  -1.437
  350    HA   GLU  43           HA       GLU  43  17.909   4.540  -0.402
  351    HB2  GLU  43           HB2      GLU  43  16.648   2.959  -1.828
  352    HB3  GLU  43           HB1      GLU  43  16.822   4.062  -3.185
  353    HG2  GLU  43           HG2      GLU  43  19.267   3.809  -3.034
  354    HG3  GLU  43           HG1      GLU  43  19.040   2.633  -1.741
  355    H    SER  44           HN       SER  44  16.680   6.677  -2.931
  356    HA   SER  44           HA       SER  44  19.342   7.900  -3.106
  357    HB2  SER  44           HB2      SER  44  17.513   7.331  -5.446
  358    HB3  SER  44           HB1      SER  44  19.095   8.105  -5.522
  359    HG   SER  44           HG       SER  44  19.696   5.983  -4.334
  360    H    GLU  45           HN       GLU  45  18.171   9.318  -1.508
  361    HA   GLU  45           HA       GLU  45  16.504  11.317  -2.860
  362    HB2  GLU  45           HB2      GLU  45  16.156  12.272  -0.601
  363    HB3  GLU  45           HB1      GLU  45  15.640  10.599  -0.714
  364    HG2  GLU  45           HG2      GLU  45  18.333  11.357   0.367
  365    HG3  GLU  45           HG1      GLU  45  16.892  11.316   1.380
  366    H    GLN  46           HN       GLN  46  19.493  10.808  -3.081
  367    HA   GLN  46           HA       GLN  46  20.649  13.248  -2.064
  368    HB2  GLN  46           HB2      GLN  46  21.965  11.163  -2.151
  369    HB3  GLN  46           HB1      GLN  46  21.817  11.147  -3.900
  370    HG2  GLN  46           HG2      GLN  46  23.983  11.976  -3.271
  371    HG3  GLN  46           HG1      GLN  46  23.042  13.270  -4.008
  372   HE21  GLN  46          HE21      GLN  46  24.429  12.051  -1.072
  373   HE22  GLN  46          HE22      GLN  46  24.260  13.506  -0.153
  Start of MODEL   13
    1    H1   GLY  -2           HT1      GLY  -2 -12.287  17.876  -3.029
    2    H2   GLY  -2           HT2      GLY  -2 -11.851  17.917  -1.396
    3    H3   GLY  -2           HT3      GLY  -2 -12.915  19.074  -2.015
    4    HA2  GLY  -2           HA1      GLY  -2 -14.105  17.420  -0.736
    5    HA3  GLY  -2           HA2      GLY  -2 -14.581  17.401  -2.427
    6    HA   PRO  -1           HA       PRO  -1 -13.757  13.033  -1.481
    7    HB2  PRO  -1           HB2      PRO  -1 -15.301  12.032  -3.479
    8    HB3  PRO  -1           HB1      PRO  -1 -15.960  12.562  -1.927
    9    HG2  PRO  -1           HG2      PRO  -1 -15.899  13.995  -4.549
   10    HG3  PRO  -1           HG1      PRO  -1 -17.204  13.904  -3.352
   11    HD2  PRO  -1           HD2      PRO  -1 -15.548  16.048  -3.588
   12    HD3  PRO  -1           HD1      PRO  -1 -16.290  15.564  -2.052
   13    H    HIS   0           HN       HIS   0 -11.690  12.633  -2.073
   14    HA   HIS   0           HA       HIS   0 -10.725  12.959  -4.747
   15    HB2  HIS   0           HB2      HIS   0  -9.236  13.073  -2.768
   16    HB3  HIS   0           HB1      HIS   0  -9.539  11.369  -2.455
   17    HD1  HIS   0           HD1      HIS   0  -7.740   9.903  -3.282
   18    HD2  HIS   0           HD2      HIS   0  -8.062  13.370  -5.552
   19    HE1  HIS   0           HE1      HIS   0  -5.913   9.756  -5.003
   20    HE2  HIS   0           HE2      HIS   0  -6.011  11.950  -6.236
   21    H    MET   1           HN       MET   1 -12.047  10.357  -2.844
   22    HA   MET   1           HA       MET   1 -12.250   8.724  -5.288
   23    HB2  MET   1           HB2      MET   1 -12.006   7.765  -2.428
   24    HB3  MET   1           HB1      MET   1 -12.277   6.731  -3.821
   25    HG2  MET   1           HG2      MET   1 -10.104   7.445  -4.735
   26    HG3  MET   1           HG1      MET   1  -9.834   8.396  -3.277
   27    HE1  MET   1           HE1      MET   1  -9.919   7.236  -0.808
   28    HE2  MET   1           HE2      MET   1  -9.887   5.491  -0.559
   29    HE3  MET   1           HE3      MET   1 -11.335   6.262  -1.207
   30    H    VAL   2           HN       VAL   2 -14.254   7.800  -5.683
   31    HA   VAL   2           HA       VAL   2 -16.485   9.031  -4.306
   32    HB   VAL   2           HB       VAL   2 -16.417   8.715  -6.803
   33   HG11  VAL   2          HG11      VAL   2 -15.477   6.507  -6.949
   34   HG12  VAL   2          HG12      VAL   2 -17.074   6.505  -7.694
   35   HG13  VAL   2          HG13      VAL   2 -16.852   5.822  -6.083
   36   HG21  VAL   2          HG21      VAL   2 -18.755   7.482  -5.357
   37   HG22  VAL   2          HG22      VAL   2 -18.777   8.094  -7.011
   38   HG23  VAL   2          HG23      VAL   2 -18.503   9.200  -5.665
   39    H    SER   3           HN       SER   3 -14.608   6.300  -3.951
   40    HA   SER   3           HA       SER   3 -16.738   4.736  -2.680
   41    HB2  SER   3           HB2      SER   3 -13.912   3.874  -3.340
   42    HB3  SER   3           HB1      SER   3 -15.265   2.839  -2.885
   43    HG   SER   3           HG       SER   3 -16.196   3.164  -4.830
   44    H    SER   4           HN       SER   4 -16.365   3.816  -0.590
   45    HA   SER   4           HA       SER   4 -14.664   5.486   1.110
   46    HB2  SER   4           HB2      SER   4 -16.844   3.516   1.852
   47    HB3  SER   4           HB1      SER   4 -15.989   4.574   2.972
   48    HG   SER   4           HG       SER   4 -17.361   5.626   0.736
   49    H    ALA   5           HN       ALA   5 -13.372   3.623  -0.531
   50    HA   ALA   5           HA       ALA   5 -11.872   2.133   1.386
   51    HB1  ALA   5           HB1      ALA   5 -12.273  -0.092   0.475
   52    HB2  ALA   5           HB2      ALA   5 -13.465   0.567  -0.645
   53    HB3  ALA   5           HB3      ALA   5 -13.775   0.598   1.091
   54    H    VAL   6           HN       VAL   6 -10.113   0.943   0.381
   55    HA   VAL   6           HA       VAL   6  -9.291   2.203  -2.138
   56    HB   VAL   6           HB       VAL   6  -8.485   3.421  -0.056
   57   HG11  VAL   6          HG11      VAL   6  -6.599   2.495   1.155
   58   HG12  VAL   6          HG12      VAL   6  -6.706   1.005   0.218
   59   HG13  VAL   6          HG13      VAL   6  -8.012   1.453   1.314
   60   HG21  VAL   6          HG21      VAL   6  -6.443   2.343  -1.975
   61   HG22  VAL   6          HG22      VAL   6  -6.240   3.762  -0.949
   62   HG23  VAL   6          HG23      VAL   6  -7.475   3.754  -2.206
   63    H    LYS   7           HN       LYS   7  -7.585   1.021  -3.246
   64    HA   LYS   7           HA       LYS   7  -7.657  -1.829  -2.535
   65    HB2  LYS   7           HB2      LYS   7  -6.951  -0.583  -5.195
   66    HB3  LYS   7           HB1      LYS   7  -7.185  -2.292  -4.868
   67    HG2  LYS   7           HG2      LYS   7  -9.303  -0.156  -4.714
   68    HG3  LYS   7           HG1      LYS   7  -9.106  -1.337  -6.007
   69    HD2  LYS   7           HD2      LYS   7  -9.554  -2.108  -3.138
   70    HD3  LYS   7           HD1      LYS   7 -10.873  -1.861  -4.278
   71    HE2  LYS   7           HE2      LYS   7  -8.612  -3.805  -4.707
   72    HE3  LYS   7           HE1      LYS   7 -10.162  -4.242  -3.995
   73    HZ1  LYS   7           HZ1      LYS   7  -9.754  -3.136  -6.721
   74    HZ2  LYS   7           HZ2      LYS   7 -11.251  -3.533  -6.036
   75    HZ3  LYS   7           HZ3      LYS   7 -10.116  -4.745  -6.342
   76    H    CYS   8           HN       CYS   8  -5.735  -3.108  -2.866
   77    HA   CYS   8           HA       CYS   8  -3.425  -1.986  -1.705
   78    HB2  CYS   8           HB2      CYS   8  -4.068  -4.411  -1.690
   79    HB3  CYS   8           HB1      CYS   8  -3.598  -4.500  -3.375
   80    H    GLY   9           HN       GLY   9  -2.021  -0.635  -2.618
   81    HA2  GLY   9           HA2      GLY   9  -1.991  -0.263  -5.478
   82    HA3  GLY   9           HA1      GLY   9  -1.059   0.642  -4.296
   83    H    ILE  10           HN       ILE  10  -0.644  -2.632  -3.757
   84    HA   ILE  10           HA       ILE  10   1.941  -2.506  -5.132
   85    HB   ILE  10           HB       ILE  10   1.151  -4.304  -2.839
   86   HG12  ILE  10          HG12      ILE  10   2.556  -1.634  -2.922
   87   HG13  ILE  10          HG11      ILE  10   1.108  -2.066  -2.026
   88   HG21  ILE  10          HG21      ILE  10   3.841  -3.692  -4.063
   89   HG22  ILE  10          HG22      ILE  10   2.955  -5.210  -4.203
   90   HG23  ILE  10          HG23      ILE  10   3.569  -4.687  -2.634
   91   HD11  ILE  10          HD11      ILE  10   3.092  -1.814  -0.610
   92   HD12  ILE  10          HD12      ILE  10   3.847  -3.154  -1.472
   93   HD13  ILE  10          HD13      ILE  10   2.387  -3.427  -0.527
   94    H    CYS  11           HN       CYS  11  -0.856  -4.621  -4.576
   95    HA   CYS  11           HA       CYS  11   0.111  -6.252  -6.829
   96    HB2  CYS  11           HB2      CYS  11  -0.958  -8.194  -5.883
   97    HB3  CYS  11           HB1      CYS  11   0.072  -7.459  -4.659
   98    H    ARG  12           HN       ARG  12  -2.292  -4.197  -5.703
   99    HA   ARG  12           HA       ARG  12  -4.270  -3.459  -6.482
  100    HB2  ARG  12           HB2      ARG  12  -3.154  -4.594  -9.045
  101    HB3  ARG  12           HB1      ARG  12  -4.640  -3.657  -8.971
  102    HG2  ARG  12           HG2      ARG  12  -1.912  -2.685  -8.137
  103    HG3  ARG  12           HG1      ARG  12  -2.735  -2.290  -9.647
  104    HD2  ARG  12           HD2      ARG  12  -4.538  -1.222  -8.392
  105    HD3  ARG  12           HD1      ARG  12  -3.736  -1.634  -6.879
  106    HE   ARG  12           HE       ARG  12  -2.029  -0.123  -8.582
  107   HH11  ARG  12          HH11      ARG  12  -4.723   0.164  -6.368
  108   HH12  ARG  12          HH12      ARG  12  -4.379   1.812  -5.956
  109   HH21  ARG  12          HH21      ARG  12  -1.570   2.048  -8.042
  110   HH22  ARG  12          HH22      ARG  12  -2.588   2.881  -6.908
  111    H    GLY  13           HN       GLY  13  -4.143  -6.143  -5.345
  112    HA2  GLY  13           HA2      GLY  13  -6.114  -7.659  -6.843
  113    HA3  GLY  13           HA1      GLY  13  -5.332  -8.150  -5.349
  114    H    VAL  14           HN       VAL  14  -6.028  -7.004  -3.366
  115    HA   VAL  14           HA       VAL  14  -8.922  -6.505  -3.513
  116    HB   VAL  14           HB       VAL  14  -9.147  -7.423  -1.279
  117   HG11  VAL  14          HG11      VAL  14  -7.549  -9.238  -3.076
  118   HG12  VAL  14          HG12      VAL  14  -9.296  -8.989  -3.124
  119   HG13  VAL  14          HG13      VAL  14  -8.551  -9.762  -1.724
  120   HG21  VAL  14          HG21      VAL  14  -6.172  -7.909  -1.382
  121   HG22  VAL  14          HG22      VAL  14  -7.263  -8.460  -0.111
  122   HG23  VAL  14          HG23      VAL  14  -6.997  -6.735  -0.358
  123    H    ASP  15           HN       ASP  15  -9.378  -5.558  -0.991
  124    HA   ASP  15           HA       ASP  15  -8.645  -2.853  -1.244
  125    HB2  ASP  15           HB2      ASP  15  -9.746  -2.526   0.919
  126    HB3  ASP  15           HB1      ASP  15 -10.722  -3.531  -0.144
  127    H    GLY  16           HN       GLY  16  -7.217  -1.590  -0.185
  128    HA2  GLY  16           HA2      GLY  16  -4.976  -2.927   1.110
  129    HA3  GLY  16           HA1      GLY  16  -5.055  -1.234   0.638
  130    H    LYS  17           HN       LYS  17  -6.294  -3.583   2.958
  131    HA   LYS  17           HA       LYS  17  -7.533  -1.720   4.658
  132    HB2  LYS  17           HB2      LYS  17  -7.300  -3.588   6.389
  133    HB3  LYS  17           HB1      LYS  17  -8.252  -3.904   4.947
  134    HG2  LYS  17           HG2      LYS  17  -6.647  -5.304   4.037
  135    HG3  LYS  17           HG1      LYS  17  -5.365  -4.665   5.066
  136    HD2  LYS  17           HD2      LYS  17  -6.032  -6.883   5.812
  137    HD3  LYS  17           HD1      LYS  17  -6.451  -5.669   7.019
  138    HE2  LYS  17           HE2      LYS  17  -8.755  -5.669   6.243
  139    HE3  LYS  17           HE1      LYS  17  -8.350  -6.858   5.005
  140    HZ1  LYS  17           HZ1      LYS  17  -7.800  -8.433   6.735
  141    HZ2  LYS  17           HZ2      LYS  17  -9.378  -7.873   6.949
  142    HZ3  LYS  17           HZ3      LYS  17  -8.135  -7.290   7.934
  143    H    TYR  18           HN       TYR  18  -4.202  -2.705   4.408
  144    HA   TYR  18           HA       TYR  18  -3.603  -1.208   6.865
  145    HB2  TYR  18           HB2      TYR  18  -2.166  -3.399   5.415
  146    HB3  TYR  18           HB1      TYR  18  -1.260  -2.295   6.447
  147    HD1  TYR  18           HD1      TYR  18  -4.274  -4.469   6.518
  148    HD2  TYR  18           HD2      TYR  18  -1.042  -2.799   8.697
  149    HE1  TYR  18           HE1      TYR  18  -4.925  -5.796   8.469
  150    HE2  TYR  18           HE2      TYR  18  -1.676  -4.129  10.669
  151    HH   TYR  18           HH       TYR  18  -3.856  -6.704  10.516
  152    H    LYS  19           HN       LYS  19  -1.627   0.169   6.804
  153    HA   LYS  19           HA       LYS  19  -1.232   1.388   4.159
  154    HB2  LYS  19           HB2      LYS  19  -3.055   2.524   5.556
  155    HB3  LYS  19           HB1      LYS  19  -1.769   3.039   6.629
  156    HG2  LYS  19           HG2      LYS  19  -1.637   3.660   3.714
  157    HG3  LYS  19           HG1      LYS  19  -2.650   4.616   4.784
  158    HD2  LYS  19           HD2      LYS  19  -0.582   4.918   6.226
  159    HD3  LYS  19           HD1      LYS  19   0.326   4.258   4.860
  160    HE2  LYS  19           HE2      LYS  19   0.387   6.624   4.665
  161    HE3  LYS  19           HE1      LYS  19  -0.716   6.016   3.432
  162    HZ1  LYS  19           HZ1      LYS  19  -1.626   7.954   4.526
  163    HZ2  LYS  19           HZ2      LYS  19  -1.506   7.206   6.035
  164    HZ3  LYS  19           HZ3      LYS  19  -2.577   6.598   4.873
  165    H    CYS  20           HN       CYS  20   0.729   2.421   3.862
  166    HA   CYS  20           HA       CYS  20   2.787   1.793   5.865
  167    HB2  CYS  20           HB2      CYS  20   3.036   0.974   3.497
  168    HB3  CYS  20           HB1      CYS  20   3.147   2.645   2.986
  169    HA   PRO  21           HA       PRO  21   2.286   6.214   6.720
  170    HB2  PRO  21           HB2      PRO  21   3.840   6.223   8.959
  171    HB3  PRO  21           HB1      PRO  21   2.149   5.711   8.946
  172    HG2  PRO  21           HG2      PRO  21   4.634   4.042   8.854
  173    HG3  PRO  21           HG1      PRO  21   3.154   3.791   9.797
  174    HD2  PRO  21           HD2      PRO  21   3.640   2.436   7.522
  175    HD3  PRO  21           HD1      PRO  21   2.000   2.927   7.989
  176    H    LYS  22           HN       LYS  22   5.052   4.475   5.843
  177    HA   LYS  22           HA       LYS  22   6.933   6.641   6.052
  178    HB2  LYS  22           HB2      LYS  22   7.093   4.045   4.516
  179    HB3  LYS  22           HB1      LYS  22   8.421   5.169   4.753
  180    HG2  LYS  22           HG2      LYS  22   6.977   3.734   6.954
  181    HG3  LYS  22           HG1      LYS  22   8.511   3.221   6.248
  182    HD2  LYS  22           HD2      LYS  22   9.444   5.460   6.891
  183    HD3  LYS  22           HD1      LYS  22   7.950   5.755   7.781
  184    HE2  LYS  22           HE2      LYS  22   9.628   4.947   9.303
  185    HE3  LYS  22           HE1      LYS  22   8.386   3.714   9.105
  186    HZ1  LYS  22           HZ1      LYS  22  10.658   2.817   9.058
  187    HZ2  LYS  22           HZ2      LYS  22  10.990   3.726   7.667
  188    HZ3  LYS  22           HZ3      LYS  22   9.815   2.506   7.627
  189    H    CYS  23           HN       CYS  23   5.555   4.891   3.279
  190    HA   CYS  23           HA       CYS  23   6.307   7.131   1.551
  191    HB2  CYS  23           HB2      CYS  23   5.963   5.543  -0.292
  192    HB3  CYS  23           HB1      CYS  23   7.040   4.871   0.921
  193    H    GLY  24           HN       GLY  24   3.537   5.328   2.713
  194    HA2  GLY  24           HA2      GLY  24   1.453   6.500   2.987
  195    HA3  GLY  24           HA1      GLY  24   1.803   7.381   1.509
  196    H    VAL  25           HN       VAL  25   2.570   4.058   1.429
  197    HA   VAL  25           HA       VAL  25   0.611   3.718  -0.658
  198    HB   VAL  25           HB       VAL  25   3.020   2.854  -0.715
  199   HG11  VAL  25          HG11      VAL  25   3.160   0.440   0.104
  200   HG12  VAL  25          HG12      VAL  25   1.795   0.848   1.148
  201   HG13  VAL  25          HG13      VAL  25   3.321   1.728   1.292
  202   HG21  VAL  25          HG21      VAL  25   1.379   2.301  -2.413
  203   HG22  VAL  25          HG22      VAL  25   0.768   0.979  -1.417
  204   HG23  VAL  25          HG23      VAL  25   2.406   0.909  -2.069
  205    H    ARG  26           HN       ARG  26  -0.852   1.964  -0.759
  206    HA   ARG  26           HA       ARG  26  -1.791   1.025   1.865
  207    HB2  ARG  26           HB2      ARG  26  -3.231   1.822  -0.645
  208    HB3  ARG  26           HB1      ARG  26  -3.970   0.654   0.442
  209    HG2  ARG  26           HG2      ARG  26  -3.037   3.374   1.322
  210    HG3  ARG  26           HG1      ARG  26  -4.682   3.026   0.780
  211    HD2  ARG  26           HD2      ARG  26  -4.828   1.277   2.535
  212    HD3  ARG  26           HD1      ARG  26  -3.242   1.779   3.115
  213    HE   ARG  26           HE       ARG  26  -4.719   4.070   3.145
  214   HH11  ARG  26          HH11      ARG  26  -5.084   0.876   4.513
  215   HH12  ARG  26          HH12      ARG  26  -5.965   1.426   5.905
  216   HH21  ARG  26          HH21      ARG  26  -5.891   4.809   4.981
  217   HH22  ARG  26          HH22      ARG  26  -6.426   3.660   6.167
  218    H    TYR  27           HN       TYR  27  -1.517  -1.090   2.214
  219    HA   TYR  27           HA       TYR  27  -1.423  -2.851  -0.136
  220    HB2  TYR  27           HB2      TYR  27  -0.082  -4.330   1.688
  221    HB3  TYR  27           HB1      TYR  27   0.685  -3.304   0.492
  222    HD1  TYR  27           HD1      TYR  27  -0.925  -2.656   3.806
  223    HD2  TYR  27           HD2      TYR  27   2.530  -2.277   1.361
  224    HE1  TYR  27           HE1      TYR  27   0.216  -1.419   5.595
  225    HE2  TYR  27           HE2      TYR  27   3.675  -1.058   3.156
  226    HH   TYR  27           HH       TYR  27   2.397  -0.885   6.345
  227    H    CYS  28           HN       CYS  28  -2.280  -4.848   0.018
  228    HA   CYS  28           HA       CYS  28  -4.722  -5.007   1.390
  229    HB2  CYS  28           HB2      CYS  28  -4.873  -7.253   0.399
  230    HB3  CYS  28           HB1      CYS  28  -4.365  -6.054  -0.783
  231    H    SER  29           HN       SER  29  -1.523  -6.081   2.204
  232    HA   SER  29           HA       SER  29  -2.195  -6.779   4.831
  233    HB2  SER  29           HB2      SER  29  -1.777  -9.259   4.664
  234    HB3  SER  29           HB1      SER  29  -3.283  -8.730   3.922
  235    HG   SER  29           HG       SER  29  -2.382  -8.946   1.917
  236    H    LEU  30           HN       LEU  30  -0.322  -8.516   5.591
  237    HA   LEU  30           HA       LEU  30   2.106  -7.106   5.442
  238    HB2  LEU  30           HB2      LEU  30   1.362  -8.623   7.289
  239    HB3  LEU  30           HB1      LEU  30   1.683  -9.985   6.238
  240    HG   LEU  30           HG       LEU  30   4.077  -9.258   6.137
  241   HD11  LEU  30          HD11      LEU  30   3.809  -6.923   6.722
  242   HD12  LEU  30          HD12      LEU  30   4.870  -7.721   7.882
  243   HD13  LEU  30          HD13      LEU  30   3.196  -7.369   8.314
  244   HD21  LEU  30          HD21      LEU  30   3.328 -11.054   7.609
  245   HD22  LEU  30          HD22      LEU  30   2.969  -9.875   8.872
  246   HD23  LEU  30          HD23      LEU  30   4.633 -10.126   8.347
  247    H    LYS  31           HN       LYS  31   0.678  -9.456   3.397
  248    HA   LYS  31           HA       LYS  31   2.909 -10.732   2.294
  249    HB2  LYS  31           HB2      LYS  31   0.312 -10.007   0.925
  250    HB3  LYS  31           HB1      LYS  31   1.470 -11.199   0.355
  251    HG2  LYS  31           HG2      LYS  31  -0.082 -11.348   2.930
  252    HG3  LYS  31           HG1      LYS  31  -0.433 -12.247   1.452
  253    HD2  LYS  31           HD2      LYS  31   1.746 -13.354   1.615
  254    HD3  LYS  31           HD1      LYS  31   2.091 -12.454   3.094
  255    HE2  LYS  31           HE2      LYS  31   1.340 -14.674   3.660
  256    HE3  LYS  31           HE1      LYS  31   0.122 -13.498   4.151
  257    HZ1  LYS  31           HZ1      LYS  31  -1.127 -14.029   2.139
  258    HZ2  LYS  31           HZ2      LYS  31  -0.899 -15.400   3.101
  259    HZ3  LYS  31           HZ3      LYS  31   0.032 -15.182   1.709
  260    H    CYS  32           HN       CYS  32   1.380  -7.672   1.448
  261    HA   CYS  32           HA       CYS  32   3.433  -7.210  -0.581
  262    HB2  CYS  32           HB2      CYS  32   0.869  -5.738   0.048
  263    HB3  CYS  32           HB1      CYS  32   2.023  -5.225  -1.179
  264    H    TYR  33           HN       TYR  33   2.628  -6.396   2.613
  265    HA   TYR  33           HA       TYR  33   3.726  -3.855   2.902
  266    HB2  TYR  33           HB2      TYR  33   2.389  -5.142   4.619
  267    HB3  TYR  33           HB1      TYR  33   3.844  -6.063   4.967
  268    HD1  TYR  33           HD1      TYR  33   5.177  -3.025   4.295
  269    HD2  TYR  33           HD2      TYR  33   2.699  -4.854   7.214
  270    HE1  TYR  33           HE1      TYR  33   5.818  -1.284   5.907
  271    HE2  TYR  33           HE2      TYR  33   3.352  -3.142   8.850
  272    HH   TYR  33           HH       TYR  33   5.000  -0.281   7.967
  273    H    LYS  34           HN       LYS  34   5.330  -6.949   3.762
  274    HA   LYS  34           HA       LYS  34   7.859  -5.545   3.894
  275    HB2  LYS  34           HB2      LYS  34   7.154  -8.423   4.444
  276    HB3  LYS  34           HB1      LYS  34   8.761  -7.740   4.651
  277    HG2  LYS  34           HG2      LYS  34   7.764  -6.108   6.261
  278    HG3  LYS  34           HG1      LYS  34   6.260  -7.025   6.161
  279    HD2  LYS  34           HD2      LYS  34   8.944  -8.081   7.058
  280    HD3  LYS  34           HD1      LYS  34   7.575  -7.705   8.103
  281    HE2  LYS  34           HE2      LYS  34   6.265  -9.460   7.093
  282    HE3  LYS  34           HE1      LYS  34   7.532  -9.774   5.909
  283    HZ1  LYS  34           HZ1      LYS  34   7.850 -10.111   8.840
  284    HZ2  LYS  34           HZ2      LYS  34   8.981 -10.520   7.651
  285    HZ3  LYS  34           HZ3      LYS  34   7.522 -11.368   7.760
  286    H    ASP  35           HN       ASP  35   6.986  -5.435   1.349
  287    HA   ASP  35           HA       ASP  35   8.654  -7.363  -0.098
  288    HB2  ASP  35           HB2      ASP  35   6.371  -7.295  -0.902
  289    HB3  ASP  35           HB1      ASP  35   6.429  -5.540  -1.036
  290    H    ALA  36           HN       ALA  36  10.182  -6.592  -1.576
  291    HA   ALA  36           HA       ALA  36  10.783  -3.720  -1.448
  292    HB1  ALA  36           HB1      ALA  36  13.170  -4.209  -1.282
  293    HB2  ALA  36           HB2      ALA  36  12.821  -5.937  -1.230
  294    HB3  ALA  36           HB3      ALA  36  12.291  -4.889   0.086
  295    H    ALA  37           HN       ALA  37   9.442  -5.412  -3.432
  296    HA   ALA  37           HA       ALA  37  11.287  -4.952  -5.698
  297    HB1  ALA  37           HB1      ALA  37   9.047  -6.960  -5.479
  298    HB2  ALA  37           HB2      ALA  37  10.773  -7.317  -5.434
  299    HB3  ALA  37           HB3      ALA  37  10.040  -6.688  -6.910
  300    H    LYS  38           HN       LYS  38   7.936  -4.925  -4.626
  301    HA   LYS  38           HA       LYS  38   7.300  -2.906  -6.673
  302    HB2  LYS  38           HB2      LYS  38   5.457  -4.674  -5.057
  303    HB3  LYS  38           HB1      LYS  38   4.940  -3.480  -6.240
  304    HG2  LYS  38           HG2      LYS  38   6.038  -4.725  -8.011
  305    HG3  LYS  38           HG1      LYS  38   6.624  -5.905  -6.836
  306    HD2  LYS  38           HD2      LYS  38   4.299  -6.446  -6.259
  307    HD3  LYS  38           HD1      LYS  38   3.740  -5.310  -7.485
  308    HE2  LYS  38           HE2      LYS  38   5.395  -7.786  -7.966
  309    HE3  LYS  38           HE1      LYS  38   3.680  -7.597  -8.324
  310    HZ1  LYS  38           HZ1      LYS  38   5.930  -6.138  -9.595
  311    HZ2  LYS  38           HZ2      LYS  38   4.302  -5.788  -9.868
  312    HZ3  LYS  38           HZ3      LYS  38   4.930  -7.293 -10.319
  313    H    HIS  39           HN       HIS  39   7.249  -3.700  -3.255
  314    HA   HIS  39           HA       HIS  39   6.217  -1.100  -2.499
  315    HB2  HIS  39           HB2      HIS  39   5.819  -3.211  -1.154
  316    HB3  HIS  39           HB1      HIS  39   7.521  -3.171  -0.713
  317    HD1  HIS  39           HD1      HIS  39   7.430  -2.535   1.741
  318    HD2  HIS  39           HD2      HIS  39   5.027  -0.139  -0.652
  319    HE1  HIS  39           HE1      HIS  39   6.565  -0.679   3.232
  320    H    VAL  40           HN       VAL  40   7.594   0.457  -3.187
  321    HA   VAL  40           HA       VAL  40  10.461   0.024  -2.985
  322    HB   VAL  40           HB       VAL  40   8.970   2.309  -4.273
  323   HG11  VAL  40          HG11      VAL  40  11.841   1.435  -4.533
  324   HG12  VAL  40          HG12      VAL  40  11.266   2.873  -3.691
  325   HG13  VAL  40          HG13      VAL  40  11.073   2.738  -5.439
  326   HG21  VAL  40          HG21      VAL  40   8.420   0.169  -5.320
  327   HG22  VAL  40          HG22      VAL  40  10.138  -0.176  -5.524
  328   HG23  VAL  40          HG23      VAL  40   9.400   1.170  -6.392
  329    H    HIS  41           HN       HIS  41  11.743   0.903  -1.545
  330    HA   HIS  41           HA       HIS  41  10.891   3.289  -0.097
  331    HB2  HIS  41           HB2      HIS  41  11.229   0.604   1.085
  332    HB3  HIS  41           HB1      HIS  41  11.958   1.936   1.971
  333    HD1  HIS  41           HD1      HIS  41   9.843   0.706   3.528
  334    HD2  HIS  41           HD2      HIS  41   8.940   3.494   0.576
  335    HE1  HIS  41           HE1      HIS  41   7.659   1.793   4.203
  336    H    LYS  42           HN       LYS  42  12.464   4.667   0.320
  337    HA   LYS  42           HA       LYS  42  15.196   3.655   0.617
  338    HB2  LYS  42           HB2      LYS  42  16.037   5.707  -0.553
  339    HB3  LYS  42           HB1      LYS  42  15.211   4.560  -1.595
  340    HG2  LYS  42           HG2      LYS  42  13.191   5.952  -1.500
  341    HG3  LYS  42           HG1      LYS  42  14.061   7.117  -0.498
  342    HD2  LYS  42           HD2      LYS  42  15.647   7.519  -2.280
  343    HD3  LYS  42           HD1      LYS  42  14.892   6.273  -3.273
  344    HE2  LYS  42           HE2      LYS  42  13.580   8.821  -2.341
  345    HE3  LYS  42           HE1      LYS  42  14.212   8.522  -3.958
  346    HZ1  LYS  42           HZ1      LYS  42  12.614   6.714  -4.194
  347    HZ2  LYS  42           HZ2      LYS  42  11.840   8.188  -3.906
  348    HZ3  LYS  42           HZ3      LYS  42  11.982   7.051  -2.662
  349    H    GLU  43           HN       GLU  43  12.847   4.658   2.244
  350    HA   GLU  43           HA       GLU  43  12.422   5.819   4.129
  351    HB2  GLU  43           HB2      GLU  43  15.392   5.417   4.415
  352    HB3  GLU  43           HB1      GLU  43  14.368   6.044   5.701
  353    HG2  GLU  43           HG2      GLU  43  14.215   3.335   4.404
  354    HG3  GLU  43           HG1      GLU  43  14.686   3.708   6.063
  355    H    SER  44           HN       SER  44  12.342   7.517   2.099
  356    HA   SER  44           HA       SER  44  12.397   9.712   1.534
  357    HB2  SER  44           HB2      SER  44  13.001  10.091   4.477
  358    HB3  SER  44           HB1      SER  44  12.430  11.342   3.374
  359    HG   SER  44           HG       SER  44  11.060   9.000   4.208
  360    H    GLU  45           HN       GLU  45  14.432   8.960   0.400
  361    HA   GLU  45           HA       GLU  45  16.946   9.790   1.519
  362    HB2  GLU  45           HB2      GLU  45  16.520   7.897  -0.197
  363    HB3  GLU  45           HB1      GLU  45  16.468   9.187  -1.391
  364    HG2  GLU  45           HG2      GLU  45  18.662   8.309  -1.408
  365    HG3  GLU  45           HG1      GLU  45  18.745   9.877  -0.608
  366    H    GLN  46           HN       GLN  46  16.076  11.962   1.965
  367    HA   GLN  46           HA       GLN  46  16.079  13.734  -0.373
  368    HB2  GLN  46           HB2      GLN  46  15.057  14.173   2.440
  369    HB3  GLN  46           HB1      GLN  46  15.009  15.375   1.157
  370    HG2  GLN  46           HG2      GLN  46  13.473  14.079  -0.110
  371    HG3  GLN  46           HG1      GLN  46  13.671  12.690   0.957
  372   HE21  GLN  46          HE21      GLN  46  12.274  15.857   0.600
  373   HE22  GLN  46          HE22      GLN  46  11.176  15.739   1.933
  Start of MODEL   14
    1    H1   GLY  -2           HT1      GLY  -2 -24.262  -1.970  -3.843
    2    H2   GLY  -2           HT2      GLY  -2 -23.882  -0.670  -2.835
    3    H3   GLY  -2           HT3      GLY  -2 -23.261  -0.729  -4.404
    4    HA2  GLY  -2           HA1      GLY  -2 -25.496  -0.543  -5.314
    5    HA3  GLY  -2           HA2      GLY  -2 -26.117  -0.436  -3.674
    6    HA   PRO  -1           HA       PRO  -1 -25.355   3.879  -5.329
    7    HB2  PRO  -1           HB2      PRO  -1 -27.906   4.333  -3.900
    8    HB3  PRO  -1           HB1      PRO  -1 -27.424   4.829  -5.525
    9    HG2  PRO  -1           HG2      PRO  -1 -29.181   2.857  -5.163
   10    HG3  PRO  -1           HG1      PRO  -1 -27.969   2.777  -6.457
   11    HD2  PRO  -1           HD2      PRO  -1 -27.985   1.414  -3.789
   12    HD3  PRO  -1           HD1      PRO  -1 -27.517   0.772  -5.377
   13    H    HIS   0           HN       HIS   0 -26.162   2.530  -2.204
   14    HA   HIS   0           HA       HIS   0 -25.382   4.953  -0.800
   15    HB2  HIS   0           HB2      HIS   0 -26.253   2.254   0.253
   16    HB3  HIS   0           HB1      HIS   0 -25.879   3.647   1.261
   17    HD1  HIS   0           HD1      HIS   0 -28.701   1.964   0.247
   18    HD2  HIS   0           HD2      HIS   0 -27.618   5.969   0.021
   19    HE1  HIS   0           HE1      HIS   0 -30.857   3.234   0.016
   20    HE2  HIS   0           HE2      HIS   0 -30.153   5.627  -0.338
   21    H    MET   1           HN       MET   1 -23.221   4.736  -1.900
   22    HA   MET   1           HA       MET   1 -21.410   3.372  -0.037
   23    HB2  MET   1           HB2      MET   1 -21.169   3.361  -3.056
   24    HB3  MET   1           HB1      MET   1 -19.891   2.854  -1.961
   25    HG2  MET   1           HG2      MET   1 -21.321   1.072  -1.106
   26    HG3  MET   1           HG1      MET   1 -22.611   1.587  -2.189
   27    HE1  MET   1           HE1      MET   1 -18.609  -0.244  -3.583
   28    HE2  MET   1           HE2      MET   1 -19.071  -0.054  -1.892
   29    HE3  MET   1           HE3      MET   1 -18.730   1.368  -2.877
   30    H    VAL   2           HN       VAL   2 -19.657   4.565   0.552
   31    HA   VAL   2           HA       VAL   2 -19.657   7.338  -0.371
   32    HB   VAL   2           HB       VAL   2 -18.161   7.770   1.573
   33   HG11  VAL   2          HG11      VAL   2 -20.556   8.114   1.765
   34   HG12  VAL   2          HG12      VAL   2 -19.902   7.504   3.283
   35   HG13  VAL   2          HG13      VAL   2 -20.784   6.424   2.206
   36   HG21  VAL   2          HG21      VAL   2 -17.917   6.055   3.297
   37   HG22  VAL   2          HG22      VAL   2 -17.173   5.545   1.782
   38   HG23  VAL   2          HG23      VAL   2 -18.738   4.888   2.261
   39    H    SER   3           HN       SER   3 -17.911   4.453  -0.677
   40    HA   SER   3           HA       SER   3 -16.093   3.840  -1.872
   41    HB2  SER   3           HB2      SER   3 -16.252   6.610  -3.074
   42    HB3  SER   3           HB1      SER   3 -15.453   5.201  -3.772
   43    HG   SER   3           HG       SER   3 -17.439   4.225  -4.043
   44    H    SER   4           HN       SER   4 -15.698   5.035   0.721
   45    HA   SER   4           HA       SER   4 -13.291   6.637   0.504
   46    HB2  SER   4           HB2      SER   4 -14.669   5.538   2.966
   47    HB3  SER   4           HB1      SER   4 -13.402   6.765   2.938
   48    HG   SER   4           HG       SER   4 -14.990   7.913   1.478
   49    H    ALA   5           HN       ALA   5 -13.738   3.579  -0.086
   50    HA   ALA   5           HA       ALA   5 -11.579   2.490   1.545
   51    HB1  ALA   5           HB1      ALA   5 -13.434   1.144  -0.420
   52    HB2  ALA   5           HB2      ALA   5 -13.553   1.087   1.338
   53    HB3  ALA   5           HB3      ALA   5 -12.187   0.326   0.520
   54    H    VAL   6           HN       VAL   6 -10.140   0.939   0.251
   55    HA   VAL   6           HA       VAL   6  -9.246   2.212  -2.203
   56    HB   VAL   6           HB       VAL   6  -8.290   3.413  -0.170
   57   HG11  VAL   6          HG11      VAL   6  -6.355   2.380   0.911
   58   HG12  VAL   6          HG12      VAL   6  -6.684   0.876   0.053
   59   HG13  VAL   6          HG13      VAL   6  -7.844   1.491   1.229
   60   HG21  VAL   6          HG21      VAL   6  -6.400   2.209  -2.166
   61   HG22  VAL   6          HG22      VAL   6  -6.092   3.641  -1.182
   62   HG23  VAL   6          HG23      VAL   6  -7.384   3.655  -2.381
   63    H    LYS   7           HN       LYS   7  -7.733   0.916  -3.372
   64    HA   LYS   7           HA       LYS   7  -7.807  -1.908  -2.592
   65    HB2  LYS   7           HB2      LYS   7  -6.912  -0.740  -5.229
   66    HB3  LYS   7           HB1      LYS   7  -7.284  -2.421  -4.881
   67    HG2  LYS   7           HG2      LYS   7  -9.241  -0.143  -4.952
   68    HG3  LYS   7           HG1      LYS   7  -9.058  -1.416  -6.155
   69    HD2  LYS   7           HD2      LYS   7  -9.628  -3.069  -4.360
   70    HD3  LYS   7           HD1      LYS   7 -10.007  -1.701  -3.309
   71    HE2  LYS   7           HE2      LYS   7 -11.608  -0.920  -5.077
   72    HE3  LYS   7           HE1      LYS   7 -11.331  -2.449  -5.906
   73    HZ1  LYS   7           HZ1      LYS   7 -13.300  -2.607  -4.578
   74    HZ2  LYS   7           HZ2      LYS   7 -12.478  -2.092  -3.192
   75    HZ3  LYS   7           HZ3      LYS   7 -12.112  -3.591  -3.886
   76    H    CYS   8           HN       CYS   8  -5.866  -3.212  -2.869
   77    HA   CYS   8           HA       CYS   8  -3.573  -2.093  -1.678
   78    HB2  CYS   8           HB2      CYS   8  -4.170  -4.502  -1.618
   79    HB3  CYS   8           HB1      CYS   8  -3.792  -4.620  -3.330
   80    H    GLY   9           HN       GLY   9  -2.209  -0.687  -2.584
   81    HA2  GLY   9           HA2      GLY   9  -2.177  -0.280  -5.437
   82    HA3  GLY   9           HA1      GLY   9  -1.248   0.610  -4.238
   83    H    ILE  10           HN       ILE  10  -0.844  -2.697  -3.818
   84    HA   ILE  10           HA       ILE  10   1.726  -2.540  -5.225
   85    HB   ILE  10           HB       ILE  10   1.060  -4.315  -2.879
   86   HG12  ILE  10          HG12      ILE  10   2.339  -1.585  -3.037
   87   HG13  ILE  10          HG11      ILE  10   0.952  -2.078  -2.074
   88   HG21  ILE  10          HG21      ILE  10   3.711  -3.580  -4.120
   89   HG22  ILE  10          HG22      ILE  10   2.881  -5.124  -4.321
   90   HG23  ILE  10          HG23      ILE  10   3.469  -4.639  -2.731
   91   HD11  ILE  10          HD11      ILE  10   2.363  -3.350  -0.609
   92   HD12  ILE  10          HD12      ILE  10   3.008  -1.716  -0.757
   93   HD13  ILE  10          HD13      ILE  10   3.759  -3.046  -1.633
   94    H    CYS  11           HN       CYS  11  -1.054  -4.662  -4.588
   95    HA   CYS  11           HA       CYS  11  -0.128  -6.273  -6.873
   96    HB2  CYS  11           HB2      CYS  11  -1.017  -8.270  -5.904
   97    HB3  CYS  11           HB1      CYS  11  -0.015  -7.483  -4.690
   98    H    ARG  12           HN       ARG  12  -2.570  -4.337  -5.598
   99    HA   ARG  12           HA       ARG  12  -4.589  -3.634  -6.324
  100    HB2  ARG  12           HB2      ARG  12  -3.730  -4.938  -8.911
  101    HB3  ARG  12           HB1      ARG  12  -5.091  -3.839  -8.738
  102    HG2  ARG  12           HG2      ARG  12  -2.209  -3.147  -8.198
  103    HG3  ARG  12           HG1      ARG  12  -3.112  -2.728  -9.656
  104    HD2  ARG  12           HD2      ARG  12  -4.662  -1.403  -8.332
  105    HD3  ARG  12           HD1      ARG  12  -3.812  -1.855  -6.856
  106    HE   ARG  12           HE       ARG  12  -1.884  -0.721  -8.403
  107   HH11  ARG  12          HH11      ARG  12  -5.052   0.332  -7.339
  108   HH12  ARG  12          HH12      ARG  12  -4.599   2.005  -7.236
  109   HH21  ARG  12          HH21      ARG  12  -1.293   1.490  -8.269
  110   HH22  ARG  12          HH22      ARG  12  -2.472   2.660  -7.764
  111    H    GLY  13           HN       GLY  13  -4.282  -6.392  -5.176
  112    HA2  GLY  13           HA2      GLY  13  -6.227  -8.005  -6.558
  113    HA3  GLY  13           HA1      GLY  13  -5.426  -8.396  -5.047
  114    H    VAL  14           HN       VAL  14  -6.154  -7.110  -3.132
  115    HA   VAL  14           HA       VAL  14  -9.047  -6.609  -3.317
  116    HB   VAL  14           HB       VAL  14  -9.323  -7.400  -1.049
  117   HG11  VAL  14          HG11      VAL  14  -8.786  -9.769  -1.340
  118   HG12  VAL  14          HG12      VAL  14  -7.704  -9.358  -2.672
  119   HG13  VAL  14          HG13      VAL  14  -9.437  -9.067  -2.821
  120   HG21  VAL  14          HG21      VAL  14  -7.438  -8.437   0.182
  121   HG22  VAL  14          HG22      VAL  14  -7.235  -6.702  -0.067
  122   HG23  VAL  14          HG23      VAL  14  -6.340  -7.845  -1.068
  123    H    ASP  15           HN       ASP  15  -9.501  -5.490  -0.874
  124    HA   ASP  15           HA       ASP  15  -8.740  -2.833  -1.214
  125    HB2  ASP  15           HB2      ASP  15  -9.659  -2.486   1.058
  126    HB3  ASP  15           HB1      ASP  15 -10.730  -3.417   0.021
  127    H    GLY  16           HN       GLY  16  -7.290  -1.516  -0.225
  128    HA2  GLY  16           HA2      GLY  16  -4.954  -2.807   0.951
  129    HA3  GLY  16           HA1      GLY  16  -5.077  -1.123   0.451
  130    H    LYS  17           HN       LYS  17  -6.396  -3.403   2.791
  131    HA   LYS  17           HA       LYS  17  -7.426  -1.497   4.583
  132    HB2  LYS  17           HB2      LYS  17  -7.212  -3.483   6.228
  133    HB3  LYS  17           HB1      LYS  17  -8.302  -3.614   4.853
  134    HG2  LYS  17           HG2      LYS  17  -6.825  -5.003   3.677
  135    HG3  LYS  17           HG1      LYS  17  -5.483  -4.630   4.755
  136    HD2  LYS  17           HD2      LYS  17  -6.304  -6.824   5.270
  137    HD3  LYS  17           HD1      LYS  17  -6.726  -5.731   6.588
  138    HE2  LYS  17           HE2      LYS  17  -8.575  -7.250   5.982
  139    HE3  LYS  17           HE1      LYS  17  -8.990  -5.549   5.776
  140    HZ1  LYS  17           HZ1      LYS  17  -8.768  -5.727   3.440
  141    HZ2  LYS  17           HZ2      LYS  17  -9.689  -7.062   3.931
  142    HZ3  LYS  17           HZ3      LYS  17  -8.057  -7.264   3.545
  143    H    TYR  18           HN       TYR  18  -4.231  -2.767   4.170
  144    HA   TYR  18           HA       TYR  18  -3.328  -1.485   6.641
  145    HB2  TYR  18           HB2      TYR  18  -2.182  -3.577   4.828
  146    HB3  TYR  18           HB1      TYR  18  -1.110  -2.647   5.864
  147    HD1  TYR  18           HD1      TYR  18  -4.289  -4.560   6.104
  148    HD2  TYR  18           HD2      TYR  18  -0.595  -3.552   7.928
  149    HE1  TYR  18           HE1      TYR  18  -4.785  -6.112   7.932
  150    HE2  TYR  18           HE2      TYR  18  -1.078  -5.104   9.776
  151    HH   TYR  18           HH       TYR  18  -3.590  -7.392   9.633
  152    H    LYS  19           HN       LYS  19  -1.609   0.047   6.580
  153    HA   LYS  19           HA       LYS  19  -1.118   1.272   3.961
  154    HB2  LYS  19           HB2      LYS  19  -3.101   2.332   5.141
  155    HB3  LYS  19           HB1      LYS  19  -1.986   2.864   6.382
  156    HG2  LYS  19           HG2      LYS  19  -1.584   3.600   3.511
  157    HG3  LYS  19           HG1      LYS  19  -2.681   4.504   4.545
  158    HD2  LYS  19           HD2      LYS  19  -0.689   4.692   6.150
  159    HD3  LYS  19           HD1      LYS  19   0.285   4.185   4.765
  160    HE2  LYS  19           HE2      LYS  19   0.331   6.536   4.742
  161    HE3  LYS  19           HE1      LYS  19  -0.813   6.063   3.487
  162    HZ1  LYS  19           HZ1      LYS  19  -2.629   6.533   4.993
  163    HZ2  LYS  19           HZ2      LYS  19  -1.641   7.897   4.836
  164    HZ3  LYS  19           HZ3      LYS  19  -1.544   6.942   6.224
  165    H    CYS  20           HN       CYS  20   0.817   2.394   3.797
  166    HA   CYS  20           HA       CYS  20   2.716   1.896   5.979
  167    HB2  CYS  20           HB2      CYS  20   3.350   1.116   3.727
  168    HB3  CYS  20           HB1      CYS  20   3.253   2.769   3.133
  169    HA   PRO  21           HA       PRO  21   2.042   6.259   6.890
  170    HB2  PRO  21           HB2      PRO  21   3.498   6.260   9.188
  171    HB3  PRO  21           HB1      PRO  21   1.835   5.670   9.097
  172    HG2  PRO  21           HG2      PRO  21   4.400   4.120   9.046
  173    HG3  PRO  21           HG1      PRO  21   2.903   3.777   9.936
  174    HD2  PRO  21           HD2      PRO  21   3.515   2.509   7.636
  175    HD3  PRO  21           HD1      PRO  21   1.842   2.914   8.074
  176    H    LYS  22           HN       LYS  22   4.766   4.681   5.820
  177    HA   LYS  22           HA       LYS  22   6.562   6.946   6.234
  178    HB2  LYS  22           HB2      LYS  22   7.107   4.274   4.941
  179    HB3  LYS  22           HB1      LYS  22   8.306   5.494   5.345
  180    HG2  LYS  22           HG2      LYS  22   6.591   3.993   7.305
  181    HG3  LYS  22           HG1      LYS  22   8.289   3.674   6.961
  182    HD2  LYS  22           HD2      LYS  22   8.793   6.014   7.690
  183    HD3  LYS  22           HD1      LYS  22   7.109   6.158   8.197
  184    HE2  LYS  22           HE2      LYS  22   8.438   5.604  10.113
  185    HE3  LYS  22           HE1      LYS  22   7.451   4.205   9.692
  186    HZ1  LYS  22           HZ1      LYS  22   9.711   3.554  10.214
  187    HZ2  LYS  22           HZ2      LYS  22  10.320   4.572   9.013
  188    HZ3  LYS  22           HZ3      LYS  22   9.380   3.235   8.588
  189    H    CYS  23           HN       CYS  23   5.583   4.891   3.469
  190    HA   CYS  23           HA       CYS  23   6.381   7.079   1.702
  191    HB2  CYS  23           HB2      CYS  23   6.175   5.445  -0.147
  192    HB3  CYS  23           HB1      CYS  23   7.311   4.931   1.089
  193    H    GLY  24           HN       GLY  24   3.593   5.373   2.824
  194    HA2  GLY  24           HA2      GLY  24   1.453   6.379   2.831
  195    HA3  GLY  24           HA1      GLY  24   1.919   7.328   1.427
  196    H    VAL  25           HN       VAL  25   2.707   3.986   1.465
  197    HA   VAL  25           HA       VAL  25   0.978   3.595  -0.822
  198    HB   VAL  25           HB       VAL  25   3.415   2.764  -0.608
  199   HG11  VAL  25          HG11      VAL  25   3.270   1.643   1.511
  200   HG12  VAL  25          HG12      VAL  25   3.625   0.461   0.254
  201   HG13  VAL  25          HG13      VAL  25   1.991   0.587   0.909
  202   HG21  VAL  25          HG21      VAL  25   2.954   0.823  -2.027
  203   HG22  VAL  25          HG22      VAL  25   1.995   2.228  -2.488
  204   HG23  VAL  25          HG23      VAL  25   1.251   0.913  -1.580
  205    H    ARG  26           HN       ARG  26  -0.390   1.741  -0.991
  206    HA   ARG  26           HA       ARG  26  -1.603   0.946   1.569
  207    HB2  ARG  26           HB2      ARG  26  -2.830   1.485  -1.137
  208    HB3  ARG  26           HB1      ARG  26  -3.671   0.554   0.092
  209    HG2  ARG  26           HG2      ARG  26  -2.670   3.355   0.514
  210    HG3  ARG  26           HG1      ARG  26  -4.306   2.957  -0.020
  211    HD2  ARG  26           HD2      ARG  26  -4.566   1.569   2.025
  212    HD3  ARG  26           HD1      ARG  26  -2.990   2.143   2.566
  213    HE   ARG  26           HE       ARG  26  -4.219   4.452   2.206
  214   HH11  ARG  26          HH11      ARG  26  -5.471   1.510   3.624
  215   HH12  ARG  26          HH12      ARG  26  -6.521   2.338   4.730
  216   HH21  ARG  26          HH21      ARG  26  -5.597   5.552   3.652
  217   HH22  ARG  26          HH22      ARG  26  -6.600   4.643   4.741
  218    H    TYR  27           HN       TYR  27  -1.574  -1.165   2.006
  219    HA   TYR  27           HA       TYR  27  -1.379  -3.025  -0.250
  220    HB2  TYR  27           HB2      TYR  27  -0.047  -4.426   1.650
  221    HB3  TYR  27           HB1      TYR  27   0.727  -3.489   0.387
  222    HD1  TYR  27           HD1      TYR  27  -0.760  -2.828   3.737
  223    HD2  TYR  27           HD2      TYR  27   2.500  -2.215   1.096
  224    HE1  TYR  27           HE1      TYR  27   0.383  -1.479   5.454
  225    HE2  TYR  27           HE2      TYR  27   3.650  -0.882   2.807
  226    HH   TYR  27           HH       TYR  27   2.582  -0.800   6.054
  227    H    CYS  28           HN       CYS  28  -2.304  -4.958  -0.009
  228    HA   CYS  28           HA       CYS  28  -4.689  -5.009   1.462
  229    HB2  CYS  28           HB2      CYS  28  -4.939  -7.268   0.530
  230    HB3  CYS  28           HB1      CYS  28  -4.465  -6.108  -0.698
  231    H    SER  29           HN       SER  29  -1.499  -6.269   2.082
  232    HA   SER  29           HA       SER  29  -2.084  -6.960   4.761
  233    HB2  SER  29           HB2      SER  29  -1.714  -9.269   2.825
  234    HB3  SER  29           HB1      SER  29  -1.651  -9.417   4.579
  235    HG   SER  29           HG       SER  29  -3.912  -8.154   3.697
  236    H    LEU  30           HN       LEU  30  -0.129  -8.560   5.518
  237    HA   LEU  30           HA       LEU  30   2.201  -7.040   5.277
  238    HB2  LEU  30           HB2      LEU  30   1.694  -9.814   6.284
  239    HB3  LEU  30           HB1      LEU  30   3.310  -9.135   6.259
  240    HG   LEU  30           HG       LEU  30   0.951  -7.974   7.751
  241   HD11  LEU  30          HD11      LEU  30   2.122  -8.707   9.751
  242   HD12  LEU  30          HD12      LEU  30   3.378  -9.444   8.757
  243   HD13  LEU  30          HD13      LEU  30   1.732 -10.076   8.711
  244   HD21  LEU  30          HD21      LEU  30   3.858  -7.181   7.721
  245   HD22  LEU  30          HD22      LEU  30   2.620  -6.508   8.778
  246   HD23  LEU  30          HD23      LEU  30   2.523  -6.260   7.037
  247    H    LYS  31           HN       LYS  31   1.034  -9.656   3.331
  248    HA   LYS  31           HA       LYS  31   3.386 -10.600   2.211
  249    HB2  LYS  31           HB2      LYS  31   0.667 -10.280   0.929
  250    HB3  LYS  31           HB1      LYS  31   1.978 -11.232   0.252
  251    HG2  LYS  31           HG2      LYS  31   0.648 -11.730   2.903
  252    HG3  LYS  31           HG1      LYS  31   0.338 -12.619   1.411
  253    HD2  LYS  31           HD2      LYS  31   2.976 -12.476   2.874
  254    HD3  LYS  31           HD1      LYS  31   1.867 -13.845   2.876
  255    HE2  LYS  31           HE2      LYS  31   2.156 -14.079   0.457
  256    HE3  LYS  31           HE1      LYS  31   3.266 -12.711   0.457
  257    HZ1  LYS  31           HZ1      LYS  31   4.757 -13.961   1.881
  258    HZ2  LYS  31           HZ2      LYS  31   4.451 -14.807   0.450
  259    HZ3  LYS  31           HZ3      LYS  31   3.691 -15.275   1.887
  260    H    CYS  32           HN       CYS  32   1.471  -7.778   1.359
  261    HA   CYS  32           HA       CYS  32   3.396  -7.056  -0.709
  262    HB2  CYS  32           HB2      CYS  32   0.754  -5.822   0.094
  263    HB3  CYS  32           HB1      CYS  32   1.787  -5.210  -1.197
  264    H    TYR  33           HN       TYR  33   2.496  -6.283   2.525
  265    HA   TYR  33           HA       TYR  33   3.654  -3.743   2.809
  266    HB2  TYR  33           HB2      TYR  33   2.200  -5.038   4.473
  267    HB3  TYR  33           HB1      TYR  33   3.663  -5.905   4.919
  268    HD1  TYR  33           HD1      TYR  33   5.237  -3.086   4.407
  269    HD2  TYR  33           HD2      TYR  33   2.060  -4.430   6.893
  270    HE1  TYR  33           HE1      TYR  33   5.763  -1.315   6.042
  271    HE2  TYR  33           HE2      TYR  33   2.585  -2.682   8.531
  272    HH   TYR  33           HH       TYR  33   4.615  -1.310   9.178
  273    H    LYS  34           HN       LYS  34   5.006  -6.950   3.548
  274    HA   LYS  34           HA       LYS  34   7.640  -5.807   3.922
  275    HB2  LYS  34           HB2      LYS  34   6.681  -8.667   4.106
  276    HB3  LYS  34           HB1      LYS  34   8.286  -8.105   4.547
  277    HG2  LYS  34           HG2      LYS  34   7.279  -6.665   6.273
  278    HG3  LYS  34           HG1      LYS  34   5.694  -7.317   5.859
  279    HD2  LYS  34           HD2      LYS  34   6.449  -9.560   6.457
  280    HD3  LYS  34           HD1      LYS  34   8.050  -8.929   6.836
  281    HE2  LYS  34           HE2      LYS  34   5.484  -8.189   8.234
  282    HE3  LYS  34           HE1      LYS  34   6.719  -9.280   8.855
  283    HZ1  LYS  34           HZ1      LYS  34   8.292  -7.428   8.822
  284    HZ2  LYS  34           HZ2      LYS  34   6.964  -7.101   9.815
  285    HZ3  LYS  34           HZ3      LYS  34   7.069  -6.389   8.288
  286    H    ASP  35           HN       ASP  35   6.766  -5.466   1.315
  287    HA   ASP  35           HA       ASP  35   8.486  -7.311  -0.180
  288    HB2  ASP  35           HB2      ASP  35   6.214  -7.322  -1.015
  289    HB3  ASP  35           HB1      ASP  35   6.188  -5.565  -1.083
  290    H    ALA  36           HN       ALA  36  10.005  -6.416  -1.617
  291    HA   ALA  36           HA       ALA  36  10.506  -3.534  -1.288
  292    HB1  ALA  36           HB1      ALA  36  12.075  -4.786   0.105
  293    HB2  ALA  36           HB2      ALA  36  12.907  -3.969  -1.218
  294    HB3  ALA  36           HB3      ALA  36  12.602  -5.703  -1.306
  295    H    ALA  37           HN       ALA  37   9.620  -5.796  -3.398
  296    HA   ALA  37           HA       ALA  37  11.315  -5.010  -5.628
  297    HB1  ALA  37           HB1      ALA  37   8.943  -6.870  -5.524
  298    HB2  ALA  37           HB2      ALA  37  10.636  -7.349  -5.416
  299    HB3  ALA  37           HB3      ALA  37  10.014  -6.639  -6.905
  300    H    LYS  38           HN       LYS  38   7.938  -4.810  -4.625
  301    HA   LYS  38           HA       LYS  38   7.453  -2.756  -6.672
  302    HB2  LYS  38           HB2      LYS  38   5.511  -4.308  -4.957
  303    HB3  LYS  38           HB1      LYS  38   5.065  -3.108  -6.163
  304    HG2  LYS  38           HG2      LYS  38   6.030  -4.503  -7.915
  305    HG3  LYS  38           HG1      LYS  38   6.492  -5.704  -6.706
  306    HD2  LYS  38           HD2      LYS  38   4.151  -6.009  -6.112
  307    HD3  LYS  38           HD1      LYS  38   3.678  -4.803  -7.305
  308    HE2  LYS  38           HE2      LYS  38   3.327  -7.008  -8.211
  309    HE3  LYS  38           HE1      LYS  38   4.643  -6.221  -9.076
  310    HZ1  LYS  38           HZ1      LYS  38   5.182  -8.506  -8.582
  311    HZ2  LYS  38           HZ2      LYS  38   4.939  -8.246  -6.929
  312    HZ3  LYS  38           HZ3      LYS  38   6.216  -7.476  -7.726
  313    H    HIS  39           HN       HIS  39   7.155  -3.484  -3.227
  314    HA   HIS  39           HA       HIS  39   6.465  -0.747  -2.578
  315    HB2  HIS  39           HB2      HIS  39   5.547  -2.637  -1.276
  316    HB3  HIS  39           HB1      HIS  39   7.172  -3.080  -0.777
  317    HD1  HIS  39           HD1      HIS  39   6.760  -2.683   1.735
  318    HD2  HIS  39           HD2      HIS  39   5.948   0.622  -0.652
  319    HE1  HIS  39           HE1      HIS  39   6.480  -0.730   3.301
  320    H    VAL  40           HN       VAL  40   8.246   0.411  -3.369
  321    HA   VAL  40           HA       VAL  40  10.865  -0.285  -2.285
  322    HB   VAL  40           HB       VAL  40  10.135   1.637  -4.493
  323   HG11  VAL  40          HG11      VAL  40  12.161   2.362  -3.362
  324   HG12  VAL  40          HG12      VAL  40  12.544   1.727  -4.962
  325   HG13  VAL  40          HG13      VAL  40  12.850   0.749  -3.528
  326   HG21  VAL  40          HG21      VAL  40  11.159  -0.026  -5.973
  327   HG22  VAL  40          HG22      VAL  40   9.769  -0.685  -5.111
  328   HG23  VAL  40          HG23      VAL  40  11.403  -1.097  -4.592
  329    H    HIS  41           HN       HIS  41  11.647   0.688  -0.621
  330    HA   HIS  41           HA       HIS  41  10.750   3.392   0.008
  331    HB2  HIS  41           HB2      HIS  41  11.769   1.153   1.641
  332    HB3  HIS  41           HB1      HIS  41  12.307   2.761   2.118
  333    HD1  HIS  41           HD1      HIS  41  10.569   1.557   4.169
  334    HD2  HIS  41           HD2      HIS  41   8.995   3.480   0.845
  335    HE1  HIS  41           HE1      HIS  41   8.294   2.430   4.857
  336    H    LYS  42           HN       LYS  42  11.886   4.989  -0.632
  337    HA   LYS  42           HA       LYS  42  14.812   4.808  -0.701
  338    HB2  LYS  42           HB2      LYS  42  14.848   5.923  -2.888
  339    HB3  LYS  42           HB1      LYS  42  13.993   4.390  -2.994
  340    HG2  LYS  42           HG2      LYS  42  11.856   5.593  -2.858
  341    HG3  LYS  42           HG1      LYS  42  12.735   7.121  -2.809
  342    HD2  LYS  42           HD2      LYS  42  13.751   6.497  -5.015
  343    HD3  LYS  42           HD1      LYS  42  12.641   5.126  -5.064
  344    HE2  LYS  42           HE2      LYS  42  11.856   8.031  -4.886
  345    HE3  LYS  42           HE1      LYS  42  11.780   7.034  -6.335
  346    HZ1  LYS  42           HZ1      LYS  42  10.239   6.567  -3.836
  347    HZ2  LYS  42           HZ2      LYS  42  10.152   5.632  -5.241
  348    HZ3  LYS  42           HZ3      LYS  42   9.624   7.236  -5.261
  349    H    GLU  43           HN       GLU  43  12.748   5.964   1.039
  350    HA   GLU  43           HA       GLU  43  12.262   8.673   0.524
  351    HB2  GLU  43           HB2      GLU  43  12.400   7.414   3.263
  352    HB3  GLU  43           HB1      GLU  43  11.436   8.795   2.763
  353    HG2  GLU  43           HG2      GLU  43  11.033   5.904   2.053
  354    HG3  GLU  43           HG1      GLU  43   9.962   6.959   2.973
  355    H    SER  44           HN       SER  44  14.690   7.115   2.587
  356    HA   SER  44           HA       SER  44  16.034   9.654   3.016
  357    HB2  SER  44           HB2      SER  44  15.879   8.025   4.872
  358    HB3  SER  44           HB1      SER  44  16.778   6.852   3.913
  359    HG   SER  44           HG       SER  44  17.667   9.241   5.109
  360    H    GLU  45           HN       GLU  45  17.771  10.330   1.880
  361    HA   GLU  45           HA       GLU  45  18.544   8.904  -0.466
  362    HB2  GLU  45           HB2      GLU  45  18.505  11.381  -0.352
  363    HB3  GLU  45           HB1      GLU  45  19.841  11.330   0.790
  364    HG2  GLU  45           HG2      GLU  45  21.247  10.270  -0.909
  365    HG3  GLU  45           HG1      GLU  45  19.908  10.343  -2.053
  366    H    GLN  46           HN       GLN  46  19.420   6.990   0.085
  367    HA   GLN  46           HA       GLN  46  21.808   6.987   1.793
  368    HB2  GLN  46           HB2      GLN  46  20.069   4.666   0.916
  369    HB3  GLN  46           HB1      GLN  46  21.411   4.585   2.051
  370    HG2  GLN  46           HG2      GLN  46  20.231   5.910   3.647
  371    HG3  GLN  46           HG1      GLN  46  18.942   6.241   2.494
  372   HE21  GLN  46          HE21      GLN  46  20.430   3.097   2.850
  373   HE22  GLN  46          HE22      GLN  46  19.050   2.316   3.544
  Start of MODEL   15
    1    H1   GLY  -2           HT1      GLY  -2 -22.687   9.376  -6.179
    2    H2   GLY  -2           HT2      GLY  -2 -24.078  10.260  -5.814
    3    H3   GLY  -2           HT3      GLY  -2 -22.755  10.297  -4.764
    4    HA2  GLY  -2           HA1      GLY  -2 -22.846  11.399  -7.512
    5    HA3  GLY  -2           HA2      GLY  -2 -22.842  12.330  -6.023
    6    HA   PRO  -1           HA       PRO  -1 -18.493  12.307  -7.410
    7    HB2  PRO  -1           HB2      PRO  -1 -17.780  14.494  -5.927
    8    HB3  PRO  -1           HB1      PRO  -1 -18.491  14.584  -7.540
    9    HG2  PRO  -1           HG2      PRO  -1 -19.793  14.923  -4.874
   10    HG3  PRO  -1           HG1      PRO  -1 -20.053  15.833  -6.373
   11    HD2  PRO  -1           HD2      PRO  -1 -21.750  13.909  -5.526
   12    HD3  PRO  -1           HD1      PRO  -1 -21.458  14.228  -7.246
   13    H    HIS   0           HN       HIS   0 -19.832  12.298  -4.189
   14    HA   HIS   0           HA       HIS   0 -17.293  11.239  -3.144
   15    HB2  HIS   0           HB2      HIS   0 -18.124  13.209  -1.942
   16    HB3  HIS   0           HB1      HIS   0 -19.663  12.403  -1.662
   17    HD1  HIS   0           HD1      HIS   0 -19.869  11.264   0.517
   18    HD2  HIS   0           HD2      HIS   0 -15.897  11.734  -0.604
   19    HE1  HIS   0           HE1      HIS   0 -18.516  10.437   2.465
   20    HE2  HIS   0           HE2      HIS   0 -16.120  10.874   1.826
   21    H    MET   1           HN       MET   1 -17.310   9.100  -3.422
   22    HA   MET   1           HA       MET   1 -19.664   7.495  -3.318
   23    HB2  MET   1           HB2      MET   1 -17.617   6.908  -4.612
   24    HB3  MET   1           HB1      MET   1 -16.773   6.643  -3.094
   25    HG2  MET   1           HG2      MET   1 -18.248   4.815  -2.545
   26    HG3  MET   1           HG1      MET   1 -19.209   5.121  -3.990
   27    HE1  MET   1           HE1      MET   1 -15.305   5.355  -3.743
   28    HE2  MET   1           HE2      MET   1 -14.824   3.700  -4.122
   29    HE3  MET   1           HE3      MET   1 -15.697   4.046  -2.628
   30    H    VAL   2           HN       VAL   2 -20.609   6.540  -1.641
   31    HA   VAL   2           HA       VAL   2 -19.990   7.386   0.986
   32    HB   VAL   2           HB       VAL   2 -21.825   5.117   0.198
   33   HG11  VAL   2          HG11      VAL   2 -21.281   5.223   2.586
   34   HG12  VAL   2          HG12      VAL   2 -22.975   5.607   2.282
   35   HG13  VAL   2          HG13      VAL   2 -21.828   6.898   2.631
   36   HG21  VAL   2          HG21      VAL   2 -22.433   8.061   0.446
   37   HG22  VAL   2          HG22      VAL   2 -23.623   6.784   0.191
   38   HG23  VAL   2          HG23      VAL   2 -22.413   7.122  -1.046
   39    H    SER   3           HN       SER   3 -19.586   4.302  -0.707
   40    HA   SER   3           HA       SER   3 -18.218   3.152   1.581
   41    HB2  SER   3           HB2      SER   3 -18.734   2.020  -1.181
   42    HB3  SER   3           HB1      SER   3 -18.059   1.128   0.182
   43    HG   SER   3           HG       SER   3 -20.675   1.962  -0.296
   44    H    SER   4           HN       SER   4 -16.750   5.165   1.194
   45    HA   SER   4           HA       SER   4 -14.824   5.114  -0.853
   46    HB2  SER   4           HB2      SER   4 -13.523   6.587   0.773
   47    HB3  SER   4           HB1      SER   4 -15.140   7.151   0.343
   48    HG   SER   4           HG       SER   4 -14.465   5.680   2.682
   49    H    ALA   5           HN       ALA   5 -13.413   3.562  -1.207
   50    HA   ALA   5           HA       ALA   5 -11.842   2.491   0.997
   51    HB1  ALA   5           HB1      ALA   5 -13.315   0.711  -0.947
   52    HB2  ALA   5           HB2      ALA   5 -13.694   0.899   0.764
   53    HB3  ALA   5           HB3      ALA   5 -12.160   0.175   0.273
   54    H    VAL   6           HN       VAL   6 -10.051   1.164   0.193
   55    HA   VAL   6           HA       VAL   6  -9.075   2.266  -2.343
   56    HB   VAL   6           HB       VAL   6  -8.227   3.392  -0.197
   57   HG11  VAL   6          HG11      VAL   6  -6.379   2.323   0.949
   58   HG12  VAL   6          HG12      VAL   6  -6.583   0.875  -0.035
   59   HG13  VAL   6          HG13      VAL   6  -7.845   1.354   1.099
   60   HG21  VAL   6          HG21      VAL   6  -5.970   3.624  -1.106
   61   HG22  VAL   6          HG22      VAL   6  -7.225   3.751  -2.338
   62   HG23  VAL   6          HG23      VAL   6  -6.287   2.267  -2.188
   63    H    LYS   7           HN       LYS   7  -7.556   0.945  -3.439
   64    HA   LYS   7           HA       LYS   7  -7.689  -1.872  -2.616
   65    HB2  LYS   7           HB2      LYS   7  -6.904  -0.804  -5.333
   66    HB3  LYS   7           HB1      LYS   7  -7.319  -2.457  -4.902
   67    HG2  LYS   7           HG2      LYS   7  -9.237  -0.150  -4.818
   68    HG3  LYS   7           HG1      LYS   7  -9.096  -1.305  -6.144
   69    HD2  LYS   7           HD2      LYS   7  -9.649  -3.131  -4.596
   70    HD3  LYS   7           HD1      LYS   7  -9.817  -1.957  -3.288
   71    HE2  LYS   7           HE2      LYS   7 -11.627  -0.864  -4.475
   72    HE3  LYS   7           HE1      LYS   7 -11.429  -1.976  -5.826
   73    HZ1  LYS   7           HZ1      LYS   7 -13.266  -2.611  -4.381
   74    HZ2  LYS   7           HZ2      LYS   7 -12.206  -2.757  -3.072
   75    HZ3  LYS   7           HZ3      LYS   7 -12.061  -3.798  -4.395
   76    H    CYS   8           HN       CYS   8  -5.784  -3.161  -2.807
   77    HA   CYS   8           HA       CYS   8  -3.494  -2.005  -1.697
   78    HB2  CYS   8           HB2      CYS   8  -4.104  -4.428  -1.607
   79    HB3  CYS   8           HB1      CYS   8  -3.648  -4.566  -3.296
   80    H    GLY   9           HN       GLY   9  -2.182  -0.585  -2.649
   81    HA2  GLY   9           HA2      GLY   9  -2.145  -0.230  -5.485
   82    HA3  GLY   9           HA1      GLY   9  -1.156   0.627  -4.313
   83    H    ILE  10           HN       ILE  10  -0.745  -2.612  -3.763
   84    HA   ILE  10           HA       ILE  10   1.816  -2.489  -5.179
   85    HB   ILE  10           HB       ILE  10   1.049  -4.241  -2.842
   86   HG12  ILE  10          HG12      ILE  10   2.461  -1.577  -3.010
   87   HG13  ILE  10          HG11      ILE  10   1.017  -1.980  -2.092
   88   HG21  ILE  10          HG21      ILE  10   3.743  -3.650  -4.066
   89   HG22  ILE  10          HG22      ILE  10   2.846  -5.157  -4.243
   90   HG23  ILE  10          HG23      ILE  10   3.444  -4.668  -2.658
   91   HD11  ILE  10          HD11      ILE  10   3.743  -3.090  -1.531
   92   HD12  ILE  10          HD12      ILE  10   2.295  -3.283  -0.552
   93   HD13  ILE  10          HD13      ILE  10   3.043  -1.696  -0.716
   94    H    CYS  11           HN       CYS  11  -0.972  -4.606  -4.595
   95    HA   CYS  11           HA       CYS  11   0.049  -6.304  -6.775
   96    HB2  CYS  11           HB2      CYS  11  -0.956  -8.244  -5.766
   97    HB3  CYS  11           HB1      CYS  11   0.053  -7.438  -4.571
   98    H    ARG  12           HN       ARG  12  -2.465  -4.355  -5.639
   99    HA   ARG  12           HA       ARG  12  -4.514  -3.787  -6.359
  100    HB2  ARG  12           HB2      ARG  12  -3.223  -4.670  -8.932
  101    HB3  ARG  12           HB1      ARG  12  -4.852  -4.007  -8.889
  102    HG2  ARG  12           HG2      ARG  12  -3.437  -2.207  -9.422
  103    HG3  ARG  12           HG1      ARG  12  -3.873  -1.996  -7.727
  104    HD2  ARG  12           HD2      ARG  12  -1.530  -1.518  -8.024
  105    HD3  ARG  12           HD1      ARG  12  -1.720  -2.987  -7.070
  106    HE   ARG  12           HE       ARG  12  -1.429  -3.948  -9.570
  107   HH11  ARG  12          HH11      ARG  12   0.439  -1.633  -7.702
  108   HH12  ARG  12          HH12      ARG  12   1.936  -2.023  -8.488
  109   HH21  ARG  12          HH21      ARG  12   0.544  -4.450 -10.603
  110   HH22  ARG  12          HH22      ARG  12   1.994  -3.622 -10.132
  111    H    GLY  13           HN       GLY  13  -4.282  -6.328  -5.188
  112    HA2  GLY  13           HA2      GLY  13  -6.080  -8.047  -6.722
  113    HA3  GLY  13           HA1      GLY  13  -5.215  -8.493  -5.258
  114    H    VAL  14           HN       VAL  14  -5.906  -6.983  -3.321
  115    HA   VAL  14           HA       VAL  14  -8.837  -6.802  -3.364
  116    HB   VAL  14           HB       VAL  14  -8.925  -7.606  -1.051
  117   HG11  VAL  14          HG11      VAL  14  -8.404  -9.952  -1.464
  118   HG12  VAL  14          HG12      VAL  14  -7.444  -9.497  -2.869
  119   HG13  VAL  14          HG13      VAL  14  -9.187  -9.221  -2.865
  120   HG21  VAL  14          HG21      VAL  14  -5.967  -8.088  -1.365
  121   HG22  VAL  14          HG22      VAL  14  -6.958  -8.620  -0.006
  122   HG23  VAL  14          HG23      VAL  14  -6.724  -6.898  -0.306
  123    H    ASP  15           HN       ASP  15  -9.452  -5.744  -1.073
  124    HA   ASP  15           HA       ASP  15  -8.898  -3.033  -1.238
  125    HB2  ASP  15           HB2      ASP  15 -10.868  -3.973  -0.133
  126    HB3  ASP  15           HB1      ASP  15  -9.856  -4.688   1.112
  127    H    GLY  16           HN       GLY  16  -7.401  -1.702  -0.373
  128    HA2  GLY  16           HA2      GLY  16  -5.089  -2.903   0.927
  129    HA3  GLY  16           HA1      GLY  16  -5.222  -1.247   0.351
  130    H    LYS  17           HN       LYS  17  -6.355  -3.448   2.868
  131    HA   LYS  17           HA       LYS  17  -7.497  -1.424   4.485
  132    HB2  LYS  17           HB2      LYS  17  -7.331  -3.255   6.284
  133    HB3  LYS  17           HB1      LYS  17  -8.349  -3.546   4.882
  134    HG2  LYS  17           HG2      LYS  17  -6.835  -5.054   3.948
  135    HG3  LYS  17           HG1      LYS  17  -5.515  -4.505   4.977
  136    HD2  LYS  17           HD2      LYS  17  -6.484  -5.507   6.898
  137    HD3  LYS  17           HD1      LYS  17  -7.994  -5.840   6.044
  138    HE2  LYS  17           HE2      LYS  17  -6.742  -7.372   4.547
  139    HE3  LYS  17           HE1      LYS  17  -5.300  -7.087   5.517
  140    HZ1  LYS  17           HZ1      LYS  17  -6.381  -9.121   6.181
  141    HZ2  LYS  17           HZ2      LYS  17  -7.832  -8.307   6.471
  142    HZ3  LYS  17           HZ3      LYS  17  -6.481  -7.995   7.439
  143    H    TYR  18           HN       TYR  18  -4.259  -2.719   4.268
  144    HA   TYR  18           HA       TYR  18  -3.502  -1.362   6.744
  145    HB2  TYR  18           HB2      TYR  18  -2.287  -3.513   5.077
  146    HB3  TYR  18           HB1      TYR  18  -1.214  -2.495   6.019
  147    HD1  TYR  18           HD1      TYR  18  -4.287  -4.558   6.405
  148    HD2  TYR  18           HD2      TYR  18  -0.747  -3.059   8.208
  149    HE1  TYR  18           HE1      TYR  18  -4.723  -5.939   8.388
  150    HE2  TYR  18           HE2      TYR  18  -1.168  -4.437  10.199
  151    HH   TYR  18           HH       TYR  18  -3.084  -5.512  11.322
  152    H    LYS  19           HN       LYS  19  -1.681   0.103   6.772
  153    HA   LYS  19           HA       LYS  19  -1.215   1.424   4.189
  154    HB2  LYS  19           HB2      LYS  19  -3.096   2.425   5.680
  155    HB3  LYS  19           HB1      LYS  19  -1.779   3.009   6.679
  156    HG2  LYS  19           HG2      LYS  19  -1.866   3.629   3.756
  157    HG3  LYS  19           HG1      LYS  19  -2.806   4.559   4.907
  158    HD2  LYS  19           HD2      LYS  19  -0.505   4.736   6.158
  159    HD3  LYS  19           HD1      LYS  19   0.138   4.406   4.548
  160    HE2  LYS  19           HE2      LYS  19  -1.637   6.684   5.396
  161    HE3  LYS  19           HE1      LYS  19   0.022   6.776   4.813
  162    HZ1  LYS  19           HZ1      LYS  19  -1.472   7.423   3.077
  163    HZ2  LYS  19           HZ2      LYS  19  -2.373   6.004   3.234
  164    HZ3  LYS  19           HZ3      LYS  19  -0.788   5.939   2.648
  165    H    CYS  20           HN       CYS  20   0.722   2.508   3.976
  166    HA   CYS  20           HA       CYS  20   2.743   1.870   6.015
  167    HB2  CYS  20           HB2      CYS  20   3.133   1.132   3.653
  168    HB3  CYS  20           HB1      CYS  20   3.191   2.824   3.182
  169    HA   PRO  21           HA       PRO  21   2.250   6.239   7.054
  170    HB2  PRO  21           HB2      PRO  21   3.911   6.165   9.214
  171    HB3  PRO  21           HB1      PRO  21   2.228   5.630   9.263
  172    HG2  PRO  21           HG2      PRO  21   4.724   4.001   8.974
  173    HG3  PRO  21           HG1      PRO  21   3.295   3.692   9.979
  174    HD2  PRO  21           HD2      PRO  21   3.673   2.439   7.625
  175    HD3  PRO  21           HD1      PRO  21   2.054   2.893   8.195
  176    H    LYS  22           HN       LYS  22   5.012   4.515   6.077
  177    HA   LYS  22           HA       LYS  22   6.880   6.688   6.398
  178    HB2  LYS  22           HB2      LYS  22   7.258   4.101   4.891
  179    HB3  LYS  22           HB1      LYS  22   8.514   5.188   5.462
  180    HG2  LYS  22           HG2      LYS  22   6.637   3.626   7.221
  181    HG3  LYS  22           HG1      LYS  22   8.303   3.184   6.853
  182    HD2  LYS  22           HD2      LYS  22   9.088   5.247   7.904
  183    HD3  LYS  22           HD1      LYS  22   7.420   5.708   8.254
  184    HE2  LYS  22           HE2      LYS  22   7.169   3.713   9.650
  185    HE3  LYS  22           HE1      LYS  22   8.836   3.260   9.301
  186    HZ1  LYS  22           HZ1      LYS  22   7.965   5.714  10.729
  187    HZ2  LYS  22           HZ2      LYS  22   9.566   5.303  10.377
  188    HZ3  LYS  22           HZ3      LYS  22   8.663   4.346  11.438
  189    H    CYS  23           HN       CYS  23   5.598   4.912   3.565
  190    HA   CYS  23           HA       CYS  23   6.462   7.156   1.892
  191    HB2  CYS  23           HB2      CYS  23   6.203   5.621  -0.012
  192    HB3  CYS  23           HB1      CYS  23   7.271   4.948   1.208
  193    H    GLY  24           HN       GLY  24   3.658   5.391   2.963
  194    HA2  GLY  24           HA2      GLY  24   1.585   6.610   3.149
  195    HA3  GLY  24           HA1      GLY  24   1.991   7.425   1.646
  196    H    VAL  25           HN       VAL  25   2.778   4.154   1.506
  197    HA   VAL  25           HA       VAL  25   0.824   3.812  -0.564
  198    HB   VAL  25           HB       VAL  25   3.241   2.931  -0.532
  199   HG11  VAL  25          HG11      VAL  25   1.884   0.758   1.054
  200   HG12  VAL  25          HG12      VAL  25   3.271   1.744   1.533
  201   HG13  VAL  25          HG13      VAL  25   3.433   0.572   0.229
  202   HG21  VAL  25          HG21      VAL  25   0.994   1.131  -1.418
  203   HG22  VAL  25          HG22      VAL  25   2.659   1.063  -1.995
  204   HG23  VAL  25          HG23      VAL  25   1.669   2.485  -2.325
  205    H    ARG  26           HN       ARG  26  -0.624   2.025  -0.730
  206    HA   ARG  26           HA       ARG  26  -1.670   1.083   1.855
  207    HB2  ARG  26           HB2      ARG  26  -3.025   1.910  -0.689
  208    HB3  ARG  26           HB1      ARG  26  -3.801   0.739   0.364
  209    HG2  ARG  26           HG2      ARG  26  -2.867   3.411   1.357
  210    HG3  ARG  26           HG1      ARG  26  -4.468   3.165   0.654
  211    HD2  ARG  26           HD2      ARG  26  -4.869   1.384   2.337
  212    HD3  ARG  26           HD1      ARG  26  -3.318   1.778   3.072
  213    HE   ARG  26           HE       ARG  26  -4.514   4.148   3.156
  214   HH11  ARG  26          HH11      ARG  26  -5.806   0.978   3.898
  215   HH12  ARG  26          HH12      ARG  26  -6.843   1.562   5.165
  216   HH21  ARG  26          HH21      ARG  26  -5.881   4.912   4.819
  217   HH22  ARG  26          HH22      ARG  26  -6.884   3.794   5.686
  218    H    TYR  27           HN       TYR  27  -1.525  -1.035   2.194
  219    HA   TYR  27           HA       TYR  27  -1.401  -2.796  -0.155
  220    HB2  TYR  27           HB2      TYR  27  -0.098  -4.284   1.706
  221    HB3  TYR  27           HB1      TYR  27   0.690  -3.312   0.478
  222    HD1  TYR  27           HD1      TYR  27  -0.837  -2.694   3.822
  223    HD2  TYR  27           HD2      TYR  27   2.499  -2.141   1.256
  224    HE1  TYR  27           HE1      TYR  27   0.308  -1.405   5.581
  225    HE2  TYR  27           HE2      TYR  27   3.653  -0.874   3.013
  226    HH   TYR  27           HH       TYR  27   2.467  -0.764   6.248
  227    H    CYS  28           HN       CYS  28  -2.200  -4.874   0.114
  228    HA   CYS  28           HA       CYS  28  -4.651  -4.960   1.514
  229    HB2  CYS  28           HB2      CYS  28  -4.825  -7.242   0.586
  230    HB3  CYS  28           HB1      CYS  28  -4.374  -6.067  -0.640
  231    H    SER  29           HN       SER  29  -1.438  -6.171   2.168
  232    HA   SER  29           HA       SER  29  -2.027  -6.826   4.860
  233    HB2  SER  29           HB2      SER  29  -1.662  -9.152   2.944
  234    HB3  SER  29           HB1      SER  29  -1.550  -9.289   4.697
  235    HG   SER  29           HG       SER  29  -3.845  -8.064   3.776
  236    H    LEU  30           HN       LEU  30  -0.046  -8.481   5.574
  237    HA   LEU  30           HA       LEU  30   2.260  -6.895   5.342
  238    HB2  LEU  30           HB2      LEU  30   1.690  -9.591   6.482
  239    HB3  LEU  30           HB1      LEU  30   3.352  -9.049   6.337
  240    HG   LEU  30           HG       LEU  30   1.214  -7.512   7.812
  241   HD11  LEU  30          HD11      LEU  30   2.320  -8.339   9.850
  242   HD12  LEU  30          HD12      LEU  30   3.310  -9.405   8.858
  243   HD13  LEU  30          HD13      LEU  30   1.565  -9.631   8.922
  244   HD21  LEU  30          HD21      LEU  30   3.117  -6.193   6.976
  245   HD22  LEU  30          HD22      LEU  30   4.222  -7.277   7.817
  246   HD23  LEU  30          HD23      LEU  30   3.090  -6.285   8.736
  247    H    LYS  31           HN       LYS  31   1.122  -9.552   3.429
  248    HA   LYS  31           HA       LYS  31   3.482 -10.488   2.315
  249    HB2  LYS  31           HB2      LYS  31   0.765 -10.173   1.034
  250    HB3  LYS  31           HB1      LYS  31   2.090 -11.083   0.323
  251    HG2  LYS  31           HG2      LYS  31   0.768 -11.672   2.957
  252    HG3  LYS  31           HG1      LYS  31   0.506 -12.545   1.446
  253    HD2  LYS  31           HD2      LYS  31   2.894 -13.155   1.417
  254    HD3  LYS  31           HD1      LYS  31   3.107 -12.336   2.964
  255    HE2  LYS  31           HE2      LYS  31   1.537 -13.873   4.010
  256    HE3  LYS  31           HE1      LYS  31   1.271 -14.673   2.462
  257    HZ1  LYS  31           HZ1      LYS  31   2.828 -15.923   3.771
  258    HZ2  LYS  31           HZ2      LYS  31   3.826 -14.574   3.970
  259    HZ3  LYS  31           HZ3      LYS  31   3.633 -15.264   2.438
  260    H    CYS  32           HN       CYS  32   1.536  -7.705   1.380
  261    HA   CYS  32           HA       CYS  32   3.477  -6.991  -0.662
  262    HB2  CYS  32           HB2      CYS  32   0.854  -5.734   0.150
  263    HB3  CYS  32           HB1      CYS  32   1.893  -5.104  -1.124
  264    H    TYR  33           HN       TYR  33   2.650  -6.193   2.586
  265    HA   TYR  33           HA       TYR  33   3.854  -3.667   2.799
  266    HB2  TYR  33           HB2      TYR  33   2.417  -4.861   4.547
  267    HB3  TYR  33           HB1      TYR  33   3.853  -5.780   4.972
  268    HD1  TYR  33           HD1      TYR  33   5.406  -2.920   4.258
  269    HD2  TYR  33           HD2      TYR  33   2.507  -4.302   7.042
  270    HE1  TYR  33           HE1      TYR  33   6.041  -1.114   5.809
  271    HE2  TYR  33           HE2      TYR  33   3.151  -2.524   8.610
  272    HH   TYR  33           HH       TYR  33   5.301   0.053   7.679
  273    H    LYS  34           HN       LYS  34   5.192  -6.853   3.724
  274    HA   LYS  34           HA       LYS  34   7.866  -5.743   3.696
  275    HB2  LYS  34           HB2      LYS  34   6.820  -8.478   4.416
  276    HB3  LYS  34           HB1      LYS  34   8.527  -8.050   4.441
  277    HG2  LYS  34           HG2      LYS  34   7.943  -6.214   6.040
  278    HG3  LYS  34           HG1      LYS  34   6.321  -6.899   6.126
  279    HD2  LYS  34           HD2      LYS  34   7.149  -8.948   7.025
  280    HD3  LYS  34           HD1      LYS  34   8.819  -8.480   6.712
  281    HE2  LYS  34           HE2      LYS  34   8.275  -8.248   9.077
  282    HE3  LYS  34           HE1      LYS  34   8.634  -6.683   8.352
  283    HZ1  LYS  34           HZ1      LYS  34   5.895  -7.731   8.808
  284    HZ2  LYS  34           HZ2      LYS  34   6.307  -6.180   8.267
  285    HZ3  LYS  34           HZ3      LYS  34   6.693  -6.657   9.840
  286    H    ASP  35           HN       ASP  35   6.959  -5.519   1.228
  287    HA   ASP  35           HA       ASP  35   8.496  -7.547  -0.251
  288    HB2  ASP  35           HB2      ASP  35   6.104  -7.507  -0.888
  289    HB3  ASP  35           HB1      ASP  35   6.232  -5.793  -1.255
  290    H    ALA  36           HN       ALA  36  10.089  -6.759  -1.643
  291    HA   ALA  36           HA       ALA  36  10.563  -3.858  -1.452
  292    HB1  ALA  36           HB1      ALA  36  12.954  -4.308  -1.525
  293    HB2  ALA  36           HB2      ALA  36  12.639  -6.040  -1.638
  294    HB3  ALA  36           HB3      ALA  36  12.204  -5.157  -0.174
  295    H    ALA  37           HN       ALA  37   9.345  -5.883  -3.514
  296    HA   ALA  37           HA       ALA  37  10.978  -5.166  -5.834
  297    HB1  ALA  37           HB1      ALA  37   9.538  -6.766  -7.048
  298    HB2  ALA  37           HB2      ALA  37   8.645  -7.059  -5.553
  299    HB3  ALA  37           HB3      ALA  37  10.349  -7.498  -5.664
  300    H    LYS  38           HN       LYS  38   7.662  -4.935  -4.614
  301    HA   LYS  38           HA       LYS  38   7.136  -2.876  -6.657
  302    HB2  LYS  38           HB2      LYS  38   5.215  -4.609  -5.108
  303    HB3  LYS  38           HB1      LYS  38   4.732  -3.327  -6.210
  304    HG2  LYS  38           HG2      LYS  38   5.804  -4.506  -8.058
  305    HG3  LYS  38           HG1      LYS  38   6.298  -5.789  -6.951
  306    HD2  LYS  38           HD2      LYS  38   3.940  -6.230  -6.442
  307    HD3  LYS  38           HD1      LYS  38   3.465  -4.979  -7.587
  308    HE2  LYS  38           HE2      LYS  38   3.276  -7.183  -8.594
  309    HE3  LYS  38           HE1      LYS  38   4.526  -6.236  -9.398
  310    HZ1  LYS  38           HZ1      LYS  38   5.051  -8.261  -7.295
  311    HZ2  LYS  38           HZ2      LYS  38   6.205  -7.437  -8.214
  312    HZ3  LYS  38           HZ3      LYS  38   5.180  -8.554  -8.953
  313    H    HIS  39           HN       HIS  39   7.203  -3.548  -3.245
  314    HA   HIS  39           HA       HIS  39   6.142  -0.919  -2.583
  315    HB2  HIS  39           HB2      HIS  39   5.558  -2.862  -1.163
  316    HB3  HIS  39           HB1      HIS  39   7.257  -3.081  -0.778
  317    HD1  HIS  39           HD1      HIS  39   6.785  -2.694   1.771
  318    HD2  HIS  39           HD2      HIS  39   5.800   0.515  -0.688
  319    HE1  HIS  39           HE1      HIS  39   6.436  -0.706   3.292
  320    H    VAL  40           HN       VAL  40   7.544   0.642  -3.135
  321    HA   VAL  40           HA       VAL  40  10.392   0.112  -2.896
  322    HB   VAL  40           HB       VAL  40   9.026   2.451  -4.221
  323   HG11  VAL  40          HG11      VAL  40  11.180   2.769  -5.345
  324   HG12  VAL  40          HG12      VAL  40  11.862   1.440  -4.408
  325   HG13  VAL  40          HG13      VAL  40  11.335   2.913  -3.593
  326   HG21  VAL  40          HG21      VAL  40  10.080  -0.108  -5.423
  327   HG22  VAL  40          HG22      VAL  40   9.475   1.277  -6.331
  328   HG23  VAL  40          HG23      VAL  40   8.385   0.360  -5.291
  329    H    HIS  41           HN       HIS  41  11.441   0.674  -1.222
  330    HA   HIS  41           HA       HIS  41  10.875   3.271   0.022
  331    HB2  HIS  41           HB2      HIS  41  11.361   0.619   1.264
  332    HB3  HIS  41           HB1      HIS  41  12.129   2.004   2.032
  333    HD1  HIS  41           HD1      HIS  41  10.141   0.775   3.794
  334    HD2  HIS  41           HD2      HIS  41   9.002   3.466   0.839
  335    HE1  HIS  41           HE1      HIS  41   7.986   1.839   4.587
  336    H    LYS  42           HN       LYS  42  13.527   0.912   0.341
  337    HA   LYS  42           HA       LYS  42  15.319   2.503  -1.227
  338    HB2  LYS  42           HB2      LYS  42  16.873   3.121   0.536
  339    HB3  LYS  42           HB1      LYS  42  15.293   3.824   0.849
  340    HG2  LYS  42           HG2      LYS  42  14.844   2.020   2.469
  341    HG3  LYS  42           HG1      LYS  42  16.474   1.401   2.194
  342    HD2  LYS  42           HD2      LYS  42  17.356   3.630   2.886
  343    HD3  LYS  42           HD1      LYS  42  15.710   4.091   3.320
  344    HE2  LYS  42           HE2      LYS  42  16.881   3.371   5.297
  345    HE3  LYS  42           HE1      LYS  42  15.635   2.190   4.897
  346    HZ1  LYS  42           HZ1      LYS  42  18.513   1.920   4.223
  347    HZ2  LYS  42           HZ2      LYS  42  17.311   0.772   3.925
  348    HZ3  LYS  42           HZ3      LYS  42  17.742   1.150   5.512
  349    H    GLU  43           HN       GLU  43  14.303  -0.290  -0.779
  350    HA   GLU  43           HA       GLU  43  16.932  -1.605  -0.694
  351    HB2  GLU  43           HB2      GLU  43  14.335  -2.701   0.400
  352    HB3  GLU  43           HB1      GLU  43  15.850  -3.585   0.310
  353    HG2  GLU  43           HG2      GLU  43  16.875  -2.020   1.859
  354    HG3  GLU  43           HG1      GLU  43  15.375  -1.095   1.931
  355    H    SER  44           HN       SER  44  17.382  -2.779  -2.430
  356    HA   SER  44           HA       SER  44  17.216  -3.827  -4.430
  357    HB2  SER  44           HB2      SER  44  15.861  -5.423  -3.088
  358    HB3  SER  44           HB1      SER  44  14.411  -4.514  -3.509
  359    HG   SER  44           HG       SER  44  14.868  -5.001  -5.718
  360    H    GLU  45           HN       GLU  45  16.587  -1.039  -4.293
  361    HA   GLU  45           HA       GLU  45  14.348  -0.672  -6.115
  362    HB2  GLU  45           HB2      GLU  45  15.147   1.830  -5.770
  363    HB3  GLU  45           HB1      GLU  45  14.155   1.001  -4.582
  364    HG2  GLU  45           HG2      GLU  45  15.930   2.227  -3.499
  365    HG3  GLU  45           HG1      GLU  45  16.147   0.495  -3.264
  366    H    GLN  46           HN       GLN  46  16.663  -2.018  -7.075
  367    HA   GLN  46           HA       GLN  46  17.298  -0.226  -9.309
  368    HB2  GLN  46           HB2      GLN  46  19.211  -2.096  -7.897
  369    HB3  GLN  46           HB1      GLN  46  19.545  -1.340  -9.447
  370    HG2  GLN  46           HG2      GLN  46  19.382   0.865  -8.399
  371    HG3  GLN  46           HG1      GLN  46  19.066   0.094  -6.845
  372   HE21  GLN  46          HE21      GLN  46  20.735  -0.968  -5.784
  373   HE22  GLN  46          HE22      GLN  46  22.393  -0.739  -6.217
  Start of MODEL   16
    1    H1   GLY  -2           HT1      GLY  -2 -15.353  -2.397 -13.525
    2    H2   GLY  -2           HT2      GLY  -2 -13.791  -2.902 -13.129
    3    H3   GLY  -2           HT3      GLY  -2 -14.323  -2.977 -14.734
    4    HA2  GLY  -2           HA1      GLY  -2 -12.840  -1.104 -14.420
    5    HA3  GLY  -2           HA2      GLY  -2 -14.464  -0.583 -14.850
    6    HA   PRO  -1           HA       PRO  -1 -12.818   1.487 -10.866
    7    HB2  PRO  -1           HB2      PRO  -1 -13.370   3.919 -12.462
    8    HB3  PRO  -1           HB1      PRO  -1 -11.982   3.538 -11.437
    9    HG2  PRO  -1           HG2      PRO  -1 -11.767   3.526 -14.097
   10    HG3  PRO  -1           HG1      PRO  -1 -10.919   2.330 -13.103
   11    HD2  PRO  -1           HD2      PRO  -1 -13.425   2.024 -14.709
   12    HD3  PRO  -1           HD1      PRO  -1 -12.067   0.897 -14.513
   13    H    HIS   0           HN       HIS   0 -14.384   1.578  -9.406
   14    HA   HIS   0           HA       HIS   0 -17.107   2.171 -10.255
   15    HB2  HIS   0           HB2      HIS   0 -16.052   1.191  -7.593
   16    HB3  HIS   0           HB1      HIS   0 -17.749   1.349  -8.024
   17    HD1  HIS   0           HD1      HIS   0 -15.590  -1.236  -7.490
   18    HD2  HIS   0           HD2      HIS   0 -17.922  -0.242 -10.782
   19    HE1  HIS   0           HE1      HIS   0 -15.877  -3.370  -8.781
   20    HE2  HIS   0           HE2      HIS   0 -17.171  -2.718 -10.837
   21    H    MET   1           HN       MET   1 -18.156   4.003  -9.779
   22    HA   MET   1           HA       MET   1 -16.676   6.099  -8.433
   23    HB2  MET   1           HB2      MET   1 -19.320   6.106  -9.886
   24    HB3  MET   1           HB1      MET   1 -18.632   7.527  -9.116
   25    HG2  MET   1           HG2      MET   1 -17.019   6.034 -11.122
   26    HG3  MET   1           HG1      MET   1 -18.317   7.089 -11.667
   27    HE1  MET   1           HE1      MET   1 -14.508   8.474  -9.447
   28    HE2  MET   1           HE2      MET   1 -14.973   6.797  -9.741
   29    HE3  MET   1           HE3      MET   1 -15.817   7.749  -8.519
   30    H    VAL   2           HN       VAL   2 -17.724   7.462  -6.813
   31    HA   VAL   2           HA       VAL   2 -18.509   7.685  -4.702
   32    HB   VAL   2           HB       VAL   2 -20.674   5.729  -5.505
   33   HG11  VAL   2          HG11      VAL   2 -20.637   7.929  -3.438
   34   HG12  VAL   2          HG12      VAL   2 -20.581   6.197  -3.109
   35   HG13  VAL   2          HG13      VAL   2 -22.021   6.910  -3.834
   36   HG21  VAL   2          HG21      VAL   2 -20.538   7.515  -7.152
   37   HG22  VAL   2          HG22      VAL   2 -20.583   8.724  -5.870
   38   HG23  VAL   2          HG23      VAL   2 -21.986   7.699  -6.163
   39    H    SER   3           HN       SER   3 -16.423   6.341  -4.554
   40    HA   SER   3           HA       SER   3 -16.991   3.941  -2.950
   41    HB2  SER   3           HB2      SER   3 -14.579   4.395  -4.727
   42    HB3  SER   3           HB1      SER   3 -14.939   2.940  -3.799
   43    HG   SER   3           HG       SER   3 -15.874   3.730  -6.242
   44    H    SER   4           HN       SER   4 -16.040   3.877  -0.971
   45    HA   SER   4           HA       SER   4 -14.129   6.030  -0.344
   46    HB2  SER   4           HB2      SER   4 -16.185   4.757   1.477
   47    HB3  SER   4           HB1      SER   4 -15.027   6.002   1.951
   48    HG   SER   4           HG       SER   4 -16.005   7.409   0.475
   49    H    ALA   5           HN       ALA   5 -13.987   3.033  -1.140
   50    HA   ALA   5           HA       ALA   5 -12.184   2.230   1.042
   51    HB1  ALA   5           HB1      ALA   5 -13.695   0.463  -0.881
   52    HB2  ALA   5           HB2      ALA   5 -14.085   0.713   0.821
   53    HB3  ALA   5           HB3      ALA   5 -12.580  -0.089   0.369
   54    H    VAL   6           HN       VAL   6 -10.244   1.365   0.572
   55    HA   VAL   6           HA       VAL   6  -9.240   2.204  -2.047
   56    HB   VAL   6           HB       VAL   6  -8.480   3.371   0.099
   57   HG11  VAL   6          HG11      VAL   6  -6.641   2.320   1.316
   58   HG12  VAL   6          HG12      VAL   6  -6.874   0.839   0.386
   59   HG13  VAL   6          HG13      VAL   6  -8.139   1.403   1.478
   60   HG21  VAL   6          HG21      VAL   6  -6.211   3.619  -0.741
   61   HG22  VAL   6          HG22      VAL   6  -7.411   3.659  -2.030
   62   HG23  VAL   6          HG23      VAL   6  -6.445   2.208  -1.772
   63    H    LYS   7           HN       LYS   7  -7.695   0.900  -3.094
   64    HA   LYS   7           HA       LYS   7  -7.782  -1.916  -2.254
   65    HB2  LYS   7           HB2      LYS   7  -7.306  -0.769  -5.013
   66    HB3  LYS   7           HB1      LYS   7  -7.425  -2.475  -4.611
   67    HG2  LYS   7           HG2      LYS   7  -9.638  -0.461  -4.308
   68    HG3  LYS   7           HG1      LYS   7  -9.473  -1.625  -5.624
   69    HD2  LYS   7           HD2      LYS   7  -9.582  -3.458  -3.970
   70    HD3  LYS   7           HD1      LYS   7  -9.847  -2.261  -2.700
   71    HE2  LYS   7           HE2      LYS   7 -11.894  -1.541  -3.771
   72    HE3  LYS   7           HE1      LYS   7 -11.608  -2.657  -5.104
   73    HZ1  LYS   7           HZ1      LYS   7 -13.213  -3.505  -3.474
   74    HZ2  LYS   7           HZ2      LYS   7 -12.014  -3.477  -2.275
   75    HZ3  LYS   7           HZ3      LYS   7 -11.855  -4.501  -3.616
   76    H    CYS   8           HN       CYS   8  -5.851  -3.205  -2.803
   77    HA   CYS   8           HA       CYS   8  -3.538  -2.019  -1.700
   78    HB2  CYS   8           HB2      CYS   8  -4.102  -4.430  -1.588
   79    HB3  CYS   8           HB1      CYS   8  -3.759  -4.570  -3.302
   80    H    GLY   9           HN       GLY   9  -2.200  -0.644  -2.665
   81    HA2  GLY   9           HA2      GLY   9  -2.284  -0.224  -5.499
   82    HA3  GLY   9           HA1      GLY   9  -1.251   0.610  -4.347
   83    H    ILE  10           HN       ILE  10  -0.731  -2.565  -3.746
   84    HA   ILE  10           HA       ILE  10   1.751  -2.412  -5.280
   85    HB   ILE  10           HB       ILE  10   1.093  -4.224  -2.955
   86   HG12  ILE  10          HG12      ILE  10   2.425  -1.519  -3.098
   87   HG13  ILE  10          HG11      ILE  10   1.034  -1.992  -2.132
   88   HG21  ILE  10          HG21      ILE  10   2.866  -5.089  -4.393
   89   HG22  ILE  10          HG22      ILE  10   3.518  -4.564  -2.840
   90   HG23  ILE  10          HG23      ILE  10   3.725  -3.552  -4.270
   91   HD11  ILE  10          HD11      ILE  10   3.107  -1.682  -0.833
   92   HD12  ILE  10          HD12      ILE  10   3.813  -3.036  -1.715
   93   HD13  ILE  10          HD13      ILE  10   2.410  -3.295  -0.683
   94    H    CYS  11           HN       CYS  11  -0.970  -4.595  -4.626
   95    HA   CYS  11           HA       CYS  11  -0.018  -6.216  -6.890
   96    HB2  CYS  11           HB2      CYS  11  -0.959  -8.184  -5.902
   97    HB3  CYS  11           HB1      CYS  11   0.035  -7.385  -4.691
   98    H    ARG  12           HN       ARG  12  -2.494  -4.277  -5.670
   99    HA   ARG  12           HA       ARG  12  -4.466  -3.547  -6.474
  100    HB2  ARG  12           HB2      ARG  12  -3.466  -4.791  -9.040
  101    HB3  ARG  12           HB1      ARG  12  -4.861  -3.729  -8.921
  102    HG2  ARG  12           HG2      ARG  12  -2.040  -2.971  -8.188
  103    HG3  ARG  12           HG1      ARG  12  -2.843  -2.569  -9.706
  104    HD2  ARG  12           HD2      ARG  12  -4.510  -1.274  -8.513
  105    HD3  ARG  12           HD1      ARG  12  -3.793  -1.731  -6.970
  106    HE   ARG  12           HE       ARG  12  -1.760  -0.541  -8.371
  107   HH11  ARG  12          HH11      ARG  12  -4.967   0.408  -7.338
  108   HH12  ARG  12          HH12      ARG  12  -4.559   2.086  -7.178
  109   HH21  ARG  12          HH21      ARG  12  -1.216   1.676  -8.146
  110   HH22  ARG  12          HH22      ARG  12  -2.436   2.808  -7.650
  111    H    GLY  13           HN       GLY  13  -4.359  -6.131  -5.203
  112    HA2  GLY  13           HA2      GLY  13  -6.343  -7.719  -6.624
  113    HA3  GLY  13           HA1      GLY  13  -5.507  -8.173  -5.148
  114    H    VAL  14           HN       VAL  14  -6.178  -7.140  -3.149
  115    HA   VAL  14           HA       VAL  14  -9.066  -6.593  -3.242
  116    HB   VAL  14           HB       VAL  14  -9.257  -7.500  -1.015
  117   HG11  VAL  14          HG11      VAL  14  -7.630  -9.305  -2.793
  118   HG12  VAL  14          HG12      VAL  14  -9.382  -9.097  -2.826
  119   HG13  VAL  14          HG13      VAL  14  -8.607  -9.833  -1.424
  120   HG21  VAL  14          HG21      VAL  14  -7.198  -6.788  -0.019
  121   HG22  VAL  14          HG22      VAL  14  -6.265  -7.802  -1.115
  122   HG23  VAL  14          HG23      VAL  14  -7.297  -8.545   0.106
  123    H    ASP  15           HN       ASP  15  -9.465  -5.650  -0.720
  124    HA   ASP  15           HA       ASP  15  -8.861  -2.928  -0.979
  125    HB2  ASP  15           HB2      ASP  15 -10.017  -4.621   1.193
  126    HB3  ASP  15           HB1      ASP  15  -9.567  -2.958   1.554
  127    H    GLY  16           HN       GLY  16  -7.348  -1.620  -0.156
  128    HA2  GLY  16           HA2      GLY  16  -4.986  -2.801   1.043
  129    HA3  GLY  16           HA1      GLY  16  -5.205  -1.112   0.592
  130    H    LYS  17           HN       LYS  17  -6.340  -3.527   2.907
  131    HA   LYS  17           HA       LYS  17  -7.487  -1.730   4.733
  132    HB2  LYS  17           HB2      LYS  17  -7.202  -3.674   6.360
  133    HB3  LYS  17           HB1      LYS  17  -8.162  -3.963   4.916
  134    HG2  LYS  17           HG2      LYS  17  -6.456  -5.207   3.898
  135    HG3  LYS  17           HG1      LYS  17  -5.247  -4.660   5.055
  136    HD2  LYS  17           HD2      LYS  17  -5.800  -6.886   5.647
  137    HD3  LYS  17           HD1      LYS  17  -6.589  -5.841   6.830
  138    HE2  LYS  17           HE2      LYS  17  -8.691  -6.063   5.677
  139    HE3  LYS  17           HE1      LYS  17  -7.932  -7.009   4.401
  140    HZ1  LYS  17           HZ1      LYS  17  -7.433  -8.724   6.026
  141    HZ2  LYS  17           HZ2      LYS  17  -9.092  -8.417   5.979
  142    HZ3  LYS  17           HZ3      LYS  17  -8.159  -7.811   7.249
  143    H    TYR  18           HN       TYR  18  -4.194  -2.709   4.260
  144    HA   TYR  18           HA       TYR  18  -3.406  -1.379   6.754
  145    HB2  TYR  18           HB2      TYR  18  -2.035  -3.400   4.998
  146    HB3  TYR  18           HB1      TYR  18  -1.128  -2.447   6.163
  147    HD1  TYR  18           HD1      TYR  18  -4.512  -3.935   6.548
  148    HD2  TYR  18           HD2      TYR  18  -0.431  -4.047   7.722
  149    HE1  TYR  18           HE1      TYR  18  -5.063  -5.612   8.248
  150    HE2  TYR  18           HE2      TYR  18  -0.970  -5.716   9.447
  151    HH   TYR  18           HH       TYR  18  -2.902  -6.483  10.734
  152    H    LYS  19           HN       LYS  19  -1.593   0.124   6.680
  153    HA   LYS  19           HA       LYS  19  -1.193   1.370   4.059
  154    HB2  LYS  19           HB2      LYS  19  -3.134   2.415   5.353
  155    HB3  LYS  19           HB1      LYS  19  -1.937   2.979   6.502
  156    HG2  LYS  19           HG2      LYS  19  -1.715   3.657   3.596
  157    HG3  LYS  19           HG1      LYS  19  -2.762   4.576   4.665
  158    HD2  LYS  19           HD2      LYS  19  -0.583   4.688   6.144
  159    HD3  LYS  19           HD1      LYS  19   0.204   4.402   4.590
  160    HE2  LYS  19           HE2      LYS  19  -1.628   6.674   5.339
  161    HE3  LYS  19           HE1      LYS  19   0.082   6.762   4.931
  162    HZ1  LYS  19           HZ1      LYS  19  -0.547   5.952   2.670
  163    HZ2  LYS  19           HZ2      LYS  19  -1.149   7.480   3.058
  164    HZ3  LYS  19           HZ3      LYS  19  -2.172   6.137   3.107
  165    H    CYS  20           HN       CYS  20   0.736   2.456   3.828
  166    HA   CYS  20           HA       CYS  20   2.712   1.910   5.929
  167    HB2  CYS  20           HB2      CYS  20   3.115   1.114   3.568
  168    HB3  CYS  20           HB1      CYS  20   3.253   2.804   3.092
  169    HA   PRO  21           HA       PRO  21   2.143   6.286   6.819
  170    HB2  PRO  21           HB2      PRO  21   3.720   6.297   9.042
  171    HB3  PRO  21           HB1      PRO  21   2.046   5.729   9.043
  172    HG2  PRO  21           HG2      PRO  21   4.583   4.145   8.878
  173    HG3  PRO  21           HG1      PRO  21   3.130   3.832   9.847
  174    HD2  PRO  21           HD2      PRO  21   3.605   2.526   7.539
  175    HD3  PRO  21           HD1      PRO  21   1.962   2.966   8.044
  176    H    LYS  22           HN       LYS  22   4.938   4.597   5.927
  177    HA   LYS  22           HA       LYS  22   6.761   6.826   6.173
  178    HB2  LYS  22           HB2      LYS  22   7.117   4.168   4.786
  179    HB3  LYS  22           HB1      LYS  22   8.392   5.323   5.145
  180    HG2  LYS  22           HG2      LYS  22   6.698   3.995   7.238
  181    HG3  LYS  22           HG1      LYS  22   8.258   3.375   6.698
  182    HD2  LYS  22           HD2      LYS  22   7.812   6.114   7.887
  183    HD3  LYS  22           HD1      LYS  22   8.396   4.711   8.784
  184    HE2  LYS  22           HE2      LYS  22  10.324   4.567   7.264
  185    HE3  LYS  22           HE1      LYS  22   9.750   6.002   6.418
  186    HZ1  LYS  22           HZ1      LYS  22  11.466   6.548   8.010
  187    HZ2  LYS  22           HZ2      LYS  22  10.558   5.879   9.269
  188    HZ3  LYS  22           HZ3      LYS  22  10.001   7.258   8.466
  189    H    CYS  23           HN       CYS  23   5.645   4.873   3.396
  190    HA   CYS  23           HA       CYS  23   6.408   7.069   1.631
  191    HB2  CYS  23           HB2      CYS  23   6.036   5.442  -0.208
  192    HB3  CYS  23           HB1      CYS  23   7.221   4.888   0.967
  193    H    GLY  24           HN       GLY  24   3.624   5.385   2.831
  194    HA2  GLY  24           HA2      GLY  24   1.544   6.537   3.005
  195    HA3  GLY  24           HA1      GLY  24   1.937   7.403   1.526
  196    H    VAL  25           HN       VAL  25   2.725   4.115   1.410
  197    HA   VAL  25           HA       VAL  25   0.818   3.773  -0.710
  198    HB   VAL  25           HB       VAL  25   3.235   2.900  -0.654
  199   HG11  VAL  25          HG11      VAL  25   3.256   1.745   1.434
  200   HG12  VAL  25          HG12      VAL  25   3.437   0.553   0.147
  201   HG13  VAL  25          HG13      VAL  25   1.882   0.746   0.960
  202   HG21  VAL  25          HG21      VAL  25   1.690   2.411  -2.448
  203   HG22  VAL  25          HG22      VAL  25   0.992   1.088  -1.515
  204   HG23  VAL  25          HG23      VAL  25   2.662   0.988  -2.072
  205    H    ARG  26           HN       ARG  26  -0.610   1.992  -0.887
  206    HA   ARG  26           HA       ARG  26  -1.704   1.048   1.671
  207    HB2  ARG  26           HB2      ARG  26  -3.007   1.689  -0.965
  208    HB3  ARG  26           HB1      ARG  26  -3.792   0.639   0.205
  209    HG2  ARG  26           HG2      ARG  26  -2.879   3.429   0.832
  210    HG3  ARG  26           HG1      ARG  26  -4.504   3.029   0.273
  211    HD2  ARG  26           HD2      ARG  26  -4.753   1.508   2.199
  212    HD3  ARG  26           HD1      ARG  26  -3.162   2.006   2.770
  213    HE   ARG  26           HE       ARG  26  -4.378   4.356   2.630
  214   HH11  ARG  26          HH11      ARG  26  -5.565   1.299   3.861
  215   HH12  ARG  26          HH12      ARG  26  -6.572   2.031   5.069
  216   HH21  ARG  26          HH21      ARG  26  -5.699   5.323   4.234
  217   HH22  ARG  26          HH22      ARG  26  -6.644   4.318   5.286
  218    H    TYR  27           HN       TYR  27  -1.559  -1.063   2.056
  219    HA   TYR  27           HA       TYR  27  -1.402  -2.862  -0.253
  220    HB2  TYR  27           HB2      TYR  27  -0.061  -4.313   1.602
  221    HB3  TYR  27           HB1      TYR  27   0.712  -3.331   0.373
  222    HD1  TYR  27           HD1      TYR  27  -0.820  -2.716   3.720
  223    HD2  TYR  27           HD2      TYR  27   2.514  -2.149   1.155
  224    HE1  TYR  27           HE1      TYR  27   0.318  -1.420   5.481
  225    HE2  TYR  27           HE2      TYR  27   3.660  -0.875   2.914
  226    HH   TYR  27           HH       TYR  27   2.489  -0.794   6.149
  227    H    CYS  28           HN       CYS  28  -2.296  -4.833  -0.045
  228    HA   CYS  28           HA       CYS  28  -4.702  -4.933   1.385
  229    HB2  CYS  28           HB2      CYS  28  -4.885  -7.215   0.467
  230    HB3  CYS  28           HB1      CYS  28  -4.419  -6.050  -0.763
  231    H    SER  29           HN       SER  29  -1.499  -6.149   2.078
  232    HA   SER  29           HA       SER  29  -2.146  -6.849   4.745
  233    HB2  SER  29           HB2      SER  29  -1.752  -9.142   2.795
  234    HB3  SER  29           HB1      SER  29  -1.713  -9.313   4.545
  235    HG   SER  29           HG       SER  29  -3.954  -8.016   3.741
  236    H    LEU  30           HN       LEU  30  -0.185  -8.654   5.372
  237    HA   LEU  30           HA       LEU  30   2.126  -7.032   5.374
  238    HB2  LEU  30           HB2      LEU  30   1.421  -8.795   7.071
  239    HB3  LEU  30           HB1      LEU  30   2.046  -9.984   5.954
  240    HG   LEU  30           HG       LEU  30   4.281  -8.889   6.107
  241   HD11  LEU  30          HD11      LEU  30   2.957  -7.313   8.310
  242   HD12  LEU  30          HD12      LEU  30   3.575  -6.668   6.790
  243   HD13  LEU  30          HD13      LEU  30   4.686  -7.352   7.973
  244   HD21  LEU  30          HD21      LEU  30   3.759 -10.867   7.426
  245   HD22  LEU  30          HD22      LEU  30   3.085  -9.854   8.702
  246   HD23  LEU  30          HD23      LEU  30   4.807  -9.774   8.329
  247    H    LYS  31           HN       LYS  31   1.040  -9.549   3.263
  248    HA   LYS  31           HA       LYS  31   3.403 -10.515   2.213
  249    HB2  LYS  31           HB2      LYS  31   0.801 -10.086   0.748
  250    HB3  LYS  31           HB1      LYS  31   2.111 -11.143   0.228
  251    HG2  LYS  31           HG2      LYS  31   0.964 -12.731   1.300
  252    HG3  LYS  31           HG1      LYS  31   1.692 -12.012   2.740
  253    HD2  LYS  31           HD2      LYS  31  -0.268 -10.595   3.023
  254    HD3  LYS  31           HD1      LYS  31  -1.017 -11.353   1.617
  255    HE2  LYS  31           HE2      LYS  31  -0.159 -12.780   4.128
  256    HE3  LYS  31           HE1      LYS  31  -1.814 -12.304   3.749
  257    HZ1  LYS  31           HZ1      LYS  31  -1.487 -14.605   3.203
  258    HZ2  LYS  31           HZ2      LYS  31  -0.146 -14.244   2.241
  259    HZ3  LYS  31           HZ3      LYS  31  -1.688 -13.734   1.766
  260    H    CYS  32           HN       CYS  32   1.476  -7.788   1.185
  261    HA   CYS  32           HA       CYS  32   3.454  -6.973  -0.769
  262    HB2  CYS  32           HB2      CYS  32   0.817  -5.741   0.048
  263    HB3  CYS  32           HB1      CYS  32   1.848  -5.130  -1.242
  264    H    TYR  33           HN       TYR  33   2.561  -6.254   2.481
  265    HA   TYR  33           HA       TYR  33   3.717  -3.721   2.784
  266    HB2  TYR  33           HB2      TYR  33   2.280  -4.982   4.465
  267    HB3  TYR  33           HB1      TYR  33   3.719  -5.906   4.874
  268    HD1  TYR  33           HD1      TYR  33   5.225  -2.977   4.269
  269    HD2  TYR  33           HD2      TYR  33   2.368  -4.555   6.997
  270    HE1  TYR  33           HE1      TYR  33   5.822  -1.229   5.899
  271    HE2  TYR  33           HE2      TYR  33   2.972  -2.830   8.636
  272    HH   TYR  33           HH       TYR  33   4.992  -0.141   7.826
  273    H    LYS  34           HN       LYS  34   5.107  -6.881   3.681
  274    HA   LYS  34           HA       LYS  34   7.753  -5.713   3.779
  275    HB2  LYS  34           HB2      LYS  34   6.760  -8.510   4.333
  276    HB3  LYS  34           HB1      LYS  34   8.438  -8.010   4.495
  277    HG2  LYS  34           HG2      LYS  34   7.702  -6.306   6.152
  278    HG3  LYS  34           HG1      LYS  34   6.081  -6.994   6.061
  279    HD2  LYS  34           HD2      LYS  34   6.807  -9.075   6.932
  280    HD3  LYS  34           HD1      LYS  34   8.505  -8.639   6.742
  281    HE2  LYS  34           HE2      LYS  34   6.586  -7.239   8.597
  282    HE3  LYS  34           HE1      LYS  34   7.682  -8.528   9.090
  283    HZ1  LYS  34           HZ1      LYS  34   8.653  -6.407   9.586
  284    HZ2  LYS  34           HZ2      LYS  34   8.456  -5.879   7.991
  285    HZ3  LYS  34           HZ3      LYS  34   9.540  -7.127   8.339
  286    H    ASP  35           HN       ASP  35   6.935  -5.420   1.289
  287    HA   ASP  35           HA       ASP  35   8.404  -7.466  -0.219
  288    HB2  ASP  35           HB2      ASP  35   6.086  -7.209  -0.969
  289    HB3  ASP  35           HB1      ASP  35   6.315  -5.476  -1.153
  290    H    ALA  36           HN       ALA  36   9.970  -6.734  -1.699
  291    HA   ALA  36           HA       ALA  36  10.769  -3.916  -1.418
  292    HB1  ALA  36           HB1      ALA  36  12.185  -5.259   0.041
  293    HB2  ALA  36           HB2      ALA  36  13.118  -4.614  -1.310
  294    HB3  ALA  36           HB3      ALA  36  12.612  -6.304  -1.314
  295    H    ALA  37           HN       ALA  37   9.455  -5.778  -3.485
  296    HA   ALA  37           HA       ALA  37  11.317  -5.324  -5.719
  297    HB1  ALA  37           HB1      ALA  37   9.897  -6.917  -6.957
  298    HB2  ALA  37           HB2      ALA  37   8.879  -7.095  -5.526
  299    HB3  ALA  37           HB3      ALA  37  10.561  -7.624  -5.483
  300    H    LYS  38           HN       LYS  38   7.983  -4.925  -4.666
  301    HA   LYS  38           HA       LYS  38   7.594  -2.857  -6.727
  302    HB2  LYS  38           HB2      LYS  38   5.546  -4.384  -5.113
  303    HB3  LYS  38           HB1      LYS  38   5.184  -3.158  -6.318
  304    HG2  LYS  38           HG2      LYS  38   6.143  -4.549  -8.059
  305    HG3  LYS  38           HG1      LYS  38   6.579  -5.770  -6.861
  306    HD2  LYS  38           HD2      LYS  38   4.200  -6.014  -6.291
  307    HD3  LYS  38           HD1      LYS  38   3.793  -4.857  -7.556
  308    HE2  LYS  38           HE2      LYS  38   5.178  -7.505  -7.959
  309    HE3  LYS  38           HE1      LYS  38   3.483  -7.170  -8.303
  310    HZ1  LYS  38           HZ1      LYS  38   4.773  -7.068 -10.312
  311    HZ2  LYS  38           HZ2      LYS  38   5.824  -5.928  -9.642
  312    HZ3  LYS  38           HZ3      LYS  38   4.213  -5.516  -9.941
  313    H    HIS  39           HN       HIS  39   7.412  -3.605  -3.291
  314    HA   HIS  39           HA       HIS  39   6.697  -0.847  -2.662
  315    HB2  HIS  39           HB2      HIS  39   5.655  -2.719  -1.400
  316    HB3  HIS  39           HB1      HIS  39   7.243  -3.176  -0.804
  317    HD1  HIS  39           HD1      HIS  39   6.738  -2.702   1.679
  318    HD2  HIS  39           HD2      HIS  39   6.053   0.549  -0.827
  319    HE1  HIS  39           HE1      HIS  39   6.402  -0.701   3.180
  320    H    VAL  40           HN       VAL  40   8.474   0.387  -3.163
  321    HA   VAL  40           HA       VAL  40  10.985  -0.371  -1.841
  322    HB   VAL  40           HB       VAL  40  10.734   1.274  -4.361
  323   HG11  VAL  40          HG11      VAL  40  12.721   1.787  -3.054
  324   HG12  VAL  40          HG12      VAL  40  13.156   0.935  -4.534
  325   HG13  VAL  40          HG13      VAL  40  13.141   0.076  -2.994
  326   HG21  VAL  40          HG21      VAL  40  11.611  -0.694  -5.542
  327   HG22  VAL  40          HG22      VAL  40  10.046  -1.022  -4.797
  328   HG23  VAL  40          HG23      VAL  40  11.523  -1.623  -4.045
  329    H    HIS  41           HN       HIS  41  11.776   0.877  -0.409
  330    HA   HIS  41           HA       HIS  41  10.561   3.483   0.017
  331    HB2  HIS  41           HB2      HIS  41  11.864   1.468   1.732
  332    HB3  HIS  41           HB1      HIS  41  12.147   3.152   2.173
  333    HD1  HIS  41           HD1      HIS  41  10.452   1.425   4.073
  334    HD2  HIS  41           HD2      HIS  41   8.899   3.654   0.942
  335    HE1  HIS  41           HE1      HIS  41   8.115   2.106   4.771
  336    H    LYS  42           HN       LYS  42  13.805   2.059  -0.237
  337    HA   LYS  42           HA       LYS  42  14.853   4.767  -0.590
  338    HB2  LYS  42           HB2      LYS  42  16.254   2.145  -0.063
  339    HB3  LYS  42           HB1      LYS  42  17.096   3.653  -0.388
  340    HG2  LYS  42           HG2      LYS  42  15.257   3.104   1.934
  341    HG3  LYS  42           HG1      LYS  42  17.015   3.220   1.990
  342    HD2  LYS  42           HD2      LYS  42  15.107   5.438   1.253
  343    HD3  LYS  42           HD1      LYS  42  15.979   5.282   2.775
  344    HE2  LYS  42           HE2      LYS  42  18.095   5.538   1.634
  345    HE3  LYS  42           HE1      LYS  42  17.282   5.561   0.070
  346    HZ1  LYS  42           HZ1      LYS  42  17.066   7.605   2.210
  347    HZ2  LYS  42           HZ2      LYS  42  16.131   7.599   0.801
  348    HZ3  LYS  42           HZ3      LYS  42  17.810   7.783   0.698
  349    H    GLU  43           HN       GLU  43  13.834   4.895  -2.655
  350    HA   GLU  43           HA       GLU  43  15.157   3.356  -4.774
  351    HB2  GLU  43           HB2      GLU  43  12.694   3.250  -4.722
  352    HB3  GLU  43           HB1      GLU  43  12.619   5.000  -4.854
  353    HG2  GLU  43           HG2      GLU  43  13.566   4.927  -7.056
  354    HG3  GLU  43           HG1      GLU  43  13.837   3.189  -6.921
  355    H    SER  44           HN       SER  44  13.895   6.640  -4.219
  356    HA   SER  44           HA       SER  44  16.393   7.771  -5.137
  357    HB2  SER  44           HB2      SER  44  15.122   7.469  -7.233
  358    HB3  SER  44           HB1      SER  44  13.786   8.395  -6.550
  359    HG   SER  44           HG       SER  44  16.073   9.267  -7.714
  360    H    GLU  45           HN       GLU  45  16.854   9.188  -3.608
  361    HA   GLU  45           HA       GLU  45  14.662  10.797  -2.475
  362    HB2  GLU  45           HB2      GLU  45  15.979  11.062  -0.462
  363    HB3  GLU  45           HB1      GLU  45  15.818   9.354  -0.824
  364    HG2  GLU  45           HG2      GLU  45  18.244  11.000  -1.500
  365    HG3  GLU  45           HG1      GLU  45  18.071  10.048  -0.029
  366    H    GLN  46           HN       GLN  46  16.730  11.002  -4.819
  367    HA   GLN  46           HA       GLN  46  17.377  13.815  -4.308
  368    HB2  GLN  46           HB2      GLN  46  19.401  12.469  -3.946
  369    HB3  GLN  46           HB1      GLN  46  19.222  11.758  -5.542
  370    HG2  GLN  46           HG2      GLN  46  19.683  13.837  -6.602
  371    HG3  GLN  46           HG1      GLN  46  19.622  14.695  -5.064
  372   HE21  GLN  46          HE21      GLN  46  21.464  12.514  -7.063
  373   HE22  GLN  46          HE22      GLN  46  22.955  12.665  -6.195
  Start of MODEL   17
    1    H1   GLY  -2           HT1      GLY  -2 -23.636   6.118   4.786
    2    H2   GLY  -2           HT2      GLY  -2 -23.889   7.134   6.109
    3    H3   GLY  -2           HT3      GLY  -2 -23.901   5.456   6.318
    4    HA2  GLY  -2           HA1      GLY  -2 -21.828   6.396   7.115
    5    HA3  GLY  -2           HA2      GLY  -2 -21.571   5.329   5.740
    6    HA   PRO  -1           HA       PRO  -1 -19.321   9.301   4.851
    7    HB2  PRO  -1           HB2      PRO  -1 -17.360   7.999   3.417
    8    HB3  PRO  -1           HB1      PRO  -1 -17.260   8.357   5.144
    9    HG2  PRO  -1           HG2      PRO  -1 -18.031   5.814   3.776
   10    HG3  PRO  -1           HG1      PRO  -1 -17.034   6.053   5.223
   11    HD2  PRO  -1           HD2      PRO  -1 -19.594   5.262   5.389
   12    HD3  PRO  -1           HD1      PRO  -1 -18.874   6.346   6.595
   13    H    HIS   0           HN       HIS   0 -20.300  10.367   3.255
   14    HA   HIS   0           HA       HIS   0 -21.425   8.967   1.002
   15    HB2  HIS   0           HB2      HIS   0 -21.395  11.903   1.721
   16    HB3  HIS   0           HB1      HIS   0 -22.258  11.228   0.344
   17    HD1  HIS   0           HD1      HIS   0 -23.032  12.436   3.496
   18    HD2  HIS   0           HD2      HIS   0 -23.965   8.881   1.545
   19    HE1  HIS   0           HE1      HIS   0 -25.076  11.542   4.653
   20    HE2  HIS   0           HE2      HIS   0 -25.695   9.459   3.380
   21    H    MET   1           HN       MET   1 -18.831   8.508   0.802
   22    HA   MET   1           HA       MET   1 -17.870  10.334  -1.300
   23    HB2  MET   1           HB2      MET   1 -16.340   8.576   0.621
   24    HB3  MET   1           HB1      MET   1 -15.600   9.349  -0.774
   25    HG2  MET   1           HG2      MET   1 -16.944  10.764   1.515
   26    HG3  MET   1           HG1      MET   1 -15.206  10.601   1.276
   27    HE1  MET   1           HE1      MET   1 -13.905  11.666  -0.799
   28    HE2  MET   1           HE2      MET   1 -14.677  12.667  -2.028
   29    HE3  MET   1           HE3      MET   1 -15.047  10.944  -1.933
   30    H    VAL   2           HN       VAL   2 -18.901   7.173  -0.546
   31    HA   VAL   2           HA       VAL   2 -19.188   5.277  -1.748
   32    HB   VAL   2           HB       VAL   2 -18.198   6.880  -4.114
   33   HG11  VAL   2          HG11      VAL   2 -17.901   4.499  -4.497
   34   HG12  VAL   2          HG12      VAL   2 -19.231   5.115  -5.479
   35   HG13  VAL   2          HG13      VAL   2 -19.570   4.193  -4.015
   36   HG21  VAL   2          HG21      VAL   2 -20.244   7.791  -3.180
   37   HG22  VAL   2          HG22      VAL   2 -20.992   6.195  -3.204
   38   HG23  VAL   2          HG23      VAL   2 -20.580   6.997  -4.719
   39    H    SER   3           HN       SER   3 -16.186   6.876  -2.831
   40    HA   SER   3           HA       SER   3 -14.794   4.323  -2.762
   41    HB2  SER   3           HB2      SER   3 -14.413   5.989  -4.606
   42    HB3  SER   3           HB1      SER   3 -13.696   7.069  -3.415
   43    HG   SER   3           HG       SER   3 -12.351   5.450  -4.760
   44    H    SER   4           HN       SER   4 -15.615   4.684  -0.315
   45    HA   SER   4           HA       SER   4 -13.779   6.170   1.316
   46    HB2  SER   4           HB2      SER   4 -15.004   4.690   3.127
   47    HB3  SER   4           HB1      SER   4 -15.855   6.014   2.330
   48    HG   SER   4           HG       SER   4 -16.381   3.360   2.276
   49    H    ALA   5           HN       ALA   5 -14.055   2.938   0.102
   50    HA   ALA   5           HA       ALA   5 -11.794   2.029   1.709
   51    HB1  ALA   5           HB1      ALA   5 -12.258  -0.182   0.774
   52    HB2  ALA   5           HB2      ALA   5 -13.530   0.507  -0.236
   53    HB3  ALA   5           HB3      ALA   5 -13.700   0.505   1.519
   54    H    VAL   6           HN       VAL   6 -10.067   0.871   0.600
   55    HA   VAL   6           HA       VAL   6  -9.431   2.156  -1.962
   56    HB   VAL   6           HB       VAL   6  -8.500   3.296   0.162
   57   HG11  VAL   6          HG11      VAL   6  -6.604   0.964   0.001
   58   HG12  VAL   6          HG12      VAL   6  -7.750   1.287   1.301
   59   HG13  VAL   6          HG13      VAL   6  -6.407   2.392   1.015
   60   HG21  VAL   6          HG21      VAL   6  -6.419   3.856  -0.977
   61   HG22  VAL   6          HG22      VAL   6  -7.807   3.861  -2.064
   62   HG23  VAL   6          HG23      VAL   6  -6.674   2.510  -2.088
   63    H    LYS   7           HN       LYS   7  -7.538   1.065  -3.047
   64    HA   LYS   7           HA       LYS   7  -7.652  -1.814  -2.451
   65    HB2  LYS   7           HB2      LYS   7  -7.081  -0.474  -5.096
   66    HB3  LYS   7           HB1      LYS   7  -7.187  -2.207  -4.814
   67    HG2  LYS   7           HG2      LYS   7  -9.433  -0.228  -4.525
   68    HG3  LYS   7           HG1      LYS   7  -9.211  -1.382  -5.843
   69    HD2  LYS   7           HD2      LYS   7  -9.326  -3.218  -4.150
   70    HD3  LYS   7           HD1      LYS   7  -9.741  -2.002  -2.941
   71    HE2  LYS   7           HE2      LYS   7 -11.709  -1.378  -4.247
   72    HE3  LYS   7           HE1      LYS   7 -11.294  -2.598  -5.450
   73    HZ1  LYS   7           HZ1      LYS   7 -11.604  -4.311  -3.816
   74    HZ2  LYS   7           HZ2      LYS   7 -12.995  -3.353  -3.874
   75    HZ3  LYS   7           HZ3      LYS   7 -11.899  -3.172  -2.597
   76    H    CYS   8           HN       CYS   8  -5.740  -3.079  -2.910
   77    HA   CYS   8           HA       CYS   8  -3.428  -1.962  -1.724
   78    HB2  CYS   8           HB2      CYS   8  -4.101  -4.390  -1.710
   79    HB3  CYS   8           HB1      CYS   8  -3.609  -4.477  -3.392
   80    H    GLY   9           HN       GLY   9  -2.086  -0.552  -2.683
   81    HA2  GLY   9           HA2      GLY   9  -2.111  -0.205  -5.533
   82    HA3  GLY   9           HA1      GLY   9  -1.140   0.697  -4.384
   83    H    ILE  10           HN       ILE  10  -0.671  -2.544  -3.816
   84    HA   ILE  10           HA       ILE  10   1.865  -2.419  -5.275
   85    HB   ILE  10           HB       ILE  10   1.126  -4.210  -2.960
   86   HG12  ILE  10          HG12      ILE  10   2.597  -1.571  -3.077
   87   HG13  ILE  10          HG11      ILE  10   1.106  -1.925  -2.212
   88   HG21  ILE  10          HG21      ILE  10   3.526  -4.622  -2.806
   89   HG22  ILE  10          HG22      ILE  10   3.805  -3.584  -4.203
   90   HG23  ILE  10          HG23      ILE  10   2.913  -5.096  -4.391
   91   HD11  ILE  10          HD11      ILE  10   3.682  -3.292  -1.568
   92   HD12  ILE  10          HD12      ILE  10   2.227  -3.177  -0.588
   93   HD13  ILE  10          HD13      ILE  10   3.228  -1.750  -0.850
   94    H    CYS  11           HN       CYS  11  -0.920  -4.532  -4.663
   95    HA   CYS  11           HA       CYS  11   0.018  -6.185  -6.908
   96    HB2  CYS  11           HB2      CYS  11  -0.996  -8.128  -5.931
   97    HB3  CYS  11           HB1      CYS  11   0.026  -7.364  -4.720
   98    H    ARG  12           HN       ARG  12  -2.418  -4.172  -5.732
   99    HA   ARG  12           HA       ARG  12  -4.422  -3.474  -6.490
  100    HB2  ARG  12           HB2      ARG  12  -3.416  -4.691  -9.067
  101    HB3  ARG  12           HB1      ARG  12  -4.847  -3.678  -8.941
  102    HG2  ARG  12           HG2      ARG  12  -2.058  -2.811  -8.207
  103    HG3  ARG  12           HG1      ARG  12  -2.860  -2.460  -9.739
  104    HD2  ARG  12           HD2      ARG  12  -4.565  -1.191  -8.611
  105    HD3  ARG  12           HD1      ARG  12  -3.917  -1.643  -7.037
  106    HE   ARG  12           HE       ARG  12  -1.897  -0.360  -8.494
  107   HH11  ARG  12          HH11      ARG  12  -4.999   0.384  -7.044
  108   HH12  ARG  12          HH12      ARG  12  -4.571   2.023  -6.668
  109   HH21  ARG  12          HH21      ARG  12  -1.340   1.796  -8.024
  110   HH22  ARG  12          HH22      ARG  12  -2.486   2.829  -7.234
  111    H    GLY  13           HN       GLY  13  -4.144  -6.186  -5.350
  112    HA2  GLY  13           HA2      GLY  13  -6.012  -7.834  -6.832
  113    HA3  GLY  13           HA1      GLY  13  -5.190  -8.265  -5.342
  114    H    VAL  14           HN       VAL  14  -5.938  -6.963  -3.388
  115    HA   VAL  14           HA       VAL  14  -8.856  -6.638  -3.539
  116    HB   VAL  14           HB       VAL  14  -9.074  -7.512  -1.285
  117   HG11  VAL  14          HG11      VAL  14  -9.208  -9.112  -3.105
  118   HG12  VAL  14          HG12      VAL  14  -8.471  -9.853  -1.684
  119   HG13  VAL  14          HG13      VAL  14  -7.461  -9.352  -3.039
  120   HG21  VAL  14          HG21      VAL  14  -7.174  -8.527  -0.109
  121   HG22  VAL  14          HG22      VAL  14  -6.945  -6.795  -0.359
  122   HG23  VAL  14          HG23      VAL  14  -6.093  -7.954  -1.379
  123    H    ASP  15           HN       ASP  15  -9.308  -5.670  -1.011
  124    HA   ASP  15           HA       ASP  15  -8.662  -2.946  -1.352
  125    HB2  ASP  15           HB2      ASP  15  -9.780  -4.319   1.096
  126    HB3  ASP  15           HB1      ASP  15  -9.833  -2.593   0.761
  127    H    GLY  16           HN       GLY  16  -7.272  -1.614  -0.273
  128    HA2  GLY  16           HA2      GLY  16  -5.005  -2.919   1.012
  129    HA3  GLY  16           HA1      GLY  16  -5.091  -1.239   0.499
  130    H    LYS  17           HN       LYS  17  -6.258  -3.527   2.915
  131    HA   LYS  17           HA       LYS  17  -7.410  -1.579   4.621
  132    HB2  LYS  17           HB2      LYS  17  -7.173  -3.432   6.372
  133    HB3  LYS  17           HB1      LYS  17  -8.176  -3.762   4.967
  134    HG2  LYS  17           HG2      LYS  17  -6.574  -5.181   4.017
  135    HG3  LYS  17           HG1      LYS  17  -5.296  -4.596   5.085
  136    HD2  LYS  17           HD2      LYS  17  -6.247  -5.677   6.961
  137    HD3  LYS  17           HD1      LYS  17  -7.745  -6.024   6.093
  138    HE2  LYS  17           HE2      LYS  17  -6.416  -7.474   4.554
  139    HE3  LYS  17           HE1      LYS  17  -5.024  -7.224   5.606
  140    HZ1  LYS  17           HZ1      LYS  17  -6.176  -9.288   6.106
  141    HZ2  LYS  17           HZ2      LYS  17  -7.603  -8.443   6.430
  142    HZ3  LYS  17           HZ3      LYS  17  -6.248  -8.228   7.418
  143    H    TYR  18           HN       TYR  18  -4.183  -2.860   4.311
  144    HA   TYR  18           HA       TYR  18  -3.299  -1.481   6.728
  145    HB2  TYR  18           HB2      TYR  18  -2.080  -3.525   4.897
  146    HB3  TYR  18           HB1      TYR  18  -1.052  -2.567   5.944
  147    HD1  TYR  18           HD1      TYR  18  -4.411  -3.962   6.737
  148    HD2  TYR  18           HD2      TYR  18  -0.218  -4.152   7.420
  149    HE1  TYR  18           HE1      TYR  18  -4.784  -5.577   8.554
  150    HE2  TYR  18           HE2      TYR  18  -0.579  -5.761   9.241
  151    HH   TYR  18           HH       TYR  18  -2.355  -6.432  10.783
  152    H    LYS  19           HN       LYS  19  -1.469   0.014   6.615
  153    HA   LYS  19           HA       LYS  19  -1.075   1.283   4.006
  154    HB2  LYS  19           HB2      LYS  19  -3.075   2.291   5.210
  155    HB3  LYS  19           HB1      LYS  19  -1.945   2.860   6.429
  156    HG2  LYS  19           HG2      LYS  19  -1.484   3.578   3.574
  157    HG3  LYS  19           HG1      LYS  19  -2.727   4.422   4.490
  158    HD2  LYS  19           HD2      LYS  19  -0.870   4.753   6.255
  159    HD3  LYS  19           HD1      LYS  19   0.228   4.349   4.933
  160    HE2  LYS  19           HE2      LYS  19  -0.572   6.191   3.624
  161    HE3  LYS  19           HE1      LYS  19  -1.846   6.532   4.793
  162    HZ1  LYS  19           HZ1      LYS  19   1.076   6.817   5.239
  163    HZ2  LYS  19           HZ2      LYS  19  -0.103   7.050   6.428
  164    HZ3  LYS  19           HZ3      LYS  19  -0.044   8.073   5.084
  165    H    CYS  20           HN       CYS  20   0.844   2.431   3.823
  166    HA   CYS  20           HA       CYS  20   2.759   1.993   6.004
  167    HB2  CYS  20           HB2      CYS  20   3.419   1.260   3.738
  168    HB3  CYS  20           HB1      CYS  20   3.271   2.917   3.164
  169    HA   PRO  21           HA       PRO  21   2.074   6.326   7.008
  170    HB2  PRO  21           HB2      PRO  21   3.808   6.337   9.126
  171    HB3  PRO  21           HB1      PRO  21   2.136   5.777   9.228
  172    HG2  PRO  21           HG2      PRO  21   4.651   4.187   8.928
  173    HG3  PRO  21           HG1      PRO  21   3.232   3.857   9.937
  174    HD2  PRO  21           HD2      PRO  21   3.643   2.599   7.587
  175    HD3  PRO  21           HD1      PRO  21   2.017   3.000   8.166
  176    H    LYS  22           HN       LYS  22   4.888   4.711   5.981
  177    HA   LYS  22           HA       LYS  22   6.604   7.043   6.174
  178    HB2  LYS  22           HB2      LYS  22   7.189   4.342   4.966
  179    HB3  LYS  22           HB1      LYS  22   8.363   5.591   5.352
  180    HG2  LYS  22           HG2      LYS  22   6.648   4.130   7.342
  181    HG3  LYS  22           HG1      LYS  22   8.344   3.784   7.002
  182    HD2  LYS  22           HD2      LYS  22   7.274   6.401   8.066
  183    HD3  LYS  22           HD1      LYS  22   8.052   5.148   9.036
  184    HE2  LYS  22           HE2      LYS  22  10.111   5.421   7.777
  185    HE3  LYS  22           HE1      LYS  22   9.342   6.614   6.733
  186    HZ1  LYS  22           HZ1      LYS  22   9.057   8.055   8.643
  187    HZ2  LYS  22           HZ2      LYS  22  10.690   7.655   8.444
  188    HZ3  LYS  22           HZ3      LYS  22   9.780   6.907   9.654
  189    H    CYS  23           HN       CYS  23   5.485   4.922   3.487
  190    HA   CYS  23           HA       CYS  23   6.246   7.097   1.672
  191    HB2  CYS  23           HB2      CYS  23   5.954   5.454  -0.181
  192    HB3  CYS  23           HB1      CYS  23   7.207   5.024   0.971
  193    H    GLY  24           HN       GLY  24   3.497   5.529   2.983
  194    HA2  GLY  24           HA2      GLY  24   1.383   6.554   3.029
  195    HA3  GLY  24           HA1      GLY  24   1.822   7.478   1.600
  196    H    VAL  25           HN       VAL  25   2.560   4.157   1.560
  197    HA   VAL  25           HA       VAL  25   0.738   3.817  -0.657
  198    HB   VAL  25           HB       VAL  25   3.206   3.028  -0.538
  199   HG11  VAL  25          HG11      VAL  25   3.480   0.695   0.199
  200   HG12  VAL  25          HG12      VAL  25   1.852   0.741   0.878
  201   HG13  VAL  25          HG13      VAL  25   3.108   1.795   1.526
  202   HG21  VAL  25          HG21      VAL  25   2.745   1.178  -2.067
  203   HG22  VAL  25          HG22      VAL  25   1.743   2.587  -2.415
  204   HG23  VAL  25          HG23      VAL  25   1.052   1.200  -1.574
  205    H    ARG  26           HN       ARG  26  -0.589   1.923  -0.828
  206    HA   ARG  26           HA       ARG  26  -1.679   1.034   1.755
  207    HB2  ARG  26           HB2      ARG  26  -3.016   1.720  -0.850
  208    HB3  ARG  26           HB1      ARG  26  -3.785   0.618   0.283
  209    HG2  ARG  26           HG2      ARG  26  -2.888   3.377   1.053
  210    HG3  ARG  26           HG1      ARG  26  -4.496   3.026   0.414
  211    HD2  ARG  26           HD2      ARG  26  -4.768   1.352   2.248
  212    HD3  ARG  26           HD1      ARG  26  -3.247   1.930   2.927
  213    HE   ARG  26           HE       ARG  26  -4.626   4.201   2.758
  214   HH11  ARG  26          HH11      ARG  26  -5.653   1.047   3.882
  215   HH12  ARG  26          HH12      ARG  26  -6.731   1.690   5.083
  216   HH21  ARG  26          HH21      ARG  26  -6.058   5.047   4.337
  217   HH22  ARG  26          HH22      ARG  26  -6.961   3.957   5.340
  218    H    TYR  27           HN       TYR  27  -1.643  -1.101   2.114
  219    HA   TYR  27           HA       TYR  27  -1.443  -2.869  -0.214
  220    HB2  TYR  27           HB2      TYR  27  -0.071  -4.305   1.659
  221    HB3  TYR  27           HB1      TYR  27   0.662  -3.358   0.379
  222    HD1  TYR  27           HD1      TYR  27  -0.720  -2.704   3.792
  223    HD2  TYR  27           HD2      TYR  27   2.446  -2.089   1.036
  224    HE1  TYR  27           HE1      TYR  27   0.492  -1.382   5.480
  225    HE2  TYR  27           HE2      TYR  27   3.660  -0.774   2.712
  226    HH   TYR  27           HH       TYR  27   2.666  -0.669   6.009
  227    H    CYS  28           HN       CYS  28  -2.166  -4.964   0.083
  228    HA   CYS  28           HA       CYS  28  -4.646  -5.035   1.453
  229    HB2  CYS  28           HB2      CYS  28  -4.859  -7.271   0.435
  230    HB3  CYS  28           HB1      CYS  28  -4.380  -6.055  -0.738
  231    H    SER  29           HN       SER  29  -1.462  -6.027   2.257
  232    HA   SER  29           HA       SER  29  -2.091  -6.733   4.887
  233    HB2  SER  29           HB2      SER  29  -1.665  -9.173   4.810
  234    HB3  SER  29           HB1      SER  29  -3.103  -8.742   3.890
  235    HG   SER  29           HG       SER  29  -2.176  -9.439   2.141
  236    H    LEU  30           HN       LEU  30  -0.088  -8.398   5.618
  237    HA   LEU  30           HA       LEU  30   2.266  -6.887   5.309
  238    HB2  LEU  30           HB2      LEU  30   1.688  -9.613   6.403
  239    HB3  LEU  30           HB1      LEU  30   3.338  -9.041   6.256
  240    HG   LEU  30           HG       LEU  30   1.178  -7.665   7.860
  241   HD11  LEU  30          HD11      LEU  30   3.489  -9.381   8.746
  242   HD12  LEU  30          HD12      LEU  30   1.783  -9.822   8.818
  243   HD13  LEU  30          HD13      LEU  30   2.394  -8.496   9.807
  244   HD21  LEU  30          HD21      LEU  30   4.153  -7.187   7.708
  245   HD22  LEU  30          HD22      LEU  30   3.015  -6.345   8.759
  246   HD23  LEU  30          HD23      LEU  30   2.910  -6.151   7.011
  247    H    LYS  31           HN       LYS  31   0.843  -9.294   3.346
  248    HA   LYS  31           HA       LYS  31   3.087 -10.556   2.251
  249    HB2  LYS  31           HB2      LYS  31   0.468  -9.935   0.873
  250    HB3  LYS  31           HB1      LYS  31   1.628 -11.161   0.385
  251    HG2  LYS  31           HG2      LYS  31   0.152 -11.158   3.006
  252    HG3  LYS  31           HG1      LYS  31  -0.336 -12.065   1.575
  253    HD2  LYS  31           HD2      LYS  31   1.767 -13.302   1.633
  254    HD3  LYS  31           HD1      LYS  31   2.276 -12.378   3.047
  255    HE2  LYS  31           HE2      LYS  31   1.408 -14.577   3.676
  256    HE3  LYS  31           HE1      LYS  31   0.413 -13.274   4.328
  257    HZ1  LYS  31           HZ1      LYS  31  -0.956 -15.027   3.423
  258    HZ2  LYS  31           HZ2      LYS  31  -0.201 -14.895   1.918
  259    HZ3  LYS  31           HZ3      LYS  31  -1.147 -13.622   2.503
  260    H    CYS  32           HN       CYS  32   1.433  -7.588   1.346
  261    HA   CYS  32           HA       CYS  32   3.445  -7.068  -0.703
  262    HB2  CYS  32           HB2      CYS  32   0.850  -5.669  -0.032
  263    HB3  CYS  32           HB1      CYS  32   1.957  -5.144  -1.297
  264    H    TYR  33           HN       TYR  33   2.530  -6.164   2.487
  265    HA   TYR  33           HA       TYR  33   3.718  -3.650   2.746
  266    HB2  TYR  33           HB2      TYR  33   2.304  -4.910   4.465
  267    HB3  TYR  33           HB1      TYR  33   3.766  -5.792   4.882
  268    HD1  TYR  33           HD1      TYR  33   5.336  -2.963   4.282
  269    HD2  TYR  33           HD2      TYR  33   2.263  -4.299   6.903
  270    HE1  TYR  33           HE1      TYR  33   5.921  -1.180   5.879
  271    HE2  TYR  33           HE2      TYR  33   2.854  -2.536   8.509
  272    HH   TYR  33           HH       TYR  33   5.037   0.025   7.704
  273    H    LYS  34           HN       LYS  34   5.126  -6.845   3.510
  274    HA   LYS  34           HA       LYS  34   7.751  -5.603   3.679
  275    HB2  LYS  34           HB2      LYS  34   7.014  -8.482   4.175
  276    HB3  LYS  34           HB1      LYS  34   8.511  -7.684   4.626
  277    HG2  LYS  34           HG2      LYS  34   7.168  -6.183   6.103
  278    HG3  LYS  34           HG1      LYS  34   5.770  -7.197   5.757
  279    HD2  LYS  34           HD2      LYS  34   8.329  -7.987   7.142
  280    HD3  LYS  34           HD1      LYS  34   6.711  -7.916   7.837
  281    HE2  LYS  34           HE2      LYS  34   7.620  -9.819   5.677
  282    HE3  LYS  34           HE1      LYS  34   7.423 -10.221   7.380
  283    HZ1  LYS  34           HZ1      LYS  34   5.051  -9.636   7.143
  284    HZ2  LYS  34           HZ2      LYS  34   5.512 -10.944   6.178
  285    HZ3  LYS  34           HZ3      LYS  34   5.289  -9.424   5.481
  286    H    ASP  35           HN       ASP  35   6.507  -5.756   1.099
  287    HA   ASP  35           HA       ASP  35   8.249  -7.662  -0.297
  288    HB2  ASP  35           HB2      ASP  35   5.882  -7.669  -0.985
  289    HB3  ASP  35           HB1      ASP  35   5.977  -5.950  -1.352
  290    H    ALA  36           HN       ALA  36  10.113  -6.918  -1.114
  291    HA   ALA  36           HA       ALA  36  10.467  -4.004  -1.225
  292    HB1  ALA  36           HB1      ALA  36  12.578  -6.155  -1.094
  293    HB2  ALA  36           HB2      ALA  36  11.978  -5.228   0.280
  294    HB3  ALA  36           HB3      ALA  36  12.850  -4.413  -1.019
  295    H    ALA  37           HN       ALA  37   9.360  -5.990  -3.287
  296    HA   ALA  37           HA       ALA  37  11.225  -5.443  -5.483
  297    HB1  ALA  37           HB1      ALA  37   8.777  -7.208  -5.425
  298    HB2  ALA  37           HB2      ALA  37  10.442  -7.756  -5.241
  299    HB3  ALA  37           HB3      ALA  37   9.912  -7.048  -6.767
  300    H    LYS  38           HN       LYS  38   7.817  -5.120  -4.582
  301    HA   LYS  38           HA       LYS  38   7.488  -3.112  -6.706
  302    HB2  LYS  38           HB2      LYS  38   5.422  -4.590  -5.076
  303    HB3  LYS  38           HB1      LYS  38   5.065  -3.406  -6.326
  304    HG2  LYS  38           HG2      LYS  38   6.199  -4.855  -7.971
  305    HG3  LYS  38           HG1      LYS  38   6.432  -6.059  -6.701
  306    HD2  LYS  38           HD2      LYS  38   3.986  -6.142  -6.387
  307    HD3  LYS  38           HD1      LYS  38   3.796  -5.018  -7.732
  308    HE2  LYS  38           HE2      LYS  38   5.018  -7.772  -7.860
  309    HE3  LYS  38           HE1      LYS  38   3.431  -7.305  -8.469
  310    HZ1  LYS  38           HZ1      LYS  38   4.535  -5.798 -10.025
  311    HZ2  LYS  38           HZ2      LYS  38   5.032  -7.396 -10.253
  312    HZ3  LYS  38           HZ3      LYS  38   6.046  -6.304  -9.457
  313    H    HIS  39           HN       HIS  39   7.346  -3.613  -3.260
  314    HA   HIS  39           HA       HIS  39   6.565  -0.818  -2.851
  315    HB2  HIS  39           HB2      HIS  39   5.257  -2.441  -1.599
  316    HB3  HIS  39           HB1      HIS  39   6.715  -3.132  -0.905
  317    HD1  HIS  39           HD1      HIS  39   6.181  -2.593   1.535
  318    HD2  HIS  39           HD2      HIS  39   6.048   0.724  -0.966
  319    HE1  HIS  39           HE1      HIS  39   6.016  -0.571   3.036
  320    H    VAL  40           HN       VAL  40   8.467   0.182  -3.343
  321    HA   VAL  40           HA       VAL  40  10.743  -0.516  -1.637
  322    HB   VAL  40           HB       VAL  40  11.338  -1.245  -3.795
  323   HG11  VAL  40          HG11      VAL  40   9.597  -0.165  -5.066
  324   HG12  VAL  40          HG12      VAL  40  11.170   0.145  -5.806
  325   HG13  VAL  40          HG13      VAL  40  10.380   1.403  -4.854
  326   HG21  VAL  40          HG21      VAL  40  13.199   0.217  -4.440
  327   HG22  VAL  40          HG22      VAL  40  13.118  -0.006  -2.692
  328   HG23  VAL  40          HG23      VAL  40  12.542   1.494  -3.417
  329    H    HIS  41           HN       HIS  41  11.379   0.932  -0.333
  330    HA   HIS  41           HA       HIS  41  10.362   3.597  -0.400
  331    HB2  HIS  41           HB2      HIS  41  11.995   1.962   1.455
  332    HB3  HIS  41           HB1      HIS  41  12.202   3.708   1.556
  333    HD1  HIS  41           HD1      HIS  41  10.974   2.417   3.977
  334    HD2  HIS  41           HD2      HIS  41   8.738   3.677   0.731
  335    HE1  HIS  41           HE1      HIS  41   8.646   2.880   4.853
  336    H    LYS  42           HN       LYS  42  11.191   4.189  -2.468
  337    HA   LYS  42           HA       LYS  42  14.028   4.745  -2.688
  338    HB2  LYS  42           HB2      LYS  42  12.734   3.995  -4.654
  339    HB3  LYS  42           HB1      LYS  42  11.714   5.419  -4.524
  340    HG2  LYS  42           HG2      LYS  42  13.312   5.740  -6.282
  341    HG3  LYS  42           HG1      LYS  42  13.692   6.832  -4.950
  342    HD2  LYS  42           HD2      LYS  42  15.473   5.376  -4.210
  343    HD3  LYS  42           HD1      LYS  42  15.043   4.177  -5.432
  344    HE2  LYS  42           HE2      LYS  42  15.621   5.739  -7.198
  345    HE3  LYS  42           HE1      LYS  42  15.976   6.986  -6.006
  346    HZ1  LYS  42           HZ1      LYS  42  17.992   5.934  -6.799
  347    HZ2  LYS  42           HZ2      LYS  42  17.434   4.416  -6.309
  348    HZ3  LYS  42           HZ3      LYS  42  17.771   5.607  -5.157
  349    H    GLU  43           HN       GLU  43  14.861   6.487  -1.764
  350    HA   GLU  43           HA       GLU  43  15.124   8.542  -0.844
  351    HB2  GLU  43           HB2      GLU  43  13.019   9.299  -2.880
  352    HB3  GLU  43           HB1      GLU  43  13.974  10.448  -1.954
  353    HG2  GLU  43           HG2      GLU  43  15.081   8.420  -3.879
  354    HG3  GLU  43           HG1      GLU  43  14.822  10.127  -4.229
  355    H    SER  44           HN       SER  44  13.663   6.923   0.684
  356    HA   SER  44           HA       SER  44  11.147   8.122   1.422
  357    HB2  SER  44           HB2      SER  44  11.259   6.363   3.272
  358    HB3  SER  44           HB1      SER  44  11.215   5.762   1.614
  359    HG   SER  44           HG       SER  44  13.760   6.176   2.341
  360    H    GLU  45           HN       GLU  45  12.665  10.163   1.683
  361    HA   GLU  45           HA       GLU  45  13.701  10.340   4.408
  362    HB2  GLU  45           HB2      GLU  45  14.976  11.299   2.471
  363    HB3  GLU  45           HB1      GLU  45  13.666  12.447   2.240
  364    HG2  GLU  45           HG2      GLU  45  14.065  13.278   4.541
  365    HG3  GLU  45           HG1      GLU  45  15.473  12.222   4.630
  366    H    GLN  46           HN       GLN  46  11.790  10.243   5.590
  367    HA   GLN  46           HA       GLN  46   9.759  12.283   5.050
  368    HB2  GLN  46           HB2      GLN  46   9.005   9.943   5.232
  369    HB3  GLN  46           HB1      GLN  46   9.669   9.859   6.855
  370    HG2  GLN  46           HG2      GLN  46   8.092  11.567   7.595
  371    HG3  GLN  46           HG1      GLN  46   7.424  11.654   5.965
  372   HE21  GLN  46          HE21      GLN  46   5.383  11.035   6.654
  373   HE22  GLN  46          HE22      GLN  46   5.027   9.406   7.124
  Start of MODEL   18
    1    H1   GLY  -2           HT1      GLY  -2 -25.310  -4.642 -10.138
    2    H2   GLY  -2           HT2      GLY  -2 -24.652  -6.131  -9.685
    3    H3   GLY  -2           HT3      GLY  -2 -23.710  -5.015 -10.534
    4    HA2  GLY  -2           HA1      GLY  -2 -24.764  -4.675  -7.789
    5    HA3  GLY  -2           HA2      GLY  -2 -23.095  -5.035  -8.212
    6    HA   PRO  -1           HA       PRO  -1 -23.576  -0.414  -8.009
    7    HB2  PRO  -1           HB2      PRO  -1 -21.418  -0.446  -6.071
    8    HB3  PRO  -1           HB1      PRO  -1 -23.070   0.138  -5.869
    9    HG2  PRO  -1           HG2      PRO  -1 -22.099  -2.072  -4.604
   10    HG3  PRO  -1           HG1      PRO  -1 -23.809  -1.854  -5.016
   11    HD2  PRO  -1           HD2      PRO  -1 -21.708  -3.454  -6.428
   12    HD3  PRO  -1           HD1      PRO  -1 -23.410  -3.857  -6.110
   13    H    HIS   0           HN       HIS   0 -21.979   1.184  -8.673
   14    HA   HIS   0           HA       HIS   0 -19.875  -0.022 -10.271
   15    HB2  HIS   0           HB2      HIS   0 -19.539   2.223 -11.222
   16    HB3  HIS   0           HB1      HIS   0 -21.212   1.706 -11.340
   17    HD1  HIS   0           HD1      HIS   0 -22.966   3.166 -10.229
   18    HD2  HIS   0           HD2      HIS   0 -19.075   4.357  -9.382
   19    HE1  HIS   0           HE1      HIS   0 -23.167   5.434  -9.165
   20    HE2  HIS   0           HE2      HIS   0 -20.797   6.181  -8.755
   21    H    MET   1           HN       MET   1 -19.332  -0.508  -7.734
   22    HA   MET   1           HA       MET   1 -17.822  -0.351  -6.068
   23    HB2  MET   1           HB2      MET   1 -16.305   1.237  -8.137
   24    HB3  MET   1           HB1      MET   1 -15.631   0.761  -6.585
   25    HG2  MET   1           HG2      MET   1 -16.533  -1.036  -8.820
   26    HG3  MET   1           HG1      MET   1 -14.892  -0.796  -8.225
   27    HE1  MET   1           HE1      MET   1 -14.157  -1.500  -5.695
   28    HE2  MET   1           HE2      MET   1 -15.219  -2.379  -4.598
   29    HE3  MET   1           HE3      MET   1 -15.583  -0.708  -5.025
   30    H    VAL   2           HN       VAL   2 -19.786   1.052  -5.409
   31    HA   VAL   2           HA       VAL   2 -19.157   3.837  -4.964
   32    HB   VAL   2           HB       VAL   2 -21.481   3.023  -5.405
   33   HG11  VAL   2          HG11      VAL   2 -21.420   0.974  -4.106
   34   HG12  VAL   2          HG12      VAL   2 -22.751   2.007  -3.582
   35   HG13  VAL   2          HG13      VAL   2 -21.279   1.907  -2.614
   36   HG21  VAL   2          HG21      VAL   2 -21.039   4.505  -2.820
   37   HG22  VAL   2          HG22      VAL   2 -22.565   4.437  -3.698
   38   HG23  VAL   2          HG23      VAL   2 -21.159   5.204  -4.435
   39    H    SER   3           HN       SER   3 -18.407   0.922  -3.512
   40    HA   SER   3           HA       SER   3 -18.398   1.561  -0.778
   41    HB2  SER   3           HB2      SER   3 -16.506  -0.287  -2.254
   42    HB3  SER   3           HB1      SER   3 -16.909  -0.342  -0.538
   43    HG   SER   3           HG       SER   3 -19.114  -0.744  -1.212
   44    H    SER   4           HN       SER   4 -17.092   2.812   0.403
   45    HA   SER   4           HA       SER   4 -15.064   4.352  -0.981
   46    HB2  SER   4           HB2      SER   4 -16.038   4.571   1.876
   47    HB3  SER   4           HB1      SER   4 -15.063   5.755   1.007
   48    HG   SER   4           HG       SER   4 -17.744   4.986   0.489
   49    H    ALA   5           HN       ALA   5 -13.465   2.783  -1.291
   50    HA   ALA   5           HA       ALA   5 -11.643   2.479   0.914
   51    HB1  ALA   5           HB1      ALA   5 -11.546   0.054   0.878
   52    HB2  ALA   5           HB2      ALA   5 -12.829  -0.002  -0.329
   53    HB3  ALA   5           HB3      ALA   5 -13.175   0.582   1.298
   54    H    VAL   6           HN       VAL   6  -9.651   1.669   0.315
   55    HA   VAL   6           HA       VAL   6  -9.065   2.313  -2.473
   56    HB   VAL   6           HB       VAL   6  -8.013   3.512  -0.457
   57   HG11  VAL   6          HG11      VAL   6  -6.112   2.501   0.590
   58   HG12  VAL   6          HG12      VAL   6  -6.272   1.059  -0.407
   59   HG13  VAL   6          HG13      VAL   6  -7.500   1.437   0.798
   60   HG21  VAL   6          HG21      VAL   6  -7.249   3.780  -2.725
   61   HG22  VAL   6          HG22      VAL   6  -6.246   2.339  -2.580
   62   HG23  VAL   6          HG23      VAL   6  -5.886   3.766  -1.608
   63    H    LYS   7           HN       LYS   7  -7.512   0.969  -3.627
   64    HA   LYS   7           HA       LYS   7  -7.664  -1.833  -2.774
   65    HB2  LYS   7           HB2      LYS   7  -6.836  -0.701  -5.451
   66    HB3  LYS   7           HB1      LYS   7  -7.072  -2.399  -5.062
   67    HG2  LYS   7           HG2      LYS   7  -9.232  -0.311  -4.997
   68    HG3  LYS   7           HG1      LYS   7  -8.944  -1.442  -6.321
   69    HD2  LYS   7           HD2      LYS   7  -9.257  -3.307  -4.680
   70    HD3  LYS   7           HD1      LYS   7  -9.752  -2.099  -3.492
   71    HE2  LYS   7           HE2      LYS   7 -11.585  -1.412  -4.926
   72    HE3  LYS   7           HE1      LYS   7 -11.068  -2.558  -6.161
   73    HZ1  LYS   7           HZ1      LYS   7 -12.875  -3.487  -4.908
   74    HZ2  LYS   7           HZ2      LYS   7 -12.068  -3.224  -3.446
   75    HZ3  LYS   7           HZ3      LYS   7 -11.467  -4.353  -4.551
   76    H    CYS   8           HN       CYS   8  -5.776  -3.191  -2.951
   77    HA   CYS   8           HA       CYS   8  -3.489  -2.086  -1.740
   78    HB2  CYS   8           HB2      CYS   8  -4.169  -4.474  -1.604
   79    HB3  CYS   8           HB1      CYS   8  -3.713  -4.675  -3.285
   80    H    GLY   9           HN       GLY   9  -2.111  -0.716  -2.671
   81    HA2  GLY   9           HA2      GLY   9  -1.884  -0.554  -5.544
   82    HA3  GLY   9           HA1      GLY   9  -1.063   0.462  -4.368
   83    H    ILE  10           HN       ILE  10  -0.843  -2.985  -4.073
   84    HA   ILE  10           HA       ILE  10   1.860  -2.885  -5.226
   85    HB   ILE  10           HB       ILE  10   1.078  -4.512  -2.807
   86   HG12  ILE  10          HG12      ILE  10   2.486  -1.852  -3.064
   87   HG13  ILE  10          HG11      ILE  10   1.038  -2.223  -2.140
   88   HG21  ILE  10          HG21      ILE  10   2.878  -5.490  -4.139
   89   HG22  ILE  10          HG22      ILE  10   3.486  -4.901  -2.592
   90   HG23  ILE  10          HG23      ILE  10   3.769  -3.970  -4.062
   91   HD11  ILE  10          HD11      ILE  10   3.025  -1.892  -0.746
   92   HD12  ILE  10          HD12      ILE  10   3.775  -3.282  -1.531
   93   HD13  ILE  10          HD13      ILE  10   2.318  -3.496  -0.565
   94    H    CYS  11           HN       CYS  11  -0.980  -4.895  -4.527
   95    HA   CYS  11           HA       CYS  11  -0.060  -6.689  -6.676
   96    HB2  CYS  11           HB2      CYS  11  -1.149  -8.559  -5.619
   97    HB3  CYS  11           HB1      CYS  11  -0.098  -7.790  -4.437
   98    H    ARG  12           HN       ARG  12  -2.411  -4.549  -5.591
   99    HA   ARG  12           HA       ARG  12  -4.434  -3.861  -6.286
  100    HB2  ARG  12           HB2      ARG  12  -3.324  -4.984  -8.847
  101    HB3  ARG  12           HB1      ARG  12  -4.900  -4.206  -8.781
  102    HG2  ARG  12           HG2      ARG  12  -3.467  -2.507  -9.456
  103    HG3  ARG  12           HG1      ARG  12  -3.667  -2.225  -7.728
  104    HD2  ARG  12           HD2      ARG  12  -1.531  -3.430  -7.341
  105    HD3  ARG  12           HD1      ARG  12  -1.320  -3.536  -9.090
  106    HE   ARG  12           HE       ARG  12  -1.753  -0.857  -8.149
  107   HH11  ARG  12          HH11      ARG  12   0.677  -3.318  -8.708
  108   HH12  ARG  12          HH12      ARG  12   1.981  -2.180  -8.819
  109   HH21  ARG  12          HH21      ARG  12  -0.037   0.640  -8.312
  110   HH22  ARG  12          HH22      ARG  12   1.571   0.068  -8.616
  111    H    GLY  13           HN       GLY  13  -4.224  -6.510  -5.103
  112    HA2  GLY  13           HA2      GLY  13  -6.116  -8.182  -6.516
  113    HA3  GLY  13           HA1      GLY  13  -5.342  -8.542  -4.980
  114    H    VAL  14           HN       VAL  14  -6.089  -7.098  -3.128
  115    HA   VAL  14           HA       VAL  14  -8.978  -6.603  -3.394
  116    HB   VAL  14           HB       VAL  14  -9.313  -7.263  -1.089
  117   HG11  VAL  14          HG11      VAL  14  -8.801  -9.652  -1.241
  118   HG12  VAL  14          HG12      VAL  14  -7.722  -9.327  -2.596
  119   HG13  VAL  14          HG13      VAL  14  -9.453  -9.019  -2.753
  120   HG21  VAL  14          HG21      VAL  14  -6.353  -7.826  -1.016
  121   HG22  VAL  14          HG22      VAL  14  -7.503  -8.249   0.252
  122   HG23  VAL  14          HG23      VAL  14  -7.199  -6.554  -0.135
  123    H    ASP  15           HN       ASP  15  -9.469  -5.397  -1.023
  124    HA   ASP  15           HA       ASP  15  -8.672  -2.754  -1.437
  125    HB2  ASP  15           HB2      ASP  15  -9.725  -2.287   0.742
  126    HB3  ASP  15           HB1      ASP  15 -10.738  -3.306  -0.273
  127    H    GLY  16           HN       GLY  16  -7.268  -1.407  -0.393
  128    HA2  GLY  16           HA2      GLY  16  -4.986  -2.683   0.904
  129    HA3  GLY  16           HA1      GLY  16  -5.081  -1.011   0.361
  130    H    LYS  17           HN       LYS  17  -6.473  -3.229   2.723
  131    HA   LYS  17           HA       LYS  17  -7.515  -1.243   4.439
  132    HB2  LYS  17           HB2      LYS  17  -7.605  -3.141   6.100
  133    HB3  LYS  17           HB1      LYS  17  -8.432  -3.423   4.574
  134    HG2  LYS  17           HG2      LYS  17  -6.720  -4.846   3.798
  135    HG3  LYS  17           HG1      LYS  17  -5.628  -4.369   5.096
  136    HD2  LYS  17           HD2      LYS  17  -6.362  -6.372   5.912
  137    HD3  LYS  17           HD1      LYS  17  -7.576  -5.298   6.608
  138    HE2  LYS  17           HE2      LYS  17  -7.879  -6.905   4.073
  139    HE3  LYS  17           HE1      LYS  17  -8.580  -7.307   5.637
  140    HZ1  LYS  17           HZ1      LYS  17  -9.239  -4.962   3.930
  141    HZ2  LYS  17           HZ2      LYS  17  -9.815  -5.180   5.511
  142    HZ3  LYS  17           HZ3      LYS  17 -10.239  -6.279   4.302
  143    H    TYR  18           HN       TYR  18  -4.356  -2.580   4.090
  144    HA   TYR  18           HA       TYR  18  -3.485  -1.492   6.669
  145    HB2  TYR  18           HB2      TYR  18  -2.304  -3.443   4.713
  146    HB3  TYR  18           HB1      TYR  18  -1.287  -2.670   5.919
  147    HD1  TYR  18           HD1      TYR  18  -4.768  -3.661   6.581
  148    HD2  TYR  18           HD2      TYR  18  -0.673  -4.708   7.005
  149    HE1  TYR  18           HE1      TYR  18  -5.394  -5.441   8.144
  150    HE2  TYR  18           HE2      TYR  18  -1.284  -6.485   8.589
  151    HH   TYR  18           HH       TYR  18  -3.081  -7.088  10.074
  152    H    LYS  19           HN       LYS  19  -1.673  -0.021   6.749
  153    HA   LYS  19           HA       LYS  19  -1.216   1.412   4.223
  154    HB2  LYS  19           HB2      LYS  19  -3.023   2.429   5.714
  155    HB3  LYS  19           HB1      LYS  19  -1.744   2.802   6.849
  156    HG2  LYS  19           HG2      LYS  19  -1.673   3.765   4.018
  157    HG3  LYS  19           HG1      LYS  19  -2.547   4.628   5.271
  158    HD2  LYS  19           HD2      LYS  19  -0.311   4.515   6.564
  159    HD3  LYS  19           HD1      LYS  19   0.386   4.169   4.977
  160    HE2  LYS  19           HE2      LYS  19   0.527   6.518   5.312
  161    HE3  LYS  19           HE1      LYS  19  -0.750   6.224   4.132
  162    HZ1  LYS  19           HZ1      LYS  19  -1.418   7.868   5.768
  163    HZ2  LYS  19           HZ2      LYS  19  -1.165   6.765   7.021
  164    HZ3  LYS  19           HZ3      LYS  19  -2.387   6.489   5.887
  165    H    CYS  20           HN       CYS  20   0.752   2.441   4.005
  166    HA   CYS  20           HA       CYS  20   2.809   1.647   5.949
  167    HB2  CYS  20           HB2      CYS  20   3.091   0.936   3.570
  168    HB3  CYS  20           HB1      CYS  20   3.163   2.626   3.109
  169    HA   PRO  21           HA       PRO  21   2.499   6.005   7.094
  170    HB2  PRO  21           HB2      PRO  21   4.137   5.830   9.256
  171    HB3  PRO  21           HB1      PRO  21   2.445   5.321   9.283
  172    HG2  PRO  21           HG2      PRO  21   4.918   3.661   8.947
  173    HG3  PRO  21           HG1      PRO  21   3.489   3.348   9.950
  174    HD2  PRO  21           HD2      PRO  21   3.840   2.159   7.557
  175    HD3  PRO  21           HD1      PRO  21   2.233   2.614   8.155
  176    H    LYS  22           HN       LYS  22   5.169   4.249   5.982
  177    HA   LYS  22           HA       LYS  22   7.134   6.323   6.408
  178    HB2  LYS  22           HB2      LYS  22   7.370   3.850   4.695
  179    HB3  LYS  22           HB1      LYS  22   8.686   4.844   5.302
  180    HG2  LYS  22           HG2      LYS  22   6.814   3.194   6.983
  181    HG3  LYS  22           HG1      LYS  22   8.464   2.754   6.542
  182    HD2  LYS  22           HD2      LYS  22   7.672   5.180   8.155
  183    HD3  LYS  22           HD1      LYS  22   8.301   3.675   8.823
  184    HE2  LYS  22           HE2      LYS  22  10.376   3.994   7.538
  185    HE3  LYS  22           HE1      LYS  22   9.745   5.520   6.923
  186    HZ1  LYS  22           HZ1      LYS  22   9.668   6.366   9.175
  187    HZ2  LYS  22           HZ2      LYS  22  11.233   5.852   8.798
  188    HZ3  LYS  22           HZ3      LYS  22  10.245   4.895   9.780
  189    H    CYS  23           HN       CYS  23   5.464   4.899   3.611
  190    HA   CYS  23           HA       CYS  23   6.426   7.159   1.990
  191    HB2  CYS  23           HB2      CYS  23   6.141   5.703   0.044
  192    HB3  CYS  23           HB1      CYS  23   7.165   4.927   1.240
  193    H    GLY  24           HN       GLY  24   3.621   5.279   2.946
  194    HA2  GLY  24           HA2      GLY  24   1.516   6.411   3.233
  195    HA3  GLY  24           HA1      GLY  24   1.907   7.402   1.833
  196    H    VAL  25           HN       VAL  25   2.682   4.076   1.578
  197    HA   VAL  25           HA       VAL  25   0.808   3.824  -0.602
  198    HB   VAL  25           HB       VAL  25   3.215   2.926  -0.560
  199   HG11  VAL  25          HG11      VAL  25   3.257   0.483   0.183
  200   HG12  VAL  25          HG12      VAL  25   1.847   0.893   1.165
  201   HG13  VAL  25          HG13      VAL  25   3.382   1.731   1.417
  202   HG21  VAL  25          HG21      VAL  25   1.680   2.452  -2.372
  203   HG22  VAL  25          HG22      VAL  25   0.970   1.124  -1.454
  204   HG23  VAL  25          HG23      VAL  25   2.644   1.023  -1.999
  205    H    ARG  26           HN       ARG  26  -0.616   2.011  -0.832
  206    HA   ARG  26           HA       ARG  26  -1.757   1.132   1.739
  207    HB2  ARG  26           HB2      ARG  26  -3.081   1.562  -0.947
  208    HB3  ARG  26           HB1      ARG  26  -3.892   0.909   0.470
  209    HG2  ARG  26           HG2      ARG  26  -2.720   3.666   0.183
  210    HG3  ARG  26           HG1      ARG  26  -4.432   3.246   0.183
  211    HD2  ARG  26           HD2      ARG  26  -3.986   2.234   2.492
  212    HD3  ARG  26           HD1      ARG  26  -2.468   3.126   2.443
  213    HE   ARG  26           HE       ARG  26  -5.076   4.178   2.929
  214   HH11  ARG  26          HH11      ARG  26  -1.932   5.002   1.605
  215   HH12  ARG  26          HH12      ARG  26  -2.121   6.698   1.900
  216   HH21  ARG  26          HH21      ARG  26  -5.310   6.393   3.327
  217   HH22  ARG  26          HH22      ARG  26  -4.033   7.489   2.899
  218    H    TYR  27           HN       TYR  27  -1.499  -0.999   2.130
  219    HA   TYR  27           HA       TYR  27  -1.485  -2.805  -0.192
  220    HB2  TYR  27           HB2      TYR  27  -0.185  -4.316   1.626
  221    HB3  TYR  27           HB1      TYR  27   0.614  -3.343   0.411
  222    HD1  TYR  27           HD1      TYR  27  -0.904  -2.666   3.740
  223    HD2  TYR  27           HD2      TYR  27   2.497  -2.312   1.232
  224    HE1  TYR  27           HE1      TYR  27   0.282  -1.474   5.527
  225    HE2  TYR  27           HE2      TYR  27   3.700  -1.129   3.019
  226    HH   TYR  27           HH       TYR  27   2.532  -1.027   6.232
  227    H    CYS  28           HN       CYS  28  -2.282  -4.899   0.163
  228    HA   CYS  28           HA       CYS  28  -4.734  -4.856   1.571
  229    HB2  CYS  28           HB2      CYS  28  -5.013  -7.144   0.707
  230    HB3  CYS  28           HB1      CYS  28  -4.497  -6.038  -0.555
  231    H    SER  29           HN       SER  29  -1.552  -6.158   2.245
  232    HA   SER  29           HA       SER  29  -2.172  -6.709   4.959
  233    HB2  SER  29           HB2      SER  29  -1.912  -9.107   3.121
  234    HB3  SER  29           HB1      SER  29  -1.816  -9.191   4.877
  235    HG   SER  29           HG       SER  29  -4.031  -7.847   4.107
  236    H    LEU  30           HN       LEU  30  -0.283  -8.483   5.706
  237    HA   LEU  30           HA       LEU  30   2.076  -6.958   5.618
  238    HB2  LEU  30           HB2      LEU  30   1.430  -8.493   7.453
  239    HB3  LEU  30           HB1      LEU  30   1.742  -9.853   6.400
  240    HG   LEU  30           HG       LEU  30   4.129  -9.121   6.255
  241   HD11  LEU  30          HD11      LEU  30   3.847  -6.779   6.830
  242   HD12  LEU  30          HD12      LEU  30   4.951  -7.562   7.959
  243   HD13  LEU  30          HD13      LEU  30   3.290  -7.223   8.441
  244   HD21  LEU  30          HD21      LEU  30   4.723  -9.938   8.490
  245   HD22  LEU  30          HD22      LEU  30   3.450 -10.910   7.751
  246   HD23  LEU  30          HD23      LEU  30   3.048  -9.734   9.003
  247    H    LYS  31           HN       LYS  31   0.981  -9.675   3.704
  248    HA   LYS  31           HA       LYS  31   3.353 -10.590   2.618
  249    HB2  LYS  31           HB2      LYS  31   0.663 -10.332   1.273
  250    HB3  LYS  31           HB1      LYS  31   2.000 -11.290   0.655
  251    HG2  LYS  31           HG2      LYS  31   0.558 -11.720   3.260
  252    HG3  LYS  31           HG1      LYS  31   0.390 -12.692   1.798
  253    HD2  LYS  31           HD2      LYS  31   2.899 -12.373   3.451
  254    HD3  LYS  31           HD1      LYS  31   1.847 -13.787   3.420
  255    HE2  LYS  31           HE2      LYS  31   2.352 -14.113   1.049
  256    HE3  LYS  31           HE1      LYS  31   3.403 -12.698   1.076
  257    HZ1  LYS  31           HZ1      LYS  31   4.766 -13.848   2.754
  258    HZ2  LYS  31           HZ2      LYS  31   4.718 -14.670   1.279
  259    HZ3  LYS  31           HZ3      LYS  31   3.798 -15.223   2.583
  260    H    CYS  32           HN       CYS  32   1.367  -7.875   1.517
  261    HA   CYS  32           HA       CYS  32   3.313  -7.228  -0.534
  262    HB2  CYS  32           HB2      CYS  32   0.712  -5.915   0.265
  263    HB3  CYS  32           HB1      CYS  32   1.742  -5.347  -1.044
  264    H    TYR  33           HN       TYR  33   2.513  -6.321   2.687
  265    HA   TYR  33           HA       TYR  33   3.632  -3.785   2.888
  266    HB2  TYR  33           HB2      TYR  33   2.353  -5.029   4.678
  267    HB3  TYR  33           HB1      TYR  33   3.806  -5.968   4.980
  268    HD1  TYR  33           HD1      TYR  33   5.253  -3.009   4.305
  269    HD2  TYR  33           HD2      TYR  33   2.648  -4.675   7.219
  270    HE1  TYR  33           HE1      TYR  33   5.965  -1.286   5.912
  271    HE2  TYR  33           HE2      TYR  33   3.365  -2.977   8.845
  272    HH   TYR  33           HH       TYR  33   5.405  -1.516   9.206
  273    H    LYS  34           HN       LYS  34   5.207  -6.921   3.571
  274    HA   LYS  34           HA       LYS  34   7.787  -5.594   3.646
  275    HB2  LYS  34           HB2      LYS  34   7.033  -8.477   4.115
  276    HB3  LYS  34           HB1      LYS  34   8.657  -7.823   4.296
  277    HG2  LYS  34           HG2      LYS  34   7.726  -6.237   5.997
  278    HG3  LYS  34           HG1      LYS  34   6.216  -7.143   5.914
  279    HD2  LYS  34           HD2      LYS  34   8.921  -8.234   6.692
  280    HD3  LYS  34           HD1      LYS  34   7.582  -7.899   7.787
  281    HE2  LYS  34           HE2      LYS  34   6.241  -9.609   6.728
  282    HE3  LYS  34           HE1      LYS  34   7.497  -9.889   5.525
  283    HZ1  LYS  34           HZ1      LYS  34   8.963 -10.674   7.249
  284    HZ2  LYS  34           HZ2      LYS  34   7.514 -11.545   7.309
  285    HZ3  LYS  34           HZ3      LYS  34   7.816 -10.328   8.442
  286    H    ASP  35           HN       ASP  35   6.824  -5.315   1.174
  287    HA   ASP  35           HA       ASP  35   8.430  -7.171  -0.439
  288    HB2  ASP  35           HB2      ASP  35   6.093  -7.049  -1.150
  289    HB3  ASP  35           HB1      ASP  35   6.178  -5.296  -1.225
  290    H    ALA  36           HN       ALA  36   9.920  -6.224  -1.936
  291    HA   ALA  36           HA       ALA  36  10.482  -3.373  -1.472
  292    HB1  ALA  36           HB1      ALA  36  12.553  -5.557  -1.671
  293    HB2  ALA  36           HB2      ALA  36  12.070  -4.725  -0.194
  294    HB3  ALA  36           HB3      ALA  36  12.874  -3.833  -1.485
  295    H    ALA  37           HN       ALA  37   9.582  -5.596  -3.638
  296    HA   ALA  37           HA       ALA  37  11.189  -4.725  -5.891
  297    HB1  ALA  37           HB1      ALA  37   8.824  -6.588  -5.719
  298    HB2  ALA  37           HB2      ALA  37  10.523  -7.059  -5.751
  299    HB3  ALA  37           HB3      ALA  37   9.791  -6.300  -7.165
  300    H    LYS  38           HN       LYS  38   7.848  -4.593  -4.793
  301    HA   LYS  38           HA       LYS  38   7.266  -2.493  -6.774
  302    HB2  LYS  38           HB2      LYS  38   5.351  -4.264  -5.250
  303    HB3  LYS  38           HB1      LYS  38   4.917  -3.097  -6.493
  304    HG2  LYS  38           HG2      LYS  38   6.104  -4.391  -8.162
  305    HG3  LYS  38           HG1      LYS  38   6.630  -5.535  -6.924
  306    HD2  LYS  38           HD2      LYS  38   4.235  -6.004  -6.445
  307    HD3  LYS  38           HD1      LYS  38   3.808  -4.995  -7.825
  308    HE2  LYS  38           HE2      LYS  38   3.809  -7.340  -8.456
  309    HE3  LYS  38           HE1      LYS  38   5.092  -6.473  -9.296
  310    HZ1  LYS  38           HZ1      LYS  38   6.702  -7.379  -7.808
  311    HZ2  LYS  38           HZ2      LYS  38   5.772  -8.656  -8.400
  312    HZ3  LYS  38           HZ3      LYS  38   5.508  -8.079  -6.836
  313    H    HIS  39           HN       HIS  39   7.127  -3.422  -3.391
  314    HA   HIS  39           HA       HIS  39   6.095  -0.852  -2.551
  315    HB2  HIS  39           HB2      HIS  39   5.660  -2.977  -1.282
  316    HB3  HIS  39           HB1      HIS  39   7.371  -3.032  -0.876
  317    HD1  HIS  39           HD1      HIS  39   7.339  -2.543   1.617
  318    HD2  HIS  39           HD2      HIS  39   5.039   0.108  -0.604
  319    HE1  HIS  39           HE1      HIS  39   6.586  -0.735   3.223
  320    H    VAL  40           HN       VAL  40   7.500   0.706  -3.230
  321    HA   VAL  40           HA       VAL  40  10.346   0.216  -3.072
  322    HB   VAL  40           HB       VAL  40   8.856   2.573  -4.222
  323   HG11  VAL  40          HG11      VAL  40  10.958   3.130  -5.317
  324   HG12  VAL  40          HG12      VAL  40  11.748   1.772  -4.519
  325   HG13  VAL  40          HG13      VAL  40  11.150   3.128  -3.565
  326   HG21  VAL  40          HG21      VAL  40  10.119   0.203  -5.598
  327   HG22  VAL  40          HG22      VAL  40   9.302   1.557  -6.383
  328   HG23  VAL  40          HG23      VAL  40   8.387   0.445  -5.360
  329    H    HIS  41           HN       HIS  41  11.557   0.764  -1.489
  330    HA   HIS  41           HA       HIS  41  11.011   3.198   0.035
  331    HB2  HIS  41           HB2      HIS  41  11.118   0.425   1.081
  332    HB3  HIS  41           HB1      HIS  41  11.960   1.653   2.017
  333    HD1  HIS  41           HD1      HIS  41   9.797   0.521   3.557
  334    HD2  HIS  41           HD2      HIS  41   9.040   3.487   0.741
  335    HE1  HIS  41           HE1      HIS  41   7.664   1.669   4.272
  336    H    LYS  42           HN       LYS  42  12.867   3.710   1.484
  337    HA   LYS  42           HA       LYS  42  15.422   2.526   0.753
  338    HB2  LYS  42           HB2      LYS  42  16.494   4.729   0.526
  339    HB3  LYS  42           HB1      LYS  42  15.255   4.496  -0.699
  340    HG2  LYS  42           HG2      LYS  42  13.702   5.837   0.704
  341    HG3  LYS  42           HG1      LYS  42  15.049   6.165   1.796
  342    HD2  LYS  42           HD2      LYS  42  16.290   7.186  -0.056
  343    HD3  LYS  42           HD1      LYS  42  14.930   6.875  -1.134
  344    HE2  LYS  42           HE2      LYS  42  14.824   9.159  -0.437
  345    HE3  LYS  42           HE1      LYS  42  13.515   8.282   0.351
  346    HZ1  LYS  42           HZ1      LYS  42  16.116   8.957   1.616
  347    HZ2  LYS  42           HZ2      LYS  42  14.803   8.198   2.371
  348    HZ3  LYS  42           HZ3      LYS  42  14.670   9.801   1.857
  349    H    GLU  43           HN       GLU  43  17.124   3.781   2.331
  350    HA   GLU  43           HA       GLU  43  17.821   4.202   4.451
  351    HB2  GLU  43           HB2      GLU  43  14.884   4.653   4.995
  352    HB3  GLU  43           HB1      GLU  43  16.146   4.885   6.196
  353    HG2  GLU  43           HG2      GLU  43  16.027   6.341   3.568
  354    HG3  GLU  43           HG1      GLU  43  15.381   6.970   5.083
  355    H    SER  44           HN       SER  44  14.729   2.469   4.893
  356    HA   SER  44           HA       SER  44  15.957   0.638   6.753
  357    HB2  SER  44           HB2      SER  44  13.182   0.537   5.545
  358    HB3  SER  44           HB1      SER  44  13.735  -0.296   6.998
  359    HG   SER  44           HG       SER  44  14.255   1.997   7.700
  360    H    GLU  45           HN       GLU  45  17.433   0.306   4.664
  361    HA   GLU  45           HA       GLU  45  16.400  -1.642   2.791
  362    HB2  GLU  45           HB2      GLU  45  17.953   0.196   2.142
  363    HB3  GLU  45           HB1      GLU  45  19.196  -0.547   3.134
  364    HG2  GLU  45           HG2      GLU  45  19.203  -2.503   1.709
  365    HG3  GLU  45           HG1      GLU  45  17.897  -1.821   0.738
  366    H    GLN  46           HN       GLN  46  18.454  -1.532   5.614
  367    HA   GLN  46           HA       GLN  46  18.926  -4.426   5.412
  368    HB2  GLN  46           HB2      GLN  46  20.966  -3.140   5.613
  369    HB3  GLN  46           HB1      GLN  46  20.335  -2.277   7.002
  370    HG2  GLN  46           HG2      GLN  46  21.957  -3.930   7.685
  371    HG3  GLN  46           HG1      GLN  46  20.359  -4.336   8.306
  372   HE21  GLN  46          HE21      GLN  46  21.293  -4.851   4.983
  373   HE22  GLN  46          HE22      GLN  46  21.318  -6.579   5.059
  Start of MODEL   19
    1    H1   GLY  -2           HT1      GLY  -2 -26.918  10.080  -1.051
    2    H2   GLY  -2           HT2      GLY  -2 -27.669   8.702  -1.675
    3    H3   GLY  -2           HT3      GLY  -2 -28.405  10.214  -1.844
    4    HA2  GLY  -2           HA1      GLY  -2 -27.402   9.522  -3.919
    5    HA3  GLY  -2           HA2      GLY  -2 -26.636  10.969  -3.278
    6    HA   PRO  -1           HA       PRO  -1 -23.249   8.052  -4.447
    7    HB2  PRO  -1           HB2      PRO  -1 -21.814  10.628  -4.671
    8    HB3  PRO  -1           HB1      PRO  -1 -21.917   9.295  -5.824
    9    HG2  PRO  -1           HG2      PRO  -1 -23.216  11.599  -6.234
   10    HG3  PRO  -1           HG1      PRO  -1 -23.915  10.041  -6.712
   11    HD2  PRO  -1           HD2      PRO  -1 -24.545  11.761  -4.348
   12    HD3  PRO  -1           HD1      PRO  -1 -25.638  10.807  -5.373
   13    H    HIS   0           HN       HIS   0 -21.875   7.212  -3.039
   14    HA   HIS   0           HA       HIS   0 -20.873   8.877  -0.824
   15    HB2  HIS   0           HB2      HIS   0 -21.762   5.992  -0.806
   16    HB3  HIS   0           HB1      HIS   0 -20.709   6.648   0.438
   17    HD1  HIS   0           HD1      HIS   0 -21.760   8.354   2.098
   18    HD2  HIS   0           HD2      HIS   0 -24.438   6.699  -0.615
   19    HE1  HIS   0           HE1      HIS   0 -24.046   8.891   2.993
   20    HE2  HIS   0           HE2      HIS   0 -25.644   7.735   1.426
   21    H    MET   1           HN       MET   1 -19.664   8.650  -3.322
   22    HA   MET   1           HA       MET   1 -17.671   8.269  -4.335
   23    HB2  MET   1           HB2      MET   1 -16.844   7.249  -1.609
   24    HB3  MET   1           HB1      MET   1 -15.748   7.445  -2.968
   25    HG2  MET   1           HG2      MET   1 -16.109   9.824  -2.976
   26    HG3  MET   1           HG1      MET   1 -17.330   9.674  -1.715
   27    HE1  MET   1           HE1      MET   1 -13.950   7.682  -1.945
   28    HE2  MET   1           HE2      MET   1 -12.862   8.726  -1.029
   29    HE3  MET   1           HE3      MET   1 -13.507   9.268  -2.575
   30    H    VAL   2           HN       VAL   2 -17.860   6.793  -5.867
   31    HA   VAL   2           HA       VAL   2 -18.689   4.147  -5.613
   32    HB   VAL   2           HB       VAL   2 -16.841   5.345  -7.690
   33   HG11  VAL   2          HG11      VAL   2 -18.420   2.777  -7.780
   34   HG12  VAL   2          HG12      VAL   2 -16.667   2.912  -7.674
   35   HG13  VAL   2          HG13      VAL   2 -17.507   3.471  -9.119
   36   HG21  VAL   2          HG21      VAL   2 -19.029   6.441  -7.530
   37   HG22  VAL   2          HG22      VAL   2 -19.820   4.880  -7.745
   38   HG23  VAL   2          HG23      VAL   2 -18.847   5.562  -9.046
   39    H    SER   3           HN       SER   3 -15.475   5.570  -5.472
   40    HA   SER   3           HA       SER   3 -14.300   3.020  -4.708
   41    HB2  SER   3           HB2      SER   3 -13.024   5.762  -4.895
   42    HB3  SER   3           HB1      SER   3 -12.180   4.219  -4.749
   43    HG   SER   3           HG       SER   3 -13.547   3.770  -6.794
   44    H    SER   4           HN       SER   4 -15.845   3.006  -2.828
   45    HA   SER   4           HA       SER   4 -15.549   4.868  -0.701
   46    HB2  SER   4           HB2      SER   4 -16.673   2.054  -0.667
   47    HB3  SER   4           HB1      SER   4 -16.869   3.248   0.615
   48    HG   SER   4           HG       SER   4 -17.622   4.343  -1.707
   49    H    ALA   5           HN       ALA   5 -13.922   1.934  -1.598
   50    HA   ALA   5           HA       ALA   5 -12.229   2.174   0.795
   51    HB1  ALA   5           HB1      ALA   5 -12.020  -0.264   0.854
   52    HB2  ALA   5           HB2      ALA   5 -13.160  -0.395  -0.484
   53    HB3  ALA   5           HB3      ALA   5 -13.698   0.236   1.072
   54    H    VAL   6           HN       VAL   6 -10.114   1.554   0.556
   55    HA   VAL   6           HA       VAL   6  -9.179   2.198  -2.102
   56    HB   VAL   6           HB       VAL   6  -8.424   3.327   0.072
   57   HG11  VAL   6          HG11      VAL   6  -6.736   0.843   0.235
   58   HG12  VAL   6          HG12      VAL   6  -7.975   1.349   1.383
   59   HG13  VAL   6          HG13      VAL   6  -6.504   2.305   1.193
   60   HG21  VAL   6          HG21      VAL   6  -6.405   2.316  -1.900
   61   HG22  VAL   6          HG22      VAL   6  -6.187   3.693  -0.818
   62   HG23  VAL   6          HG23      VAL   6  -7.432   3.738  -2.067
   63    H    LYS   7           HN       LYS   7  -7.603   0.955  -3.193
   64    HA   LYS   7           HA       LYS   7  -7.736  -1.894  -2.491
   65    HB2  LYS   7           HB2      LYS   7  -6.962  -0.652  -5.134
   66    HB3  LYS   7           HB1      LYS   7  -7.260  -2.353  -4.813
   67    HG2  LYS   7           HG2      LYS   7  -9.345  -0.206  -4.573
   68    HG3  LYS   7           HG1      LYS   7  -9.102  -1.215  -5.999
   69    HD2  LYS   7           HD2      LYS   7  -9.489  -3.217  -4.587
   70    HD3  LYS   7           HD1      LYS   7  -9.859  -2.146  -3.232
   71    HE2  LYS   7           HE2      LYS   7 -11.694  -1.167  -4.502
   72    HE3  LYS   7           HE1      LYS   7 -11.312  -2.210  -5.869
   73    HZ1  LYS   7           HZ1      LYS   7 -11.856  -4.128  -4.542
   74    HZ2  LYS   7           HZ2      LYS   7 -13.161  -3.056  -4.535
   75    HZ3  LYS   7           HZ3      LYS   7 -12.149  -3.161  -3.187
   76    H    CYS   8           HN       CYS   8  -5.824  -3.198  -2.842
   77    HA   CYS   8           HA       CYS   8  -3.506  -2.115  -1.662
   78    HB2  CYS   8           HB2      CYS   8  -4.186  -4.528  -1.672
   79    HB3  CYS   8           HB1      CYS   8  -3.717  -4.605  -3.358
   80    H    GLY   9           HN       GLY   9  -2.109  -0.746  -2.569
   81    HA2  GLY   9           HA2      GLY   9  -2.082  -0.365  -5.435
   82    HA3  GLY   9           HA1      GLY   9  -1.173   0.555  -4.245
   83    H    ILE  10           HN       ILE  10  -0.914  -2.857  -4.028
   84    HA   ILE  10           HA       ILE  10   1.728  -2.715  -5.309
   85    HB   ILE  10           HB       ILE  10   0.969  -4.419  -2.932
   86   HG12  ILE  10          HG12      ILE  10   2.456  -1.802  -3.164
   87   HG13  ILE  10          HG11      ILE  10   1.043  -2.165  -2.183
   88   HG21  ILE  10          HG21      ILE  10   3.633  -3.955  -4.264
   89   HG22  ILE  10          HG22      ILE  10   2.685  -5.439  -4.334
   90   HG23  ILE  10          HG23      ILE  10   3.369  -4.900  -2.800
   91   HD11  ILE  10          HD11      ILE  10   3.790  -3.290  -1.736
   92   HD12  ILE  10          HD12      ILE  10   2.372  -3.542  -0.721
   93   HD13  ILE  10          HD13      ILE  10   3.082  -1.935  -0.861
   94    H    CYS  11           HN       CYS  11  -0.985  -4.896  -4.502
   95    HA   CYS  11           HA       CYS  11  -0.120  -6.546  -6.778
   96    HB2  CYS  11           HB2      CYS  11  -1.242  -8.439  -5.786
   97    HB3  CYS  11           HB1      CYS  11  -0.165  -7.719  -4.597
   98    H    ARG  12           HN       ARG  12  -2.432  -4.406  -5.664
   99    HA   ARG  12           HA       ARG  12  -4.375  -3.590  -6.439
  100    HB2  ARG  12           HB2      ARG  12  -3.176  -4.675  -8.980
  101    HB3  ARG  12           HB1      ARG  12  -4.677  -3.758  -8.966
  102    HG2  ARG  12           HG2      ARG  12  -2.059  -2.735  -7.882
  103    HG3  ARG  12           HG1      ARG  12  -2.670  -2.402  -9.505
  104    HD2  ARG  12           HD2      ARG  12  -4.601  -1.289  -8.603
  105    HD3  ARG  12           HD1      ARG  12  -4.148  -1.740  -6.963
  106    HE   ARG  12           HE       ARG  12  -2.140  -0.177  -8.287
  107   HH11  ARG  12          HH11      ARG  12  -5.173  -0.018  -6.549
  108   HH12  ARG  12          HH12      ARG  12  -4.877   1.567  -5.909
  109   HH21  ARG  12          HH21      ARG  12  -1.751   1.932  -7.461
  110   HH22  ARG  12          HH22      ARG  12  -2.942   2.681  -6.439
  111    H    GLY  13           HN       GLY  13  -4.432  -6.261  -5.341
  112    HA2  GLY  13           HA2      GLY  13  -6.461  -7.614  -6.955
  113    HA3  GLY  13           HA1      GLY  13  -5.622  -8.287  -5.567
  114    H    VAL  14           HN       VAL  14  -6.102  -7.074  -3.459
  115    HA   VAL  14           HA       VAL  14  -9.006  -6.632  -3.372
  116    HB   VAL  14           HB       VAL  14  -9.060  -7.552  -1.140
  117   HG11  VAL  14          HG11      VAL  14  -9.266  -9.131  -2.977
  118   HG12  VAL  14          HG12      VAL  14  -8.440  -9.874  -1.606
  119   HG13  VAL  14          HG13      VAL  14  -7.515  -9.339  -3.007
  120   HG21  VAL  14          HG21      VAL  14  -6.867  -6.791  -0.373
  121   HG22  VAL  14          HG22      VAL  14  -6.090  -7.983  -1.416
  122   HG23  VAL  14          HG23      VAL  14  -7.097  -8.513  -0.069
  123    H    ASP  15           HN       ASP  15  -9.280  -5.687  -0.835
  124    HA   ASP  15           HA       ASP  15  -8.711  -2.959  -1.166
  125    HB2  ASP  15           HB2      ASP  15  -9.676  -2.652   1.034
  126    HB3  ASP  15           HB1      ASP  15 -10.625  -3.836   0.144
  127    H    GLY  16           HN       GLY  16  -7.294  -1.589  -0.183
  128    HA2  GLY  16           HA2      GLY  16  -4.878  -2.793   0.939
  129    HA3  GLY  16           HA1      GLY  16  -5.071  -1.120   0.429
  130    H    LYS  17           HN       LYS  17  -6.401  -3.385   2.796
  131    HA   LYS  17           HA       LYS  17  -7.416  -1.531   4.586
  132    HB2  LYS  17           HB2      LYS  17  -7.154  -3.404   6.278
  133    HB3  LYS  17           HB1      LYS  17  -8.098  -3.758   4.838
  134    HG2  LYS  17           HG2      LYS  17  -6.241  -4.937   3.858
  135    HG3  LYS  17           HG1      LYS  17  -5.207  -4.503   5.223
  136    HD2  LYS  17           HD2      LYS  17  -5.953  -6.750   5.536
  137    HD3  LYS  17           HD1      LYS  17  -6.781  -5.724   6.707
  138    HE2  LYS  17           HE2      LYS  17  -8.268  -7.398   5.648
  139    HE3  LYS  17           HE1      LYS  17  -8.786  -5.735   5.385
  140    HZ1  LYS  17           HZ1      LYS  17  -8.033  -5.789   3.174
  141    HZ2  LYS  17           HZ2      LYS  17  -8.857  -7.248   3.396
  142    HZ3  LYS  17           HZ3      LYS  17  -7.167  -7.226   3.405
  143    H    TYR  18           HN       TYR  18  -4.150  -2.771   4.288
  144    HA   TYR  18           HA       TYR  18  -3.337  -1.380   6.728
  145    HB2  TYR  18           HB2      TYR  18  -1.960  -3.371   4.934
  146    HB3  TYR  18           HB1      TYR  18  -1.102  -2.517   6.205
  147    HD1  TYR  18           HD1      TYR  18  -4.548  -3.471   6.819
  148    HD2  TYR  18           HD2      TYR  18  -0.500  -4.727   7.139
  149    HE1  TYR  18           HE1      TYR  18  -5.225  -5.253   8.346
  150    HE2  TYR  18           HE2      TYR  18  -1.171  -6.514   8.689
  151    HH   TYR  18           HH       TYR  18  -4.465  -7.376   9.158
  152    H    LYS  19           HN       LYS  19  -1.612   0.175   6.687
  153    HA   LYS  19           HA       LYS  19  -1.125   1.381   4.054
  154    HB2  LYS  19           HB2      LYS  19  -3.056   2.449   5.362
  155    HB3  LYS  19           HB1      LYS  19  -1.832   3.021   6.483
  156    HG2  LYS  19           HG2      LYS  19  -1.587   3.631   3.570
  157    HG3  LYS  19           HG1      LYS  19  -2.681   4.564   4.581
  158    HD2  LYS  19           HD2      LYS  19  -0.698   4.956   6.115
  159    HD3  LYS  19           HD1      LYS  19   0.300   4.293   4.814
  160    HE2  LYS  19           HE2      LYS  19  -0.433   6.017   3.307
  161    HE3  LYS  19           HE1      LYS  19  -1.578   6.631   4.499
  162    HZ1  LYS  19           HZ1      LYS  19   0.413   7.979   4.428
  163    HZ2  LYS  19           HZ2      LYS  19   1.381   6.639   4.773
  164    HZ3  LYS  19           HZ3      LYS  19   0.286   7.210   5.926
  165    H    CYS  20           HN       CYS  20   0.807   2.474   3.829
  166    HA   CYS  20           HA       CYS  20   2.798   1.854   5.896
  167    HB2  CYS  20           HB2      CYS  20   3.149   1.103   3.522
  168    HB3  CYS  20           HB1      CYS  20   3.272   2.792   3.059
  169    HA   PRO  21           HA       PRO  21   2.249   6.205   6.941
  170    HB2  PRO  21           HB2      PRO  21   3.876   6.156   9.126
  171    HB3  PRO  21           HB1      PRO  21   2.205   5.585   9.140
  172    HG2  PRO  21           HG2      PRO  21   4.739   4.010   8.870
  173    HG3  PRO  21           HG1      PRO  21   3.310   3.665   9.864
  174    HD2  PRO  21           HD2      PRO  21   3.720   2.429   7.513
  175    HD3  PRO  21           HD1      PRO  21   2.094   2.873   8.061
  176    H    LYS  22           HN       LYS  22   5.076   4.612   5.928
  177    HA   LYS  22           HA       LYS  22   6.801   6.913   6.218
  178    HB2  LYS  22           HB2      LYS  22   7.280   4.326   4.741
  179    HB3  LYS  22           HB1      LYS  22   8.490   5.549   5.093
  180    HG2  LYS  22           HG2      LYS  22   7.028   3.826   7.069
  181    HG3  LYS  22           HG1      LYS  22   8.734   3.736   6.630
  182    HD2  LYS  22           HD2      LYS  22   8.845   6.179   7.445
  183    HD3  LYS  22           HD1      LYS  22   7.302   5.833   8.228
  184    HE2  LYS  22           HE2      LYS  22   9.942   4.464   8.682
  185    HE3  LYS  22           HE1      LYS  22   9.044   5.463   9.819
  186    HZ1  LYS  22           HZ1      LYS  22   8.754   3.159  10.356
  187    HZ2  LYS  22           HZ2      LYS  22   8.233   2.802   8.792
  188    HZ3  LYS  22           HZ3      LYS  22   7.282   3.773   9.796
  189    H    CYS  23           HN       CYS  23   5.702   5.000   3.417
  190    HA   CYS  23           HA       CYS  23   6.500   7.205   1.683
  191    HB2  CYS  23           HB2      CYS  23   6.330   5.557  -0.122
  192    HB3  CYS  23           HB1      CYS  23   7.296   4.923   1.198
  193    H    GLY  24           HN       GLY  24   3.686   5.397   2.709
  194    HA2  GLY  24           HA2      GLY  24   1.569   6.504   2.859
  195    HA3  GLY  24           HA1      GLY  24   1.999   7.444   1.440
  196    H    VAL  25           HN       VAL  25   2.699   4.080   1.467
  197    HA   VAL  25           HA       VAL  25   0.887   3.733  -0.767
  198    HB   VAL  25           HB       VAL  25   3.319   2.902  -0.670
  199   HG11  VAL  25          HG11      VAL  25   3.472   1.772   1.356
  200   HG12  VAL  25          HG12      VAL  25   3.426   0.491   0.146
  201   HG13  VAL  25          HG13      VAL  25   1.978   0.872   1.081
  202   HG21  VAL  25          HG21      VAL  25   2.809   0.954  -2.068
  203   HG22  VAL  25          HG22      VAL  25   1.806   2.345  -2.483
  204   HG23  VAL  25          HG23      VAL  25   1.128   1.020  -1.536
  205    H    ARG  26           HN       ARG  26  -0.499   1.870  -0.909
  206    HA   ARG  26           HA       ARG  26  -1.590   1.029   1.687
  207    HB2  ARG  26           HB2      ARG  26  -2.920   1.725  -0.917
  208    HB3  ARG  26           HB1      ARG  26  -3.703   0.619   0.203
  209    HG2  ARG  26           HG2      ARG  26  -2.799   3.381   0.967
  210    HG3  ARG  26           HG1      ARG  26  -4.422   3.006   0.377
  211    HD2  ARG  26           HD2      ARG  26  -4.673   1.381   2.219
  212    HD3  ARG  26           HD1      ARG  26  -3.092   1.861   2.830
  213    HE   ARG  26           HE       ARG  26  -4.363   4.205   2.775
  214   HH11  ARG  26          HH11      ARG  26  -5.411   1.071   3.931
  215   HH12  ARG  26          HH12      ARG  26  -6.380   1.726   5.215
  216   HH21  ARG  26          HH21      ARG  26  -5.646   5.069   4.464
  217   HH22  ARG  26          HH22      ARG  26  -6.517   3.999   5.511
  218    H    TYR  27           HN       TYR  27  -1.589  -1.101   2.079
  219    HA   TYR  27           HA       TYR  27  -1.431  -2.925  -0.210
  220    HB2  TYR  27           HB2      TYR  27  -0.036  -4.354   1.611
  221    HB3  TYR  27           HB1      TYR  27   0.701  -3.365   0.367
  222    HD1  TYR  27           HD1      TYR  27  -0.791  -2.697   3.711
  223    HD2  TYR  27           HD2      TYR  27   2.551  -2.232   1.143
  224    HE1  TYR  27           HE1      TYR  27   0.364  -1.416   5.457
  225    HE2  TYR  27           HE2      TYR  27   3.720  -0.957   2.890
  226    HH   TYR  27           HH       TYR  27   2.516  -0.791   6.126
  227    H    CYS  28           HN       CYS  28  -2.237  -4.977   0.119
  228    HA   CYS  28           HA       CYS  28  -4.678  -4.950   1.544
  229    HB2  CYS  28           HB2      CYS  28  -4.993  -7.198   0.596
  230    HB3  CYS  28           HB1      CYS  28  -4.465  -6.046  -0.623
  231    H    SER  29           HN       SER  29  -1.518  -5.974   2.375
  232    HA   SER  29           HA       SER  29  -2.216  -6.701   4.991
  233    HB2  SER  29           HB2      SER  29  -3.165  -8.700   3.769
  234    HB3  SER  29           HB1      SER  29  -1.532  -9.090   3.247
  235    HG   SER  29           HG       SER  29  -2.626  -9.922   5.404
  236    H    LEU  30           HN       LEU  30  -0.262  -8.375   5.743
  237    HA   LEU  30           HA       LEU  30   2.063  -6.747   5.607
  238    HB2  LEU  30           HB2      LEU  30   1.375  -8.121   7.568
  239    HB3  LEU  30           HB1      LEU  30   1.769  -9.561   6.653
  240    HG   LEU  30           HG       LEU  30   4.128  -8.791   6.532
  241   HD11  LEU  30          HD11      LEU  30   3.747  -6.402   6.796
  242   HD12  LEU  30          HD12      LEU  30   4.862  -7.004   8.019
  243   HD13  LEU  30          HD13      LEU  30   3.186  -6.665   8.446
  244   HD21  LEU  30          HD21      LEU  30   3.043  -9.008   9.334
  245   HD22  LEU  30          HD22      LEU  30   4.688  -9.364   8.809
  246   HD23  LEU  30          HD23      LEU  30   3.350 -10.369   8.256
  247    H    LYS  31           HN       LYS  31   0.853  -9.319   3.709
  248    HA   LYS  31           HA       LYS  31   3.234 -10.492   2.780
  249    HB2  LYS  31           HB2      LYS  31   0.594 -10.180   1.340
  250    HB3  LYS  31           HB1      LYS  31   1.880 -11.287   0.880
  251    HG2  LYS  31           HG2      LYS  31   0.332 -11.365   3.463
  252    HG3  LYS  31           HG1      LYS  31   0.089 -12.430   2.075
  253    HD2  LYS  31           HD2      LYS  31   2.382 -13.268   2.333
  254    HD3  LYS  31           HD1      LYS  31   2.605 -12.216   3.731
  255    HE2  LYS  31           HE2      LYS  31   0.744 -13.379   4.859
  256    HE3  LYS  31           HE1      LYS  31   0.614 -14.465   3.477
  257    HZ1  LYS  31           HZ1      LYS  31   2.987 -14.169   5.237
  258    HZ2  LYS  31           HZ2      LYS  31   2.883 -15.199   3.899
  259    HZ3  LYS  31           HZ3      LYS  31   1.899 -15.464   5.246
  260    H    CYS  32           HN       CYS  32   1.280  -7.873   1.366
  261    HA   CYS  32           HA       CYS  32   3.305  -7.306  -0.603
  262    HB2  CYS  32           HB2      CYS  32   0.732  -5.888   0.111
  263    HB3  CYS  32           HB1      CYS  32   1.802  -5.382  -1.191
  264    H    TYR  33           HN       TYR  33   2.553  -6.314   2.591
  265    HA   TYR  33           HA       TYR  33   3.754  -3.797   2.720
  266    HB2  TYR  33           HB2      TYR  33   2.402  -4.987   4.520
  267    HB3  TYR  33           HB1      TYR  33   3.861  -5.893   4.896
  268    HD1  TYR  33           HD1      TYR  33   5.367  -3.021   4.132
  269    HD2  TYR  33           HD2      TYR  33   2.564  -4.433   7.002
  270    HE1  TYR  33           HE1      TYR  33   6.028  -1.207   5.663
  271    HE2  TYR  33           HE2      TYR  33   3.236  -2.643   8.548
  272    HH   TYR  33           HH       TYR  33   5.168   0.002   7.568
  273    H    LYS  34           HN       LYS  34   5.181  -6.958   3.582
  274    HA   LYS  34           HA       LYS  34   7.825  -5.783   3.537
  275    HB2  LYS  34           HB2      LYS  34   6.920  -8.605   4.113
  276    HB3  LYS  34           HB1      LYS  34   8.583  -8.044   4.241
  277    HG2  LYS  34           HG2      LYS  34   7.825  -6.373   5.920
  278    HG3  LYS  34           HG1      LYS  34   6.223  -7.108   5.861
  279    HD2  LYS  34           HD2      LYS  34   8.782  -8.501   6.656
  280    HD3  LYS  34           HD1      LYS  34   7.527  -7.939   7.760
  281    HE2  LYS  34           HE2      LYS  34   5.928  -9.458   6.633
  282    HE3  LYS  34           HE1      LYS  34   7.249 -10.065   5.641
  283    HZ1  LYS  34           HZ1      LYS  34   7.075 -10.239   8.599
  284    HZ2  LYS  34           HZ2      LYS  34   8.363 -10.802   7.662
  285    HZ3  LYS  34           HZ3      LYS  34   6.838 -11.515   7.514
  286    H    ASP  35           HN       ASP  35   6.908  -5.448   1.126
  287    HA   ASP  35           HA       ASP  35   8.280  -7.446  -0.532
  288    HB2  ASP  35           HB2      ASP  35   5.982  -7.139  -1.211
  289    HB3  ASP  35           HB1      ASP  35   6.166  -5.391  -1.212
  290    H    ALA  36           HN       ALA  36   9.791  -6.690  -2.069
  291    HA   ALA  36           HA       ALA  36  10.709  -3.922  -1.664
  292    HB1  ALA  36           HB1      ALA  36  12.470  -6.343  -2.010
  293    HB2  ALA  36           HB2      ALA  36  12.181  -5.490  -0.495
  294    HB3  ALA  36           HB3      ALA  36  13.014  -4.676  -1.819
  295    H    ALA  37           HN       ALA  37   9.162  -5.585  -3.805
  296    HA   ALA  37           HA       ALA  37  10.859  -4.949  -6.124
  297    HB1  ALA  37           HB1      ALA  37   9.266  -6.337  -7.405
  298    HB2  ALA  37           HB2      ALA  37   8.367  -6.643  -5.917
  299    HB3  ALA  37           HB3      ALA  37  10.023  -7.225  -6.083
  300    H    LYS  38           HN       LYS  38   7.727  -4.395  -4.673
  301    HA   LYS  38           HA       LYS  38   7.282  -2.170  -6.553
  302    HB2  LYS  38           HB2      LYS  38   5.264  -3.875  -5.108
  303    HB3  LYS  38           HB1      LYS  38   4.873  -2.489  -6.117
  304    HG2  LYS  38           HG2      LYS  38   5.732  -3.612  -8.065
  305    HG3  LYS  38           HG1      LYS  38   6.283  -4.970  -7.078
  306    HD2  LYS  38           HD2      LYS  38   3.965  -5.410  -6.425
  307    HD3  LYS  38           HD1      LYS  38   3.428  -4.078  -7.446
  308    HE2  LYS  38           HE2      LYS  38   4.330  -5.230  -9.406
  309    HE3  LYS  38           HE1      LYS  38   4.850  -6.566  -8.381
  310    HZ1  LYS  38           HZ1      LYS  38   2.038  -5.679  -8.708
  311    HZ2  LYS  38           HZ2      LYS  38   2.570  -7.017  -7.824
  312    HZ3  LYS  38           HZ3      LYS  38   2.731  -6.999  -9.505
  313    H    HIS  39           HN       HIS  39   7.168  -3.297  -3.230
  314    HA   HIS  39           HA       HIS  39   6.428  -0.676  -2.231
  315    HB2  HIS  39           HB2      HIS  39   5.762  -2.859  -1.102
  316    HB3  HIS  39           HB1      HIS  39   7.446  -3.019  -0.608
  317    HD1  HIS  39           HD1      HIS  39   7.326  -2.533   1.900
  318    HD2  HIS  39           HD2      HIS  39   5.261   0.224  -0.424
  319    HE1  HIS  39           HE1      HIS  39   6.598  -0.675   3.463
  320    H    VAL  40           HN       VAL  40   7.997   0.760  -2.755
  321    HA   VAL  40           HA       VAL  40  10.787  -0.032  -2.398
  322    HB   VAL  40           HB       VAL  40   9.708   2.438  -3.754
  323   HG11  VAL  40          HG11      VAL  40  12.450   1.181  -3.774
  324   HG12  VAL  40          HG12      VAL  40  11.999   2.702  -3.005
  325   HG13  VAL  40          HG13      VAL  40  11.951   2.553  -4.761
  326   HG21  VAL  40          HG21      VAL  40  10.574  -0.195  -4.944
  327   HG22  VAL  40          HG22      VAL  40  10.205   1.262  -5.863
  328   HG23  VAL  40          HG23      VAL  40   8.939   0.464  -4.930
  329    H    HIS  41           HN       HIS  41  11.820   0.489  -0.658
  330    HA   HIS  41           HA       HIS  41  11.433   3.151   0.516
  331    HB2  HIS  41           HB2      HIS  41  11.366   0.509   1.900
  332    HB3  HIS  41           HB1      HIS  41  12.114   1.863   2.728
  333    HD1  HIS  41           HD1      HIS  41   9.834   0.881   4.202
  334    HD2  HIS  41           HD2      HIS  41   9.260   3.462   0.991
  335    HE1  HIS  41           HE1      HIS  41   7.632   2.056   4.595
  336    H    LYS  42           HN       LYS  42  13.275   3.054  -1.216
  337    HA   LYS  42           HA       LYS  42  15.465   3.336  -1.688
  338    HB2  LYS  42           HB2      LYS  42  15.771   3.108   1.305
  339    HB3  LYS  42           HB1      LYS  42  17.113   3.427   0.223
  340    HG2  LYS  42           HG2      LYS  42  14.688   5.167   0.607
  341    HG3  LYS  42           HG1      LYS  42  16.308   5.475   1.231
  342    HD2  LYS  42           HD2      LYS  42  15.456   5.402  -1.666
  343    HD3  LYS  42           HD1      LYS  42  15.947   6.819  -0.739
  344    HE2  LYS  42           HE2      LYS  42  17.681   4.473  -1.513
  345    HE3  LYS  42           HE1      LYS  42  17.755   6.102  -2.179
  346    HZ1  LYS  42           HZ1      LYS  42  18.386   6.908   0.030
  347    HZ2  LYS  42           HZ2      LYS  42  19.492   5.779  -0.568
  348    HZ3  LYS  42           HZ3      LYS  42  18.381   5.320   0.617
  349    H    GLU  43           HN       GLU  43  16.911   2.027  -2.553
  350    HA   GLU  43           HA       GLU  43  16.876  -0.791  -1.854
  351    HB2  GLU  43           HB2      GLU  43  18.210   0.772  -4.071
  352    HB3  GLU  43           HB1      GLU  43  18.409  -0.960  -3.858
  353    HG2  GLU  43           HG2      GLU  43  15.821   0.480  -4.381
  354    HG3  GLU  43           HG1      GLU  43  16.733  -0.486  -5.540
  355    H    SER  44           HN       SER  44  19.594  -1.319  -2.684
  356    HA   SER  44           HA       SER  44  20.952  -1.320  -0.297
  357    HB2  SER  44           HB2      SER  44  23.023  -1.602  -1.775
  358    HB3  SER  44           HB1      SER  44  21.714  -2.762  -2.010
  359    HG   SER  44           HG       SER  44  22.459  -1.956  -4.004
  360    H    GLU  45           HN       GLU  45  21.202   1.021  -2.918
  361    HA   GLU  45           HA       GLU  45  21.905   3.054  -0.957
  362    HB2  GLU  45           HB2      GLU  45  24.064   2.285  -1.864
  363    HB3  GLU  45           HB1      GLU  45  23.490   2.601  -3.494
  364    HG2  GLU  45           HG2      GLU  45  23.232   4.987  -2.883
  365    HG3  GLU  45           HG1      GLU  45  23.968   4.623  -1.324
  366    H    GLN  46           HN       GLN  46  21.344   2.350  -4.364
  367    HA   GLN  46           HA       GLN  46  20.202   3.391  -6.019
  368    HB2  GLN  46           HB2      GLN  46  18.310   2.833  -4.509
  369    HB3  GLN  46           HB1      GLN  46  18.474   4.412  -3.757
  370    HG2  GLN  46           HG2      GLN  46  17.945   5.485  -5.880
  371    HG3  GLN  46           HG1      GLN  46  17.796   3.906  -6.645
  372   HE21  GLN  46          HE21      GLN  46  16.001   2.642  -6.229
  373   HE22  GLN  46          HE22      GLN  46  14.581   3.277  -5.468
  Start of MODEL   20
    1    H1   GLY  -2           HT1      GLY  -2 -25.689   5.474  13.918
    2    H2   GLY  -2           HT2      GLY  -2 -25.480   7.143  14.057
    3    H3   GLY  -2           HT3      GLY  -2 -24.137   6.137  13.844
    4    HA2  GLY  -2           HA1      GLY  -2 -26.297   6.606  11.869
    5    HA3  GLY  -2           HA2      GLY  -2 -24.666   7.259  11.787
    6    HA   PRO  -1           HA       PRO  -1 -24.860   3.047   9.699
    7    HB2  PRO  -1           HB2      PRO  -1 -24.580   3.808   7.127
    8    HB3  PRO  -1           HB1      PRO  -1 -26.160   3.714   7.913
    9    HG2  PRO  -1           HG2      PRO  -1 -24.455   6.103   7.361
   10    HG3  PRO  -1           HG1      PRO  -1 -26.214   5.924   7.222
   11    HD2  PRO  -1           HD2      PRO  -1 -24.954   7.118   9.347
   12    HD3  PRO  -1           HD1      PRO  -1 -26.549   6.351   9.444
   13    H    HIS   0           HN       HIS   0 -22.992   1.967   9.505
   14    HA   HIS   0           HA       HIS   0 -20.511   3.435   9.548
   15    HB2  HIS   0           HB2      HIS   0 -20.854   1.397  10.934
   16    HB3  HIS   0           HB1      HIS   0 -20.958   0.442   9.460
   17    HD1  HIS   0           HD1      HIS   0 -18.774  -0.242   8.350
   18    HD2  HIS   0           HD2      HIS   0 -18.250   2.428  11.496
   19    HE1  HIS   0           HE1      HIS   0 -16.299  -0.173   8.777
   20    HE2  HIS   0           HE2      HIS   0 -16.033   1.293  10.807
   21    H    MET   1           HN       MET   1 -19.224   3.840   7.867
   22    HA   MET   1           HA       MET   1 -19.450   2.258   5.435
   23    HB2  MET   1           HB2      MET   1 -19.725   4.238   4.017
   24    HB3  MET   1           HB1      MET   1 -21.088   4.042   5.108
   25    HG2  MET   1           HG2      MET   1 -20.088   5.748   6.595
   26    HG3  MET   1           HG1      MET   1 -18.812   5.988   5.404
   27    HE1  MET   1           HE1      MET   1 -20.524   5.626   2.689
   28    HE2  MET   1           HE2      MET   1 -19.291   6.869   2.903
   29    HE3  MET   1           HE3      MET   1 -20.897   7.310   2.325
   30    H    VAL   2           HN       VAL   2 -17.550   2.023   4.422
   31    HA   VAL   2           HA       VAL   2 -15.241   3.417   5.499
   32    HB   VAL   2           HB       VAL   2 -13.964   1.908   3.875
   33   HG11  VAL   2          HG11      VAL   2 -14.153  -0.033   5.356
   34   HG12  VAL   2          HG12      VAL   2 -15.635   0.635   6.042
   35   HG13  VAL   2          HG13      VAL   2 -14.101   1.475   6.271
   36   HG21  VAL   2          HG21      VAL   2 -15.133  -0.089   3.095
   37   HG22  VAL   2          HG22      VAL   2 -15.840   1.367   2.396
   38   HG23  VAL   2          HG23      VAL   2 -16.653   0.543   3.726
   39    H    SER   3           HN       SER   3 -16.112   5.435   4.673
   40    HA   SER   3           HA       SER   3 -16.529   6.141   2.047
   41    HB2  SER   3           HB2      SER   3 -15.191   7.896   4.111
   42    HB3  SER   3           HB1      SER   3 -16.182   8.413   2.747
   43    HG   SER   3           HG       SER   3 -16.945   7.680   5.227
   44    H    SER   4           HN       SER   4 -15.305   6.294   0.306
   45    HA   SER   4           HA       SER   4 -13.539   6.247  -1.096
   46    HB2  SER   4           HB2      SER   4 -12.129   7.675   1.171
   47    HB3  SER   4           HB1      SER   4 -11.530   7.551  -0.482
   48    HG   SER   4           HG       SER   4 -14.023   8.714   0.242
   49    H    ALA   5           HN       ALA   5 -13.578   3.928  -0.858
   50    HA   ALA   5           HA       ALA   5 -11.653   2.681   0.892
   51    HB1  ALA   5           HB1      ALA   5 -13.723   1.490   0.390
   52    HB2  ALA   5           HB2      ALA   5 -12.332   0.578  -0.201
   53    HB3  ALA   5           HB3      ALA   5 -13.328   1.501  -1.328
   54    H    VAL   6           HN       VAL   6 -10.109   1.089  -0.115
   55    HA   VAL   6           HA       VAL   6  -8.817   2.304  -2.423
   56    HB   VAL   6           HB       VAL   6  -8.118   3.373  -0.206
   57   HG11  VAL   6          HG11      VAL   6  -7.902   1.353   1.116
   58   HG12  VAL   6          HG12      VAL   6  -6.371   2.225   1.050
   59   HG13  VAL   6          HG13      VAL   6  -6.608   0.784   0.061
   60   HG21  VAL   6          HG21      VAL   6  -6.956   3.711  -2.275
   61   HG22  VAL   6          HG22      VAL   6  -6.039   2.223  -2.035
   62   HG23  VAL   6          HG23      VAL   6  -5.811   3.588  -0.942
   63    H    LYS   7           HN       LYS   7  -7.338   0.942  -3.461
   64    HA   LYS   7           HA       LYS   7  -7.554  -1.880  -2.656
   65    HB2  LYS   7           HB2      LYS   7  -6.765  -0.782  -5.355
   66    HB3  LYS   7           HB1      LYS   7  -7.110  -2.456  -4.951
   67    HG2  LYS   7           HG2      LYS   7  -9.139  -0.246  -4.786
   68    HG3  LYS   7           HG1      LYS   7  -8.912  -1.272  -6.201
   69    HD2  LYS   7           HD2      LYS   7  -9.501  -2.356  -3.460
   70    HD3  LYS   7           HD1      LYS   7 -10.762  -1.950  -4.622
   71    HE2  LYS   7           HE2      LYS   7  -9.679  -3.518  -6.232
   72    HE3  LYS   7           HE1      LYS   7  -8.574  -3.999  -4.946
   73    HZ1  LYS   7           HZ1      LYS   7 -10.497  -4.714  -3.642
   74    HZ2  LYS   7           HZ2      LYS   7 -10.406  -5.541  -5.112
   75    HZ3  LYS   7           HZ3      LYS   7 -11.529  -4.296  -4.912
   76    H    CYS   8           HN       CYS   8  -5.688  -3.216  -2.814
   77    HA   CYS   8           HA       CYS   8  -3.351  -2.128  -1.724
   78    HB2  CYS   8           HB2      CYS   8  -4.074  -4.520  -1.618
   79    HB3  CYS   8           HB1      CYS   8  -3.614  -4.694  -3.300
   80    H    GLY   9           HN       GLY   9  -2.057  -0.709  -2.718
   81    HA2  GLY   9           HA2      GLY   9  -1.929  -0.499  -5.579
   82    HA3  GLY   9           HA1      GLY   9  -1.031   0.466  -4.416
   83    H    ILE  10           HN       ILE  10  -0.802  -2.928  -4.081
   84    HA   ILE  10           HA       ILE  10   1.881  -2.853  -5.284
   85    HB   ILE  10           HB       ILE  10   1.076  -4.510  -2.893
   86   HG12  ILE  10          HG12      ILE  10   2.386  -1.793  -3.082
   87   HG13  ILE  10          HG11      ILE  10   0.939  -2.235  -2.184
   88   HG21  ILE  10          HG21      ILE  10   3.829  -3.770  -3.830
   89   HG22  ILE  10          HG22      ILE  10   3.008  -5.231  -4.380
   90   HG23  ILE  10          HG23      ILE  10   3.374  -5.013  -2.665
   91   HD11  ILE  10          HD11      ILE  10   2.875  -1.860  -0.742
   92   HD12  ILE  10          HD12      ILE  10   3.716  -3.179  -1.556
   93   HD13  ILE  10          HD13      ILE  10   2.262  -3.507  -0.623
   94    H    CYS  11           HN       CYS  11  -1.013  -4.808  -4.680
   95    HA   CYS  11           HA       CYS  11  -0.073  -6.610  -6.808
   96    HB2  CYS  11           HB2      CYS  11  -1.089  -8.508  -5.741
   97    HB3  CYS  11           HB1      CYS  11  -0.041  -7.715  -4.570
   98    H    ARG  12           HN       ARG  12  -2.468  -4.520  -5.703
   99    HA   ARG  12           HA       ARG  12  -4.480  -3.844  -6.442
  100    HB2  ARG  12           HB2      ARG  12  -3.449  -5.109  -8.974
  101    HB3  ARG  12           HB1      ARG  12  -4.984  -4.255  -8.897
  102    HG2  ARG  12           HG2      ARG  12  -3.478  -2.670  -9.695
  103    HG3  ARG  12           HG1      ARG  12  -3.644  -2.289  -7.982
  104    HD2  ARG  12           HD2      ARG  12  -1.574  -3.551  -7.535
  105    HD3  ARG  12           HD1      ARG  12  -1.399  -3.831  -9.267
  106    HE   ARG  12           HE       ARG  12  -1.613  -1.053  -8.501
  107   HH11  ARG  12          HH11      ARG  12   0.524  -3.755  -9.115
  108   HH12  ARG  12          HH12      ARG  12   1.909  -2.757  -9.419
  109   HH21  ARG  12          HH21      ARG  12   0.223   0.268  -8.902
  110   HH22  ARG  12          HH22      ARG  12   1.739  -0.477  -9.295
  111    H    GLY  13           HN       GLY  13  -4.283  -6.456  -5.152
  112    HA2  GLY  13           HA2      GLY  13  -6.282  -8.093  -6.458
  113    HA3  GLY  13           HA1      GLY  13  -5.492  -8.429  -4.924
  114    H    VAL  14           HN       VAL  14  -6.172  -7.109  -3.068
  115    HA   VAL  14           HA       VAL  14  -9.043  -6.524  -3.265
  116    HB   VAL  14           HB       VAL  14  -9.295  -7.241  -0.954
  117   HG11  VAL  14          HG11      VAL  14  -7.805  -9.279  -2.598
  118   HG12  VAL  14          HG12      VAL  14  -9.530  -8.924  -2.701
  119   HG13  VAL  14          HG13      VAL  14  -8.860  -9.632  -1.230
  120   HG21  VAL  14          HG21      VAL  14  -7.117  -6.603  -0.088
  121   HG22  VAL  14          HG22      VAL  14  -6.345  -7.860  -1.056
  122   HG23  VAL  14          HG23      VAL  14  -7.437  -8.304   0.257
  123    H    ASP  15           HN       ASP  15  -9.527  -5.308  -0.922
  124    HA   ASP  15           HA       ASP  15  -8.638  -2.696  -1.248
  125    HB2  ASP  15           HB2      ASP  15  -9.617  -2.264   0.964
  126    HB3  ASP  15           HB1      ASP  15 -10.679  -3.259  -0.023
  127    H    GLY  16           HN       GLY  16  -7.112  -1.453  -0.293
  128    HA2  GLY  16           HA2      GLY  16  -4.859  -2.821   0.935
  129    HA3  GLY  16           HA1      GLY  16  -4.924  -1.126   0.462
  130    H    LYS  17           HN       LYS  17  -6.363  -3.388   2.755
  131    HA   LYS  17           HA       LYS  17  -7.417  -1.519   4.527
  132    HB2  LYS  17           HB2      LYS  17  -7.185  -3.481   6.189
  133    HB3  LYS  17           HB1      LYS  17  -8.234  -3.660   4.789
  134    HG2  LYS  17           HG2      LYS  17  -6.601  -4.960   3.642
  135    HG3  LYS  17           HG1      LYS  17  -5.387  -4.627   4.878
  136    HD2  LYS  17           HD2      LYS  17  -6.271  -6.840   5.195
  137    HD3  LYS  17           HD1      LYS  17  -6.790  -5.798   6.519
  138    HE2  LYS  17           HE2      LYS  17  -8.603  -7.258   5.709
  139    HE3  LYS  17           HE1      LYS  17  -8.977  -5.547   5.523
  140    HZ1  LYS  17           HZ1      LYS  17  -9.536  -6.999   3.581
  141    HZ2  LYS  17           HZ2      LYS  17  -7.881  -7.199   3.320
  142    HZ3  LYS  17           HZ3      LYS  17  -8.576  -5.656   3.214
  143    H    TYR  18           HN       TYR  18  -4.184  -2.840   4.321
  144    HA   TYR  18           HA       TYR  18  -3.415  -1.498   6.802
  145    HB2  TYR  18           HB2      TYR  18  -2.112  -3.565   5.046
  146    HB3  TYR  18           HB1      TYR  18  -1.160  -2.661   6.211
  147    HD1  TYR  18           HD1      TYR  18  -4.606  -4.060   6.534
  148    HD2  TYR  18           HD2      TYR  18  -0.561  -4.201   7.840
  149    HE1  TYR  18           HE1      TYR  18  -5.229  -5.686   8.266
  150    HE2  TYR  18           HE2      TYR  18  -1.176  -5.822   9.582
  151    HH   TYR  18           HH       TYR  18  -3.146  -6.529  10.832
  152    H    LYS  19           HN       LYS  19  -1.733   0.088   6.832
  153    HA   LYS  19           HA       LYS  19  -1.224   1.317   4.205
  154    HB2  LYS  19           HB2      LYS  19  -3.115   2.362   5.618
  155    HB3  LYS  19           HB1      LYS  19  -1.836   2.933   6.672
  156    HG2  LYS  19           HG2      LYS  19  -1.788   3.564   3.749
  157    HG3  LYS  19           HG1      LYS  19  -2.789   4.494   4.851
  158    HD2  LYS  19           HD2      LYS  19  -0.538   4.648   6.218
  159    HD3  LYS  19           HD1      LYS  19   0.171   4.348   4.631
  160    HE2  LYS  19           HE2      LYS  19  -1.621   6.619   5.464
  161    HE3  LYS  19           HE1      LYS  19   0.049   6.705   4.915
  162    HZ1  LYS  19           HZ1      LYS  19  -2.289   5.923   3.262
  163    HZ2  LYS  19           HZ2      LYS  19  -0.691   5.962   2.718
  164    HZ3  LYS  19           HZ3      LYS  19  -1.463   7.393   3.177
  165    H    CYS  20           HN       CYS  20   0.709   2.399   3.971
  166    HA   CYS  20           HA       CYS  20   2.722   1.810   6.021
  167    HB2  CYS  20           HB2      CYS  20   3.146   1.093   3.669
  168    HB3  CYS  20           HB1      CYS  20   3.159   2.787   3.195
  169    HA   PRO  21           HA       PRO  21   2.101   6.156   7.066
  170    HB2  PRO  21           HB2      PRO  21   3.676   6.116   9.288
  171    HB3  PRO  21           HB1      PRO  21   2.006   5.539   9.269
  172    HG2  PRO  21           HG2      PRO  21   4.553   3.975   9.067
  173    HG3  PRO  21           HG1      PRO  21   3.101   3.624  10.021
  174    HD2  PRO  21           HD2      PRO  21   3.592   2.391   7.678
  175    HD3  PRO  21           HD1      PRO  21   1.944   2.803   8.192
  176    H    LYS  22           HN       LYS  22   4.884   4.555   6.029
  177    HA   LYS  22           HA       LYS  22   6.663   6.820   6.352
  178    HB2  LYS  22           HB2      LYS  22   7.078   4.213   4.883
  179    HB3  LYS  22           HB1      LYS  22   8.321   5.410   5.222
  180    HG2  LYS  22           HG2      LYS  22   6.786   3.831   7.268
  181    HG3  LYS  22           HG1      LYS  22   8.451   3.535   6.762
  182    HD2  LYS  22           HD2      LYS  22   8.988   5.870   7.509
  183    HD3  LYS  22           HD1      LYS  22   7.370   5.949   8.202
  184    HE2  LYS  22           HE2      LYS  22   7.865   4.098   9.672
  185    HE3  LYS  22           HE1      LYS  22   9.445   3.885   8.920
  186    HZ1  LYS  22           HZ1      LYS  22   9.694   5.074  10.968
  187    HZ2  LYS  22           HZ2      LYS  22   8.549   6.227  10.507
  188    HZ3  LYS  22           HZ3      LYS  22  10.027   6.133   9.692
  189    H    CYS  23           HN       CYS  23   5.568   4.924   3.537
  190    HA   CYS  23           HA       CYS  23   6.245   7.196   1.834
  191    HB2  CYS  23           HB2      CYS  23   5.998   5.626  -0.050
  192    HB3  CYS  23           HB1      CYS  23   7.131   5.026   1.148
  193    H    GLY  24           HN       GLY  24   3.537   5.344   2.967
  194    HA2  GLY  24           HA2      GLY  24   1.407   6.416   3.175
  195    HA3  GLY  24           HA1      GLY  24   1.755   7.304   1.698
  196    H    VAL  25           HN       VAL  25   2.717   4.078   1.488
  197    HA   VAL  25           HA       VAL  25   0.830   3.681  -0.622
  198    HB   VAL  25           HB       VAL  25   3.264   2.849  -0.523
  199   HG11  VAL  25          HG11      VAL  25   1.908   0.654   1.033
  200   HG12  VAL  25          HG12      VAL  25   3.251   1.676   1.557
  201   HG13  VAL  25          HG13      VAL  25   3.489   0.505   0.263
  202   HG21  VAL  25          HG21      VAL  25   1.086   0.987  -1.446
  203   HG22  VAL  25          HG22      VAL  25   2.763   0.966  -1.989
  204   HG23  VAL  25          HG23      VAL  25   1.738   2.355  -2.346
  205    H    ARG  26           HN       ARG  26  -0.564   1.861  -0.818
  206    HA   ARG  26           HA       ARG  26  -1.678   0.944   1.740
  207    HB2  ARG  26           HB2      ARG  26  -2.973   1.673  -0.867
  208    HB3  ARG  26           HB1      ARG  26  -3.772   0.573   0.247
  209    HG2  ARG  26           HG2      ARG  26  -2.857   3.340   0.981
  210    HG3  ARG  26           HG1      ARG  26  -4.493   2.936   0.453
  211    HD2  ARG  26           HD2      ARG  26  -4.580   1.275   2.325
  212    HD3  ARG  26           HD1      ARG  26  -3.054   1.938   2.901
  213    HE   ARG  26           HE       ARG  26  -4.578   4.131   2.762
  214   HH11  ARG  26          HH11      ARG  26  -5.249   0.958   4.067
  215   HH12  ARG  26          HH12      ARG  26  -6.260   1.557   5.344
  216   HH21  ARG  26          HH21      ARG  26  -5.932   4.925   4.433
  217   HH22  ARG  26          HH22      ARG  26  -6.661   3.808   5.542
  218    H    TYR  27           HN       TYR  27  -1.564  -1.159   2.127
  219    HA   TYR  27           HA       TYR  27  -1.423  -2.976  -0.174
  220    HB2  TYR  27           HB2      TYR  27  -0.047  -4.407   1.662
  221    HB3  TYR  27           HB1      TYR  27   0.701  -3.407   0.433
  222    HD1  TYR  27           HD1      TYR  27  -0.811  -2.809   3.797
  223    HD2  TYR  27           HD2      TYR  27   2.504  -2.226   1.207
  224    HE1  TYR  27           HE1      TYR  27   0.331  -1.514   5.548
  225    HE2  TYR  27           HE2      TYR  27   3.654  -0.946   2.957
  226    HH   TYR  27           HH       TYR  27   2.548  -0.891   6.193
  227    H    CYS  28           HN       CYS  28  -2.171  -5.064   0.177
  228    HA   CYS  28           HA       CYS  28  -4.631  -5.051   1.596
  229    HB2  CYS  28           HB2      CYS  28  -4.943  -7.269   0.602
  230    HB3  CYS  28           HB1      CYS  28  -4.410  -6.107  -0.601
  231    H    SER  29           HN       SER  29  -1.448  -6.075   2.368
  232    HA   SER  29           HA       SER  29  -2.109  -6.903   4.966
  233    HB2  SER  29           HB2      SER  29  -3.040  -8.853   3.645
  234    HB3  SER  29           HB1      SER  29  -1.401  -9.205   3.123
  235    HG   SER  29           HG       SER  29  -2.296 -10.339   5.061
  236    H    LEU  30           HN       LEU  30  -0.136  -8.402   5.803
  237    HA   LEU  30           HA       LEU  30   2.205  -6.849   5.601
  238    HB2  LEU  30           HB2      LEU  30   1.594  -8.321   7.517
  239    HB3  LEU  30           HB1      LEU  30   1.935  -9.715   6.517
  240    HG   LEU  30           HG       LEU  30   4.299  -8.907   6.316
  241   HD11  LEU  30          HD11      LEU  30   3.915  -6.557   6.839
  242   HD12  LEU  30          HD12      LEU  30   5.093  -7.271   7.938
  243   HD13  LEU  30          HD13      LEU  30   3.438  -6.995   8.477
  244   HD21  LEU  30          HD21      LEU  30   4.938  -9.637   8.565
  245   HD22  LEU  30          HD22      LEU  30   3.692 -10.669   7.865
  246   HD23  LEU  30          HD23      LEU  30   3.262  -9.473   9.086
  247    H    LYS  31           HN       LYS  31   0.967  -9.484   3.763
  248    HA   LYS  31           HA       LYS  31   3.209 -10.610   2.618
  249    HB2  LYS  31           HB2      LYS  31   0.524 -10.035   1.359
  250    HB3  LYS  31           HB1      LYS  31   1.735 -11.103   0.665
  251    HG2  LYS  31           HG2      LYS  31   0.444 -11.481   3.358
  252    HG3  LYS  31           HG1      LYS  31  -0.043 -12.305   1.874
  253    HD2  LYS  31           HD2      LYS  31   2.687 -12.479   3.151
  254    HD3  LYS  31           HD1      LYS  31   1.420 -13.696   3.290
  255    HE2  LYS  31           HE2      LYS  31   1.458 -13.986   0.848
  256    HE3  LYS  31           HE1      LYS  31   2.760 -12.805   0.740
  257    HZ1  LYS  31           HZ1      LYS  31   2.891 -15.396   2.179
  258    HZ2  LYS  31           HZ2      LYS  31   4.143 -14.264   2.083
  259    HZ3  LYS  31           HZ3      LYS  31   3.608 -15.054   0.686
  260    H    CYS  32           HN       CYS  32   1.352  -7.851   1.349
  261    HA   CYS  32           HA       CYS  32   3.403  -7.303  -0.608
  262    HB2  CYS  32           HB2      CYS  32   0.827  -5.866   0.056
  263    HB3  CYS  32           HB1      CYS  32   1.893  -5.445  -1.283
  264    H    TYR  33           HN       TYR  33   2.587  -6.303   2.565
  265    HA   TYR  33           HA       TYR  33   3.770  -3.784   2.736
  266    HB2  TYR  33           HB2      TYR  33   2.451  -5.059   4.516
  267    HB3  TYR  33           HB1      TYR  33   3.939  -5.922   4.867
  268    HD1  TYR  33           HD1      TYR  33   5.381  -3.013   4.182
  269    HD2  TYR  33           HD2      TYR  33   2.566  -4.529   6.983
  270    HE1  TYR  33           HE1      TYR  33   5.986  -1.217   5.763
  271    HE2  TYR  33           HE2      TYR  33   3.176  -2.756   8.571
  272    HH   TYR  33           HH       TYR  33   5.044  -1.270   9.036
  273    H    LYS  34           HN       LYS  34   5.197  -6.968   3.408
  274    HA   LYS  34           HA       LYS  34   7.859  -5.813   3.415
  275    HB2  LYS  34           HB2      LYS  34   6.924  -8.634   3.948
  276    HB3  LYS  34           HB1      LYS  34   8.580  -8.069   4.123
  277    HG2  LYS  34           HG2      LYS  34   7.803  -6.452   5.825
  278    HG3  LYS  34           HG1      LYS  34   6.187  -7.143   5.697
  279    HD2  LYS  34           HD2      LYS  34   7.307  -8.103   7.600
  280    HD3  LYS  34           HD1      LYS  34   7.114  -9.338   6.356
  281    HE2  LYS  34           HE2      LYS  34   9.329  -9.456   7.360
  282    HE3  LYS  34           HE1      LYS  34   9.436  -9.003   5.663
  283    HZ1  LYS  34           HZ1      LYS  34  10.900  -7.690   7.103
  284    HZ2  LYS  34           HZ2      LYS  34   9.552  -7.089   7.925
  285    HZ3  LYS  34           HZ3      LYS  34   9.775  -6.727   6.290
  286    H    ASP  35           HN       ASP  35   6.739  -5.607   0.932
  287    HA   ASP  35           HA       ASP  35   8.335  -7.521  -0.633
  288    HB2  ASP  35           HB2      ASP  35   5.986  -7.455  -1.323
  289    HB3  ASP  35           HB1      ASP  35   6.065  -5.708  -1.503
  290    H    ALA  36           HN       ALA  36  10.076  -6.746  -1.740
  291    HA   ALA  36           HA       ALA  36  10.534  -3.841  -1.565
  292    HB1  ALA  36           HB1      ALA  36  12.594  -6.043  -1.616
  293    HB2  ALA  36           HB2      ALA  36  12.078  -5.146  -0.188
  294    HB3  ALA  36           HB3      ALA  36  12.921  -4.314  -1.496
  295    H    ALA  37           HN       ALA  37   9.202  -5.432  -3.701
  296    HA   ALA  37           HA       ALA  37  11.019  -4.767  -5.932
  297    HB1  ALA  37           HB1      ALA  37   8.694  -6.691  -5.856
  298    HB2  ALA  37           HB2      ALA  37  10.404  -7.122  -5.877
  299    HB3  ALA  37           HB3      ALA  37   9.676  -6.333  -7.277
  300    H    LYS  38           HN       LYS  38   7.681  -4.712  -4.822
  301    HA   LYS  38           HA       LYS  38   7.004  -2.617  -6.762
  302    HB2  LYS  38           HB2      LYS  38   5.304  -4.138  -4.795
  303    HB3  LYS  38           HB1      LYS  38   4.699  -2.977  -5.969
  304    HG2  LYS  38           HG2      LYS  38   6.114  -5.543  -6.642
  305    HG3  LYS  38           HG1      LYS  38   4.369  -5.312  -6.637
  306    HD2  LYS  38           HD2      LYS  38   4.656  -3.520  -8.330
  307    HD3  LYS  38           HD1      LYS  38   6.374  -3.927  -8.403
  308    HE2  LYS  38           HE2      LYS  38   4.085  -5.791  -9.000
  309    HE3  LYS  38           HE1      LYS  38   5.114  -5.009 -10.201
  310    HZ1  LYS  38           HZ1      LYS  38   7.011  -6.207  -9.299
  311    HZ2  LYS  38           HZ2      LYS  38   5.805  -7.286  -9.783
  312    HZ3  LYS  38           HZ3      LYS  38   6.026  -6.950  -8.141
  313    H    HIS  39           HN       HIS  39   6.920  -3.326  -3.308
  314    HA   HIS  39           HA       HIS  39   6.263  -0.617  -2.582
  315    HB2  HIS  39           HB2      HIS  39   5.478  -2.590  -1.283
  316    HB3  HIS  39           HB1      HIS  39   7.143  -2.945  -0.850
  317    HD1  HIS  39           HD1      HIS  39   6.914  -2.558   1.667
  318    HD2  HIS  39           HD2      HIS  39   5.613   0.640  -0.650
  319    HE1  HIS  39           HE1      HIS  39   6.524  -0.635   3.261
  320    H    VAL  40           HN       VAL  40   7.859   0.809  -3.088
  321    HA   VAL  40           HA       VAL  40  10.612   0.056  -2.439
  322    HB   VAL  40           HB       VAL  40   9.673   2.282  -4.247
  323   HG11  VAL  40          HG11      VAL  40  12.003   2.352  -4.996
  324   HG12  VAL  40          HG12      VAL  40  12.421   1.114  -3.813
  325   HG13  VAL  40          HG13      VAL  40  11.868   2.699  -3.272
  326   HG21  VAL  40          HG21      VAL  40   9.089   0.094  -5.159
  327   HG22  VAL  40          HG22      VAL  40  10.755  -0.445  -4.954
  328   HG23  VAL  40          HG23      VAL  40  10.380   0.846  -6.095
  329    H    HIS  41           HN       HIS  41  11.684   0.965  -0.908
  330    HA   HIS  41           HA       HIS  41  10.814   3.574   0.122
  331    HB2  HIS  41           HB2      HIS  41  11.507   1.068   1.542
  332    HB3  HIS  41           HB1      HIS  41  12.114   2.562   2.245
  333    HD1  HIS  41           HD1      HIS  41  10.190   1.229   4.003
  334    HD2  HIS  41           HD2      HIS  41   8.921   3.675   0.894
  335    HE1  HIS  41           HE1      HIS  41   7.934   2.144   4.689
  336    H    LYS  42           HN       LYS  42  12.234   4.827  -0.985
  337    HA   LYS  42           HA       LYS  42  15.060   4.187  -0.936
  338    HB2  LYS  42           HB2      LYS  42  15.345   6.214  -2.281
  339    HB3  LYS  42           HB1      LYS  42  14.105   5.178  -2.972
  340    HG2  LYS  42           HG2      LYS  42  12.364   6.597  -2.119
  341    HG3  LYS  42           HG1      LYS  42  13.540   7.575  -1.239
  342    HD2  LYS  42           HD2      LYS  42  14.563   8.240  -3.371
  343    HD3  LYS  42           HD1      LYS  42  13.361   7.284  -4.238
  344    HE2  LYS  42           HE2      LYS  42  11.581   8.681  -3.339
  345    HE3  LYS  42           HE1      LYS  42  12.763   9.619  -2.425
  346    HZ1  LYS  42           HZ1      LYS  42  12.119  10.732  -4.474
  347    HZ2  LYS  42           HZ2      LYS  42  12.654   9.414  -5.386
  348    HZ3  LYS  42           HZ3      LYS  42  13.761  10.332  -4.498
  349    H    GLU  43           HN       GLU  43  16.601   5.314   0.208
  350    HA   GLU  43           HA       GLU  43  15.649   7.458   1.954
  351    HB2  GLU  43           HB2      GLU  43  17.634   6.454   3.486
  352    HB3  GLU  43           HB1      GLU  43  15.941   6.044   3.687
  353    HG2  GLU  43           HG2      GLU  43  17.259   4.051   3.777
  354    HG3  GLU  43           HG1      GLU  43  16.289   4.037   2.309
  355    H    SER  44           HN       SER  44  17.084   9.106   2.352
  356    HA   SER  44           HA       SER  44  19.569   9.097   0.811
  357    HB2  SER  44           HB2      SER  44  17.767  10.068  -0.603
  358    HB3  SER  44           HB1      SER  44  17.469  11.274   0.643
  359    HG   SER  44           HG       SER  44  19.814  10.922  -0.911
  360    H    GLU  45           HN       GLU  45  19.873   8.736   3.297
  361    HA   GLU  45           HA       GLU  45  20.141  11.332   4.633
  362    HB2  GLU  45           HB2      GLU  45  20.562   9.923   6.687
  363    HB3  GLU  45           HB1      GLU  45  18.947   9.804   6.006
  364    HG2  GLU  45           HG2      GLU  45  19.545   7.694   4.937
  365    HG3  GLU  45           HG1      GLU  45  21.172   7.816   5.607
  366    H    GLN  46           HN       GLN  46  21.856  10.850   2.570
  367    HA   GLN  46           HA       GLN  46  24.418  10.674   3.944
  368    HB2  GLN  46           HB2      GLN  46  25.297   9.271   2.016
  369    HB3  GLN  46           HB1      GLN  46  24.244   8.451   3.157
  370    HG2  GLN  46           HG2      GLN  46  22.362   8.759   1.589
  371    HG3  GLN  46           HG1      GLN  46  23.481   9.480   0.436
  372   HE21  GLN  46          HE21      GLN  46  24.990   8.183  -0.596
  373   HE22  GLN  46          HE22      GLN  46  24.856   6.460  -0.619