*HEADER    UNKNOWN FUNCTION                        24-JAN-20   6VLJ              
*TITLE     SOLUTION NMR OF PROCHLOROSIN 2.8 PRODUCED BY PROCHLOROCOCCUS MIT 9313 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROCHLOROSIN 2.8;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PROCHLOROCOCCUS MARINUS STR. MIT 9313;          
*SOURCE   3 ORGANISM_TAXID: 74547;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PRSFDUET-1                                
*KEYWDS    LANTHIPEPTIDE, CYCLIC PEPTIDE, RIPP, POSTTRANSLATIONAL MODIFICATION,  
*KEYWDS   2 UNKNOWN FUNCTION                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.C.BOBEICA,J.Z.ACEDO,W.A.VAN DER DONK,L.ZHU                          
*REVDAT   1   08-JUL-20 6VLJ    0                                                
# Restraints file 1: ProcA28_noe.tbl
assign (residue 10 and name HB#) (residue 15 and name HE1) 6.0 4.2 1.0 
assign (residue 2 and name HB#) (residue 4 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HB1) (residue 3 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HB2) (residue 3 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HD22) 3.5 1.7 1.0
assign (residue 6 and name HA) (residue 6 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HB#) (residue 6 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HB2) (residue 15 and name HN) 5.5 3.7 1.0 
assign (residue 14 and name HN) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HB#) (residue 16 and name HN) 3.5 1.7 1.0
assign (residue 18 and name HB1) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 18 and name HB2) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 18 and name HG#) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HB2) (residue 19 and name HN) 3.5 1.7 1.0
assign (residue 1 and name HB#) (residue 2 and name HN) 4.5 2.7 1.0
assign (residue 2 and name HB#) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HB1) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HB2) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HN) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB1) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB2) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 5 and name HB2) (residue 5 and name HD21) 4.5 2.7 1.0
assign (residue 5 and name HB2) (residue 5 and name HD22) 4.5 2.7 1.0
assign (residue 5 and name HB2) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 5 and name HN) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HB#) (residue 6 and name HD2) 4.5 2.7 1.0
assign (residue 6 and name HB#) (residue 7 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HN) (residue 7 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HA) (residue 7 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB#) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 8 and name HB#) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 8 and name HD1) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 8 and name HG2) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB2) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB2) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB3) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB3) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB3) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HE#) (residue 14 and name HD#) 6.0 4.2 1.0 
assign (residue 11 and name HG#) (residue 14 and name HD#) 5.5 3.7 1.0 
assign (residue 11 and name HG#) (residue 14 and name HE#) 5.5 3.7 1.0
assign (residue 13 and name HA) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB3) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB3) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 14 and name HA) (residue 15 and name HN) 4.5 2.7 1.0
assign (residue 14 and name HB1) (residue 15 and name HN) 4.5 2.7 1.0
assign (residue 14 and name HN) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 15 and name HB#) (residue 14 and name HD#) 4.5 2.7 1.0
assign (residue 15 and name HB#) (residue 14 and name HE#) 4.5 2.7 1.0
assign (residue 15 and name HN) (residue 14 and name HD#) 4.5 2.7 1.0
assign (residue 15 and name HN) (residue 14 and name HE#) 4.5 2.7 1.0
assign (residue 18 and name HB1) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 18 and name HB2) (residue 15 and name HN) 4.5 2.7 1.0
assign (residue 18 and name HB2) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 18 and name HG#) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB1) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 4 and name HB2) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HD21) 5.5 3.7 1.0
assign (residue 5 and name HB2) (residue 4 and name HN) 5.5 3.7 1.0
assign (residue 5 and name HB2) (residue 6 and name HN) 5.5 3.7 1.0
assign (residue 6 and name HB#) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 7 and name HB#) (residue 18 and name HN) 5.5 3.7 1.0
assign (residue 8 and name HD2) (residue 9 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HB2) (residue 4 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HB2) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 10 and name HE#) (residue 14 and name HE#) 5.5 3.7 1.0
assign (residue 18 and name HB1) (residue 15 and name HE3) 5.5 3.7 1.0
assign (residue 18 and name HB1) (residue 15 and name HN) 5.5 3.7 1.0
assign (residue 18 and name HB2) (residue 15 and name HE3) 5.5 3.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HE1) 5.5 3.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HE3) 5.5 3.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HN) 5.5 3.7 1.0
assign (residue 15 and name HB#) (residue 16 and name HG2) 5.5 3.7 0.8
assign (residue 1 and name HA) (residue 1 and name HB#) 3.5 1.7 1.0
assign (residue 2 and name HA) (residue 2 and name HB#) 3.5 1.7 1.0
assign (residue 7 and name HA) (residue 7 and name HB#) 3.5 1.7 1.0
assign (residue 13 and name HB3) (residue 15 and name HE3) 3.5 1.7 1.0
assign (residue 14 and name HB2) (residue 11 and name HB2) 6.0 4.2 1.0
assign (residue 15 and name HB#) (residue 18 and name HB2) 3.5 1.7 1.0
assign (residue 18 and name HA) (residue 18 and name HG#) 3.5 1.7 1.0
assign (residue 2 and name HB#) (residue 14 and name HE#) 4.5 2.7 1.0
assign (residue 4 and name HB1) (residue 4 and name HD2) 4.5 2.7 1.0
assign (residue 4 and name HD2) (residue 3 and name HB2) 5.5 3.7 1.0 
assign (residue 8 and name HA) (residue 8 and name HG2) 4.5 2.7 1.0
assign (residue 11 and name HD1) (residue 14 and name HB1) 5.5 3.7 1.0
assign (residue 17 and name HA2) (residue 13 and name HB2) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 15 and name HE3) 4.5 2.7 1.0
assign (residue 13 and name HA) (residue 14 and name HD#) 5.5 3.7 1.0
assign (residue 14 and name HA) (residue 16 and name HB1) 4.5 2.7 1.0
assign (residue 14 and name HB2) (residue 11 and name HG#) 5.5 3.7 1.0
assign (residue 14 and name HD#) (residue 11 and name HG#) 5.5 3.7 1.0
assign (residue 14 and name HE#) (residue 11 and name HA) 6.0 4.2 1.0
assign (residue 14 and name HE#) (residue 15 and name HA) 5.5 3.7 1.0
assign (residue 14 and name HN) (residue 15 and name HA) 4.5 2.7 1.0
assign (residue 15 and name HA) (residue 14 and name HD#) 4.5 2.7 1.0
assign (residue 15 and name HB#) (residue 11 and name HG#) 5.5 3.7 1.0
assign (residue 15 and name HB#) (residue 18 and name HB1) 4.5 2.7 1.0
assign (residue 15 and name HB#) (residue 18 and name HG#) 4.5 2.7 1.0
assign (residue 15 and name HD1) (residue 11 and name HG#) 5.5 3.7 1.0
assign (residue 15 and name HD1) (residue 18 and name HG#) 4.5 2.7 1.0
assign (residue 15 and name HZ3) (residue 14 and name HB2) 4.5 2.7 1.0
assign (residue 16 and name HA) (residue 13 and name HB2) 4.5 2.7 1.0
assign (residue 16 and name HA) (residue 13 and name HB3) 4.5 2.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HE3) 4.5 2.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HH2) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 12 and name HB2) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 18 and name HB2) 4.5 2.7 1.0
assign (residue 2 and name HB#) (residue 4 and name HD2) 5.5 3.7 1.0
assign (residue 2 and name HB#) (residue 15 and name HZ2) 5.0 3.2 1.0
assign (residue 4 and name HB1) (residue 4 and name HD2) 5.5 3.7 1.0
assign (residue 4 and name HB2) (residue 4 and name HD2) 5.5 3.7 1.0
assign (residue 4 and name HD2) (residue 3 and name HB1) 5.5 3.7 1.0
assign (residue 5 and name HB1) (residue 6 and name HD2) 5.5 3.7 1.0
assign (residue 5 and name HB2) (residue 4 and name HD2) 5.5 3.7 1.0
assign (residue 6 and name HA) (residue 6 and name HD2) 5.5 3.7 1.0
assign (residue 7 and name HA) (residue 8 and name HD1) 5.5 3.7 1.0
assign (residue 7 and name HA) (residue 8 and name HD2) 5.5 3.7 1.0
assign (residue 8 and name HA) (residue 18 and name HG#) 5.5 3.7 1.0
assign (residue 13 and name HB2) (residue 15 and name HZ2) 5.5 3.7 1.0
assign (residue 13 and name HB3) (residue 15 and name HZ2) 5.5 3.7 1.0
assign (residue 14 and name HB1) (residue 15 and name HD1) 5.5 3.7 1.0
assign (residue 14 and name HD#) (residue 13 and name HA) 5.5 3.7 1.0
assign (residue 14 and name HD#) (residue 15 and name HA) 5.5 3.7 1.0
assign (residue 15 and name HA) (residue 14 and name HE#) 5.5 3.7 1.0
assign (residue 15 and name HD1) (residue 14 and name HB1) 5.5 3.7 1.0
assign (residue 15 and name HD1) (residue 14 and name HB2) 5.5 3.7 1.0
assign (residue 15 and name HE3) (residue 14 and name HB1) 5.5 3.7 1.0
assign (residue 15 and name HE3) (residue 14 and name HB2) 5.5 3.7 1.0
assign (residue 15 and name HE3) (residue 14 and name HD#) 5.5 3.7 1.0
assign (residue 15 and name HE3) (residue 16 and name HA) 5.5 3.7 1.0
assign (residue 15 and name HE3) (residue 18 and name HG#) 5.5 3.7 1.0
assign (residue 15 and name HN) (residue 15 and name HA) 5.5 3.7 1.0
assign (residue 15 and name HZ3) (residue 18 and name HG#) 5.5 3.7 1.0
assign (residue 15 and name HZ3) (residue 11 and name HG#) 5.5 3.7 1.0
assign (residue 17 and name HA1) (residue 13 and name HB2) 5.5 3.7 1.0
assign (residue 17 and name HA1) (residue 13 and name HB3) 5.5 3.7 1.0
assign (residue 17 and name HA1) (residue 18 and name HB1) 5.5 3.7 1.0
assign (residue 17 and name HA1) (residue 18 and name HG#) 5.5 3.7 1.0
assign (residue 17 and name HA2) (residue 18 and name HG#) 5.5 3.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HZ2) 5.5 3.7 1.0
assign (residue 18 and name HG#) (residue 15 and name HZ3) 5.5 3.7 1.0
assign (residue 19 and name HA) (residue 18 and name HG#) 5.5 3.7 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  20.857  -2.890   1.817
    2    H2   ALA   1           HT2      ALA   1  21.748  -1.452   1.970
    3    H3   ALA   1           HT3      ALA   1  21.509  -2.149   0.438
    4    HA   ALA   1           HA       ALA   1  19.678  -0.970   0.158
    5    HB1  ALA   1           HB1      ALA   1  18.992  -2.951   2.096
    6    HB2  ALA   1           HB2      ALA   1  17.928  -2.148   0.939
    7    HB3  ALA   1           HB3      ALA   1  18.171  -1.454   2.542
    8    H    ALA   2           HN       ALA   2  19.155   1.141   0.452
    9    HA   ALA   2           HA       ALA   2  20.609   2.716   2.299
   10    HB1  ALA   2           HB1      ALA   2  18.104   3.483   0.782
   11    HB2  ALA   2           HB2      ALA   2  19.734   3.532   0.109
   12    HB3  ALA   2           HB3      ALA   2  19.305   4.581   1.460
   13    H    CYS   3           HN       CYS   3  17.305   1.464   2.298
   14    HA   CYS   3           HA       CYS   3  16.385   2.904   4.557
   15    HB2  CYS   3           HB2      CYS   3  15.493   0.271   3.368
   16    HB3  CYS   3           HB1      CYS   3  14.636   1.110   4.663
   17    H    HIS   4           HN       HIS   4  18.056  -0.171   4.186
   18    HA   HIS   4           HA       HIS   4  19.291  -1.391   5.701
   19    HB2  HIS   4           HB2      HIS   4  18.485   0.728   7.710
   20    HB3  HIS   4           HB1      HIS   4  19.723  -0.509   7.938
   21    HD2  HIS   4           HD2      HIS   4  19.491   3.054   6.615
   22    HE1  HIS   4           HE1      HIS   4  23.046   1.464   4.986
   23    HE2  HIS   4           HE2      HIS   4  21.711   3.593   5.352
   24    H    ASN   5           HN       ASN   5  16.066  -0.313   6.471
   25    HA   ASN   5           HA       ASN   5  15.599  -2.617   8.224
   26    HB2  ASN   5           HB2      ASN   5  13.942  -0.188   7.525
   27    HB3  ASN   5           HB1      ASN   5  13.334  -1.522   8.505
   28   HD21  ASN   5          HD21      ASN   5  13.669   1.173   9.533
   29   HD22  ASN   5          HD22      ASN   5  14.867   1.113  10.734
   30    H    HIS   6           HN       HIS   6  15.889  -2.467   5.121
   31    HA   HIS   6           HA       HIS   6  15.104  -3.762   3.389
   32    HB2  HIS   6           HB2      HIS   6  14.788  -5.575   4.977
   33    HB3  HIS   6           HB1      HIS   6  13.262  -4.876   5.518
   34    HD2  HIS   6           HD2      HIS   6  11.067  -5.634   4.000
   35    HE1  HIS   6           HE1      HIS   6  13.174  -7.376   0.783
   36    HE2  HIS   6           HE2      HIS   6  10.868  -6.975   1.768
   37    H    ALA   7           HN       ALA   7  12.311  -2.831   5.425
   38    HA   ALA   7           HA       ALA   7  11.340  -0.867   3.681
   39    HB1  ALA   7           HB1      ALA   7  10.594  -2.188   1.998
   40    HB2  ALA   7           HB2      ALA   7   9.248  -2.506   3.091
   41    HB3  ALA   7           HB3      ALA   7  10.599  -3.637   3.001
   42    HA   PRO   8           HA       PRO   8   8.910  -0.456   3.026
   43    HB2  PRO   8           HB2      PRO   8   7.929   2.008   3.791
   44    HB3  PRO   8           HB1      PRO   8   6.943   0.542   3.644
   45    HG2  PRO   8           HG2      PRO   8   8.075   1.823   6.073
   46    HG3  PRO   8           HG1      PRO   8   6.521   1.004   5.842
   47    HD2  PRO   8           HD2      PRO   8   8.644  -0.182   7.094
   48    HD3  PRO   8           HD1      PRO   8   7.423  -1.097   6.183
   49    H    DAL   9           HN       DAL   9  10.142   0.814   1.714
   50    HA   DAL   9           HA       DAL   9  12.295   1.648   1.229
   51    HB1  DAL   9           HB2      DAL   9  12.570   3.002   3.863
   52    HB2  DAL   9           HB3      DAL   9  12.712   1.244   3.833
   53    H    MET  10           HN       MET  10  13.210   4.184   2.007
   54    HA   MET  10           HA       MET  10  11.005   6.054   1.763
   55    HB2  MET  10           HB2      MET  10  12.851   6.718   3.163
   56    HB3  MET  10           HB1      MET  10  14.006   6.429   1.863
   57    HG2  MET  10           HG2      MET  10  12.116   8.167   0.748
   58    HG3  MET  10           HG1      MET  10  12.376   8.783   2.379
   59    HE1  MET  10           HE1      MET  10  15.127   7.268  -0.546
   60    HE2  MET  10           HE2      MET  10  14.793   8.830  -1.288
   61    HE3  MET  10           HE3      MET  10  13.457   7.771  -0.843
   62    HA   PRO  11           HA       PRO  11  13.379   6.555  -2.512
   63    HB2  PRO  11           HB2      PRO  11  14.121   3.711  -2.922
   64    HB3  PRO  11           HB1      PRO  11  15.055   5.179  -3.254
   65    HG2  PRO  11           HG2      PRO  11  15.656   3.573  -1.213
   66    HG3  PRO  11           HG1      PRO  11  15.836   5.332  -1.102
   67    HD2  PRO  11           HD2      PRO  11  13.689   3.582   0.049
   68    HD3  PRO  11           HD1      PRO  11  14.454   5.032   0.738
   69    HA   PRO  12           HA       PRO  12   9.250   5.057  -3.660
   70    HB2  PRO  12           HB2      PRO  12   9.592   7.074  -5.793
   71    HB3  PRO  12           HB1      PRO  12   8.318   6.931  -4.570
   72    HG2  PRO  12           HG2      PRO  12  10.184   8.845  -4.459
   73    HG3  PRO  12           HG1      PRO  12   9.503   8.100  -3.001
   74    HD2  PRO  12           HD2      PRO  12  12.167   7.621  -4.291
   75    HD3  PRO  12           HD1      PRO  12  11.740   7.666  -2.566
   76    H    DAL  13           HN       DAL  13  10.055   3.018  -4.410
   77    HA   DAL  13           HA       DAL  13   9.845   2.678  -7.240
   78    HB1  DAL  13           HB2      DAL  13  10.917   0.375  -5.854
   79    HB2  DAL  13           HB3      DAL  13   9.556   1.068  -4.975
   80    H    TYR  14           HN       TYR  14  12.513   2.926  -5.001
   81    HA   TYR  14           HA       TYR  14  14.410   3.380  -7.038
   82    HB2  TYR  14           HB2      TYR  14  14.787   4.172  -4.776
   83    HB3  TYR  14           HB1      TYR  14  14.803   2.521  -4.163
   84    HD1  TYR  14           HD1      TYR  14  16.526   4.783  -6.593
   85    HD2  TYR  14           HD2      TYR  14  16.810   1.303  -4.093
   86    HE1  TYR  14           HE1      TYR  14  18.954   4.625  -7.088
   87    HE2  TYR  14           HE2      TYR  14  19.236   1.142  -4.588
   88    HH   TYR  14           HH       TYR  14  20.863   1.864  -6.062
   89    H    TRP  15           HN       TRP  15  13.656   0.505  -5.118
   90    HA   TRP  15           HA       TRP  15  15.610  -1.136  -6.476
   91    HB2  TRP  15           HB2      TRP  15  13.382  -2.357  -4.919
   92    HB3  TRP  15           HB1      TRP  15  15.103  -2.744  -4.914
   93    HD1  TRP  15           HD1      TRP  15  16.614  -1.562  -3.169
   94    HE1  TRP  15           HE1      TRP  15  16.169   0.100  -1.247
   95    HE3  TRP  15           HE3      TRP  15  11.782  -0.286  -4.210
   96    HZ2  TRP  15           HZ2      TRP  15  14.039   1.754  -0.283
   97    HZ3  TRP  15           HZ3      TRP  15  10.571   1.335  -2.778
   98    HH2  TRP  15           HH2      TRP  15  11.693   2.354  -0.817
   99    H    GLU  16           HN       GLU  16  12.718   0.121  -7.396
  100    HA   GLU  16           HA       GLU  16  11.100  -0.425  -8.932
  101    HB2  GLU  16           HB2      GLU  16  11.915  -1.273 -10.991
  102    HB3  GLU  16           HB1      GLU  16  13.262  -0.384 -10.285
  103    HG2  GLU  16           HG2      GLU  16  13.082  -3.255  -9.550
  104    HG3  GLU  16           HG1      GLU  16  13.487  -2.912 -11.232
  105    H    GLY  17           HN       GLY  17  11.230  -2.092  -6.575
  106    HA2  GLY  17           HA2      GLY  17   9.874  -4.466  -7.674
  107    HA3  GLY  17           HA1      GLY  17  11.129  -4.677  -6.456
  108    H    GLU  18           HN       GLU  18  10.624  -2.596  -4.732
  109    HA   GLU  18           HA       GLU  18   8.484  -3.611  -3.176
  110    HB2  GLU  18           HB2      GLU  18  10.000  -1.000  -2.986
  111    HB3  GLU  18           HB1      GLU  18   8.891  -1.606  -1.755
  112    HG2  GLU  18           HG2      GLU  18  11.348  -3.081  -2.744
  113    HG3  GLU  18           HG1      GLU  18  11.264  -2.159  -1.245
  114    H    CYS  19           HN       CYS  19   8.813  -0.658  -5.128
  115    HA   CYS  19           HA       CYS  19   6.388   0.560  -4.583
  116    HB2  CYS  19           HB2      CYS  19   6.650   1.122  -7.218
  117    HB3  CYS  19           HB1      CYS  19   7.595   1.915  -5.959
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  23.577   4.240   3.749
    2    H2   ALA   1           HT2      ALA   1  22.862   2.819   3.153
    3    H3   ALA   1           HT3      ALA   1  22.168   3.634   4.473
    4    HA   ALA   1           HA       ALA   1  21.660   5.533   3.071
    5    HB1  ALA   1           HB1      ALA   1  22.389   3.889   0.671
    6    HB2  ALA   1           HB2      ALA   1  23.658   4.786   1.505
    7    HB3  ALA   1           HB3      ALA   1  22.271   5.641   0.830
    8    H    ALA   2           HN       ALA   2  21.433   2.441   1.307
    9    HA   ALA   2           HA       ALA   2  18.638   2.642   0.902
   10    HB1  ALA   2           HB1      ALA   2  20.529   0.286   0.753
   11    HB2  ALA   2           HB2      ALA   2  19.940   1.273  -0.584
   12    HB3  ALA   2           HB3      ALA   2  18.832   0.207   0.279
   13    H    CYS   3           HN       CYS   3  16.913   1.735   1.969
   14    HA   CYS   3           HA       CYS   3  17.126   1.360   4.766
   15    HB2  CYS   3           HB2      CYS   3  14.908   0.672   2.828
   16    HB3  CYS   3           HB1      CYS   3  14.754   0.570   4.582
   17    H    HIS   4           HN       HIS   4  16.870  -0.903   2.057
   18    HA   HIS   4           HA       HIS   4  16.820  -3.238   2.068
   19    HB2  HIS   4           HB2      HIS   4  18.978  -4.066   2.517
   20    HB3  HIS   4           HB1      HIS   4  19.248  -2.369   2.120
   21    HD2  HIS   4           HD2      HIS   4  19.912  -0.711   4.376
   22    HE1  HIS   4           HE1      HIS   4  20.477  -3.924   7.056
   23    HE2  HIS   4           HE2      HIS   4  20.799  -1.427   6.725
   24    H    ASN   5           HN       ASN   5  15.294  -2.048   4.295
   25    HA   ASN   5           HA       ASN   5  15.674  -4.161   6.331
   26    HB2  ASN   5           HB2      ASN   5  14.448  -1.405   6.587
   27    HB3  ASN   5           HB1      ASN   5  14.436  -2.624   7.861
   28   HD21  ASN   5          HD21      ASN   5  17.238  -3.492   6.781
   29   HD22  ASN   5          HD22      ASN   5  18.284  -2.357   7.489
   30    H    HIS   6           HN       HIS   6  12.893  -2.885   7.194
   31    HA   HIS   6           HA       HIS   6  11.328  -4.963   5.888
   32    HB2  HIS   6           HB2      HIS   6  10.728  -3.004   8.108
   33    HB3  HIS   6           HB1      HIS   6   9.528  -4.120   7.455
   34    HD2  HIS   6           HD2      HIS   6  12.635  -4.186   9.809
   35    HE1  HIS   6           HE1      HIS   6  11.243  -8.154   9.437
   36    HE2  HIS   6           HE2      HIS   6  12.849  -6.636  10.687
   37    H    ALA   7           HN       ALA   7  12.069  -1.717   5.346
   38    HA   ALA   7           HA       ALA   7  11.238  -0.128   3.908
   39    HB1  ALA   7           HB1      ALA   7  10.731  -2.673   2.715
   40    HB2  ALA   7           HB2      ALA   7  10.982  -1.120   1.917
   41    HB3  ALA   7           HB3      ALA   7   9.356  -1.620   2.384
   42    HA   PRO   8           HA       PRO   8   9.487   0.383   1.951
   43    HB2  PRO   8           HB2      PRO   8   8.617   2.995   1.850
   44    HB3  PRO   8           HB1      PRO   8   7.634   1.597   1.378
   45    HG2  PRO   8           HG2      PRO   8   7.586   3.188   3.883
   46    HG3  PRO   8           HG1      PRO   8   6.254   2.428   2.996
   47    HD2  PRO   8           HD2      PRO   8   7.334   1.362   5.282
   48    HD3  PRO   8           HD1      PRO   8   6.565   0.382   4.015
   49    H    DAL   9           HN       DAL   9  11.221   1.627   1.198
   50    HA   DAL   9           HA       DAL   9  13.447   2.242   1.672
   51    HB1  DAL   9           HB2      DAL   9  12.649   3.549   4.241
   52    HB2  DAL   9           HB3      DAL   9  12.778   1.791   4.179
   53    H    MET  10           HN       MET  10  14.404   4.580   2.460
   54    HA   MET  10           HA       MET  10  13.014   6.923   2.276
   55    HB2  MET  10           HB2      MET  10  15.760   6.075   1.613
   56    HB3  MET  10           HB1      MET  10  15.229   7.557   0.816
   57    HG2  MET  10           HG2      MET  10  14.356   8.201   3.210
   58    HG3  MET  10           HG1      MET  10  15.515   6.986   3.752
   59    HE1  MET  10           HE1      MET  10  18.797   8.140   2.077
   60    HE2  MET  10           HE2      MET  10  17.563   7.604   0.939
   61    HE3  MET  10           HE3      MET  10  17.751   6.772   2.481
   62    HA   PRO  11           HA       PRO  11  13.105   7.099  -2.485
   63    HB2  PRO  11           HB2      PRO  11  14.347   5.113  -3.878
   64    HB3  PRO  11           HB1      PRO  11  15.194   6.548  -3.275
   65    HG2  PRO  11           HG2      PRO  11  15.107   3.795  -2.138
   66    HG3  PRO  11           HG1      PRO  11  16.464   4.928  -2.253
   67    HD2  PRO  11           HD2      PRO  11  15.038   4.526   0.050
   68    HD3  PRO  11           HD1      PRO  11  15.854   6.057  -0.340
   69    HA   PRO  12           HA       PRO  12   9.650   4.181  -2.290
   70    HB2  PRO  12           HB2      PRO  12   7.973   5.705  -3.833
   71    HB3  PRO  12           HB1      PRO  12   8.234   5.978  -2.101
   72    HG2  PRO  12           HG2      PRO  12   9.382   7.412  -4.438
   73    HG3  PRO  12           HG1      PRO  12   8.850   8.045  -2.870
   74    HD2  PRO  12           HD2      PRO  12  11.487   7.628  -3.503
   75    HD3  PRO  12           HD1      PRO  12  10.860   7.561  -1.841
   76    H    DAL  13           HN       DAL  13  10.777   2.596  -3.581
   77    HA   DAL  13           HA       DAL  13   9.934   2.642  -6.409
   78    HB1  DAL  13           HB2      DAL  13  10.884   0.076  -5.444
   79    HB2  DAL  13           HB3      DAL  13   9.593   0.709  -4.422
   80    H    TYR  14           HN       TYR  14  12.680   2.417  -4.292
   81    HA   TYR  14           HA       TYR  14  14.547   3.042  -6.306
   82    HB2  TYR  14           HB2      TYR  14  14.934   3.414  -3.900
   83    HB3  TYR  14           HB1      TYR  14  15.027   1.676  -3.649
   84    HD1  TYR  14           HD1      TYR  14  16.635   4.582  -5.277
   85    HD2  TYR  14           HD2      TYR  14  16.983   0.422  -4.275
   86    HE1  TYR  14           HE1      TYR  14  19.033   4.635  -5.900
   87    HE2  TYR  14           HE2      TYR  14  19.383   0.471  -4.900
   88    HH   TYR  14           HH       TYR  14  20.903   3.466  -6.111
   89    H    TRP  15           HN       TRP  15  13.707  -0.033  -4.766
   90    HA   TRP  15           HA       TRP  15  15.509  -1.549  -6.456
   91    HB2  TRP  15           HB2      TRP  15  13.391  -2.937  -4.906
   92    HB3  TRP  15           HB1      TRP  15  15.114  -3.291  -5.027
   93    HD1  TRP  15           HD1      TRP  15  16.698  -2.284  -3.226
   94    HE1  TRP  15           HE1      TRP  15  16.321  -0.863  -1.103
   95    HE3  TRP  15           HE3      TRP  15  11.798  -1.010  -3.876
   96    HZ2  TRP  15           HZ2      TRP  15  14.215   0.611   0.149
   97    HZ3  TRP  15           HZ3      TRP  15  10.633   0.402  -2.207
   98    HH2  TRP  15           HH2      TRP  15  11.834   1.213  -0.197
   99    H    GLU  16           HN       GLU  16  12.639  -0.081  -6.996
  100    HA   GLU  16           HA       GLU  16  10.829  -0.434  -8.383
  101    HB2  GLU  16           HB2      GLU  16  11.457  -1.113 -10.640
  102    HB3  GLU  16           HB1      GLU  16  12.681  -0.030  -9.977
  103    HG2  GLU  16           HG2      GLU  16  14.084  -1.955  -9.379
  104    HG3  GLU  16           HG1      GLU  16  12.856  -3.057  -9.999
  105    H    GLY  17           HN       GLY  17  11.576  -2.633  -6.435
  106    HA2  GLY  17           HA2      GLY  17  10.163  -4.847  -7.802
  107    HA3  GLY  17           HA1      GLY  17  11.385  -5.096  -6.559
  108    H    GLU  18           HN       GLU  18  10.691  -3.293  -4.637
  109    HA   GLU  18           HA       GLU  18   8.538  -4.588  -3.320
  110    HB2  GLU  18           HB2      GLU  18   9.989  -2.000  -2.733
  111    HB3  GLU  18           HB1      GLU  18   8.794  -2.721  -1.656
  112    HG2  GLU  18           HG2      GLU  18  10.141  -4.754  -1.470
  113    HG3  GLU  18           HG1      GLU  18  11.314  -4.107  -2.615
  114    H    CYS  19           HN       CYS  19   8.811  -1.517  -5.055
  115    HA   CYS  19           HA       CYS  19   6.081  -0.756  -4.475
  116    HB2  CYS  19           HB2      CYS  19   6.607   1.069  -6.174
  117    HB3  CYS  19           HB1      CYS  19   7.616   1.045  -4.727
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  21.214  -0.396   2.763
    2    H2   ALA   1           HT2      ALA   1  22.845  -0.640   2.352
    3    H3   ALA   1           HT3      ALA   1  21.782   0.072   1.234
    4    HA   ALA   1           HA       ALA   1  22.977   1.229   3.663
    5    HB1  ALA   1           HB1      ALA   1  22.494   2.894   1.306
    6    HB2  ALA   1           HB2      ALA   1  23.458   1.463   0.939
    7    HB3  ALA   1           HB3      ALA   1  23.997   2.596   2.178
    8    H    ALA   2           HN       ALA   2  20.382   1.851   1.284
    9    HA   ALA   2           HA       ALA   2  19.119   3.863   2.850
   10    HB1  ALA   2           HB1      ALA   2  17.476   2.320   0.925
   11    HB2  ALA   2           HB2      ALA   2  18.909   3.110   0.266
   12    HB3  ALA   2           HB3      ALA   2  17.678   4.064   1.094
   13    H    CYS   3           HN       CYS   3  17.319   3.766   4.166
   14    HA   CYS   3           HA       CYS   3  15.694   2.844   5.524
   15    HB2  CYS   3           HB2      CYS   3  16.244   0.142   4.311
   16    HB3  CYS   3           HB1      CYS   3  14.747   0.748   5.019
   17    H    HIS   4           HN       HIS   4  18.612   0.903   5.023
   18    HA   HIS   4           HA       HIS   4  20.087  -0.036   6.515
   19    HB2  HIS   4           HB2      HIS   4  18.645   1.760   8.482
   20    HB3  HIS   4           HB1      HIS   4  20.154   0.904   8.802
   21    HD2  HIS   4           HD2      HIS   4  18.943   4.140   7.045
   22    HE1  HIS   4           HE1      HIS   4  23.065   3.749   6.216
   23    HE2  HIS   4           HE2      HIS   4  21.066   5.306   6.063
   24    H    ASN   5           HN       ASN   5  16.811  -0.511   6.569
   25    HA   ASN   5           HA       ASN   5  17.088  -2.794   8.419
   26    HB2  ASN   5           HB2      ASN   5  14.821  -0.819   8.192
   27    HB3  ASN   5           HB1      ASN   5  14.621  -2.404   8.939
   28   HD21  ASN   5          HD21      ASN   5  17.523  -2.249   9.943
   29   HD22  ASN   5          HD22      ASN   5  17.439  -1.212  11.280
   30    H    HIS   6           HN       HIS   6  14.070  -2.101   6.914
   31    HA   HIS   6           HA       HIS   6  14.555  -3.775   4.591
   32    HB2  HIS   6           HB2      HIS   6  13.030  -5.521   5.149
   33    HB3  HIS   6           HB1      HIS   6  14.112  -5.354   6.531
   34    HD2  HIS   6           HD2      HIS   6  10.335  -4.985   5.706
   35    HE1  HIS   6           HE1      HIS   6  10.876  -3.695   9.690
   36    HE2  HIS   6           HE2      HIS   6   9.148  -4.280   7.923
   37    H    ALA   7           HN       ALA   7  12.623  -3.926   3.204
   38    HA   ALA   7           HA       ALA   7  11.469  -1.482   2.671
   39    HB1  ALA   7           HB1      ALA   7  11.480  -3.481   1.156
   40    HB2  ALA   7           HB2      ALA   7   9.931  -2.642   1.225
   41    HB3  ALA   7           HB3      ALA   7  10.158  -4.149   2.112
   42    HA   PRO   8           HA       PRO   8   9.421  -0.755   1.730
   43    HB2  PRO   8           HB2      PRO   8   8.454   1.693   2.540
   44    HB3  PRO   8           HB1      PRO   8   7.432   0.346   2.004
   45    HG2  PRO   8           HG2      PRO   8   8.037   1.288   4.751
   46    HG3  PRO   8           HG1      PRO   8   6.543   0.607   4.088
   47    HD2  PRO   8           HD2      PRO   8   8.285  -0.832   5.650
   48    HD3  PRO   8           HD1      PRO   8   7.221  -1.570   4.432
   49    H    DAL   9           HN       DAL   9  10.933   0.623   0.885
   50    HA   DAL   9           HA       DAL   9  13.182   1.327   0.960
   51    HB1  DAL   9           HB2      DAL   9  12.989   2.220   3.793
   52    HB2  DAL   9           HB3      DAL   9  13.057   0.486   3.482
   53    H    MET  10           HN       MET  10  14.185   3.590   1.963
   54    HA   MET  10           HA       MET  10  12.386   5.763   2.202
   55    HB2  MET  10           HB2      MET  10  14.548   6.152   3.033
   56    HB3  MET  10           HB1      MET  10  15.320   5.538   1.574
   57    HG2  MET  10           HG2      MET  10  13.502   7.826   1.135
   58    HG3  MET  10           HG1      MET  10  14.931   8.197   2.099
   59    HE1  MET  10           HE1      MET  10  17.346   7.208   1.390
   60    HE2  MET  10           HE2      MET  10  17.001   8.919   1.148
   61    HE3  MET  10           HE3      MET  10  17.865   8.018  -0.094
   62    HA   PRO  11           HA       PRO  11  13.342   6.636  -2.449
   63    HB2  PRO  11           HB2      PRO  11  14.449   4.581  -3.876
   64    HB3  PRO  11           HB1      PRO  11  15.400   5.845  -3.081
   65    HG2  PRO  11           HG2      PRO  11  14.814   3.072  -2.152
   66    HG3  PRO  11           HG1      PRO  11  16.322   3.999  -2.059
   67    HD2  PRO  11           HD2      PRO  11  14.672   3.699   0.075
   68    HD3  PRO  11           HD1      PRO  11  15.644   5.166  -0.178
   69    HA   PRO  12           HA       PRO  12   9.476   4.280  -2.852
   70    HB2  PRO  12           HB2      PRO  12   8.753   6.588  -4.549
   71    HB3  PRO  12           HB1      PRO  12   7.942   5.951  -3.107
   72    HG2  PRO  12           HG2      PRO  12   9.286   8.257  -3.052
   73    HG3  PRO  12           HG1      PRO  12   9.264   7.151  -1.666
   74    HD2  PRO  12           HD2      PRO  12  11.436   7.565  -3.704
   75    HD3  PRO  12           HD1      PRO  12  11.571   7.331  -1.945
   76    H    DAL  13           HN       DAL  13  10.342   2.618  -4.167
   77    HA   DAL  13           HA       DAL  13  10.008   3.096  -7.065
   78    HB1  DAL  13           HB2      DAL  13  10.151   0.308  -6.185
   79    HB2  DAL  13           HB3      DAL  13   8.820   1.202  -5.451
   80    H    TYR  14           HN       TYR  14  12.270   2.272  -4.627
   81    HA   TYR  14           HA       TYR  14  14.497   2.417  -6.344
   82    HB2  TYR  14           HB2      TYR  14  14.588   2.809  -3.913
   83    HB3  TYR  14           HB1      TYR  14  14.294   1.101  -3.627
   84    HD1  TYR  14           HD1      TYR  14  16.681   3.567  -5.001
   85    HD2  TYR  14           HD2      TYR  14  16.021  -0.546  -3.960
   86    HE1  TYR  14           HE1      TYR  14  19.103   3.117  -5.256
   87    HE2  TYR  14           HE2      TYR  14  18.445  -1.000  -4.215
   88    HH   TYR  14           HH       TYR  14  20.401  -0.174  -4.952
   89    H    TRP  15           HN       TRP  15  12.807  -0.339  -4.923
   90    HA   TRP  15           HA       TRP  15  14.492  -2.301  -6.186
   91    HB2  TRP  15           HB2      TRP  15  11.796  -3.083  -5.222
   92    HB3  TRP  15           HB1      TRP  15  13.363  -3.830  -4.914
   93    HD1  TRP  15           HD1      TRP  15  14.625  -3.155  -2.747
   94    HE1  TRP  15           HE1      TRP  15  14.093  -1.571  -0.776
   95    HE3  TRP  15           HE3      TRP  15  10.529  -0.756  -4.623
   96    HZ2  TRP  15           HZ2      TRP  15  12.176   0.435  -0.092
   97    HZ3  TRP  15           HZ3      TRP  15   9.375   0.988  -3.297
   98    HH2  TRP  15           HH2      TRP  15  10.189   1.585  -1.035
   99    H    GLU  16           HN       GLU  16  12.153  -0.260  -7.321
  100    HA   GLU  16           HA       GLU  16  10.717  -0.247  -9.120
  101    HB2  GLU  16           HB2      GLU  16  11.699  -1.120 -11.184
  102    HB3  GLU  16           HB1      GLU  16  12.922  -0.278 -10.232
  103    HG2  GLU  16           HG2      GLU  16  13.797  -2.380  -9.393
  104    HG3  GLU  16           HG1      GLU  16  12.494  -3.277 -10.172
  105    H    GLY  17           HN       GLY  17  10.477  -2.489  -7.109
  106    HA2  GLY  17           HA2      GLY  17   8.986  -4.385  -8.828
  107    HA3  GLY  17           HA1      GLY  17   9.814  -4.868  -7.351
  108    H    GLU  18           HN       GLU  18   9.105  -2.901  -5.592
  109    HA   GLU  18           HA       GLU  18   6.480  -3.676  -4.830
  110    HB2  GLU  18           HB2      GLU  18   8.295  -1.466  -3.846
  111    HB3  GLU  18           HB1      GLU  18   6.755  -1.877  -3.093
  112    HG2  GLU  18           HG2      GLU  18   9.046  -3.819  -3.500
  113    HG3  GLU  18           HG1      GLU  18   8.684  -2.998  -1.984
  114    H    CYS  19           HN       CYS  19   7.800  -0.850  -6.467
  115    HA   CYS  19           HA       CYS  19   5.203   0.479  -6.501
  116    HB2  CYS  19           HB2      CYS  19   6.485   2.224  -7.807
  117    HB3  CYS  19           HB1      CYS  19   7.083   1.927  -6.174
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  22.044   3.320   2.400
    2    H2   ALA   1           HT2      ALA   1  21.813   1.906   1.487
    3    H3   ALA   1           HT3      ALA   1  23.063   1.985   2.635
    4    HA   ALA   1           HA       ALA   1  20.908   0.734   3.229
    5    HB1  ALA   1           HB1      ALA   1  21.135   2.111   5.577
    6    HB2  ALA   1           HB2      ALA   1  22.657   2.533   4.792
    7    HB3  ALA   1           HB3      ALA   1  22.248   0.840   5.069
    8    H    ALA   2           HN       ALA   2  19.505   2.128   1.575
    9    HA   ALA   2           HA       ALA   2  18.170   4.438   2.514
   10    HB1  ALA   2           HB1      ALA   2  17.984   2.631   0.257
   11    HB2  ALA   2           HB2      ALA   2  17.534   4.333   0.364
   12    HB3  ALA   2           HB3      ALA   2  16.383   3.083   0.839
   13    H    CYS   3           HN       CYS   3  17.463   0.986   2.802
   14    HA   CYS   3           HA       CYS   3  15.094   1.605   4.433
   15    HB2  CYS   3           HB2      CYS   3  15.805  -0.524   2.602
   16    HB3  CYS   3           HB1      CYS   3  15.337  -1.175   4.172
   17    H    HIS   4           HN       HIS   4  18.336   0.430   4.617
   18    HA   HIS   4           HA       HIS   4  19.659  -0.043   6.440
   19    HB2  HIS   4           HB2      HIS   4  17.197   0.769   8.005
   20    HB3  HIS   4           HB1      HIS   4  18.789   0.468   8.703
   21    HD2  HIS   4           HD2      HIS   4  16.862   3.405   7.261
   22    HE1  HIS   4           HE1      HIS   4  20.936   4.461   6.928
   23    HE2  HIS   4           HE2      HIS   4  18.556   5.335   6.789
   24    H    ASN   5           HN       ASN   5  16.333  -1.281   6.594
   25    HA   ASN   5           HA       ASN   5  17.444  -3.925   7.277
   26    HB2  ASN   5           HB2      ASN   5  16.463  -2.740   9.298
   27    HB3  ASN   5           HB1      ASN   5  14.898  -2.850   8.494
   28   HD21  ASN   5          HD21      ASN   5  13.956  -4.412   9.928
   29   HD22  ASN   5          HD22      ASN   5  14.546  -5.998  10.064
   30    H    HIS   6           HN       HIS   6  14.200  -2.546   6.730
   31    HA   HIS   6           HA       HIS   6  13.942  -3.959   4.204
   32    HB2  HIS   6           HB2      HIS   6  11.932  -5.209   4.909
   33    HB3  HIS   6           HB1      HIS   6  13.365  -5.727   5.796
   34    HD2  HIS   6           HD2      HIS   6   9.857  -4.364   6.546
   35    HE1  HIS   6           HE1      HIS   6  12.073  -3.960  10.118
   36    HE2  HIS   6           HE2      HIS   6   9.747  -3.848   9.103
   37    H    ALA   7           HN       ALA   7  11.907  -3.435   3.109
   38    HA   ALA   7           HA       ALA   7  11.323  -0.807   2.870
   39    HB1  ALA   7           HB1      ALA   7  10.314  -3.004   1.718
   40    HB2  ALA   7           HB2      ALA   7   9.543  -1.425   1.574
   41    HB3  ALA   7           HB3      ALA   7   8.949  -2.590   2.757
   42    HA   PRO   8           HA       PRO   8   9.271   0.368   2.353
   43    HB2  PRO   8           HB2      PRO   8   9.072   2.993   3.154
   44    HB3  PRO   8           HB1      PRO   8   7.690   1.891   3.009
   45    HG2  PRO   8           HG2      PRO   8   9.164   2.774   5.426
   46    HG3  PRO   8           HG1      PRO   8   7.443   2.418   5.214
   47    HD2  PRO   8           HD2      PRO   8   9.209   0.691   6.423
   48    HD3  PRO   8           HD1      PRO   8   7.724   0.166   5.602
   49    H    DAL   9           HN       DAL   9  10.795   1.305   1.059
   50    HA   DAL   9           HA       DAL   9  13.094   1.480   0.556
   51    HB1  DAL   9           HB2      DAL   9  14.749   1.862   2.229
   52    HB2  DAL   9           HB3      DAL   9  13.543   2.386   3.403
   53    H    MET  10           HN       MET  10  14.587   3.694   1.903
   54    HA   MET  10           HA       MET  10  13.347   6.129   1.965
   55    HB2  MET  10           HB2      MET  10  15.600   6.277   2.441
   56    HB3  MET  10           HB1      MET  10  16.065   5.245   1.090
   57    HG2  MET  10           HG2      MET  10  15.483   7.054  -0.493
   58    HG3  MET  10           HG1      MET  10  15.020   8.085   0.860
   59    HE1  MET  10           HE1      MET  10  18.939   7.748  -1.097
   60    HE2  MET  10           HE2      MET  10  17.407   8.484  -1.563
   61    HE3  MET  10           HE3      MET  10  17.522   6.733  -1.403
   62    HA   PRO  11           HA       PRO  11  13.663   6.802  -2.765
   63    HB2  PRO  11           HB2      PRO  11  14.629   4.762  -4.304
   64    HB3  PRO  11           HB1      PRO  11  15.657   6.020  -3.598
   65    HG2  PRO  11           HG2      PRO  11  15.169   3.237  -2.647
   66    HG3  PRO  11           HG1      PRO  11  16.675   4.168  -2.690
   67    HD2  PRO  11           HD2      PRO  11  15.219   3.834  -0.411
   68    HD3  PRO  11           HD1      PRO  11  16.193   5.289  -0.727
   69    HA   PRO  12           HA       PRO  12   9.767   4.491  -2.749
   70    HB2  PRO  12           HB2      PRO  12   8.982   6.683  -4.582
   71    HB3  PRO  12           HB1      PRO  12   8.231   6.158  -3.065
   72    HG2  PRO  12           HG2      PRO  12   9.612   8.435  -3.226
   73    HG3  PRO  12           HG1      PRO  12   9.644   7.423  -1.771
   74    HD2  PRO  12           HD2      PRO  12  11.719   7.681  -3.928
   75    HD3  PRO  12           HD1      PRO  12  11.937   7.524  -2.170
   76    H    DAL  13           HN       DAL  13  10.562   2.712  -3.978
   77    HA   DAL  13           HA       DAL  13   9.814   2.855  -6.815
   78    HB1  DAL  13           HB2      DAL  13  10.497   0.207  -5.990
   79    HB2  DAL  13           HB3      DAL  13   9.445   0.923  -4.770
   80    H    TYR  14           HN       TYR  14  12.568   2.251  -4.748
   81    HA   TYR  14           HA       TYR  14  14.449   2.706  -6.809
   82    HB2  TYR  14           HB2      TYR  14  14.947   3.004  -4.418
   83    HB3  TYR  14           HB1      TYR  14  14.825   1.267  -4.173
   84    HD1  TYR  14           HD1      TYR  14  16.764   3.971  -5.762
   85    HD2  TYR  14           HD2      TYR  14  16.565  -0.235  -4.926
   86    HE1  TYR  14           HE1      TYR  14  19.134   3.726  -6.448
   87    HE2  TYR  14           HE2      TYR  14  18.938  -0.484  -5.614
   88    HH   TYR  14           HH       TYR  14  20.564   1.635  -7.399
   89    H    TRP  15           HN       TRP  15  13.246  -0.256  -5.294
   90    HA   TRP  15           HA       TRP  15  14.846  -1.995  -6.946
   91    HB2  TRP  15           HB2      TRP  15  12.430  -3.015  -5.551
   92    HB3  TRP  15           HB1      TRP  15  14.054  -3.696  -5.622
   93    HD1  TRP  15           HD1      TRP  15  15.725  -3.059  -3.735
   94    HE1  TRP  15           HE1      TRP  15  15.547  -1.651  -1.581
   95    HE3  TRP  15           HE3      TRP  15  11.184  -0.863  -4.497
   96    HZ2  TRP  15           HZ2      TRP  15  13.713   0.157  -0.343
   97    HZ3  TRP  15           HZ3      TRP  15  10.242   0.694  -2.817
   98    HH2  TRP  15           HH2      TRP  15  11.499   1.208  -0.742
   99    H    GLU  16           HN       GLU  16  12.201  -0.119  -7.551
  100    HA   GLU  16           HA       GLU  16  10.450  -0.176  -9.051
  101    HB2  GLU  16           HB2      GLU  16  11.129  -0.816 -11.310
  102    HB3  GLU  16           HB1      GLU  16  12.420   0.091 -10.522
  103    HG2  GLU  16           HG2      GLU  16  13.564  -2.009  -9.952
  104    HG3  GLU  16           HG1      GLU  16  12.268  -2.932 -10.712
  105    H    GLY  17           HN       GLY  17  10.541  -2.388  -7.147
  106    HA2  GLY  17           HA2      GLY  17   8.875  -4.282  -8.669
  107    HA3  GLY  17           HA1      GLY  17  10.176  -4.903  -7.659
  108    H    GLU  18           HN       GLU  18   9.998  -3.225  -5.466
  109    HA   GLU  18           HA       GLU  18   7.886  -4.415  -3.993
  110    HB2  GLU  18           HB2      GLU  18   9.918  -2.282  -3.442
  111    HB3  GLU  18           HB1      GLU  18   8.592  -2.533  -2.307
  112    HG2  GLU  18           HG2      GLU  18  10.340  -3.941  -1.526
  113    HG3  GLU  18           HG1      GLU  18   9.224  -5.020  -2.364
  114    H    CYS  19           HN       CYS  19   8.303  -1.248  -5.492
  115    HA   CYS  19           HA       CYS  19   5.799  -0.243  -4.438
  116    HB2  CYS  19           HB2      CYS  19   6.319   1.683  -6.020
  117    HB3  CYS  19           HB1      CYS  19   7.501   1.391  -4.744
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  16.422  -2.558  -2.339
    2    H2   ALA   1           HT2      ALA   1  15.270  -3.801  -2.210
    3    H3   ALA   1           HT3      ALA   1  16.866  -4.060  -1.687
    4    HA   ALA   1           HA       ALA   1  15.021  -2.070  -0.488
    5    HB1  ALA   1           HB1      ALA   1  15.062  -4.909  -0.227
    6    HB2  ALA   1           HB2      ALA   1  14.107  -3.750   0.697
    7    HB3  ALA   1           HB3      ALA   1  15.706  -4.228   1.268
    8    H    ALA   2           HN       ALA   2  17.153  -0.859  -0.983
    9    HA   ALA   2           HA       ALA   2  19.523  -1.462   0.423
   10    HB1  ALA   2           HB1      ALA   2  20.268   0.327  -0.702
   11    HB2  ALA   2           HB2      ALA   2  19.136   1.384   0.140
   12    HB3  ALA   2           HB3      ALA   2  18.636   0.550  -1.330
   13    H    CYS   3           HN       CYS   3  16.642   0.372   1.298
   14    HA   CYS   3           HA       CYS   3  17.293   1.775   3.501
   15    HB2  CYS   3           HB2      CYS   3  14.922   0.327   2.643
   16    HB3  CYS   3           HB1      CYS   3  15.058   0.372   4.401
   17    H    HIS   4           HN       HIS   4  18.662   1.330   5.081
   18    HA   HIS   4           HA       HIS   4  19.569  -1.180   5.860
   19    HB2  HIS   4           HB2      HIS   4  19.403   1.371   7.481
   20    HB3  HIS   4           HB1      HIS   4  20.357  -0.044   7.925
   21    HD2  HIS   4           HD2      HIS   4  20.398   2.795   5.184
   22    HE1  HIS   4           HE1      HIS   4  24.062   0.711   4.999
   23    HE2  HIS   4           HE2      HIS   4  22.780   2.716   4.119
   24    H    ASN   5           HN       ASN   5  16.938   0.777   7.240
   25    HA   ASN   5           HA       ASN   5  16.320  -1.001   9.360
   26    HB2  ASN   5           HB2      ASN   5  14.715   1.131   7.945
   27    HB3  ASN   5           HB1      ASN   5  14.084   0.210   9.312
   28   HD21  ASN   5          HD21      ASN   5  16.966   0.103  10.437
   29   HD22  ASN   5          HD22      ASN   5  17.173   1.632  11.143
   30    H    HIS   6           HN       HIS   6  13.434  -0.496   7.791
   31    HA   HIS   6           HA       HIS   6  13.470  -3.093   6.404
   32    HB2  HIS   6           HB2      HIS   6  11.500  -2.249   8.537
   33    HB3  HIS   6           HB1      HIS   6  11.235  -3.603   7.437
   34    HD2  HIS   6           HD2      HIS   6  12.928  -2.967  10.792
   35    HE1  HIS   6           HE1      HIS   6  14.620  -6.543   9.314
   36    HE2  HIS   6           HE2      HIS   6  14.400  -5.050  11.358
   37    H    ALA   7           HN       ALA   7  12.107  -3.240   4.656
   38    HA   ALA   7           HA       ALA   7  11.420  -0.877   3.316
   39    HB1  ALA   7           HB1      ALA   7   9.931  -3.367   2.659
   40    HB2  ALA   7           HB2      ALA   7  11.690  -3.411   2.520
   41    HB3  ALA   7           HB3      ALA   7  10.760  -2.234   1.592
   42    HA   PRO   8           HA       PRO   8   9.770  -0.513   1.603
   43    HB2  PRO   8           HB2      PRO   8   8.614   1.980   1.431
   44    HB3  PRO   8           HB1      PRO   8   7.797   0.474   0.973
   45    HG2  PRO   8           HG2      PRO   8   7.513   2.112   3.426
   46    HG3  PRO   8           HG1      PRO   8   6.301   1.162   2.549
   47    HD2  PRO   8           HD2      PRO   8   7.492   0.318   4.887
   48    HD3  PRO   8           HD1      PRO   8   6.823  -0.787   3.668
   49    H    DAL   9           HN       DAL   9  11.288   1.015   0.837
   50    HA   DAL   9           HA       DAL   9  13.421   1.904   1.310
   51    HB1  DAL   9           HB2      DAL   9  12.518   3.020   3.929
   52    HB2  DAL   9           HB3      DAL   9  12.832   1.289   3.814
   53    H    MET  10           HN       MET  10  13.281   4.412   3.090
   54    HA   MET  10           HA       MET  10  11.668   6.404   2.523
   55    HB2  MET  10           HB2      MET  10  14.312   7.223   1.594
   56    HB3  MET  10           HB1      MET  10  13.402   7.758   3.007
   57    HG2  MET  10           HG2      MET  10  14.132   5.847   4.289
   58    HG3  MET  10           HG1      MET  10  14.863   5.108   2.865
   59    HE1  MET  10           HE1      MET  10  16.578   7.383   1.368
   60    HE2  MET  10           HE2      MET  10  16.725   5.664   1.726
   61    HE3  MET  10           HE3      MET  10  18.029   6.764   2.169
   62    HA   PRO  11           HA       PRO  11  13.152   6.958  -2.084
   63    HB2  PRO  11           HB2      PRO  11  14.219   4.251  -2.643
   64    HB3  PRO  11           HB1      PRO  11  14.871   5.837  -3.092
   65    HG2  PRO  11           HG2      PRO  11  16.018   4.378  -1.186
   66    HG3  PRO  11           HG1      PRO  11  15.912   6.142  -1.063
   67    HD2  PRO  11           HD2      PRO  11  14.258   4.055   0.326
   68    HD3  PRO  11           HD1      PRO  11  14.910   5.588   0.954
   69    HA   PRO  12           HA       PRO  12   9.192   4.768  -2.557
   70    HB2  PRO  12           HB2      PRO  12   8.170   6.602  -4.337
   71    HB3  PRO  12           HB1      PRO  12   8.108   6.786  -2.574
   72    HG2  PRO  12           HG2      PRO  12   9.983   8.003  -4.539
   73    HG3  PRO  12           HG1      PRO  12   9.235   8.716  -3.099
   74    HD2  PRO  12           HD2      PRO  12  11.819   7.852  -3.123
   75    HD3  PRO  12           HD1      PRO  12  10.807   7.789  -1.663
   76    H    DAL  13           HN       DAL  13  10.153   2.984  -3.678
   77    HA   DAL  13           HA       DAL  13   9.458   2.854  -6.449
   78    HB1  DAL  13           HB2      DAL  13  11.227   0.732  -5.502
   79    HB2  DAL  13           HB3      DAL  13   9.859   1.009  -4.424
   80    H    TYR  14           HN       TYR  14  12.383   3.533  -4.702
   81    HA   TYR  14           HA       TYR  14  13.742   4.519  -6.967
   82    HB2  TYR  14           HB2      TYR  14  14.328   5.218  -4.720
   83    HB3  TYR  14           HB1      TYR  14  14.809   3.579  -4.297
   84    HD1  TYR  14           HD1      TYR  14  15.516   6.286  -6.777
   85    HD2  TYR  14           HD2      TYR  14  17.031   2.906  -4.606
   86    HE1  TYR  14           HE1      TYR  14  17.786   6.740  -7.660
   87    HE2  TYR  14           HE2      TYR  14  19.304   3.355  -5.492
   88    HH   TYR  14           HH       TYR  14  20.474   5.732  -6.426
   89    H    TRP  15           HN       TRP  15  13.974   1.444  -5.236
   90    HA   TRP  15           HA       TRP  15  15.986   0.365  -6.992
   91    HB2  TRP  15           HB2      TRP  15  14.277  -1.412  -5.307
   92    HB3  TRP  15           HB1      TRP  15  16.022  -1.443  -5.564
   93    HD1  TRP  15           HD1      TRP  15  17.527  -0.072  -3.935
   94    HE1  TRP  15           HE1      TRP  15  17.054   1.294  -1.797
   95    HE3  TRP  15           HE3      TRP  15  12.432   0.158  -4.143
   96    HZ2  TRP  15           HZ2      TRP  15  14.808   2.341  -0.367
   97    HZ3  TRP  15           HZ3      TRP  15  11.152   1.345  -2.385
   98    HH2  TRP  15           HH2      TRP  15  12.333   2.436  -0.497
   99    H    GLU  16           HN       GLU  16  12.795   1.034  -7.414
  100    HA   GLU  16           HA       GLU  16  11.096   0.213  -8.741
  101    HB2  GLU  16           HB2      GLU  16  11.818  -0.342 -11.022
  102    HB3  GLU  16           HB1      GLU  16  12.672   1.076 -10.418
  103    HG2  GLU  16           HG2      GLU  16  14.604  -0.331  -9.823
  104    HG3  GLU  16           HG1      GLU  16  13.753  -1.757 -10.417
  105    H    GLY  17           HN       GLY  17  12.109  -1.639  -6.743
  106    HA2  GLY  17           HA2      GLY  17  11.264  -4.149  -8.041
  107    HA3  GLY  17           HA1      GLY  17  12.701  -4.128  -7.023
  108    H    GLU  18           HN       GLU  18  11.898  -2.469  -4.970
  109    HA   GLU  18           HA       GLU  18  10.379  -4.244  -3.351
  110    HB2  GLU  18           HB2      GLU  18  11.223  -1.368  -2.933
  111    HB3  GLU  18           HB1      GLU  18  10.449  -2.360  -1.695
  112    HG2  GLU  18           HG2      GLU  18  13.033  -3.072  -3.113
  113    HG3  GLU  18           HG1      GLU  18  12.932  -2.369  -1.500
  114    H    CYS  19           HN       CYS  19   9.619  -1.185  -4.973
  115    HA   CYS  19           HA       CYS  19   6.999  -0.912  -3.920
  116    HB2  CYS  19           HB2      CYS  19   6.784   0.474  -6.177
  117    HB3  CYS  19           HB1      CYS  19   7.733   1.075  -4.817
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  22.636   0.072   5.037
    2    H2   ALA   1           HT2      ALA   1  23.173   1.647   4.698
    3    H3   ALA   1           HT3      ALA   1  23.905   0.315   3.939
    4    HA   ALA   1           HA       ALA   1  22.484   1.291   2.341
    5    HB1  ALA   1           HB1      ALA   1  21.462  -0.647   1.697
    6    HB2  ALA   1           HB2      ALA   1  20.650  -0.853   3.249
    7    HB3  ALA   1           HB3      ALA   1  22.340  -1.326   3.069
    8    H    ALA   2           HN       ALA   2  20.278   1.939   1.745
    9    HA   ALA   2           HA       ALA   2  19.139   3.693   3.662
   10    HB1  ALA   2           HB1      ALA   2  18.615   4.499   1.603
   11    HB2  ALA   2           HB2      ALA   2  17.190   3.476   1.783
   12    HB3  ALA   2           HB3      ALA   2  18.584   2.895   0.871
   13    H    CYS   3           HN       CYS   3  17.279   3.545   4.866
   14    HA   CYS   3           HA       CYS   3  15.514   2.576   5.985
   15    HB2  CYS   3           HB2      CYS   3  15.376   0.153   4.309
   16    HB3  CYS   3           HB1      CYS   3  14.102   1.282   4.769
   17    H    HIS   4           HN       HIS   4  18.055   0.355   4.897
   18    HA   HIS   4           HA       HIS   4  19.129  -1.375   5.960
   19    HB2  HIS   4           HB2      HIS   4  19.956  -0.868   8.086
   20    HB3  HIS   4           HB1      HIS   4  19.594   0.726   7.423
   21    HD2  HIS   4           HD2      HIS   4  17.996   2.203   9.117
   22    HE1  HIS   4           HE1      HIS   4  16.242  -0.991  11.247
   23    HE2  HIS   4           HE2      HIS   4  16.373   1.537  11.050
   24    H    ASN   5           HN       ASN   5  15.958  -1.116   5.989
   25    HA   ASN   5           HA       ASN   5  15.608  -3.577   7.567
   26    HB2  ASN   5           HB2      ASN   5  14.839  -1.629   8.920
   27    HB3  ASN   5           HB1      ASN   5  13.691  -1.238   7.641
   28   HD21  ASN   5          HD21      ASN   5  14.623  -4.029   9.735
   29   HD22  ASN   5          HD22      ASN   5  13.040  -4.627   9.880
   30    H    HIS   6           HN       HIS   6  15.435  -4.850   5.742
   31    HA   HIS   6           HA       HIS   6  14.626  -5.013   3.399
   32    HB2  HIS   6           HB2      HIS   6  12.849  -6.286   5.489
   33    HB3  HIS   6           HB1      HIS   6  12.807  -6.692   3.773
   34    HD2  HIS   6           HD2      HIS   6  15.037  -7.362   6.902
   35    HE1  HIS   6           HE1      HIS   6  16.866  -9.264   3.605
   36    HE2  HIS   6           HE2      HIS   6  16.922  -8.997   6.130
   37    H    ALA   7           HN       ALA   7  14.043  -2.697   3.047
   38    HA   ALA   7           HA       ALA   7  12.548  -1.052   2.475
   39    HB1  ALA   7           HB1      ALA   7  10.254  -2.712   1.936
   40    HB2  ALA   7           HB2      ALA   7  11.719  -3.479   1.323
   41    HB3  ALA   7           HB3      ALA   7  11.294  -1.848   0.802
   42    HA   PRO   8           HA       PRO   8  10.331  -0.217   1.758
   43    HB2  PRO   8           HB2      PRO   8   9.633   2.292   3.090
   44    HB3  PRO   8           HB1      PRO   8   8.671   1.320   1.962
   45    HG2  PRO   8           HG2      PRO   8   8.082   1.559   4.587
   46    HG3  PRO   8           HG1      PRO   8   7.686   0.127   3.625
   47    HD2  PRO   8           HD2      PRO   8   9.917   0.507   5.600
   48    HD3  PRO   8           HD1      PRO   8   8.920  -0.932   5.283
   49    H    DAL   9           HN       DAL   9  10.989   2.352   1.260
   50    HA   DAL   9           HA       DAL   9  13.600   2.570   0.858
   51    HB1  DAL   9           HB2      DAL   9  14.086   4.066   3.123
   52    HB2  DAL   9           HB3      DAL   9  13.161   2.702   3.748
   53    H    MET  10           HN       MET  10  14.486   5.014   1.396
   54    HA   MET  10           HA       MET  10  12.647   7.126   1.483
   55    HB2  MET  10           HB2      MET  10  15.473   6.783   0.647
   56    HB3  MET  10           HB1      MET  10  14.638   8.205   0.017
   57    HG2  MET  10           HG2      MET  10  13.904   8.711   2.383
   58    HG3  MET  10           HG1      MET  10  14.979   7.421   2.922
   59    HE1  MET  10           HE1      MET  10  17.097   8.013   0.268
   60    HE2  MET  10           HE2      MET  10  17.377   7.226   1.819
   61    HE3  MET  10           HE3      MET  10  18.376   8.597   1.343
   62    HA   PRO  11           HA       PRO  11  12.705   7.379  -3.322
   63    HB2  PRO  11           HB2      PRO  11  13.939   5.307  -4.646
   64    HB3  PRO  11           HB1      PRO  11  14.734   6.833  -4.227
   65    HG2  PRO  11           HG2      PRO  11  14.851   4.204  -2.820
   66    HG3  PRO  11           HG1      PRO  11  16.145   5.370  -3.142
   67    HD2  PRO  11           HD2      PRO  11  14.968   5.186  -0.713
   68    HD3  PRO  11           HD1      PRO  11  15.528   6.743  -1.369
   69    HA   PRO  12           HA       PRO  12   9.305   4.400  -2.783
   70    HB2  PRO  12           HB2      PRO  12   7.917   6.323  -4.543
   71    HB3  PRO  12           HB1      PRO  12   7.479   5.757  -2.921
   72    HG2  PRO  12           HG2      PRO  12   8.375   8.232  -3.340
   73    HG3  PRO  12           HG1      PRO  12   8.780   7.327  -1.872
   74    HD2  PRO  12           HD2      PRO  12  10.482   7.821  -4.303
   75    HD3  PRO  12           HD1      PRO  12  10.942   7.851  -2.584
   76    H    DAL  13           HN       DAL  13  10.337   2.786  -4.085
   77    HA   DAL  13           HA       DAL  13   9.494   2.851  -6.921
   78    HB1  DAL  13           HB2      DAL  13  10.131   0.233  -5.735
   79    HB2  DAL  13           HB3      DAL  13   8.740   1.042  -5.015
   80    H    TYR  14           HN       TYR  14  12.131   2.650  -4.766
   81    HA   TYR  14           HA       TYR  14  14.077   2.863  -6.786
   82    HB2  TYR  14           HB2      TYR  14  14.418   3.570  -4.451
   83    HB3  TYR  14           HB1      TYR  14  14.414   1.887  -3.942
   84    HD1  TYR  14           HD1      TYR  14  16.290   4.535  -5.621
   85    HD2  TYR  14           HD2      TYR  14  16.238   0.363  -4.615
   86    HE1  TYR  14           HE1      TYR  14  18.703   4.378  -6.163
   87    HE2  TYR  14           HE2      TYR  14  18.653   0.200  -5.159
   88    HH   TYR  14           HH       TYR  14  20.675   2.314  -5.187
   89    H    TRP  15           HN       TRP  15  12.945   0.106  -4.894
   90    HA   TRP  15           HA       TRP  15  14.761  -1.762  -6.122
   91    HB2  TRP  15           HB2      TRP  15  12.285  -2.716  -4.769
   92    HB3  TRP  15           HB1      TRP  15  13.947  -3.284  -4.608
   93    HD1  TRP  15           HD1      TRP  15  15.417  -2.245  -2.727
   94    HE1  TRP  15           HE1      TRP  15  14.965  -0.538  -0.843
   95    HE3  TRP  15           HE3      TRP  15  10.840  -0.512  -4.184
   96    HZ2  TRP  15           HZ2      TRP  15  12.928   1.312  -0.062
   97    HZ3  TRP  15           HZ3      TRP  15   9.669   1.219  -2.854
   98    HH2  TRP  15           HH2      TRP  15  10.706   2.133  -0.796
   99    H    GLU  16           HN       GLU  16  12.142  -0.154  -7.266
  100    HA   GLU  16           HA       GLU  16  10.539  -0.539  -8.882
  101    HB2  GLU  16           HB2      GLU  16  11.439  -1.515 -10.925
  102    HB3  GLU  16           HB1      GLU  16  12.645  -0.462 -10.189
  103    HG2  GLU  16           HG2      GLU  16  13.759  -2.404  -9.185
  104    HG3  GLU  16           HG1      GLU  16  12.535  -3.475  -9.869
  105    H    GLY  17           HN       GLY  17  10.842  -2.573  -6.625
  106    HA2  GLY  17           HA2      GLY  17   9.360  -4.767  -7.950
  107    HA3  GLY  17           HA1      GLY  17  10.462  -5.035  -6.602
  108    H    GLU  18           HN       GLU  18   9.792  -2.950  -4.922
  109    HA   GLU  18           HA       GLU  18   7.483  -3.964  -3.625
  110    HB2  GLU  18           HB2      GLU  18   9.043  -1.403  -3.226
  111    HB3  GLU  18           HB1      GLU  18   7.751  -1.948  -2.155
  112    HG2  GLU  18           HG2      GLU  18  10.243  -3.548  -2.807
  113    HG3  GLU  18           HG1      GLU  18  10.006  -2.610  -1.332
  114    H    CYS  19           HN       CYS  19   8.040  -1.237  -5.779
  115    HA   CYS  19           HA       CYS  19   5.311  -0.267  -5.456
  116    HB2  CYS  19           HB2      CYS  19   6.108   1.352  -7.296
  117    HB3  CYS  19           HB1      CYS  19   6.867   1.484  -5.710
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  22.044   7.394   2.522
    2    H2   ALA   1           HT2      ALA   1  20.365   7.154   2.596
    3    H3   ALA   1           HT3      ALA   1  21.160   7.152   1.094
    4    HA   ALA   1           HA       ALA   1  22.023   5.074   1.365
    5    HB1  ALA   1           HB1      ALA   1  23.187   5.618   3.467
    6    HB2  ALA   1           HB2      ALA   1  22.377   4.056   3.590
    7    HB3  ALA   1           HB3      ALA   1  21.666   5.479   4.350
    8    H    ALA   2           HN       ALA   2  20.621   3.599   0.664
    9    HA   ALA   2           HA       ALA   2  17.834   3.735   1.242
   10    HB1  ALA   2           HB1      ALA   2  18.490   1.174   0.196
   11    HB2  ALA   2           HB2      ALA   2  19.531   2.357  -0.597
   12    HB3  ALA   2           HB3      ALA   2  17.779   2.547  -0.652
   13    H    CYS   3           HN       CYS   3  16.537   2.373   2.466
   14    HA   CYS   3           HA       CYS   3  17.796   1.220   4.788
   15    HB2  CYS   3           HB2      CYS   3  15.472   0.667   5.456
   16    HB3  CYS   3           HB1      CYS   3  15.653   2.364   5.014
   17    H    HIS   4           HN       HIS   4  18.740  -0.698   4.708
   18    HA   HIS   4           HA       HIS   4  18.391  -2.630   2.699
   19    HB2  HIS   4           HB2      HIS   4  19.371  -3.096   5.525
   20    HB3  HIS   4           HB1      HIS   4  19.707  -4.095   4.112
   21    HD2  HIS   4           HD2      HIS   4  20.757  -0.583   5.561
   22    HE1  HIS   4           HE1      HIS   4  23.294  -1.492   2.309
   23    HE2  HIS   4           HE2      HIS   4  22.874   0.140   4.210
   24    H    ASN   5           HN       ASN   5  16.376  -1.818   5.302
   25    HA   ASN   5           HA       ASN   5  15.264  -4.402   5.838
   26    HB2  ASN   5           HB2      ASN   5  14.344  -1.586   6.412
   27    HB3  ASN   5           HB1      ASN   5  13.398  -3.004   6.869
   28   HD21  ASN   5          HD21      ASN   5  14.548  -1.187   8.812
   29   HD22  ASN   5          HD22      ASN   5  15.719  -2.049   9.687
   30    H    HIS   6           HN       HIS   6  13.132  -5.109   5.284
   31    HA   HIS   6           HA       HIS   6  12.531  -5.037   2.568
   32    HB2  HIS   6           HB2      HIS   6  10.112  -5.649   3.614
   33    HB3  HIS   6           HB1      HIS   6  11.439  -6.804   3.496
   34    HD2  HIS   6           HD2      HIS   6  12.382  -7.717   5.953
   35    HE1  HIS   6           HE1      HIS   6  10.301  -4.976   8.399
   36    HE2  HIS   6           HE2      HIS   6  11.797  -7.028   8.403
   37    H    ALA   7           HN       ALA   7  11.229  -3.086   5.223
   38    HA   ALA   7           HA       ALA   7  10.782  -0.781   3.776
   39    HB1  ALA   7           HB1      ALA   7   8.100  -1.198   3.774
   40    HB2  ALA   7           HB2      ALA   7   8.677  -2.815   3.371
   41    HB3  ALA   7           HB3      ALA   7   9.129  -1.439   2.363
   42    HA   PRO   8           HA       PRO   8   8.904   0.775   3.767
   43    HB2  PRO   8           HB2      PRO   8   9.521   3.224   5.247
   44    HB3  PRO   8           HB1      PRO   8   8.009   2.748   4.455
   45    HG2  PRO   8           HG2      PRO   8   8.306   2.900   7.143
   46    HG3  PRO   8           HG1      PRO   8   7.167   1.804   6.343
   47    HD2  PRO   8           HD2      PRO   8   9.841   1.189   7.553
   48    HD3  PRO   8           HD1      PRO   8   8.358   0.211   7.532
   49    H    DAL   9           HN       DAL   9  10.227   2.896   2.935
   50    HA   DAL   9           HA       DAL   9  12.568   2.217   1.876
   51    HB1  DAL   9           HB2      DAL   9  14.070   3.488   3.814
   52    HB2  DAL   9           HB3      DAL   9  12.964   2.495   4.761
   53    H    MET  10           HN       MET  10  14.282   4.217   1.890
   54    HA   MET  10           HA       MET  10  12.898   6.782   1.999
   55    HB2  MET  10           HB2      MET  10  15.701   5.859   1.786
   56    HB3  MET  10           HB1      MET  10  15.323   7.354   0.931
   57    HG2  MET  10           HG2      MET  10  14.231   8.181   3.061
   58    HG3  MET  10           HG1      MET  10  14.902   6.765   3.870
   59    HE1  MET  10           HE1      MET  10  18.694   7.135   3.028
   60    HE2  MET  10           HE2      MET  10  17.650   6.858   1.635
   61    HE3  MET  10           HE3      MET  10  17.322   6.024   3.153
   62    HA   PRO  11           HA       PRO  11  13.942   6.789  -2.706
   63    HB2  PRO  11           HB2      PRO  11  15.019   4.464  -3.720
   64    HB3  PRO  11           HB1      PRO  11  15.978   5.851  -3.180
   65    HG2  PRO  11           HG2      PRO  11  15.346   3.321  -1.732
   66    HG3  PRO  11           HG1      PRO  11  16.866   4.230  -1.806
   67    HD2  PRO  11           HD2      PRO  11  15.228   4.381   0.339
   68    HD3  PRO  11           HD1      PRO  11  16.164   5.787  -0.222
   69    HA   PRO  12           HA       PRO  12  10.008   4.507  -2.812
   70    HB2  PRO  12           HB2      PRO  12   9.413   6.519  -4.899
   71    HB3  PRO  12           HB1      PRO  12   8.532   6.150  -3.405
   72    HG2  PRO  12           HG2      PRO  12   9.951   8.395  -3.679
   73    HG3  PRO  12           HG1      PRO  12   9.843   7.539  -2.131
   74    HD2  PRO  12           HD2      PRO  12  12.098   7.555  -4.119
   75    HD3  PRO  12           HD1      PRO  12  12.164   7.598  -2.342
   76    H    DAL  13           HN       DAL  13  10.917   2.631  -3.799
   77    HA   DAL  13           HA       DAL  13  10.659   2.615  -6.744
   78    HB1  DAL  13           HB2      DAL  13  10.670   0.011  -5.418
   79    HB2  DAL  13           HB3      DAL  13   9.363   1.056  -4.864
   80    H    TYR  14           HN       TYR  14  12.808   2.120  -4.115
   81    HA   TYR  14           HA       TYR  14  15.096   1.918  -5.747
   82    HB2  TYR  14           HB2      TYR  14  15.127   2.691  -3.407
   83    HB3  TYR  14           HB1      TYR  14  14.747   1.061  -2.866
   84    HD1  TYR  14           HD1      TYR  14  17.308   3.255  -4.306
   85    HD2  TYR  14           HD2      TYR  14  16.387  -0.755  -3.079
   86    HE1  TYR  14           HE1      TYR  14  19.717   2.679  -4.391
   87    HE2  TYR  14           HE2      TYR  14  18.796  -1.336  -3.165
   88    HH   TYR  14           HH       TYR  14  20.834  -0.583  -4.169
   89    H    TRP  15           HN       TRP  15  13.271  -0.528  -3.952
   90    HA   TRP  15           HA       TRP  15  14.917  -2.721  -4.781
   91    HB2  TRP  15           HB2      TRP  15  12.090  -3.164  -3.940
   92    HB3  TRP  15           HB1      TRP  15  13.555  -4.017  -3.455
   93    HD1  TRP  15           HD1      TRP  15  14.851  -3.148  -1.364
   94    HE1  TRP  15           HE1      TRP  15  14.373  -1.317   0.391
   95    HE3  TRP  15           HE3      TRP  15  10.953  -0.751  -3.628
   96    HZ2  TRP  15           HZ2      TRP  15  12.571   0.871   0.780
   97    HZ3  TRP  15           HZ3      TRP  15   9.877   1.201  -2.546
   98    HH2  TRP  15           HH2      TRP  15  10.679   2.014  -0.347
   99    H    GLU  16           HN       GLU  16  12.931  -0.783  -6.504
  100    HA   GLU  16           HA       GLU  16  11.628  -1.006  -8.400
  101    HB2  GLU  16           HB2      GLU  16  12.765  -2.145 -10.197
  102    HB3  GLU  16           HB1      GLU  16  13.981  -1.361  -9.190
  103    HG2  GLU  16           HG2      GLU  16  13.185  -4.205  -8.631
  104    HG3  GLU  16           HG1      GLU  16  14.338  -3.852  -9.917
  105    H    GLY  17           HN       GLY  17  10.914  -2.762  -6.130
  106    HA2  GLY  17           HA2      GLY  17   9.381  -4.751  -7.676
  107    HA3  GLY  17           HA1      GLY  17  10.247  -5.248  -6.226
  108    H    GLU  18           HN       GLU  18   9.775  -2.984  -4.625
  109    HA   GLU  18           HA       GLU  18   7.221  -3.604  -3.556
  110    HB2  GLU  18           HB2      GLU  18   9.092  -1.281  -3.039
  111    HB3  GLU  18           HB1      GLU  18   7.643  -1.618  -2.091
  112    HG2  GLU  18           HG2      GLU  18   9.911  -3.586  -2.493
  113    HG3  GLU  18           HG1      GLU  18   9.728  -2.561  -1.071
  114    H    CYS  19           HN       CYS  19   8.416  -0.970  -5.588
  115    HA   CYS  19           HA       CYS  19   5.877   0.418  -5.576
  116    HB2  CYS  19           HB2      CYS  19   7.082   1.728  -7.464
  117    HB3  CYS  19           HB1      CYS  19   7.701   1.869  -5.818
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  21.932   0.480  -0.590
    2    H2   ALA   1           HT2      ALA   1  21.744   2.113  -0.163
    3    H3   ALA   1           HT3      ALA   1  21.208   1.562  -1.678
    4    HA   ALA   1           HA       ALA   1  19.210   1.330  -0.772
    5    HB1  ALA   1           HB1      ALA   1  19.086  -0.900  -0.499
    6    HB2  ALA   1           HB2      ALA   1  19.607  -0.688   1.172
    7    HB3  ALA   1           HB3      ALA   1  20.801  -0.977  -0.093
    8    H    ALA   2           HN       ALA   2  18.539   3.035   0.401
    9    HA   ALA   2           HA       ALA   2  19.719   3.946   2.800
   10    HB1  ALA   2           HB1      ALA   2  17.308   4.564   1.219
   11    HB2  ALA   2           HB2      ALA   2  18.465   5.652   1.986
   12    HB3  ALA   2           HB3      ALA   2  17.177   4.917   2.941
   13    H    CYS   3           HN       CYS   3  17.007   1.779   2.151
   14    HA   CYS   3           HA       CYS   3  16.198   1.551   4.891
   15    HB2  CYS   3           HB2      CYS   3  15.632  -0.559   2.839
   16    HB3  CYS   3           HB1      CYS   3  14.598   0.039   4.136
   17    H    HIS   4           HN       HIS   4  18.104   1.076   6.019
   18    HA   HIS   4           HA       HIS   4  19.854  -1.055   5.424
   19    HB2  HIS   4           HB2      HIS   4  19.205   0.253   8.077
   20    HB3  HIS   4           HB1      HIS   4  20.565  -0.833   7.793
   21    HD2  HIS   4           HD2      HIS   4  19.477   2.835   6.891
   22    HE1  HIS   4           HE1      HIS   4  23.456   2.284   5.588
   23    HE2  HIS   4           HE2      HIS   4  21.604   3.992   5.907
   24    H    ASN   5           HN       ASN   5  16.756  -0.938   7.042
   25    HA   ASN   5           HA       ASN   5  17.044  -3.726   7.935
   26    HB2  ASN   5           HB2      ASN   5  14.974  -1.598   8.503
   27    HB3  ASN   5           HB1      ASN   5  14.819  -3.270   9.042
   28   HD21  ASN   5          HD21      ASN   5  15.062  -1.038  10.878
   29   HD22  ASN   5          HD22      ASN   5  16.530  -1.219  11.710
   30    H    HIS   6           HN       HIS   6  13.884  -2.575   7.276
   31    HA   HIS   6           HA       HIS   6  13.749  -3.845   4.644
   32    HB2  HIS   6           HB2      HIS   6  12.047  -5.407   5.235
   33    HB3  HIS   6           HB1      HIS   6  13.336  -5.615   6.421
   34    HD2  HIS   6           HD2      HIS   6   9.592  -4.634   6.321
   35    HE1  HIS   6           HE1      HIS   6  10.945  -3.929  10.258
   36    HE2  HIS   6           HE2      HIS   6   8.891  -4.062   8.771
   37    H    ALA   7           HN       ALA   7  11.519  -3.592   3.697
   38    HA   ALA   7           HA       ALA   7  10.774  -0.978   3.482
   39    HB1  ALA   7           HB1      ALA   7   9.009  -3.419   3.236
   40    HB2  ALA   7           HB2      ALA   7   9.937  -2.650   1.948
   41    HB3  ALA   7           HB3      ALA   7   8.566  -1.808   2.672
   42    HA   PRO   8           HA       PRO   8   8.544   0.032   3.030
   43    HB2  PRO   8           HB2      PRO   8   8.269   2.632   3.920
   44    HB3  PRO   8           HB1      PRO   8   6.932   1.477   3.770
   45    HG2  PRO   8           HG2      PRO   8   8.435   2.333   6.180
   46    HG3  PRO   8           HG1      PRO   8   6.725   1.907   6.000
   47    HD2  PRO   8           HD2      PRO   8   8.568   0.212   7.107
   48    HD3  PRO   8           HD1      PRO   8   7.117  -0.353   6.254
   49    H    DAL   9           HN       DAL   9   9.925   1.124   1.684
   50    HA   DAL   9           HA       DAL   9  12.168   1.440   1.046
   51    HB1  DAL   9           HB2      DAL   9  12.948   2.366   3.778
   52    HB2  DAL   9           HB3      DAL   9  12.720   0.638   3.502
   53    H    MET  10           HN       MET  10  13.752   3.589   2.106
   54    HA   MET  10           HA       MET  10  12.181   5.972   2.286
   55    HB2  MET  10           HB2      MET  10  14.256   6.230   3.289
   56    HB3  MET  10           HB1      MET  10  15.098   5.347   2.018
   57    HG2  MET  10           HG2      MET  10  15.057   7.178   0.545
   58    HG3  MET  10           HG1      MET  10  13.732   7.960   1.406
   59    HE1  MET  10           HE1      MET  10  16.892   7.724   0.440
   60    HE2  MET  10           HE2      MET  10  18.070   7.967   1.727
   61    HE3  MET  10           HE3      MET  10  17.326   9.361   0.948
   62    HA   PRO  11           HA       PRO  11  13.674   6.853  -2.224
   63    HB2  PRO  11           HB2      PRO  11  14.824   4.710  -3.526
   64    HB3  PRO  11           HB1      PRO  11  15.735   5.981  -2.695
   65    HG2  PRO  11           HG2      PRO  11  14.995   3.256  -1.727
   66    HG3  PRO  11           HG1      PRO  11  16.516   4.148  -1.537
   67    HD2  PRO  11           HD2      PRO  11  14.730   3.972   0.474
   68    HD3  PRO  11           HD1      PRO  11  15.685   5.452   0.211
   69    HA   PRO  12           HA       PRO  12   9.731   4.797  -3.086
   70    HB2  PRO  12           HB2      PRO  12   9.570   6.978  -5.089
   71    HB3  PRO  12           HB1      PRO  12   8.434   6.543  -3.798
   72    HG2  PRO  12           HG2      PRO  12   9.961   8.719  -3.628
   73    HG3  PRO  12           HG1      PRO  12   9.580   7.735  -2.204
   74    HD2  PRO  12           HD2      PRO  12  12.122   7.829  -3.798
   75    HD3  PRO  12           HD1      PRO  12  11.899   7.683  -2.037
   76    H    DAL  13           HN       DAL  13  10.574   2.920  -4.073
   77    HA   DAL  13           HA       DAL  13  10.527   3.008  -7.002
   78    HB1  DAL  13           HB2      DAL  13  10.863   0.370  -5.856
   79    HB2  DAL  13           HB3      DAL  13   9.506   1.219  -5.115
   80    H    TYR  14           HN       TYR  14  12.709   2.305  -4.357
   81    HA   TYR  14           HA       TYR  14  15.027   2.635  -5.932
   82    HB2  TYR  14           HB2      TYR  14  14.993   2.926  -3.496
   83    HB3  TYR  14           HB1      TYR  14  14.702   1.203  -3.286
   84    HD1  TYR  14           HD1      TYR  14  17.123   3.719  -4.530
   85    HD2  TYR  14           HD2      TYR  14  16.476  -0.391  -3.475
   86    HE1  TYR  14           HE1      TYR  14  19.564   3.308  -4.652
   87    HE2  TYR  14           HE2      TYR  14  18.919  -0.809  -3.598
   88    HH   TYR  14           HH       TYR  14  20.893   0.130  -4.609
   89    H    TRP  15           HN       TRP  15  13.399  -0.262  -4.708
   90    HA   TRP  15           HA       TRP  15  15.221  -2.049  -6.081
   91    HB2  TRP  15           HB2      TRP  15  12.636  -3.058  -5.017
   92    HB3  TRP  15           HB1      TRP  15  14.263  -3.714  -4.835
   93    HD1  TRP  15           HD1      TRP  15  15.639  -3.011  -2.739
   94    HE1  TRP  15           HE1      TRP  15  15.118  -1.575  -0.659
   95    HE3  TRP  15           HE3      TRP  15  11.226  -0.907  -4.204
   96    HZ2  TRP  15           HZ2      TRP  15  13.093   0.225   0.258
   97    HZ3  TRP  15           HZ3      TRP  15  10.023   0.664  -2.712
   98    HH2  TRP  15           HH2      TRP  15  10.949   1.231  -0.484
   99    H    GLU  16           HN       GLU  16  12.786  -0.112  -7.092
  100    HA   GLU  16           HA       GLU  16  11.272  -0.124  -8.829
  101    HB2  GLU  16           HB2      GLU  16  12.197  -0.997 -10.940
  102    HB3  GLU  16           HB1      GLU  16  13.398  -0.057 -10.052
  103    HG2  GLU  16           HG2      GLU  16  14.397  -2.114  -9.176
  104    HG3  GLU  16           HG1      GLU  16  13.168  -3.081  -9.991
  105    H    GLY  17           HN       GLY  17  11.223  -2.424  -6.841
  106    HA2  GLY  17           HA2      GLY  17   9.684  -4.319  -8.517
  107    HA3  GLY  17           HA1      GLY  17  10.607  -4.813  -7.102
  108    H    GLU  18           HN       GLU  18   9.949  -2.903  -5.259
  109    HA   GLU  18           HA       GLU  18   7.412  -3.782  -4.348
  110    HB2  GLU  18           HB2      GLU  18   9.192  -1.504  -3.465
  111    HB3  GLU  18           HB1      GLU  18   7.716  -1.975  -2.621
  112    HG2  GLU  18           HG2      GLU  18   8.601  -4.214  -2.239
  113    HG3  GLU  18           HG1      GLU  18  10.042  -3.836  -3.180
  114    H    CYS  19           HN       CYS  19   8.504  -0.849  -5.980
  115    HA   CYS  19           HA       CYS  19   5.925   0.439  -5.796
  116    HB2  CYS  19           HB2      CYS  19   7.055   2.022  -7.494
  117    HB3  CYS  19           HB1      CYS  19   7.729   1.946  -5.866
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  22.403   5.293   0.864
    2    H2   ALA   1           HT2      ALA   1  22.113   3.810   1.639
    3    H3   ALA   1           HT3      ALA   1  21.056   5.118   1.879
    4    HA   ALA   1           HA       ALA   1  20.351   5.039  -0.411
    5    HB1  ALA   1           HB1      ALA   1  21.702   4.096  -1.940
    6    HB2  ALA   1           HB2      ALA   1  21.448   2.521  -1.186
    7    HB3  ALA   1           HB3      ALA   1  22.781   3.548  -0.657
    8    H    ALA   2           HN       ALA   2  21.230   1.806   0.811
    9    HA   ALA   2           HA       ALA   2  18.580   0.803   0.599
   10    HB1  ALA   2           HB1      ALA   2  21.179  -0.172   1.620
   11    HB2  ALA   2           HB2      ALA   2  19.993  -0.978   0.593
   12    HB3  ALA   2           HB3      ALA   2  19.751  -0.915   2.339
   13    H    CYS   3           HN       CYS   3  17.026   0.437   2.149
   14    HA   CYS   3           HA       CYS   3  16.797   2.316   4.245
   15    HB2  CYS   3           HB2      CYS   3  15.285  -0.264   3.758
   16    HB3  CYS   3           HB1      CYS   3  14.807   0.987   4.908
   17    H    HIS   4           HN       HIS   4  18.094  -0.916   4.090
   18    HA   HIS   4           HA       HIS   4  19.404  -2.075   5.593
   19    HB2  HIS   4           HB2      HIS   4  19.023   0.354   7.365
   20    HB3  HIS   4           HB1      HIS   4  20.134  -0.977   7.676
   21    HD2  HIS   4           HD2      HIS   4  20.081   2.331   5.731
   22    HE1  HIS   4           HE1      HIS   4  23.440   0.186   4.338
   23    HE2  HIS   4           HE2      HIS   4  22.276   2.444   4.322
   24    H    ASN   5           HN       ASN   5  16.271  -1.496   5.730
   25    HA   ASN   5           HA       ASN   5  15.821  -3.490   7.807
   26    HB2  ASN   5           HB2      ASN   5  14.742  -0.676   7.943
   27    HB3  ASN   5           HB1      ASN   5  13.976  -2.021   8.786
   28   HD21  ASN   5          HD21      ASN   5  16.539  -3.400   9.376
   29   HD22  ASN   5          HD22      ASN   5  17.304  -2.476  10.576
   30    H    HIS   6           HN       HIS   6  13.352  -3.953   7.903
   31    HA   HIS   6           HA       HIS   6  12.526  -4.679   5.277
   32    HB2  HIS   6           HB2      HIS   6  10.572  -5.601   6.336
   33    HB3  HIS   6           HB1      HIS   6  11.950  -5.918   7.391
   34    HD2  HIS   6           HD2      HIS   6  12.081  -4.127   9.699
   35    HE1  HIS   6           HE1      HIS   6   8.041  -2.943   9.378
   36    HE2  HIS   6           HE2      HIS   6  10.090  -2.918  10.879
   37    H    ALA   7           HN       ALA   7  11.067  -3.765   3.912
   38    HA   ALA   7           HA       ALA   7  10.668  -1.108   3.674
   39    HB1  ALA   7           HB1      ALA   7   9.681  -2.000   1.856
   40    HB2  ALA   7           HB2      ALA   7   8.213  -2.058   2.831
   41    HB3  ALA   7           HB3      ALA   7   9.252  -3.479   2.716
   42    HA   PRO   8           HA       PRO   8   8.402  -0.121   2.694
   43    HB2  PRO   8           HB2      PRO   8   8.026   2.541   3.281
   44    HB3  PRO   8           HB1      PRO   8   6.707   1.364   3.128
   45    HG2  PRO   8           HG2      PRO   8   8.019   2.428   5.581
   46    HG3  PRO   8           HG1      PRO   8   6.307   2.090   5.271
   47    HD2  PRO   8           HD2      PRO   8   7.869   0.399   6.715
   48    HD3  PRO   8           HD1      PRO   8   6.537  -0.183   5.691
   49    H    DAL   9           HN       DAL   9   9.989   0.790   1.453
   50    HA   DAL   9           HA       DAL   9  12.303   1.044   1.104
   51    HB1  DAL   9           HB2      DAL   9  12.523   2.155   3.904
   52    HB2  DAL   9           HB3      DAL   9  12.693   0.437   3.537
   53    H    MET  10           HN       MET  10  13.266   3.551   2.831
   54    HA   MET  10           HA       MET  10  11.763   5.776   2.186
   55    HB2  MET  10           HB2      MET  10  13.541   6.340   3.525
   56    HB3  MET  10           HB1      MET  10  14.665   5.289   2.667
   57    HG2  MET  10           HG2      MET  10  13.525   7.652   1.218
   58    HG3  MET  10           HG1      MET  10  14.811   7.921   2.394
   59    HE1  MET  10           HE1      MET  10  15.772   9.008   0.234
   60    HE2  MET  10           HE2      MET  10  14.780   8.279  -1.027
   61    HE3  MET  10           HE3      MET  10  16.533   8.124  -1.096
   62    HA   PRO  11           HA       PRO  11  14.294   5.899  -2.043
   63    HB2  PRO  11           HB2      PRO  11  14.438   2.958  -2.459
   64    HB3  PRO  11           HB1      PRO  11  15.644   4.208  -2.816
   65    HG2  PRO  11           HG2      PRO  11  15.916   2.529  -0.759
   66    HG3  PRO  11           HG1      PRO  11  16.472   4.210  -0.682
   67    HD2  PRO  11           HD2      PRO  11  14.072   2.961   0.585
   68    HD3  PRO  11           HD1      PRO  11  15.087   4.301   1.160
   69    HA   PRO  12           HA       PRO  12   9.966   5.211  -3.258
   70    HB2  PRO  12           HB2      PRO  12  10.056   7.102  -5.276
   71    HB3  PRO  12           HB1      PRO  12   9.669   7.450  -3.581
   72    HG2  PRO  12           HG2      PRO  12  12.217   7.830  -5.056
   73    HG3  PRO  12           HG1      PRO  12  11.484   8.825  -3.786
   74    HD2  PRO  12           HD2      PRO  12  13.567   7.132  -3.301
   75    HD3  PRO  12           HD1      PRO  12  12.335   7.513  -2.076
   76    H    DAL  13           HN       DAL  13  10.388   3.112  -4.103
   77    HA   DAL  13           HA       DAL  13  10.146   2.912  -6.925
   78    HB1  DAL  13           HB2      DAL  13  10.967   0.432  -5.702
   79    HB2  DAL  13           HB3      DAL  13   9.746   1.233  -4.712
   80    H    TYR  14           HN       TYR  14  12.873   2.876  -4.774
   81    HA   TYR  14           HA       TYR  14  14.749   3.125  -6.869
   82    HB2  TYR  14           HB2      TYR  14  15.242   3.903  -4.606
   83    HB3  TYR  14           HB1      TYR  14  15.155   2.249  -4.001
   84    HD1  TYR  14           HD1      TYR  14  17.007   4.488  -6.323
   85    HD2  TYR  14           HD2      TYR  14  17.011   0.780  -4.161
   86    HE1  TYR  14           HE1      TYR  14  19.396   4.154  -6.904
   87    HE2  TYR  14           HE2      TYR  14  19.400   0.441  -4.742
   88    HH   TYR  14           HH       TYR  14  21.374   2.845  -5.858
   89    H    TRP  15           HN       TRP  15  13.798   0.344  -4.887
   90    HA   TRP  15           HA       TRP  15  15.581  -1.482  -6.186
   91    HB2  TRP  15           HB2      TRP  15  13.061  -2.422  -4.880
   92    HB3  TRP  15           HB1      TRP  15  14.689  -3.092  -4.788
   93    HD1  TRP  15           HD1      TRP  15  16.274  -2.221  -2.917
   94    HE1  TRP  15           HE1      TRP  15  15.956  -0.619  -0.922
   95    HE3  TRP  15           HE3      TRP  15  11.738  -0.210  -4.116
   96    HZ2  TRP  15           HZ2      TRP  15  14.029   1.265   0.036
   97    HZ3  TRP  15           HZ3      TRP  15  10.686   1.485  -2.648
   98    HH2  TRP  15           HH2      TRP  15  11.825   2.224  -0.574
   99    H    GLU  16           HN       GLU  16  12.879   0.143  -7.198
  100    HA   GLU  16           HA       GLU  16  11.288  -0.187  -8.836
  101    HB2  GLU  16           HB2      GLU  16  13.276   0.217 -10.161
  102    HB3  GLU  16           HB1      GLU  16  13.738  -1.477 -10.051
  103    HG2  GLU  16           HG2      GLU  16  11.688  -2.122 -11.263
  104    HG3  GLU  16           HG1      GLU  16  11.204  -0.429 -11.349
  105    H    GLY  17           HN       GLY  17  10.266  -1.717  -7.236
  106    HA2  GLY  17           HA2      GLY  17   9.196  -3.942  -8.535
  107    HA3  GLY  17           HA1      GLY  17  10.503  -4.526  -7.508
  108    H    GLU  18           HN       GLU  18  10.320  -2.877  -5.320
  109    HA   GLU  18           HA       GLU  18   8.165  -4.031  -3.872
  110    HB2  GLU  18           HB2      GLU  18  10.008  -1.727  -3.190
  111    HB3  GLU  18           HB1      GLU  18   8.890  -2.483  -2.053
  112    HG2  GLU  18           HG2      GLU  18  11.083  -3.948  -3.547
  113    HG3  GLU  18           HG1      GLU  18  11.197  -3.407  -1.874
  114    H    CYS  19           HN       CYS  19   8.720  -0.828  -5.262
  115    HA   CYS  19           HA       CYS  19   6.462   0.476  -4.222
  116    HB2  CYS  19           HB2      CYS  19   6.750   1.715  -6.602
  117    HB3  CYS  19           HB1      CYS  19   7.806   2.027  -5.223
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  22.682   0.705  -0.778
    2    H2   ALA   1           HT2      ALA   1  23.150   2.275  -1.230
    3    H3   ALA   1           HT3      ALA   1  21.508   1.842  -1.229
    4    HA   ALA   1           HA       ALA   1  22.777   1.428   1.311
    5    HB1  ALA   1           HB1      ALA   1  23.126   3.969  -0.133
    6    HB2  ALA   1           HB2      ALA   1  23.967   3.361   1.292
    7    HB3  ALA   1           HB3      ALA   1  22.399   4.146   1.464
    8    H    ALA   2           HN       ALA   2  20.497   0.387   0.484
    9    HA   ALA   2           HA       ALA   2  18.177   1.993   0.626
   10    HB1  ALA   2           HB1      ALA   2  18.179  -0.862   1.544
   11    HB2  ALA   2           HB2      ALA   2  18.502  -0.490  -0.150
   12    HB3  ALA   2           HB3      ALA   2  16.976   0.001   0.586
   13    H    CYS   3           HN       CYS   3  16.738   2.384   2.315
   14    HA   CYS   3           HA       CYS   3  17.358   3.353   4.653
   15    HB2  CYS   3           HB2      CYS   3  15.206   1.242   4.402
   16    HB3  CYS   3           HB1      CYS   3  15.317   2.451   5.682
   17    H    HIS   4           HN       HIS   4  16.044   0.368   5.643
   18    HA   HIS   4           HA       HIS   4  18.628  -0.472   6.790
   19    HB2  HIS   4           HB2      HIS   4  17.082   0.685   8.435
   20    HB3  HIS   4           HB1      HIS   4  15.976  -0.673   8.220
   21    HD2  HIS   4           HD2      HIS   4  19.653  -1.784   8.171
   22    HE1  HIS   4           HE1      HIS   4  18.233  -2.519  12.081
   23    HE2  HIS   4           HE2      HIS   4  20.153  -2.933  10.470
   24    H    ASN   5           HN       ASN   5  15.405  -1.391   5.677
   25    HA   ASN   5           HA       ASN   5  16.442  -4.098   5.145
   26    HB2  ASN   5           HB2      ASN   5  13.758  -3.498   6.414
   27    HB3  ASN   5           HB1      ASN   5  14.342  -5.091   5.935
   28   HD21  ASN   5          HD21      ASN   5  16.614  -5.643   6.980
   29   HD22  ASN   5          HD22      ASN   5  16.794  -5.206   8.610
   30    H    HIS   6           HN       HIS   6  13.760  -4.960   4.315
   31    HA   HIS   6           HA       HIS   6  13.886  -4.199   1.584
   32    HB2  HIS   6           HB2      HIS   6  11.810  -5.673   3.206
   33    HB3  HIS   6           HB1      HIS   6  11.631  -5.380   1.475
   34    HD2  HIS   6           HD2      HIS   6  13.211  -7.023  -0.166
   35    HE1  HIS   6           HE1      HIS   6  15.249  -9.032   2.938
   36    HE2  HIS   6           HE2      HIS   6  14.846  -8.969   0.431
   37    H    ALA   7           HN       ALA   7  11.884  -3.155   4.298
   38    HA   ALA   7           HA       ALA   7  11.417  -0.584   3.392
   39    HB1  ALA   7           HB1      ALA   7   9.829  -2.553   1.968
   40    HB2  ALA   7           HB2      ALA   7   9.993  -0.821   1.674
   41    HB3  ALA   7           HB3      ALA   7   8.803  -1.409   2.835
   42    HA   PRO   8           HA       PRO   8   9.081   0.429   3.183
   43    HB2  PRO   8           HB2      PRO   8   8.271   2.654   4.530
   44    HB3  PRO   8           HB1      PRO   8   7.201   1.291   4.160
   45    HG2  PRO   8           HG2      PRO   8   8.472   2.056   6.710
   46    HG3  PRO   8           HG1      PRO   8   6.944   1.216   6.409
   47    HD2  PRO   8           HD2      PRO   8   9.335  -0.006   7.214
   48    HD3  PRO   8           HD1      PRO   8   7.932  -0.837   6.515
   49    H    DAL   9           HN       DAL   9  10.440   1.747   2.149
   50    HA   DAL   9           HA       DAL   9  12.735   2.444   1.933
   51    HB1  DAL   9           HB2      DAL   9  12.557   3.619   4.696
   52    HB2  DAL   9           HB3      DAL   9  13.015   1.933   4.450
   53    H    MET  10           HN       MET  10  13.660   4.855   2.314
   54    HA   MET  10           HA       MET  10  11.627   6.895   2.327
   55    HB2  MET  10           HB2      MET  10  13.665   7.616   3.236
   56    HB3  MET  10           HB1      MET  10  14.611   6.868   1.952
   57    HG2  MET  10           HG2      MET  10  12.637   8.963   1.161
   58    HG3  MET  10           HG1      MET  10  14.108   9.498   1.973
   59    HE1  MET  10           HE1      MET  10  16.456   9.823   0.562
   60    HE2  MET  10           HE2      MET  10  16.969   8.267  -0.086
   61    HE3  MET  10           HE3      MET  10  16.279   8.355   1.532
   62    HA   PRO  11           HA       PRO  11  12.861   7.184  -2.328
   63    HB2  PRO  11           HB2      PRO  11  14.266   5.080  -3.366
   64    HB3  PRO  11           HB1      PRO  11  15.030   6.527  -2.690
   65    HG2  PRO  11           HG2      PRO  11  14.625   3.853  -1.437
   66    HG3  PRO  11           HG1      PRO  11  16.024   4.937  -1.359
   67    HD2  PRO  11           HD2      PRO  11  14.214   4.736   0.663
   68    HD3  PRO  11           HD1      PRO  11  15.091   6.240   0.308
   69    HA   PRO  12           HA       PRO  12   9.333   4.400  -2.800
   70    HB2  PRO  12           HB2      PRO  12   8.057   5.926  -4.675
   71    HB3  PRO  12           HB1      PRO  12   7.993   6.258  -2.934
   72    HG2  PRO  12           HG2      PRO  12   9.607   7.568  -5.054
   73    HG3  PRO  12           HG1      PRO  12   8.838   8.268  -3.619
   74    HD2  PRO  12           HD2      PRO  12  11.533   7.696  -3.792
   75    HD3  PRO  12           HD1      PRO  12  10.633   7.785  -2.262
   76    H    DAL  13           HN       DAL  13  10.571   2.715  -3.798
   77    HA   DAL  13           HA       DAL  13  10.465   2.780  -6.758
   78    HB1  DAL  13           HB2      DAL  13  10.672   0.149  -5.468
   79    HB2  DAL  13           HB3      DAL  13   9.196   1.027  -5.070
   80    H    TYR  14           HN       TYR  14  12.485   2.505  -4.023
   81    HA   TYR  14           HA       TYR  14  14.875   2.561  -5.515
   82    HB2  TYR  14           HB2      TYR  14  14.650   3.341  -3.175
   83    HB3  TYR  14           HB1      TYR  14  14.477   1.672  -2.650
   84    HD1  TYR  14           HD1      TYR  14  16.778   4.233  -3.877
   85    HD2  TYR  14           HD2      TYR  14  16.364   0.086  -2.849
   86    HE1  TYR  14           HE1      TYR  14  19.244   4.002  -3.828
   87    HE2  TYR  14           HE2      TYR  14  18.831  -0.150  -2.801
   88    HH   TYR  14           HH       TYR  14  20.924   2.467  -2.710
   89    H    TRP  15           HN       TRP  15  13.217  -0.063  -3.826
   90    HA   TRP  15           HA       TRP  15  15.161  -2.054  -4.564
   91    HB2  TRP  15           HB2      TRP  15  12.423  -2.876  -3.754
   92    HB3  TRP  15           HB1      TRP  15  13.987  -3.456  -3.186
   93    HD1  TRP  15           HD1      TRP  15  15.006  -2.346  -1.066
   94    HE1  TRP  15           HE1      TRP  15  14.180  -0.531   0.576
   95    HE3  TRP  15           HE3      TRP  15  10.947  -0.613  -3.632
   96    HZ2  TRP  15           HZ2      TRP  15  12.073   1.392   0.768
   97    HZ3  TRP  15           HZ3      TRP  15   9.554   1.210  -2.701
   98    HH2  TRP  15           HH2      TRP  15  10.109   2.214  -0.504
   99    H    GLU  16           HN       GLU  16  12.940  -0.399  -6.312
  100    HA   GLU  16           HA       GLU  16  11.689  -0.805  -8.210
  101    HB2  GLU  16           HB2      GLU  16  12.965  -1.894  -9.981
  102    HB3  GLU  16           HB1      GLU  16  14.021  -0.835  -9.045
  103    HG2  GLU  16           HG2      GLU  16  14.811  -2.774  -7.740
  104    HG3  GLU  16           HG1      GLU  16  13.758  -3.834  -8.675
  105    H    GLY  17           HN       GLY  17  11.368  -2.714  -5.885
  106    HA2  GLY  17           HA2      GLY  17  10.230  -4.986  -7.408
  107    HA3  GLY  17           HA1      GLY  17  10.877  -5.136  -5.776
  108    H    GLU  18           HN       GLU  18   9.810  -2.979  -4.493
  109    HA   GLU  18           HA       GLU  18   7.164  -3.839  -3.933
  110    HB2  GLU  18           HB2      GLU  18   8.654  -1.322  -3.160
  111    HB3  GLU  18           HB1      GLU  18   7.076  -1.775  -2.517
  112    HG2  GLU  18           HG2      GLU  18   9.568  -3.490  -2.329
  113    HG3  GLU  18           HG1      GLU  18   8.948  -2.476  -1.027
  114    H    CYS  19           HN       CYS  19   8.492  -1.174  -5.831
  115    HA   CYS  19           HA       CYS  19   5.840  -0.132  -6.435
  116    HB2  CYS  19           HB2      CYS  19   7.170   1.478  -7.868
  117    HB3  CYS  19           HB1      CYS  19   7.546   1.519  -6.146
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1  19.016  -1.864  -1.352
    2    H2   ALA   1           HT2      ALA   1  19.278  -0.207  -1.076
    3    H3   ALA   1           HT3      ALA   1  17.928  -0.720  -1.974
    4    HA   ALA   1           HA       ALA   1  16.796  -0.553  -0.078
    5    HB1  ALA   1           HB1      ALA   1  18.476  -3.025   0.405
    6    HB2  ALA   1           HB2      ALA   1  16.841  -2.946  -0.252
    7    HB3  ALA   1           HB3      ALA   1  17.129  -2.563   1.445
    8    H    ALA   2           HN       ALA   2  18.038   1.468   0.420
    9    HA   ALA   2           HA       ALA   2  20.213   1.499   2.224
   10    HB1  ALA   2           HB1      ALA   2  18.393   3.435   1.031
   11    HB2  ALA   2           HB2      ALA   2  20.083   3.623   1.499
   12    HB3  ALA   2           HB3      ALA   2  18.806   3.846   2.697
   13    H    CYS   3           HN       CYS   3  16.716   1.525   2.698
   14    HA   CYS   3           HA       CYS   3  16.327   2.219   5.264
   15    HB2  CYS   3           HB2      CYS   3  15.202  -0.455   4.634
   16    HB3  CYS   3           HB1      CYS   3  14.396   0.997   5.225
   17    H    HIS   4           HN       HIS   4  17.511   1.886   7.011
   18    HA   HIS   4           HA       HIS   4  19.455  -0.070   7.372
   19    HB2  HIS   4           HB2      HIS   4  18.824   0.415   9.927
   20    HB3  HIS   4           HB1      HIS   4  19.693   1.589   8.938
   21    HD2  HIS   4           HD2      HIS   4  18.108   3.823   8.076
   22    HE1  HIS   4           HE1      HIS   4  14.773   2.891  10.490
   23    HE2  HIS   4           HE2      HIS   4  15.817   4.665   9.004
   24    H    ASN   5           HN       ASN   5  16.027  -0.099   8.268
   25    HA   ASN   5           HA       ASN   5  16.279  -2.813   9.338
   26    HB2  ASN   5           HB2      ASN   5  14.896  -1.092  10.511
   27    HB3  ASN   5           HB1      ASN   5  13.816  -1.070   9.118
   28   HD21  ASN   5          HD21      ASN   5  12.059  -1.924  10.509
   29   HD22  ASN   5          HD22      ASN   5  12.042  -3.564  10.949
   30    H    HIS   6           HN       HIS   6  16.177  -1.644   6.354
   31    HA   HIS   6           HA       HIS   6  15.672  -2.589   4.320
   32    HB2  HIS   6           HB2      HIS   6  14.731  -4.902   6.032
   33    HB3  HIS   6           HB1      HIS   6  14.875  -4.941   4.274
   34    HD2  HIS   6           HD2      HIS   6  17.088  -5.555   7.331
   35    HE1  HIS   6           HE1      HIS   6  19.725  -5.009   4.080
   36    HE2  HIS   6           HE2      HIS   6  19.554  -5.765   6.498
   37    H    ALA   7           HN       ALA   7  13.621  -3.738   3.198
   38    HA   ALA   7           HA       ALA   7  11.630  -2.062   2.789
   39    HB1  ALA   7           HB1      ALA   7  10.909  -3.858   1.656
   40    HB2  ALA   7           HB2      ALA   7  10.186  -4.446   3.155
   41    HB3  ALA   7           HB3      ALA   7  11.819  -4.942   2.709
   42    HA   PRO   8           HA       PRO   8   9.648  -1.301   2.616
   43    HB2  PRO   8           HB2      PRO   8   8.900   1.185   3.528
   44    HB3  PRO   8           HB1      PRO   8   7.804  -0.204   3.419
   45    HG2  PRO   8           HG2      PRO   8   9.199   0.926   5.784
   46    HG3  PRO   8           HG1      PRO   8   7.582   0.212   5.655
   47    HD2  PRO   8           HD2      PRO   8   9.737  -1.128   6.699
   48    HD3  PRO   8           HD1      PRO   8   8.368  -1.943   5.914
   49    H    DAL   9           HN       DAL   9  10.139   1.348   2.070
   50    HA   DAL   9           HA       DAL   9  12.639   1.620   1.243
   51    HB1  DAL   9           HB2      DAL   9  13.502   3.054   3.430
   52    HB2  DAL   9           HB3      DAL   9  12.707   1.670   4.177
   53    H    MET  10           HN       MET  10  13.566   4.068   1.689
   54    HA   MET  10           HA       MET  10  11.294   5.926   1.695
   55    HB2  MET  10           HB2      MET  10  13.084   6.645   3.105
   56    HB3  MET  10           HB1      MET  10  14.283   6.350   1.847
   57    HG2  MET  10           HG2      MET  10  12.500   8.065   0.605
   58    HG3  MET  10           HG1      MET  10  12.550   8.678   2.258
   59    HE1  MET  10           HE1      MET  10  15.545   6.824   0.216
   60    HE2  MET  10           HE2      MET  10  15.941   8.236  -0.761
   61    HE3  MET  10           HE3      MET  10  14.310   7.573  -0.806
   62    HA   PRO  11           HA       PRO  11  13.689   6.614  -2.565
   63    HB2  PRO  11           HB2      PRO  11  14.331   3.749  -3.037
   64    HB3  PRO  11           HB1      PRO  11  15.289   5.194  -3.405
   65    HG2  PRO  11           HG2      PRO  11  15.920   3.574  -1.386
   66    HG3  PRO  11           HG1      PRO  11  16.150   5.328  -1.285
   67    HD2  PRO  11           HD2      PRO  11  14.041   3.628  -0.014
   68    HD3  PRO  11           HD1      PRO  11  14.820   5.106   0.593
   69    HA   PRO  12           HA       PRO  12   9.512   5.281  -3.715
   70    HB2  PRO  12           HB2      PRO  12   9.848   7.380  -5.762
   71    HB3  PRO  12           HB1      PRO  12   8.615   7.222  -4.498
   72    HG2  PRO  12           HG2      PRO  12  10.555   9.072  -4.391
   73    HG3  PRO  12           HG1      PRO  12   9.880   8.311  -2.940
   74    HD2  PRO  12           HD2      PRO  12  12.495   7.774  -4.306
   75    HD3  PRO  12           HD1      PRO  12  12.107   7.777  -2.569
   76    H    DAL  13           HN       DAL  13  10.187   3.257  -4.590
   77    HA   DAL  13           HA       DAL  13   9.993   3.138  -7.457
   78    HB1  DAL  13           HB2      DAL  13  10.741   0.645  -6.165
   79    HB2  DAL  13           HB3      DAL  13   9.385   1.429  -5.356
   80    H    TYR  14           HN       TYR  14  12.608   3.211  -5.216
   81    HA   TYR  14           HA       TYR  14  14.582   3.413  -7.199
   82    HB2  TYR  14           HB2      TYR  14  14.965   4.191  -4.925
   83    HB3  TYR  14           HB1      TYR  14  14.824   2.544  -4.312
   84    HD1  TYR  14           HD1      TYR  14  16.825   4.690  -6.622
   85    HD2  TYR  14           HD2      TYR  14  16.681   1.105  -4.262
   86    HE1  TYR  14           HE1      TYR  14  19.240   4.312  -7.048
   87    HE2  TYR  14           HE2      TYR  14  19.092   0.725  -4.687
   88    HH   TYR  14           HH       TYR  14  20.787   2.181  -7.080
   89    H    TRP  15           HN       TRP  15  13.591   0.647  -5.211
   90    HA   TRP  15           HA       TRP  15  15.429  -1.210  -6.308
   91    HB2  TRP  15           HB2      TRP  15  12.736  -2.050  -5.291
   92    HB3  TRP  15           HB1      TRP  15  14.307  -2.817  -5.059
   93    HD1  TRP  15           HD1      TRP  15  15.800  -1.997  -3.077
   94    HE1  TRP  15           HE1      TRP  15  15.390  -0.395  -1.098
   95    HE3  TRP  15           HE3      TRP  15  11.436   0.170  -4.591
   96    HZ2  TRP  15           HZ2      TRP  15  13.461   1.552  -0.274
   97    HZ3  TRP  15           HZ3      TRP  15  10.334   1.894  -3.195
   98    HH2  TRP  15           HH2      TRP  15  11.340   2.588  -1.038
   99    H    GLU  16           HN       GLU  16  12.215  -0.130  -7.239
  100    HA   GLU  16           HA       GLU  16  11.235  -0.250  -9.344
  101    HB2  GLU  16           HB2      GLU  16  12.477  -0.896 -11.128
  102    HB3  GLU  16           HB1      GLU  16  13.799  -0.944  -9.963
  103    HG2  GLU  16           HG2      GLU  16  13.031  -3.384  -9.514
  104    HG3  GLU  16           HG1      GLU  16  12.153  -3.232 -11.033
  105    H    GLY  17           HN       GLY  17  11.066  -2.117  -6.888
  106    HA2  GLY  17           HA2      GLY  17   9.277  -4.080  -8.179
  107    HA3  GLY  17           HA1      GLY  17  10.435  -4.607  -6.963
  108    H    GLU  18           HN       GLU  18  10.212  -2.352  -5.226
  109    HA   GLU  18           HA       GLU  18   7.991  -3.146  -3.652
  110    HB2  GLU  18           HB2      GLU  18   9.779  -0.709  -3.514
  111    HB3  GLU  18           HB1      GLU  18   8.566  -1.106  -2.297
  112    HG2  GLU  18           HG2      GLU  18   9.663  -3.242  -1.849
  113    HG3  GLU  18           HG1      GLU  18  10.835  -2.935  -3.130
  114    H    CYS  19           HN       CYS  19   8.557  -0.375  -5.785
  115    HA   CYS  19           HA       CYS  19   6.129   0.976  -5.230
  116    HB2  CYS  19           HB2      CYS  19   6.649   1.803  -7.729
  117    HB3  CYS  19           HB1      CYS  19   7.547   2.396  -6.332
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1  21.745   0.289   1.785
    2    H2   ALA   1           HT2      ALA   1  20.631  -0.695   2.609
    3    H3   ALA   1           HT3      ALA   1  22.256  -1.177   2.472
    4    HA   ALA   1           HA       ALA   1  21.751  -0.320   4.692
    5    HB1  ALA   1           HB1      ALA   1  23.660   1.194   4.812
    6    HB2  ALA   1           HB2      ALA   1  23.574   1.485   3.074
    7    HB3  ALA   1           HB3      ALA   1  24.026  -0.108   3.678
    8    H    ALA   2           HN       ALA   2  20.908   1.731   1.999
    9    HA   ALA   2           HA       ALA   2  20.308   4.119   3.344
   10    HB1  ALA   2           HB1      ALA   2  18.882   2.947   0.942
   11    HB2  ALA   2           HB2      ALA   2  20.380   3.876   0.873
   12    HB3  ALA   2           HB3      ALA   2  18.892   4.642   1.428
   13    H    CYS   3           HN       CYS   3  18.224   1.331   2.593
   14    HA   CYS   3           HA       CYS   3  15.989   2.422   4.049
   15    HB2  CYS   3           HB2      CYS   3  16.555  -0.155   2.621
   16    HB3  CYS   3           HB1      CYS   3  15.166  -0.040   3.702
   17    H    HIS   4           HN       HIS   4  18.706   0.373   4.731
   18    HA   HIS   4           HA       HIS   4  19.525  -0.439   6.718
   19    HB2  HIS   4           HB2      HIS   4  17.192   1.085   7.900
   20    HB3  HIS   4           HB1      HIS   4  18.451   0.290   8.844
   21    HD2  HIS   4           HD2      HIS   4  17.873   3.648   7.086
   22    HE1  HIS   4           HE1      HIS   4  22.019   3.416   7.843
   23    HE2  HIS   4           HE2      HIS   4  20.134   4.954   7.118
   24    H    ASN   5           HN       ASN   5  16.047  -0.456   7.464
   25    HA   ASN   5           HA       ASN   5  16.216  -3.349   7.918
   26    HB2  ASN   5           HB2      ASN   5  14.155  -1.262   8.636
   27    HB3  ASN   5           HB1      ASN   5  13.893  -2.990   8.875
   28   HD21  ASN   5          HD21      ASN   5  14.042  -1.107  11.075
   29   HD22  ASN   5          HD22      ASN   5  15.425  -1.490  11.982
   30    H    HIS   6           HN       HIS   6  15.873  -1.653   5.276
   31    HA   HIS   6           HA       HIS   6  14.979  -2.120   3.207
   32    HB2  HIS   6           HB2      HIS   6  13.856  -4.554   4.612
   33    HB3  HIS   6           HB1      HIS   6  13.844  -4.287   2.868
   34    HD2  HIS   6           HD2      HIS   6  16.240  -5.609   5.587
   35    HE1  HIS   6           HE1      HIS   6  18.537  -5.133   2.076
   36    HE2  HIS   6           HE2      HIS   6  18.529  -6.092   4.428
   37    H    ALA   7           HN       ALA   7  12.526  -3.045   2.418
   38    HA   ALA   7           HA       ALA   7  10.817  -0.959   2.569
   39    HB1  ALA   7           HB1      ALA   7   9.476  -3.590   2.788
   40    HB2  ALA   7           HB2      ALA   7  10.640  -3.412   1.475
   41    HB3  ALA   7           HB3      ALA   7   9.269  -2.311   1.591
   42    HA   PRO   8           HA       PRO   8   8.918   0.087   2.894
   43    HB2  PRO   8           HB2      PRO   8   9.109   2.207   4.943
   44    HB3  PRO   8           HB1      PRO   8   7.742   1.765   3.905
   45    HG2  PRO   8           HG2      PRO   8   7.778   1.258   6.539
   46    HG3  PRO   8           HG1      PRO   8   6.957   0.207   5.374
   47    HD2  PRO   8           HD2      PRO   8   9.579  -0.209   6.765
   48    HD3  PRO   8           HD1      PRO   8   8.339  -1.396   6.308
   49    H    DAL   9           HN       DAL   9  10.279   1.045   1.554
   50    HA   DAL   9           HA       DAL   9  12.474   1.427   0.772
   51    HB1  DAL   9           HB2      DAL   9  13.460   2.397   3.404
   52    HB2  DAL   9           HB3      DAL   9  13.157   0.666   3.248
   53    H    MET  10           HN       MET  10  14.058   3.603   1.505
   54    HA   MET  10           HA       MET  10  12.496   5.951   1.984
   55    HB2  MET  10           HB2      MET  10  15.284   5.282   1.592
   56    HB3  MET  10           HB1      MET  10  14.848   6.711   0.654
   57    HG2  MET  10           HG2      MET  10  13.577   7.259   2.993
   58    HG3  MET  10           HG1      MET  10  14.963   6.344   3.589
   59    HE1  MET  10           HE1      MET  10  16.673   7.577   0.513
   60    HE2  MET  10           HE2      MET  10  17.045   6.543   1.890
   61    HE3  MET  10           HE3      MET  10  17.878   8.084   1.706
   62    HA   PRO  11           HA       PRO  11  12.986   6.867  -2.709
   63    HB2  PRO  11           HB2      PRO  11  14.123   4.885  -4.246
   64    HB3  PRO  11           HB1      PRO  11  15.029   6.230  -3.532
   65    HG2  PRO  11           HG2      PRO  11  14.755   3.422  -2.568
   66    HG3  PRO  11           HG1      PRO  11  16.178   4.478  -2.585
   67    HD2  PRO  11           HD2      PRO  11  14.739   4.037  -0.330
   68    HD3  PRO  11           HD1      PRO  11  15.538   5.593  -0.652
   69    HA   PRO  12           HA       PRO  12   9.223   4.362  -2.937
   70    HB2  PRO  12           HB2      PRO  12   8.414   6.505  -4.806
   71    HB3  PRO  12           HB1      PRO  12   7.632   5.952  -3.315
   72    HG2  PRO  12           HG2      PRO  12   8.913   8.298  -3.459
   73    HG3  PRO  12           HG1      PRO  12   8.901   7.316  -1.984
   74    HD2  PRO  12           HD2      PRO  12  11.094   7.651  -4.003
   75    HD3  PRO  12           HD1      PRO  12  11.200   7.496  -2.234
   76    H    DAL  13           HN       DAL  13  10.179   2.634  -4.129
   77    HA   DAL  13           HA       DAL  13   9.546   2.733  -6.992
   78    HB1  DAL  13           HB2      DAL  13  10.407   0.147  -6.042
   79    HB2  DAL  13           HB3      DAL  13   9.158   0.809  -4.987
   80    H    TYR  14           HN       TYR  14  12.246   2.254  -4.812
   81    HA   TYR  14           HA       TYR  14  14.177   2.931  -6.752
   82    HB2  TYR  14           HB2      TYR  14  14.550   3.129  -4.332
   83    HB3  TYR  14           HB1      TYR  14  14.525   1.376  -4.180
   84    HD1  TYR  14           HD1      TYR  14  16.389   4.283  -5.431
   85    HD2  TYR  14           HD2      TYR  14  16.361   0.011  -5.027
   86    HE1  TYR  14           HE1      TYR  14  18.800   4.217  -6.012
   87    HE2  TYR  14           HE2      TYR  14  18.773  -0.062  -5.610
   88    HH   TYR  14           HH       TYR  14  20.731   2.713  -5.665
   89    H    TRP  15           HN       TRP  15  13.178  -0.197  -5.417
   90    HA   TRP  15           HA       TRP  15  14.894  -1.678  -7.229
   91    HB2  TRP  15           HB2      TRP  15  12.749  -3.072  -5.723
   92    HB3  TRP  15           HB1      TRP  15  14.453  -3.487  -5.900
   93    HD1  TRP  15           HD1      TRP  15  16.112  -2.650  -4.078
   94    HE1  TRP  15           HE1      TRP  15  15.828  -1.358  -1.862
   95    HE3  TRP  15           HE3      TRP  15  11.250  -1.167  -4.538
   96    HZ2  TRP  15           HZ2      TRP  15  13.802   0.109  -0.472
   97    HZ3  TRP  15           HZ3      TRP  15  10.169   0.175  -2.758
   98    HH2  TRP  15           HH2      TRP  15  11.438   0.814  -0.726
   99    H    GLU  16           HN       GLU  16  12.123  -0.036  -7.662
  100    HA   GLU  16           HA       GLU  16  10.277  -0.209  -9.033
  101    HB2  GLU  16           HB2      GLU  16  10.810  -0.742 -11.312
  102    HB3  GLU  16           HB1      GLU  16  12.216   0.063 -10.615
  103    HG2  GLU  16           HG2      GLU  16  13.316  -2.079 -10.250
  104    HG3  GLU  16           HG1      GLU  16  11.887  -2.944 -10.814
  105    H    GLY  17           HN       GLY  17  10.793  -2.471  -7.144
  106    HA2  GLY  17           HA2      GLY  17   9.196  -4.524  -8.562
  107    HA3  GLY  17           HA1      GLY  17  10.454  -4.939  -7.402
  108    H    GLU  18           HN       GLU  18  10.001  -3.151  -5.370
  109    HA   GLU  18           HA       GLU  18   7.832  -4.348  -3.988
  110    HB2  GLU  18           HB2      GLU  18   9.484  -1.889  -3.379
  111    HB3  GLU  18           HB1      GLU  18   8.292  -2.569  -2.271
  112    HG2  GLU  18           HG2      GLU  18   9.503  -4.695  -2.226
  113    HG3  GLU  18           HG1      GLU  18  10.667  -4.079  -3.398
  114    H    CYS  19           HN       CYS  19   8.232  -1.215  -5.593
  115    HA   CYS  19           HA       CYS  19   5.667  -0.210  -4.812
  116    HB2  CYS  19           HB2      CYS  19   6.170   1.398  -6.795
  117    HB3  CYS  19           HB1      CYS  19   7.195   1.471  -5.361
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1  22.190  -0.866   4.998
    2    H2   ALA   1           HT2      ALA   1  20.975  -1.668   5.876
    3    H3   ALA   1           HT3      ALA   1  20.856   0.002   5.584
    4    HA   ALA   1           HA       ALA   1  21.025  -1.840   3.304
    5    HB1  ALA   1           HB1      ALA   1  18.937  -1.836   5.316
    6    HB2  ALA   1           HB2      ALA   1  19.113  -2.874   3.900
    7    HB3  ALA   1           HB3      ALA   1  18.300  -1.317   3.755
    8    H    ALA   2           HN       ALA   2  18.826  -0.747   2.013
    9    HA   ALA   2           HA       ALA   2  19.885   1.677   1.004
   10    HB1  ALA   2           HB1      ALA   2  17.149   0.421   0.701
   11    HB2  ALA   2           HB2      ALA   2  18.511   0.280  -0.409
   12    HB3  ALA   2           HB3      ALA   2  17.697   1.831  -0.206
   13    H    CYS   3           HN       CYS   3  17.299   0.959   3.300
   14    HA   CYS   3           HA       CYS   3  17.136   3.850   3.915
   15    HB2  CYS   3           HB2      CYS   3  14.840   2.406   4.863
   16    HB3  CYS   3           HB1      CYS   3  14.908   3.737   3.708
   17    H    HIS   4           HN       HIS   4  18.842   1.592   4.998
   18    HA   HIS   4           HA       HIS   4  19.740   1.076   7.052
   19    HB2  HIS   4           HB2      HIS   4  17.775   3.042   8.235
   20    HB3  HIS   4           HB1      HIS   4  19.314   2.512   8.911
   21    HD2  HIS   4           HD2      HIS   4  20.021   3.130   5.283
   22    HE1  HIS   4           HE1      HIS   4  20.662   6.872   7.127
   23    HE2  HIS   4           HE2      HIS   4  21.013   5.529   5.002
   24    H    ASN   5           HN       ASN   5  16.721   0.372   6.054
   25    HA   ASN   5           HA       ASN   5  16.389  -1.676   8.081
   26    HB2  ASN   5           HB2      ASN   5  15.224   0.482   8.894
   27    HB3  ASN   5           HB1      ASN   5  14.052   0.164   7.616
   28   HD21  ASN   5          HD21      ASN   5  15.711  -1.730  10.219
   29   HD22  ASN   5          HD22      ASN   5  14.315  -2.583  10.673
   30    H    HIS   6           HN       HIS   6  14.555  -3.145   7.533
   31    HA   HIS   6           HA       HIS   6  14.632  -3.810   4.754
   32    HB2  HIS   6           HB2      HIS   6  12.954  -4.907   7.021
   33    HB3  HIS   6           HB1      HIS   6  13.019  -5.598   5.399
   34    HD2  HIS   6           HD2      HIS   6  14.963  -5.837   8.683
   35    HE1  HIS   6           HE1      HIS   6  17.512  -7.408   5.707
   36    HE2  HIS   6           HE2      HIS   6  17.165  -7.161   8.209
   37    H    ALA   7           HN       ALA   7  13.032  -3.685   3.209
   38    HA   ALA   7           HA       ALA   7  11.541  -1.535   2.798
   39    HB1  ALA   7           HB1      ALA   7  10.125  -2.760   1.336
   40    HB2  ALA   7           HB2      ALA   7  10.300  -4.234   2.287
   41    HB3  ALA   7           HB3      ALA   7  11.661  -3.625   1.345
   42    HA   PRO   8           HA       PRO   8   9.330  -1.036   1.860
   43    HB2  PRO   8           HB2      PRO   8   8.308   1.341   3.268
   44    HB3  PRO   8           HB1      PRO   8   7.582   0.424   1.935
   45    HG2  PRO   8           HG2      PRO   8   6.611   0.360   4.439
   46    HG3  PRO   8           HG1      PRO   8   6.514  -1.022   3.335
   47    HD2  PRO   8           HD2      PRO   8   8.364  -0.591   5.654
   48    HD3  PRO   8           HD1      PRO   8   7.615  -2.091   5.068
   49    H    DAL   9           HN       DAL   9  10.785   0.276   0.898
   50    HA   DAL   9           HA       DAL   9  12.998   1.095   0.847
   51    HB1  DAL   9           HB2      DAL   9  12.824   2.236   3.593
   52    HB2  DAL   9           HB3      DAL   9  12.971   0.484   3.439
   53    H    MET  10           HN       MET  10  13.722   3.559   2.134
   54    HA   MET  10           HA       MET  10  11.747   5.557   1.874
   55    HB2  MET  10           HB2      MET  10  13.620   6.245   3.078
   56    HB3  MET  10           HB1      MET  10  14.749   5.553   1.912
   57    HG2  MET  10           HG2      MET  10  13.906   7.275   0.243
   58    HG3  MET  10           HG1      MET  10  13.063   8.045   1.587
   59    HE1  MET  10           HE1      MET  10  16.013   6.836  -0.048
   60    HE2  MET  10           HE2      MET  10  17.449   7.529   0.705
   61    HE3  MET  10           HE3      MET  10  16.458   8.520  -0.363
   62    HA   PRO  11           HA       PRO  11  13.800   6.078  -2.585
   63    HB2  PRO  11           HB2      PRO  11  14.159   3.173  -3.108
   64    HB3  PRO  11           HB1      PRO  11  15.189   4.539  -3.567
   65    HG2  PRO  11           HG2      PRO  11  15.898   2.894  -1.597
   66    HG3  PRO  11           HG1      PRO  11  16.223   4.634  -1.512
   67    HD2  PRO  11           HD2      PRO  11  14.124   3.038  -0.104
   68    HD3  PRO  11           HD1      PRO  11  15.054   4.442   0.470
   69    HA   PRO  12           HA       PRO  12   9.438   5.084  -3.370
   70    HB2  PRO  12           HB2      PRO  12   9.180   7.009  -5.334
   71    HB3  PRO  12           HB1      PRO  12   8.987   7.313  -3.598
   72    HG2  PRO  12           HG2      PRO  12  11.338   7.808  -5.357
   73    HG3  PRO  12           HG1      PRO  12  10.678   8.800  -4.045
   74    HD2  PRO  12           HD2      PRO  12  12.881   7.258  -3.698
   75    HD3  PRO  12           HD1      PRO  12  11.714   7.532  -2.385
   76    H    DAL  13           HN       DAL  13   9.918   3.020  -4.309
   77    HA   DAL  13           HA       DAL  13   9.382   2.861  -7.096
   78    HB1  DAL  13           HB2      DAL  13  10.508   0.419  -6.066
   79    HB2  DAL  13           HB3      DAL  13   9.373   1.098  -4.901
   80    H    TYR  14           HN       TYR  14  12.313   2.914  -5.236
   81    HA   TYR  14           HA       TYR  14  13.964   3.409  -7.460
   82    HB2  TYR  14           HB2      TYR  14  14.622   4.026  -5.207
   83    HB3  TYR  14           HB1      TYR  14  14.660   2.337  -4.717
   84    HD1  TYR  14           HD1      TYR  14  16.382   5.004  -6.513
   85    HD2  TYR  14           HD2      TYR  14  16.380   0.804  -5.633
   86    HE1  TYR  14           HE1      TYR  14  18.725   4.842  -7.301
   87    HE2  TYR  14           HE2      TYR  14  18.726   0.635  -6.424
   88    HH   TYR  14           HH       TYR  14  20.718   3.230  -6.824
   89    H    TRP  15           HN       TRP  15  13.282   0.452  -5.656
   90    HA   TRP  15           HA       TRP  15  15.025  -1.178  -7.285
   91    HB2  TRP  15           HB2      TRP  15  12.873  -2.385  -5.603
   92    HB3  TRP  15           HB1      TRP  15  14.555  -2.877  -5.798
   93    HD1  TRP  15           HD1      TRP  15  16.297  -1.946  -4.115
   94    HE1  TRP  15           HE1      TRP  15  16.156  -0.391  -2.060
   95    HE3  TRP  15           HE3      TRP  15  11.510  -0.247  -4.623
   96    HZ2  TRP  15           HZ2      TRP  15  14.257   1.342  -0.802
   97    HZ3  TRP  15           HZ3      TRP  15  10.562   1.353  -2.987
   98    HH2  TRP  15           HH2      TRP  15  11.929   2.150  -1.077
   99    H    GLU  16           HN       GLU  16  12.141   0.274  -7.860
  100    HA   GLU  16           HA       GLU  16  10.341  -0.117  -9.244
  101    HB2  GLU  16           HB2      GLU  16  10.948  -0.971 -11.450
  102    HB3  GLU  16           HB1      GLU  16  12.187   0.137 -10.868
  103    HG2  GLU  16           HG2      GLU  16  13.593  -1.728 -10.174
  104    HG3  GLU  16           HG1      GLU  16  12.334  -2.879 -10.619
  105    H    GLY  17           HN       GLY  17  10.589  -1.977  -7.091
  106    HA2  GLY  17           HA2      GLY  17   9.041  -4.181  -8.235
  107    HA3  GLY  17           HA1      GLY  17  10.493  -4.607  -7.334
  108    H    GLU  18           HN       GLU  18  10.423  -2.718  -5.304
  109    HA   GLU  18           HA       GLU  18   8.638  -3.919  -3.465
  110    HB2  GLU  18           HB2      GLU  18  10.487  -1.571  -3.418
  111    HB3  GLU  18           HB1      GLU  18   9.299  -1.736  -2.125
  112    HG2  GLU  18           HG2      GLU  18  11.233  -2.889  -1.350
  113    HG3  GLU  18           HG1      GLU  18  10.120  -4.148  -1.881
  114    H    CYS  19           HN       CYS  19   8.541  -0.854  -5.239
  115    HA   CYS  19           HA       CYS  19   6.227   0.195  -4.005
  116    HB2  CYS  19           HB2      CYS  19   6.105   1.361  -6.404
  117    HB3  CYS  19           HB1      CYS  19   7.303   1.830  -5.198
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  24.295   3.206   2.169
    2    H2   ALA   1           HT2      ALA   1  22.947   4.025   1.536
    3    H3   ALA   1           HT3      ALA   1  23.005   2.327   1.504
    4    HA   ALA   1           HA       ALA   1  22.930   2.243   3.911
    5    HB1  ALA   1           HB1      ALA   1  22.707   4.242   5.218
    6    HB2  ALA   1           HB2      ALA   1  22.508   5.237   3.776
    7    HB3  ALA   1           HB3      ALA   1  24.072   4.506   4.133
    8    H    ALA   2           HN       ALA   2  21.107   1.085   3.295
    9    HA   ALA   2           HA       ALA   2  18.735   2.426   2.315
   10    HB1  ALA   2           HB1      ALA   2  19.674  -0.122   2.065
   11    HB2  ALA   2           HB2      ALA   2  17.997   0.349   1.785
   12    HB3  ALA   2           HB3      ALA   2  18.476  -0.322   3.346
   13    H    CYS   3           HN       CYS   3  16.658   2.299   3.410
   14    HA   CYS   3           HA       CYS   3  16.970   2.745   6.289
   15    HB2  CYS   3           HB2      CYS   3  15.151   4.122   6.173
   16    HB3  CYS   3           HB1      CYS   3  15.610   4.200   4.473
   17    H    HIS   4           HN       HIS   4  16.594   1.138   7.643
   18    HA   HIS   4           HA       HIS   4  15.852  -0.859   8.510
   19    HB2  HIS   4           HB2      HIS   4  13.366   0.021   7.025
   20    HB3  HIS   4           HB1      HIS   4  13.414  -1.299   8.194
   21    HD2  HIS   4           HD2      HIS   4  15.720   1.111   9.757
   22    HE1  HIS   4           HE1      HIS   4  11.920   2.486  10.983
   23    HE2  HIS   4           HE2      HIS   4  14.418   2.661  11.408
   24    H    ASN   5           HN       ASN   5  16.738  -0.592   5.473
   25    HA   ASN   5           HA       ASN   5  17.338  -2.165   3.897
   26    HB2  ASN   5           HB2      ASN   5  16.769  -3.724   6.229
   27    HB3  ASN   5           HB1      ASN   5  16.105  -4.553   4.821
   28   HD21  ASN   5          HD21      ASN   5  17.641  -6.068   4.160
   29   HD22  ASN   5          HD22      ASN   5  19.303  -5.758   4.010
   30    H    HIS   6           HN       HIS   6  16.309  -3.657   2.289
   31    HA   HIS   6           HA       HIS   6  14.689  -3.327   0.555
   32    HB2  HIS   6           HB2      HIS   6  13.499  -5.124   2.679
   33    HB3  HIS   6           HB1      HIS   6  12.985  -5.068   0.993
   34    HD2  HIS   6           HD2      HIS   6  14.808  -6.252  -0.850
   35    HE1  HIS   6           HE1      HIS   6  17.473  -7.731   2.071
   36    HE2  HIS   6           HE2      HIS   6  16.868  -7.790  -0.395
   37    H    ALA   7           HN       ALA   7  12.444  -3.744   3.241
   38    HA   ALA   7           HA       ALA   7  11.337  -1.059   2.733
   39    HB1  ALA   7           HB1      ALA   7   9.963  -3.698   2.468
   40    HB2  ALA   7           HB2      ALA   7   9.771  -2.230   1.508
   41    HB3  ALA   7           HB3      ALA   7   9.046  -2.337   3.112
   42    HA   PRO   8           HA       PRO   8   9.798   0.214   3.532
   43    HB2  PRO   8           HB2      PRO   8  10.276   2.417   5.093
   44    HB3  PRO   8           HB1      PRO   8   8.823   1.410   5.237
   45    HG2  PRO   8           HG2      PRO   8  11.268   1.454   6.922
   46    HG3  PRO   8           HG1      PRO   8   9.575   1.213   7.386
   47    HD2  PRO   8           HD2      PRO   8  11.390  -0.843   7.146
   48    HD3  PRO   8           HD1      PRO   8   9.638  -1.045   6.942
   49    H    DAL   9           HN       DAL   9  10.812   2.251   2.621
   50    HA   DAL   9           HA       DAL   9  13.065   1.969   1.284
   51    HB1  DAL   9           HB2      DAL   9  14.468   1.357   3.086
   52    HB2  DAL   9           HB3      DAL   9  14.883   3.037   2.746
   53    H    MET  10           HN       MET  10  14.563   4.225   1.445
   54    HA   MET  10           HA       MET  10  12.899   6.555   1.848
   55    HB2  MET  10           HB2      MET  10  15.117   7.037   2.315
   56    HB3  MET  10           HB1      MET  10  15.722   6.046   0.989
   57    HG2  MET  10           HG2      MET  10  15.188   7.680  -0.631
   58    HG3  MET  10           HG1      MET  10  14.084   8.524   0.456
   59    HE1  MET  10           HE1      MET  10  18.092   8.230  -0.516
   60    HE2  MET  10           HE2      MET  10  17.811   9.953  -0.759
   61    HE3  MET  10           HE3      MET  10  16.678   8.780  -1.427
   62    HA   PRO  11           HA       PRO  11  13.238   6.913  -2.952
   63    HB2  PRO  11           HB2      PRO  11  14.303   4.748  -4.267
   64    HB3  PRO  11           HB1      PRO  11  15.246   6.157  -3.756
   65    HG2  PRO  11           HG2      PRO  11  14.976   3.496  -2.437
   66    HG3  PRO  11           HG1      PRO  11  16.412   4.512  -2.645
   67    HD2  PRO  11           HD2      PRO  11  15.071   4.398  -0.294
   68    HD3  PRO  11           HD1      PRO  11  15.863   5.889  -0.855
   69    HA   PRO  12           HA       PRO  12   9.496   4.395  -2.827
   70    HB2  PRO  12           HB2      PRO  12   8.076   5.968  -4.564
   71    HB3  PRO  12           HB1      PRO  12   8.286   6.342  -2.843
   72    HG2  PRO  12           HG2      PRO  12   9.695   7.462  -5.209
   73    HG3  PRO  12           HG1      PRO  12   9.164   8.265  -3.722
   74    HD2  PRO  12           HD2      PRO  12  11.764   7.514  -4.182
   75    HD3  PRO  12           HD1      PRO  12  11.060   7.649  -2.556
   76    H    DAL  13           HN       DAL  13  10.460   2.587  -3.933
   77    HA   DAL  13           HA       DAL  13   9.767   2.512  -6.803
   78    HB1  DAL  13           HB2      DAL  13  10.311  -0.085  -5.692
   79    HB2  DAL  13           HB3      DAL  13   9.157   0.767  -4.667
   80    H    TYR  14           HN       TYR  14  12.364   2.206  -4.547
   81    HA   TYR  14           HA       TYR  14  14.375   2.350  -6.518
   82    HB2  TYR  14           HB2      TYR  14  14.682   3.002  -4.153
   83    HB3  TYR  14           HB1      TYR  14  14.574   1.313  -3.682
   84    HD1  TYR  14           HD1      TYR  14  16.593   3.828  -5.470
   85    HD2  TYR  14           HD2      TYR  14  16.383  -0.238  -4.105
   86    HE1  TYR  14           HE1      TYR  14  19.009   3.550  -5.936
   87    HE2  TYR  14           HE2      TYR  14  18.802  -0.521  -4.572
   88    HH   TYR  14           HH       TYR  14  20.785   2.211  -5.697
   89    H    TRP  15           HN       TRP  15  13.156  -0.382  -4.628
   90    HA   TRP  15           HA       TRP  15  14.879  -2.301  -5.878
   91    HB2  TRP  15           HB2      TRP  15  12.304  -3.158  -4.647
   92    HB3  TRP  15           HB1      TRP  15  13.923  -3.829  -4.450
   93    HD1  TRP  15           HD1      TRP  15  15.412  -2.905  -2.516
   94    HE1  TRP  15           HE1      TRP  15  14.988  -1.248  -0.579
   95    HE3  TRP  15           HE3      TRP  15  10.935  -0.942  -3.991
   96    HZ2  TRP  15           HZ2      TRP  15  13.013   0.642   0.229
   97    HZ3  TRP  15           HZ3      TRP  15   9.809   0.787  -2.622
   98    HH2  TRP  15           HH2      TRP  15  10.839   1.579  -0.511
   99    H    GLU  16           HN       GLU  16  12.480  -0.486  -7.099
  100    HA   GLU  16           HA       GLU  16  10.813  -0.795  -8.699
  101    HB2  GLU  16           HB2      GLU  16  12.814  -0.397  -9.992
  102    HB3  GLU  16           HB1      GLU  16  13.282  -2.090  -9.871
  103    HG2  GLU  16           HG2      GLU  16  11.262  -2.743 -11.130
  104    HG3  GLU  16           HG1      GLU  16  10.775  -1.052 -11.231
  105    H    GLY  17           HN       GLY  17   9.672  -2.300  -7.210
  106    HA2  GLY  17           HA2      GLY  17   8.679  -4.530  -8.567
  107    HA3  GLY  17           HA1      GLY  17   9.889  -5.108  -7.427
  108    H    GLU  18           HN       GLU  18   9.553  -3.477  -5.270
  109    HA   GLU  18           HA       GLU  18   7.251  -4.571  -4.015
  110    HB2  GLU  18           HB2      GLU  18   9.101  -2.331  -3.163
  111    HB3  GLU  18           HB1      GLU  18   7.857  -3.041  -2.134
  112    HG2  GLU  18           HG2      GLU  18  10.131  -4.580  -3.418
  113    HG3  GLU  18           HG1      GLU  18  10.088  -4.056  -1.735
  114    H    CYS  19           HN       CYS  19   7.988  -1.395  -5.387
  115    HA   CYS  19           HA       CYS  19   5.521  -0.191  -4.544
  116    HB2  CYS  19           HB2      CYS  19   6.227   1.528  -6.350
  117    HB3  CYS  19           HB1      CYS  19   7.248   1.351  -4.923
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  21.397   6.519  -0.175
    2    H2   ALA   1           HT2      ALA   1  21.571   4.830  -0.109
    3    H3   ALA   1           HT3      ALA   1  22.770   5.839   0.550
    4    HA   ALA   1           HA       ALA   1  21.771   5.603   2.501
    5    HB1  ALA   1           HB1      ALA   1  20.458   7.661   1.046
    6    HB2  ALA   1           HB2      ALA   1  20.599   7.499   2.798
    7    HB3  ALA   1           HB3      ALA   1  19.216   6.799   1.957
    8    H    ALA   2           HN       ALA   2  21.598   3.238   1.501
    9    HA   ALA   2           HA       ALA   2  19.018   2.212   0.910
   10    HB1  ALA   2           HB1      ALA   2  20.486   0.107   1.999
   11    HB2  ALA   2           HB2      ALA   2  21.705   1.168   1.293
   12    HB3  ALA   2           HB3      ALA   2  20.392   0.545   0.293
   13    H    CYS   3           HN       CYS   3  17.493   1.254   2.194
   14    HA   CYS   3           HA       CYS   3  17.721   1.797   5.075
   15    HB2  CYS   3           HB2      CYS   3  15.214   1.182   4.974
   16    HB3  CYS   3           HB1      CYS   3  15.714   2.709   4.251
   17    H    HIS   4           HN       HIS   4  18.347   0.182   6.345
   18    HA   HIS   4           HA       HIS   4  18.571  -2.507   5.504
   19    HB2  HIS   4           HB2      HIS   4  19.044  -2.976   7.889
   20    HB3  HIS   4           HB1      HIS   4  19.959  -1.593   7.292
   21    HD2  HIS   4           HD2      HIS   4  19.360   0.843   8.557
   22    HE1  HIS   4           HE1      HIS   4  16.249  -0.602  11.014
   23    HE2  HIS   4           HE2      HIS   4  17.723   1.403  10.512
   24    H    ASN   5           HN       ASN   5  15.917  -0.702   6.756
   25    HA   ASN   5           HA       ASN   5  14.430  -2.762   7.982
   26    HB2  ASN   5           HB2      ASN   5  13.929  -0.324   8.171
   27    HB3  ASN   5           HB1      ASN   5  13.356  -0.349   6.504
   28   HD21  ASN   5          HD21      ASN   5  11.406   0.400   8.196
   29   HD22  ASN   5          HD22      ASN   5  10.330  -0.869   8.536
   30    H    HIS   6           HN       HIS   6  12.945  -4.214   7.204
   31    HA   HIS   6           HA       HIS   6  13.240  -5.069   4.487
   32    HB2  HIS   6           HB2      HIS   6  11.325  -5.945   6.661
   33    HB3  HIS   6           HB1      HIS   6  11.492  -6.740   5.093
   34    HD2  HIS   6           HD2      HIS   6  13.446  -6.437   8.472
   35    HE1  HIS   6           HE1      HIS   6  15.622  -9.031   5.950
   36    HE2  HIS   6           HE2      HIS   6  15.452  -8.102   8.307
   37    H    ALA   7           HN       ALA   7  12.552  -2.692   3.895
   38    HA   ALA   7           HA       ALA   7  11.047  -1.361   2.799
   39    HB1  ALA   7           HB1      ALA   7   8.979  -2.697   1.890
   40    HB2  ALA   7           HB2      ALA   7   9.903  -4.101   2.423
   41    HB3  ALA   7           HB3      ALA   7  10.585  -3.001   1.225
   42    HA   PRO   8           HA       PRO   8   9.153  -0.366   1.884
   43    HB2  PRO   8           HB2      PRO   8   8.627   2.252   2.571
   44    HB3  PRO   8           HB1      PRO   8   7.383   1.067   2.131
   45    HG2  PRO   8           HG2      PRO   8   8.206   2.047   4.807
   46    HG3  PRO   8           HG1      PRO   8   6.602   1.585   4.212
   47    HD2  PRO   8           HD2      PRO   8   8.125  -0.042   5.824
   48    HD3  PRO   8           HD1      PRO   8   6.932  -0.656   4.661
   49    H    DAL   9           HN       DAL   9  10.781   0.838   0.932
   50    HA   DAL   9           HA       DAL   9  13.112   1.192   0.867
   51    HB1  DAL   9           HB2      DAL   9  13.247   2.054   3.713
   52    HB2  DAL   9           HB3      DAL   9  13.003   0.337   3.393
   53    H    MET  10           HN       MET  10  14.475   3.274   2.042
   54    HA   MET  10           HA       MET  10  13.054   5.682   2.331
   55    HB2  MET  10           HB2      MET  10  15.276   5.752   3.070
   56    HB3  MET  10           HB1      MET  10  15.892   5.015   1.591
   57    HG2  MET  10           HG2      MET  10  14.479   7.461   0.972
   58    HG3  MET  10           HG1      MET  10  15.732   7.768   2.174
   59    HE1  MET  10           HE1      MET  10  16.075   7.631  -2.128
   60    HE2  MET  10           HE2      MET  10  16.069   9.013  -1.034
   61    HE3  MET  10           HE3      MET  10  14.729   7.869  -1.003
   62    HA   PRO  11           HA       PRO  11  13.871   6.536  -2.329
   63    HB2  PRO  11           HB2      PRO  11  14.784   4.473  -3.864
   64    HB3  PRO  11           HB1      PRO  11  15.855   5.607  -3.025
   65    HG2  PRO  11           HG2      PRO  11  15.049   2.845  -2.236
   66    HG3  PRO  11           HG1      PRO  11  16.629   3.638  -2.119
   67    HD2  PRO  11           HD2      PRO  11  14.944   3.358   0.025
   68    HD3  PRO  11           HD1      PRO  11  16.087   4.711  -0.143
   69    HA   PRO  12           HA       PRO  12   9.809   4.684  -2.852
   70    HB2  PRO  12           HB2      PRO  12   8.985   6.472  -4.780
   71    HB3  PRO  12           HB1      PRO  12   8.937   6.792  -3.037
   72    HG2  PRO  12           HG2      PRO  12  10.933   7.660  -5.067
   73    HG3  PRO  12           HG1      PRO  12  10.259   8.550  -3.690
   74    HD2  PRO  12           HD2      PRO  12  12.737   7.436  -3.608
   75    HD3  PRO  12           HD1      PRO  12  11.710   7.566  -2.162
   76    H    DAL  13           HN       DAL  13  10.521   2.722  -3.827
   77    HA   DAL  13           HA       DAL  13  10.032   2.632  -6.700
   78    HB1  DAL  13           HB2      DAL  13  10.716   0.078  -5.565
   79    HB2  DAL  13           HB3      DAL  13   9.543   0.894  -4.533
   80    H    TYR  14           HN       TYR  14  12.699   2.080  -4.482
   81    HA   TYR  14           HA       TYR  14  14.678   2.470  -6.449
   82    HB2  TYR  14           HB2      TYR  14  15.084   2.740  -4.045
   83    HB3  TYR  14           HB1      TYR  14  14.876   1.010  -3.806
   84    HD1  TYR  14           HD1      TYR  14  17.020   3.633  -5.249
   85    HD2  TYR  14           HD2      TYR  14  16.572  -0.573  -4.521
   86    HE1  TYR  14           HE1      TYR  14  19.407   3.282  -5.817
   87    HE2  TYR  14           HE2      TYR  14  18.960  -0.928  -5.091
   88    HH   TYR  14           HH       TYR  14  20.808   0.014  -5.929
   89    H    TRP  15           HN       TRP  15  13.387  -0.481  -4.980
   90    HA   TRP  15           HA       TRP  15  14.981  -2.219  -6.648
   91    HB2  TRP  15           HB2      TRP  15  12.577  -3.248  -5.219
   92    HB3  TRP  15           HB1      TRP  15  14.202  -3.927  -5.322
   93    HD1  TRP  15           HD1      TRP  15  15.922  -3.278  -3.475
   94    HE1  TRP  15           HE1      TRP  15  15.767  -1.892  -1.302
   95    HE3  TRP  15           HE3      TRP  15  11.341  -1.121  -4.127
   96    HZ2  TRP  15           HZ2      TRP  15  13.937  -0.108  -0.016
   97    HZ3  TRP  15           HZ3      TRP  15  10.417   0.415  -2.417
   98    HH2  TRP  15           HH2      TRP  15  11.709   0.924  -0.362
   99    H    GLU  16           HN       GLU  16  12.409  -0.300  -7.276
  100    HA   GLU  16           HA       GLU  16  10.655  -0.316  -8.774
  101    HB2  GLU  16           HB2      GLU  16  11.285  -1.072 -11.012
  102    HB3  GLU  16           HB1      GLU  16  12.619  -0.196 -10.265
  103    HG2  GLU  16           HG2      GLU  16  13.688  -2.309  -9.634
  104    HG3  GLU  16           HG1      GLU  16  12.335  -3.214 -10.316
  105    H    GLY  17           HN       GLY  17  10.888  -2.625  -6.840
  106    HA2  GLY  17           HA2      GLY  17   9.145  -4.506  -8.319
  107    HA3  GLY  17           HA1      GLY  17  10.314  -5.044  -7.117
  108    H    GLU  18           HN       GLU  18   9.551  -2.428  -5.632
  109    HA   GLU  18           HA       GLU  18   7.146  -3.553  -4.325
  110    HB2  GLU  18           HB2      GLU  18   9.390  -1.877  -3.173
  111    HB3  GLU  18           HB1      GLU  18   7.941  -2.358  -2.290
  112    HG2  GLU  18           HG2      GLU  18   9.912  -4.276  -3.567
  113    HG3  GLU  18           HG1      GLU  18   9.856  -3.882  -1.850
  114    H    CYS  19           HN       CYS  19   8.628  -0.372  -3.935
  115    HA   CYS  19           HA       CYS  19   7.551   1.688  -3.834
  116    HB2  CYS  19           HB2      CYS  19   6.432   1.366  -6.518
  117    HB3  CYS  19           HB1      CYS  19   7.651   2.498  -5.932
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  24.440  -0.287   1.947
    2    H2   ALA   1           HT2      ALA   1  23.142   0.062   0.909
    3    H3   ALA   1           HT3      ALA   1  22.898  -0.906   2.283
    4    HA   ALA   1           HA       ALA   1  23.128   0.875   3.752
    5    HB1  ALA   1           HB1      ALA   1  24.534   2.592   3.347
    6    HB2  ALA   1           HB2      ALA   1  23.703   3.001   1.845
    7    HB3  ALA   1           HB3      ALA   1  24.968   1.772   1.847
    8    H    ALA   2           HN       ALA   2  20.989  -0.231   2.396
    9    HA   ALA   2           HA       ALA   2  19.419   1.767   1.056
   10    HB1  ALA   2           HB1      ALA   2  17.732  -0.273   2.054
   11    HB2  ALA   2           HB2      ALA   2  19.242  -1.050   1.580
   12    HB3  ALA   2           HB3      ALA   2  18.343  -0.085   0.410
   13    H    CYS   3           HN       CYS   3  17.388   2.617   1.832
   14    HA   CYS   3           HA       CYS   3  17.494   3.999   4.204
   15    HB2  CYS   3           HB2      CYS   3  14.887   3.904   4.024
   16    HB3  CYS   3           HB1      CYS   3  15.810   4.699   2.749
   17    H    HIS   4           HN       HIS   4  15.394   1.147   3.735
   18    HA   HIS   4           HA       HIS   4  15.863   0.456   6.570
   19    HB2  HIS   4           HB2      HIS   4  13.317   0.283   4.948
   20    HB3  HIS   4           HB1      HIS   4  13.531  -0.517   6.505
   21    HD2  HIS   4           HD2      HIS   4  15.383   2.500   7.275
   22    HE1  HIS   4           HE1      HIS   4  11.390   3.805   7.688
   23    HE2  HIS   4           HE2      HIS   4  13.811   4.360   8.216
   24    H    ASN   5           HN       ASN   5  15.900  -1.768   7.082
   25    HA   ASN   5           HA       ASN   5  17.227  -3.411   5.214
   26    HB2  ASN   5           HB2      ASN   5  15.885  -3.944   7.855
   27    HB3  ASN   5           HB1      ASN   5  16.628  -5.243   6.922
   28   HD21  ASN   5          HD21      ASN   5  17.655  -4.471   9.487
   29   HD22  ASN   5          HD22      ASN   5  19.188  -3.779   9.259
   30    H    HIS   6           HN       HIS   6  13.846  -3.291   6.272
   31    HA   HIS   6           HA       HIS   6  13.148  -4.968   3.942
   32    HB2  HIS   6           HB2      HIS   6  12.238  -5.231   6.796
   33    HB3  HIS   6           HB1      HIS   6  11.225  -5.800   5.467
   34    HD2  HIS   6           HD2      HIS   6  14.452  -6.573   3.998
   35    HE1  HIS   6           HE1      HIS   6  13.920  -9.793   6.675
   36    HE2  HIS   6           HE2      HIS   6  15.252  -8.962   4.680
   37    H    ALA   7           HN       ALA   7  13.146  -2.012   4.537
   38    HA   ALA   7           HA       ALA   7  11.841  -0.241   3.871
   39    HB1  ALA   7           HB1      ALA   7   9.388  -1.706   3.267
   40    HB2  ALA   7           HB2      ALA   7  10.797  -2.368   2.437
   41    HB3  ALA   7           HB3      ALA   7  10.366  -0.672   2.224
   42    HA   PRO   8           HA       PRO   8   9.081   0.421   3.178
   43    HB2  PRO   8           HB2      PRO   8   8.863   3.012   4.598
   44    HB3  PRO   8           HB1      PRO   8   7.693   2.203   3.538
   45    HG2  PRO   8           HG2      PRO   8   7.367   2.358   6.197
   46    HG3  PRO   8           HG1      PRO   8   6.793   0.983   5.240
   47    HD2  PRO   8           HD2      PRO   8   9.159   1.154   7.056
   48    HD3  PRO   8           HD1      PRO   8   8.113  -0.232   6.682
   49    H    DAL   9           HN       DAL   9  10.333   1.427   1.704
   50    HA   DAL   9           HA       DAL   9  12.512   1.867   0.920
   51    HB1  DAL   9           HB2      DAL   9  13.196   3.040   3.610
   52    HB2  DAL   9           HB3      DAL   9  13.345   1.314   3.282
   53    H    MET  10           HN       MET  10  13.676   4.405   2.343
   54    HA   MET  10           HA       MET  10  12.071   6.592   2.231
   55    HB2  MET  10           HB2      MET  10  14.912   6.078   1.722
   56    HB3  MET  10           HB1      MET  10  14.299   7.510   0.892
   57    HG2  MET  10           HG2      MET  10  13.586   8.518   2.918
   58    HG3  MET  10           HG1      MET  10  13.715   7.002   3.811
   59    HE1  MET  10           HE1      MET  10  17.379   8.997   1.895
   60    HE2  MET  10           HE2      MET  10  15.702   9.290   1.446
   61    HE3  MET  10           HE3      MET  10  16.421   7.708   1.153
   62    HA   PRO  11           HA       PRO  11  12.372   7.128  -2.506
   63    HB2  PRO  11           HB2      PRO  11  13.825   5.334  -3.953
   64    HB3  PRO  11           HB1      PRO  11  14.532   6.787  -3.225
   65    HG2  PRO  11           HG2      PRO  11  14.594   3.969  -2.248
   66    HG3  PRO  11           HG1      PRO  11  15.874   5.194  -2.245
   67    HD2  PRO  11           HD2      PRO  11  14.405   4.582  -0.023
   68    HD3  PRO  11           HD1      PRO  11  15.096   6.194  -0.310
   69    HA   PRO  12           HA       PRO  12   9.133   3.976  -2.637
   70    HB2  PRO  12           HB2      PRO  12   7.453   5.432  -4.245
   71    HB3  PRO  12           HB1      PRO  12   7.583   5.657  -2.491
   72    HG2  PRO  12           HG2      PRO  12   8.776   7.251  -4.698
   73    HG3  PRO  12           HG1      PRO  12   8.099   7.789  -3.151
   74    HD2  PRO  12           HD2      PRO  12  10.793   7.584  -3.611
   75    HD3  PRO  12           HD1      PRO  12  10.064   7.397  -2.001
   76    H    DAL  13           HN       DAL  13  10.406   2.484  -3.894
   77    HA   DAL  13           HA       DAL  13   9.743   2.582  -6.771
   78    HB1  DAL  13           HB2      DAL  13  10.705   0.030  -5.703
   79    HB2  DAL  13           HB3      DAL  13   9.226   0.606  -4.932
   80    H    TYR  14           HN       TYR  14  12.348   2.617  -4.539
   81    HA   TYR  14           HA       TYR  14  14.292   3.227  -6.457
   82    HB2  TYR  14           HB2      TYR  14  14.519   3.685  -4.042
   83    HB3  TYR  14           HB1      TYR  14  14.686   1.961  -3.736
   84    HD1  TYR  14           HD1      TYR  14  16.297   4.973  -5.029
   85    HD2  TYR  14           HD2      TYR  14  16.666   0.725  -4.540
   86    HE1  TYR  14           HE1      TYR  14  18.719   5.132  -5.521
   87    HE2  TYR  14           HE2      TYR  14  19.091   0.876  -5.033
   88    HH   TYR  14           HH       TYR  14  20.557   2.770  -6.476
   89    H    TRP  15           HN       TRP  15  13.601   0.165  -4.807
   90    HA   TRP  15           HA       TRP  15  15.581  -1.354  -6.158
   91    HB2  TRP  15           HB2      TRP  15  13.062  -2.620  -5.160
   92    HB3  TRP  15           HB1      TRP  15  14.732  -3.169  -5.008
   93    HD1  TRP  15           HD1      TRP  15  16.161  -2.253  -3.001
   94    HE1  TRP  15           HE1      TRP  15  15.556  -0.910  -0.881
   95    HE3  TRP  15           HE3      TRP  15  11.438  -0.752  -4.226
   96    HZ2  TRP  15           HZ2      TRP  15  13.358   0.595   0.151
   97    HZ3  TRP  15           HZ3      TRP  15  10.113   0.637  -2.659
   98    HH2  TRP  15           HH2      TRP  15  11.066   1.311  -0.472
   99    H    GLU  16           HN       GLU  16  12.258  -0.487  -6.853
  100    HA   GLU  16           HA       GLU  16  11.177  -0.495  -8.906
  101    HB2  GLU  16           HB2      GLU  16  12.394  -0.791 -10.789
  102    HB3  GLU  16           HB1      GLU  16  13.774  -0.935  -9.703
  103    HG2  GLU  16           HG2      GLU  16  13.365  -3.408  -9.599
  104    HG3  GLU  16           HG1      GLU  16  12.094  -3.208 -10.801
  105    H    GLY  17           HN       GLY  17  11.695  -2.838  -6.747
  106    HA2  GLY  17           HA2      GLY  17   9.991  -4.811  -8.150
  107    HA3  GLY  17           HA1      GLY  17  11.159  -5.235  -6.904
  108    H    GLU  18           HN       GLU  18  10.568  -3.124  -5.082
  109    HA   GLU  18           HA       GLU  18   8.405  -4.275  -3.657
  110    HB2  GLU  18           HB2      GLU  18   9.826  -1.626  -3.315
  111    HB3  GLU  18           HB1      GLU  18   8.656  -2.280  -2.168
  112    HG2  GLU  18           HG2      GLU  18  11.202  -3.682  -3.029
  113    HG3  GLU  18           HG1      GLU  18  11.003  -2.796  -1.519
  114    H    CYS  19           HN       CYS  19   8.689  -1.421  -5.721
  115    HA   CYS  19           HA       CYS  19   5.989  -0.539  -5.217
  116    HB2  CYS  19           HB2      CYS  19   6.601   0.861  -7.373
  117    HB3  CYS  19           HB1      CYS  19   7.325   1.251  -5.812
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  20.454  -1.767   4.107
    2    H2   ALA   1           HT2      ALA   1  19.526  -0.550   3.369
    3    H3   ALA   1           HT3      ALA   1  19.783  -0.527   5.048
    4    HA   ALA   1           HA       ALA   1  21.969   0.144   4.864
    5    HB1  ALA   1           HB1      ALA   1  21.961  -1.612   2.687
    6    HB2  ALA   1           HB2      ALA   1  23.342  -0.689   3.278
    7    HB3  ALA   1           HB3      ALA   1  22.337  -0.041   1.980
    8    H    ALA   2           HN       ALA   2  19.966   0.664   1.951
    9    HA   ALA   2           HA       ALA   2  20.686   3.347   1.526
   10    HB1  ALA   2           HB1      ALA   2  19.021   3.382  -0.081
   11    HB2  ALA   2           HB2      ALA   2  17.920   2.402   0.889
   12    HB3  ALA   2           HB3      ALA   2  19.288   1.645   0.070
   13    H    CYS   3           HN       CYS   3  17.996   1.927   3.358
   14    HA   CYS   3           HA       CYS   3  17.723   4.493   4.791
   15    HB2  CYS   3           HB2      CYS   3  15.176   3.675   4.855
   16    HB3  CYS   3           HB1      CYS   3  15.796   4.701   3.562
   17    H    HIS   4           HN       HIS   4  15.671   1.676   5.137
   18    HA   HIS   4           HA       HIS   4  17.140   0.759   7.494
   19    HB2  HIS   4           HB2      HIS   4  14.212   1.396   7.780
   20    HB3  HIS   4           HB1      HIS   4  15.408   1.096   9.043
   21    HD2  HIS   4           HD2      HIS   4  14.371   4.020   6.601
   22    HE1  HIS   4           HE1      HIS   4  17.039   5.567   9.484
   23    HE2  HIS   4           HE2      HIS   4  15.499   6.173   7.559
   24    H    ASN   5           HN       ASN   5  17.390  -1.328   6.933
   25    HA   ASN   5           HA       ASN   5  16.882  -3.497   6.371
   26    HB2  ASN   5           HB2      ASN   5  14.432  -2.453   7.675
   27    HB3  ASN   5           HB1      ASN   5  14.243  -3.930   6.729
   28   HD21  ASN   5          HD21      ASN   5  15.981  -5.687   7.247
   29   HD22  ASN   5          HD22      ASN   5  16.441  -5.840   8.874
   30    H    HIS   6           HN       HIS   6  14.718  -4.679   5.162
   31    HA   HIS   6           HA       HIS   6  14.871  -3.514   2.481
   32    HB2  HIS   6           HB2      HIS   6  13.941  -6.188   3.533
   33    HB3  HIS   6           HB1      HIS   6  13.709  -5.697   1.854
   34    HD2  HIS   6           HD2      HIS   6  16.957  -4.143   2.464
   35    HE1  HIS   6           HE1      HIS   6  17.999  -8.162   1.697
   36    HE2  HIS   6           HE2      HIS   6  18.895  -5.792   1.874
   37    H    ALA   7           HN       ALA   7  13.452  -1.817   2.446
   38    HA   ALA   7           HA       ALA   7  11.443  -0.721   2.319
   39    HB1  ALA   7           HB1      ALA   7  10.860  -3.506   1.499
   40    HB2  ALA   7           HB2      ALA   7  10.548  -1.990   0.655
   41    HB3  ALA   7           HB3      ALA   7   9.465  -2.523   1.942
   42    HA   PRO   8           HA       PRO   8   9.566   0.196   2.489
   43    HB2  PRO   8           HB2      PRO   8   8.946   2.344   4.087
   44    HB3  PRO   8           HB1      PRO   8   7.784   1.086   3.627
   45    HG2  PRO   8           HG2      PRO   8   9.208   1.501   6.180
   46    HG3  PRO   8           HG1      PRO   8   7.613   0.799   5.872
   47    HD2  PRO   8           HD2      PRO   8   9.911  -0.666   6.453
   48    HD3  PRO   8           HD1      PRO   8   8.456  -1.317   5.673
   49    H    DAL   9           HN       DAL   9  11.159   1.181   1.469
   50    HA   DAL   9           HA       DAL   9  13.402   1.869   1.222
   51    HB1  DAL   9           HB2      DAL   9  13.465   2.959   4.011
   52    HB2  DAL   9           HB3      DAL   9  13.642   1.222   3.756
   53    H    MET  10           HN       MET  10  14.518   4.177   1.734
   54    HA   MET  10           HA       MET  10  12.777   6.401   2.054
   55    HB2  MET  10           HB2      MET  10  15.604   5.967   1.271
   56    HB3  MET  10           HB1      MET  10  14.864   7.473   0.725
   57    HG2  MET  10           HG2      MET  10  14.035   7.726   3.159
   58    HG3  MET  10           HG1      MET  10  15.217   6.477   3.552
   59    HE1  MET  10           HE1      MET  10  17.272   6.572   1.843
   60    HE2  MET  10           HE2      MET  10  18.427   7.895   1.978
   61    HE3  MET  10           HE3      MET  10  17.200   7.932   0.714
   62    HA   PRO  11           HA       PRO  11  12.973   6.964  -2.718
   63    HB2  PRO  11           HB2      PRO  11  14.159   4.950  -4.158
   64    HB3  PRO  11           HB1      PRO  11  15.011   6.396  -3.595
   65    HG2  PRO  11           HG2      PRO  11  14.961   3.660  -2.406
   66    HG3  PRO  11           HG1      PRO  11  16.316   4.787  -2.589
   67    HD2  PRO  11           HD2      PRO  11  15.034   4.456  -0.226
   68    HD3  PRO  11           HD1      PRO  11  15.712   6.025  -0.719
   69    HA   PRO  12           HA       PRO  12   9.432   4.119  -2.481
   70    HB2  PRO  12           HB2      PRO  12   8.209   6.193  -4.194
   71    HB3  PRO  12           HB1      PRO  12   7.671   5.563  -2.626
   72    HG2  PRO  12           HG2      PRO  12   8.695   8.015  -2.869
   73    HG3  PRO  12           HG1      PRO  12   8.990   7.015  -1.436
   74    HD2  PRO  12           HD2      PRO  12  10.823   7.560  -3.758
   75    HD3  PRO  12           HD1      PRO  12  11.201   7.464  -2.018
   76    H    DAL  13           HN       DAL  13  10.361   2.495  -3.809
   77    HA   DAL  13           HA       DAL  13   9.653   2.743  -6.669
   78    HB1  DAL  13           HB2      DAL  13  10.117   0.026  -5.834
   79    HB2  DAL  13           HB3      DAL  13   8.951   0.791  -4.760
   80    H    TYR  14           HN       TYR  14  12.223   2.356  -4.462
   81    HA   TYR  14           HA       TYR  14  14.219   2.518  -6.451
   82    HB2  TYR  14           HB2      TYR  14  14.549   3.210  -4.107
   83    HB3  TYR  14           HB1      TYR  14  14.451   1.530  -3.597
   84    HD1  TYR  14           HD1      TYR  14  16.511   4.096  -5.164
   85    HD2  TYR  14           HD2      TYR  14  16.197  -0.097  -4.297
   86    HE1  TYR  14           HE1      TYR  14  18.923   3.818  -5.647
   87    HE2  TYR  14           HE2      TYR  14  18.611  -0.380  -4.784
   88    HH   TYR  14           HH       TYR  14  20.361   0.865  -6.191
   89    H    TRP  15           HN       TRP  15  13.103  -0.204  -4.482
   90    HA   TRP  15           HA       TRP  15  14.827  -2.156  -5.563
   91    HB2  TRP  15           HB2      TRP  15  12.080  -2.925  -4.681
   92    HB3  TRP  15           HB1      TRP  15  13.632  -3.669  -4.300
   93    HD1  TRP  15           HD1      TRP  15  14.917  -2.823  -2.193
   94    HE1  TRP  15           HE1      TRP  15  14.341  -1.158  -0.307
   95    HE3  TRP  15           HE3      TRP  15  10.746  -0.650  -4.179
   96    HZ2  TRP  15           HZ2      TRP  15  12.368   0.831   0.276
   97    HZ3  TRP  15           HZ3      TRP  15   9.542   1.126  -2.941
   98    HH2  TRP  15           HH2      TRP  15  10.346   1.866  -0.717
   99    H    GLU  16           HN       GLU  16  12.435  -0.391  -7.040
  100    HA   GLU  16           HA       GLU  16  11.081  -0.692  -8.891
  101    HB2  GLU  16           HB2      GLU  16  13.300  -0.411  -9.891
  102    HB3  GLU  16           HB1      GLU  16  13.596  -2.139  -9.751
  103    HG2  GLU  16           HG2      GLU  16  11.687  -2.594 -11.248
  104    HG3  GLU  16           HG1      GLU  16  11.364  -0.868 -11.367
  105    H    GLY  17           HN       GLY  17   9.917  -2.267  -7.282
  106    HA2  GLY  17           HA2      GLY  17   8.908  -4.421  -8.781
  107    HA3  GLY  17           HA1      GLY  17  10.079  -5.052  -7.627
  108    H    GLU  18           HN       GLU  18   9.676  -3.419  -5.452
  109    HA   GLU  18           HA       GLU  18   7.413  -4.588  -4.225
  110    HB2  GLU  18           HB2      GLU  18   9.128  -2.229  -3.420
  111    HB3  GLU  18           HB1      GLU  18   7.886  -2.939  -2.388
  112    HG2  GLU  18           HG2      GLU  18  10.221  -4.472  -3.563
  113    HG3  GLU  18           HG1      GLU  18  10.169  -3.838  -1.919
  114    H    CYS  19           HN       CYS  19   7.959  -1.436  -5.718
  115    HA   CYS  19           HA       CYS  19   5.289  -0.512  -5.007
  116    HB2  CYS  19           HB2      CYS  19   5.994   1.523  -6.320
  117    HB3  CYS  19           HB1      CYS  19   7.021   1.148  -4.936
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1  22.521   5.509   1.763
    2    H2   ALA   1           HT2      ALA   1  22.731   5.927   3.396
    3    H3   ALA   1           HT3      ALA   1  21.169   5.831   2.735
    4    HA   ALA   1           HA       ALA   1  22.976   3.493   2.821
    5    HB1  ALA   1           HB1      ALA   1  22.490   4.570   5.116
    6    HB2  ALA   1           HB2      ALA   1  22.095   2.861   4.928
    7    HB3  ALA   1           HB3      ALA   1  20.818   4.074   4.852
    8    H    ALA   2           HN       ALA   2  21.805   1.543   2.448
    9    HA   ALA   2           HA       ALA   2  19.431   1.950   0.785
   10    HB1  ALA   2           HB1      ALA   2  21.649   0.165   0.734
   11    HB2  ALA   2           HB2      ALA   2  20.329   0.296  -0.428
   12    HB3  ALA   2           HB3      ALA   2  20.188  -0.797   0.948
   13    H    CYS   3           HN       CYS   3  17.468   0.872   1.130
   14    HA   CYS   3           HA       CYS   3  16.778   0.464   3.885
   15    HB2  CYS   3           HB2      CYS   3  15.289   0.185   1.282
   16    HB3  CYS   3           HB1      CYS   3  14.558  -0.264   2.824
   17    H    HIS   4           HN       HIS   4  17.799  -1.288   4.754
   18    HA   HIS   4           HA       HIS   4  17.716  -3.854   3.357
   19    HB2  HIS   4           HB2      HIS   4  18.982  -4.595   5.467
   20    HB3  HIS   4           HB1      HIS   4  19.805  -3.469   4.387
   21    HD2  HIS   4           HD2      HIS   4  19.830  -0.722   5.359
   22    HE1  HIS   4           HE1      HIS   4  18.823  -1.788   9.319
   23    HE2  HIS   4           HE2      HIS   4  19.667   0.092   7.835
   24    H    ASN   5           HN       ASN   5  16.258  -2.215   6.097
   25    HA   ASN   5           HA       ASN   5  14.528  -4.580   6.501
   26    HB2  ASN   5           HB2      ASN   5  16.171  -4.196   8.366
   27    HB3  ASN   5           HB1      ASN   5  15.383  -2.646   8.659
   28   HD21  ASN   5          HD21      ASN   5  15.431  -4.925  10.534
   29   HD22  ASN   5          HD22      ASN   5  13.816  -5.390  10.767
   30    H    HIS   6           HN       HIS   6  14.781  -1.223   5.902
   31    HA   HIS   6           HA       HIS   6  12.401  -0.209   6.940
   32    HB2  HIS   6           HB2      HIS   6  13.928   0.485   4.431
   33    HB3  HIS   6           HB1      HIS   6  12.528   1.405   4.986
   34    HD2  HIS   6           HD2      HIS   6  16.291   1.329   5.576
   35    HE1  HIS   6           HE1      HIS   6  14.654   3.364   8.893
   36    HE2  HIS   6           HE2      HIS   6  16.806   2.811   7.663
   37    H    ALA   7           HN       ALA   7  12.695  -0.765   3.440
   38    HA   ALA   7           HA       ALA   7  10.935  -1.180   1.946
   39    HB1  ALA   7           HB1      ALA   7  12.066  -3.335   2.365
   40    HB2  ALA   7           HB2      ALA   7  10.348  -3.556   2.038
   41    HB3  ALA   7           HB3      ALA   7  10.951  -3.653   3.693
   42    HA   PRO   8           HA       PRO   8   9.430  -0.185   0.938
   43    HB2  PRO   8           HB2      PRO   8   8.308   2.356   1.944
   44    HB3  PRO   8           HB1      PRO   8   7.934   1.466   0.457
   45    HG2  PRO   8           HG2      PRO   8   6.248   1.587   2.549
   46    HG3  PRO   8           HG1      PRO   8   6.340   0.191   1.462
   47    HD2  PRO   8           HD2      PRO   8   7.387   0.480   4.244
   48    HD3  PRO   8           HD1      PRO   8   6.771  -0.958   3.407
   49    H    DAL   9           HN       DAL   9  11.005   1.276   0.273
   50    HA   DAL   9           HA       DAL   9  13.232   1.932   0.614
   51    HB1  DAL   9           HB2      DAL   9  12.730   2.614   3.478
   52    HB2  DAL   9           HB3      DAL   9  12.868   0.918   3.019
   53    H    MET  10           HN       MET  10  14.205   4.102   1.787
   54    HA   MET  10           HA       MET  10  12.735   6.338   2.281
   55    HB2  MET  10           HB2      MET  10  15.408   5.806   1.210
   56    HB3  MET  10           HB1      MET  10  14.749   7.367   0.715
   57    HG2  MET  10           HG2      MET  10  14.042   7.234   3.384
   58    HG3  MET  10           HG1      MET  10  15.632   6.470   3.368
   59    HE1  MET  10           HE1      MET  10  18.138   8.678   2.524
   60    HE2  MET  10           HE2      MET  10  17.482   7.195   3.211
   61    HE3  MET  10           HE3      MET  10  17.597   8.643   4.208
   62    HA   PRO  11           HA       PRO  11  12.081   7.516  -2.249
   63    HB2  PRO  11           HB2      PRO  11  13.290   6.165  -4.256
   64    HB3  PRO  11           HB1      PRO  11  14.131   7.425  -3.331
   65    HG2  PRO  11           HG2      PRO  11  14.317   4.466  -3.103
   66    HG3  PRO  11           HG1      PRO  11  15.593   5.687  -2.981
   67    HD2  PRO  11           HD2      PRO  11  14.396   4.480  -0.791
   68    HD3  PRO  11           HD1      PRO  11  15.198   6.064  -0.746
   69    HA   PRO  12           HA       PRO  12   8.736   4.489  -2.398
   70    HB2  PRO  12           HB2      PRO  12   7.872   6.340  -4.575
   71    HB3  PRO  12           HB1      PRO  12   6.955   5.729  -3.187
   72    HG2  PRO  12           HG2      PRO  12   7.904   8.231  -3.282
   73    HG3  PRO  12           HG1      PRO  12   7.779   7.319  -1.770
   74    HD2  PRO  12           HD2      PRO  12  10.205   8.037  -3.331
   75    HD3  PRO  12           HD1      PRO  12  10.037   7.695  -1.594
   76    H    DAL  13           HN       DAL  13  10.242   2.913  -3.296
   77    HA   DAL  13           HA       DAL  13   9.953   2.619  -6.220
   78    HB1  DAL  13           HB2      DAL  13  10.847   0.189  -5.078
   79    HB2  DAL  13           HB3      DAL  13   9.553   0.783  -4.036
   80    H    TYR  14           HN       TYR  14  12.188   2.161  -3.511
   81    HA   TYR  14           HA       TYR  14  14.417   3.260  -4.803
   82    HB2  TYR  14           HB2      TYR  14  14.202   2.852  -2.330
   83    HB3  TYR  14           HB1      TYR  14  14.443   1.137  -2.645
   84    HD1  TYR  14           HD1      TYR  14  16.086   4.104  -1.792
   85    HD2  TYR  14           HD2      TYR  14  16.520   0.624  -4.266
   86    HE1  TYR  14           HE1      TYR  14  18.542   4.449  -1.838
   87    HE2  TYR  14           HE2      TYR  14  18.981   0.964  -4.313
   88    HH   TYR  14           HH       TYR  14  20.673   2.254  -3.673
   89    H    TRP  15           HN       TRP  15  13.387  -0.089  -4.395
   90    HA   TRP  15           HA       TRP  15  15.500  -1.024  -6.200
   91    HB2  TRP  15           HB2      TRP  15  13.548  -2.931  -5.040
   92    HB3  TRP  15           HB1      TRP  15  15.304  -3.051  -5.165
   93    HD1  TRP  15           HD1      TRP  15  16.753  -2.109  -3.180
   94    HE1  TRP  15           HE1      TRP  15  16.159  -1.274  -0.811
   95    HE3  TRP  15           HE3      TRP  15  11.692  -1.654  -3.649
   96    HZ2  TRP  15           HZ2      TRP  15  13.840  -0.516   0.681
   97    HZ3  TRP  15           HZ3      TRP  15  10.319  -0.870  -1.744
   98    HH2  TRP  15           HH2      TRP  15  11.384  -0.308   0.419
   99    H    GLU  16           HN       GLU  16  12.588   0.305  -6.591
  100    HA   GLU  16           HA       GLU  16  10.831   0.092  -8.072
  101    HB2  GLU  16           HB2      GLU  16  11.548  -0.097 -10.376
  102    HB3  GLU  16           HB1      GLU  16  12.747   0.841  -9.485
  103    HG2  GLU  16           HG2      GLU  16  14.155  -1.158  -9.245
  104    HG3  GLU  16           HG1      GLU  16  12.950  -2.123 -10.098
  105    H    GLY  17           HN       GLY  17  11.341  -2.260  -6.426
  106    HA2  GLY  17           HA2      GLY  17  10.149  -4.294  -8.210
  107    HA3  GLY  17           HA1      GLY  17  11.403  -4.723  -7.051
  108    H    GLU  18           HN       GLU  18  10.707  -3.385  -4.808
  109    HA   GLU  18           HA       GLU  18   8.605  -4.963  -3.745
  110    HB2  GLU  18           HB2      GLU  18   9.998  -2.505  -2.667
  111    HB3  GLU  18           HB1      GLU  18   8.874  -3.494  -1.737
  112    HG2  GLU  18           HG2      GLU  18  11.410  -4.521  -3.039
  113    HG3  GLU  18           HG1      GLU  18  11.243  -4.131  -1.328
  114    H    CYS  19           HN       CYS  19   8.786  -1.628  -4.888
  115    HA   CYS  19           HA       CYS  19   6.114  -0.954  -4.065
  116    HB2  CYS  19           HB2      CYS  19   6.543   1.020  -5.662
  117    HB3  CYS  19           HB1      CYS  19   7.580   0.885  -4.243
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  17.703  -1.932   6.524
    2    H2   ALA   1           HT2      ALA   1  17.239  -3.054   7.712
    3    H3   ALA   1           HT3      ALA   1  18.234  -1.740   8.124
    4    HA   ALA   1           HA       ALA   1  15.358  -1.861   7.785
    5    HB1  ALA   1           HB1      ALA   1  16.000  -1.344   9.958
    6    HB2  ALA   1           HB2      ALA   1  15.790   0.274   9.290
    7    HB3  ALA   1           HB3      ALA   1  17.406  -0.417   9.431
    8    H    ALA   2           HN       ALA   2  18.074  -0.193   6.427
    9    HA   ALA   2           HA       ALA   2  16.524   2.067   5.469
   10    HB1  ALA   2           HB1      ALA   2  18.952   2.227   6.107
   11    HB2  ALA   2           HB2      ALA   2  18.583   2.835   4.492
   12    HB3  ALA   2           HB3      ALA   2  19.328   1.248   4.688
   13    H    CYS   3           HN       CYS   3  16.901   2.599   3.035
   14    HA   CYS   3           HA       CYS   3  15.402   0.827   1.490
   15    HB2  CYS   3           HB2      CYS   3  16.687   3.339   1.119
   16    HB3  CYS   3           HB1      CYS   3  17.141   2.299  -0.230
   17    H    HIS   4           HN       HIS   4  18.827   0.959   2.114
   18    HA   HIS   4           HA       HIS   4  19.760  -0.621  -0.015
   19    HB2  HIS   4           HB2      HIS   4  20.799  -0.295   2.808
   20    HB3  HIS   4           HB1      HIS   4  21.674  -1.134   1.526
   21    HD2  HIS   4           HD2      HIS   4  21.256   2.435   2.823
   22    HE1  HIS   4           HE1      HIS   4  22.769   2.802  -1.102
   23    HE2  HIS   4           HE2      HIS   4  22.296   4.052   1.057
   24    H    ASN   5           HN       ASN   5  18.194  -1.439   3.012
   25    HA   ASN   5           HA       ASN   5  18.437  -4.307   2.316
   26    HB2  ASN   5           HB2      ASN   5  19.420  -3.531   4.521
   27    HB3  ASN   5           HB1      ASN   5  17.772  -3.178   5.036
   28   HD21  ASN   5          HD21      ASN   5  17.886  -4.900   6.679
   29   HD22  ASN   5          HD22      ASN   5  17.802  -6.533   6.225
   30    H    HIS   6           HN       HIS   6  16.206  -2.530   4.434
   31    HA   HIS   6           HA       HIS   6  13.960  -3.346   2.714
   32    HB2  HIS   6           HB2      HIS   6  14.150  -3.831   5.696
   33    HB3  HIS   6           HB1      HIS   6  12.688  -4.045   4.732
   34    HD2  HIS   6           HD2      HIS   6  15.831  -6.041   5.676
   35    HE1  HIS   6           HE1      HIS   6  14.058  -8.082   2.434
   36    HE2  HIS   6           HE2      HIS   6  15.825  -8.230   4.252
   37    H    ALA   7           HN       ALA   7  12.150  -2.010   2.821
   38    HA   ALA   7           HA       ALA   7  12.460   0.681   3.089
   39    HB1  ALA   7           HB1      ALA   7  10.350   0.567   2.350
   40    HB2  ALA   7           HB2      ALA   7   9.824   0.162   3.983
   41    HB3  ALA   7           HB3      ALA   7  10.240  -1.121   2.848
   42    HA   PRO   8           HA       PRO   8  10.099   2.033   3.986
   43    HB2  PRO   8           HB2      PRO   8  11.304   4.440   5.218
   44    HB3  PRO   8           HB1      PRO   8   9.597   4.023   4.993
   45    HG2  PRO   8           HG2      PRO   8  10.786   3.970   7.396
   46    HG3  PRO   8           HG1      PRO   8   9.483   2.856   6.949
   47    HD2  PRO   8           HD2      PRO   8  12.419   2.327   7.163
   48    HD3  PRO   8           HD1      PRO   8  11.046   1.251   7.493
   49    H    DAL   9           HN       DAL   9  10.616   2.805   2.023
   50    HA   DAL   9           HA       DAL   9  12.121   2.811   0.202
   51    HB1  DAL   9           HB2      DAL   9  14.372   3.741   1.943
   52    HB2  DAL   9           HB3      DAL   9  13.914   2.038   1.975
   53    H    MET  10           HN       MET  10  14.138   4.803  -0.104
   54    HA   MET  10           HA       MET  10  12.833   7.333   0.573
   55    HB2  MET  10           HB2      MET  10  15.548   6.469  -0.072
   56    HB3  MET  10           HB1      MET  10  15.070   7.922  -0.951
   57    HG2  MET  10           HG2      MET  10  14.097   8.332   1.637
   58    HG3  MET  10           HG1      MET  10  15.684   7.603   1.878
   59    HE1  MET  10           HE1      MET  10  17.809   8.645  -0.105
   60    HE2  MET  10           HE2      MET  10  17.673   8.439   1.640
   61    HE3  MET  10           HE3      MET  10  18.217   9.980   0.982
   62    HA   PRO  11           HA       PRO  11  12.821   7.659  -4.174
   63    HB2  PRO  11           HB2      PRO  11  13.911   5.676  -5.676
   64    HB3  PRO  11           HB1      PRO  11  14.872   7.005  -4.999
   65    HG2  PRO  11           HG2      PRO  11  14.601   4.200  -4.071
   66    HG3  PRO  11           HG1      PRO  11  16.019   5.261  -4.066
   67    HD2  PRO  11           HD2      PRO  11  14.449   4.742  -1.835
   68    HD3  PRO  11           HD1      PRO  11  15.487   6.171  -2.027
   69    HA   PRO  12           HA       PRO  12   8.945   5.526  -4.511
   70    HB2  PRO  12           HB2      PRO  12   9.283   6.061  -7.427
   71    HB3  PRO  12           HB1      PRO  12   7.917   6.440  -6.362
   72    HG2  PRO  12           HG2      PRO  12   9.667   8.304  -7.198
   73    HG3  PRO  12           HG1      PRO  12   8.849   8.385  -5.630
   74    HD2  PRO  12           HD2      PRO  12  11.689   7.795  -6.225
   75    HD3  PRO  12           HD1      PRO  12  10.951   8.391  -4.723
   76    H    DAL  13           HN       DAL  13   9.874   3.468  -3.990
   77    HA   DAL  13           HA       DAL  13   9.828   1.599  -6.202
   78    HB1  DAL  13           HB2      DAL  13   9.897  -0.107  -4.518
   79    HB2  DAL  13           HB3      DAL  13  10.484   1.026  -3.305
   80    H    TYR  14           HN       TYR  14  12.136   2.238  -3.565
   81    HA   TYR  14           HA       TYR  14  14.418   2.600  -5.128
   82    HB2  TYR  14           HB2      TYR  14  14.297   3.089  -2.696
   83    HB3  TYR  14           HB1      TYR  14  14.227   1.361  -2.371
   84    HD1  TYR  14           HD1      TYR  14  16.280   3.468  -4.697
   85    HD2  TYR  14           HD2      TYR  14  16.244   0.576  -1.527
   86    HE1  TYR  14           HE1      TYR  14  18.746   3.357  -4.780
   87    HE2  TYR  14           HE2      TYR  14  18.716   0.453  -1.612
   88    HH   TYR  14           HH       TYR  14  20.600   1.774  -2.348
   89    H    TRP  15           HN       TRP  15  13.190  -0.322  -3.570
   90    HA   TRP  15           HA       TRP  15  15.186  -2.007  -4.834
   91    HB2  TRP  15           HB2      TRP  15  12.872  -3.234  -3.448
   92    HB3  TRP  15           HB1      TRP  15  14.597  -3.564  -3.277
   93    HD1  TRP  15           HD1      TRP  15  15.919  -2.272  -1.433
   94    HE1  TRP  15           HE1      TRP  15  15.221  -0.666   0.457
   95    HE3  TRP  15           HE3      TRP  15  11.114  -1.294  -2.843
   96    HZ2  TRP  15           HZ2      TRP  15  12.926   0.844   1.254
   97    HZ3  TRP  15           HZ3      TRP  15   9.701   0.241  -1.509
   98    HH2  TRP  15           HH2      TRP  15  10.598   1.310   0.538
   99    H    GLU  16           HN       GLU  16  12.585  -0.530  -6.013
  100    HA   GLU  16           HA       GLU  16  10.973  -0.973  -7.602
  101    HB2  GLU  16           HB2      GLU  16  11.848  -2.001  -9.606
  102    HB3  GLU  16           HB1      GLU  16  13.119  -1.012  -8.889
  103    HG2  GLU  16           HG2      GLU  16  14.126  -2.992  -7.867
  104    HG3  GLU  16           HG1      GLU  16  12.824  -4.004  -8.493
  105    H    GLY  17           HN       GLY  17  11.288  -2.907  -5.255
  106    HA2  GLY  17           HA2      GLY  17   9.861  -5.205  -6.458
  107    HA3  GLY  17           HA1      GLY  17  10.841  -5.303  -4.999
  108    H    GLU  18           HN       GLU  18  10.062  -3.243  -3.491
  109    HA   GLU  18           HA       GLU  18   7.577  -4.092  -2.423
  110    HB2  GLU  18           HB2      GLU  18   9.222  -1.604  -1.913
  111    HB3  GLU  18           HB1      GLU  18   7.824  -2.086  -0.953
  112    HG2  GLU  18           HG2      GLU  18  10.290  -3.795  -1.379
  113    HG3  GLU  18           HG1      GLU  18   9.976  -2.828   0.061
  114    H    CYS  19           HN       CYS  19   8.525  -1.375  -4.473
  115    HA   CYS  19           HA       CYS  19   5.776  -0.373  -4.533
  116    HB2  CYS  19           HB2      CYS  19   8.143   0.720  -6.052
  117    HB3  CYS  19           HB1      CYS  19   6.657   1.557  -5.599
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  17.356  -3.640   0.217
    2    H2   ALA   1           HT2      ALA   1  16.142  -2.465   0.389
    3    H3   ALA   1           HT3      ALA   1  15.902  -4.035   0.994
    4    HA   ALA   1           HA       ALA   1  16.442  -2.344   2.720
    5    HB1  ALA   1           HB1      ALA   1  16.952  -4.309   3.718
    6    HB2  ALA   1           HB2      ALA   1  18.629  -3.941   3.318
    7    HB3  ALA   1           HB3      ALA   1  17.670  -4.959   2.244
    8    H    ALA   2           HN       ALA   2  17.527  -1.245   0.224
    9    HA   ALA   2           HA       ALA   2  20.318  -0.814   0.411
   10    HB1  ALA   2           HB1      ALA   2  19.915   1.068  -1.130
   11    HB2  ALA   2           HB2      ALA   2  18.180   0.924  -0.847
   12    HB3  ALA   2           HB3      ALA   2  19.054  -0.382  -1.648
   13    H    CYS   3           HN       CYS   3  17.533   0.951   1.688
   14    HA   CYS   3           HA       CYS   3  19.223   2.996   2.881
   15    HB2  CYS   3           HB2      CYS   3  16.483   2.977   3.824
   16    HB3  CYS   3           HB1      CYS   3  17.345   4.213   2.912
   17    H    HIS   4           HN       HIS   4  17.719   0.006   3.772
   18    HA   HIS   4           HA       HIS   4  18.112  -1.285   5.662
   19    HB2  HIS   4           HB2      HIS   4  19.390   1.157   6.907
   20    HB3  HIS   4           HB1      HIS   4  19.567  -0.522   7.406
   21    HD2  HIS   4           HD2      HIS   4  21.013   1.916   4.714
   22    HE1  HIS   4           HE1      HIS   4  22.871  -1.837   4.177
   23    HE2  HIS   4           HE2      HIS   4  22.900   0.603   3.475
   24    H    ASN   5           HN       ASN   5  15.804  -1.240   5.848
   25    HA   ASN   5           HA       ASN   5  14.735  -0.682   8.286
   26    HB2  ASN   5           HB2      ASN   5  15.007   1.770   6.686
   27    HB3  ASN   5           HB1      ASN   5  13.397   1.512   7.355
   28   HD21  ASN   5          HD21      ASN   5  15.655   3.443   8.165
   29   HD22  ASN   5          HD22      ASN   5  15.851   3.164   9.828
   30    H    HIS   6           HN       HIS   6  12.192   0.017   7.988
   31    HA   HIS   6           HA       HIS   6  11.082  -2.128   6.445
   32    HB2  HIS   6           HB2      HIS   6   9.954  -1.567   8.470
   33    HB3  HIS   6           HB1      HIS   6   9.847   0.134   8.022
   34    HD2  HIS   6           HD2      HIS   6   7.571   0.784   6.556
   35    HE1  HIS   6           HE1      HIS   6   6.272  -3.155   5.767
   36    HE2  HIS   6           HE2      HIS   6   5.673  -0.697   5.545
   37    H    ALA   7           HN       ALA   7  10.459  -2.113   4.390
   38    HA   ALA   7           HA       ALA   7   9.007  -0.377   2.946
   39    HB1  ALA   7           HB1      ALA   7  11.593   0.830   3.530
   40    HB2  ALA   7           HB2      ALA   7  10.139   1.562   2.857
   41    HB3  ALA   7           HB3      ALA   7  11.269   0.722   1.804
   42    HA   PRO   8           HA       PRO   8  12.146  -1.913   3.964
   43    HB2  PRO   8           HB2      PRO   8  14.619  -2.562   3.056
   44    HB3  PRO   8           HB1      PRO   8  13.404  -3.757   3.544
   45    HG2  PRO   8           HG2      PRO   8  14.279  -2.943   0.843
   46    HG3  PRO   8           HG1      PRO   8  13.674  -4.501   1.419
   47    HD2  PRO   8           HD2      PRO   8  12.182  -2.645  -0.036
   48    HD3  PRO   8           HD1      PRO   8  11.505  -3.971   0.927
   49    H    DAL   9           HN       DAL   9  12.829  -0.510   0.874
   50    HA   DAL   9           HA       DAL   9  14.281   1.241   0.284
   51    HB1  DAL   9           HB2      DAL   9  14.519   2.177   3.108
   52    HB2  DAL   9           HB3      DAL   9  15.417   0.742   2.613
   53    H    MET  10           HN       MET  10  14.033   3.624   2.256
   54    HA   MET  10           HA       MET  10  11.362   4.401   2.484
   55    HB2  MET  10           HB2      MET  10  13.619   6.321   1.917
   56    HB3  MET  10           HB1      MET  10  12.172   6.592   2.885
   57    HG2  MET  10           HG2      MET  10  13.044   5.549   4.719
   58    HG3  MET  10           HG1      MET  10  13.865   4.324   3.759
   59    HE1  MET  10           HE1      MET  10  15.552   4.938   2.065
   60    HE2  MET  10           HE2      MET  10  16.950   5.956   2.395
   61    HE3  MET  10           HE3      MET  10  15.510   6.659   1.666
   62    HA   PRO  11           HA       PRO  11  12.232   6.568  -1.902
   63    HB2  PRO  11           HB2      PRO  11  13.641   4.181  -3.005
   64    HB3  PRO  11           HB1      PRO  11  13.910   5.905  -3.338
   65    HG2  PRO  11           HG2      PRO  11  15.568   4.500  -1.795
   66    HG3  PRO  11           HG1      PRO  11  15.200   6.202  -1.471
   67    HD2  PRO  11           HD2      PRO  11  14.281   3.775  -0.013
   68    HD3  PRO  11           HD1      PRO  11  14.532   5.425   0.581
   69    HA   PRO  12           HA       PRO  12   8.532   4.008  -2.452
   70    HB2  PRO  12           HB2      PRO  12   7.813   6.289  -4.206
   71    HB3  PRO  12           HB1      PRO  12   6.917   5.587  -2.846
   72    HG2  PRO  12           HG2      PRO  12   8.129   7.945  -2.621
   73    HG3  PRO  12           HG1      PRO  12   8.083   6.794  -1.274
   74    HD2  PRO  12           HD2      PRO  12  10.354   7.420  -3.139
   75    HD3  PRO  12           HD1      PRO  12  10.389   7.089  -1.389
   76    H    DAL  13           HN       DAL  13   9.796   2.459  -3.707
   77    HA   DAL  13           HA       DAL  13   8.913   2.268  -6.409
   78    HB1  DAL  13           HB2      DAL  13  11.156   0.546  -5.810
   79    HB2  DAL  13           HB3      DAL  13   9.979   0.526  -4.497
   80    H    TYR  14           HN       TYR  14  11.765   3.581  -4.928
   81    HA   TYR  14           HA       TYR  14  12.680   4.874  -7.236
   82    HB2  TYR  14           HB2      TYR  14  13.452   5.600  -5.087
   83    HB3  TYR  14           HB1      TYR  14  14.129   4.009  -4.734
   84    HD1  TYR  14           HD1      TYR  14  14.287   6.062  -7.846
   85    HD2  TYR  14           HD2      TYR  14  16.454   4.295  -4.588
   86    HE1  TYR  14           HE1      TYR  14  16.425   6.742  -8.899
   87    HE2  TYR  14           HE2      TYR  14  18.591   4.972  -5.635
   88    HH   TYR  14           HH       TYR  14  18.681   6.399  -8.866
   89    H    TRP  15           HN       TRP  15  13.742   1.828  -5.768
   90    HA   TRP  15           HA       TRP  15  15.628   1.230  -7.854
   91    HB2  TRP  15           HB2      TRP  15  14.522  -0.907  -6.086
   92    HB3  TRP  15           HB1      TRP  15  16.186  -0.617  -6.595
   93    HD1  TRP  15           HD1      TRP  15  17.686   0.856  -5.075
   94    HE1  TRP  15           HE1      TRP  15  17.327   2.043  -2.810
   95    HE3  TRP  15           HE3      TRP  15  12.629   0.347  -4.604
   96    HZ2  TRP  15           HZ2      TRP  15  15.168   2.684  -1.044
   97    HZ3  TRP  15           HZ3      TRP  15  11.452   1.254  -2.624
   98    HH2  TRP  15           HH2      TRP  15  12.719   2.423  -0.847
   99    H    GLU  16           HN       GLU  16  12.259   0.612  -7.210
  100    HA   GLU  16           HA       GLU  16  10.619  -0.050  -8.719
  101    HB2  GLU  16           HB2      GLU  16  11.098  -0.253 -10.935
  102    HB3  GLU  16           HB1      GLU  16  12.645   0.444 -10.453
  103    HG2  GLU  16           HG2      GLU  16  13.284  -2.072  -9.976
  104    HG3  GLU  16           HG1      GLU  16  11.965  -2.410 -11.091
  105    H    GLY  17           HN       GLY  17  12.142  -1.613  -6.641
  106    HA2  GLY  17           HA2      GLY  17  11.145  -4.274  -7.449
  107    HA3  GLY  17           HA1      GLY  17  12.743  -4.103  -6.729
  108    H    GLU  18           HN       GLU  18  12.096  -2.083  -4.827
  109    HA   GLU  18           HA       GLU  18  11.007  -3.731  -2.746
  110    HB2  GLU  18           HB2      GLU  18  11.893  -0.847  -2.822
  111    HB3  GLU  18           HB1      GLU  18  11.339  -1.655  -1.361
  112    HG2  GLU  18           HG2      GLU  18  13.121  -3.315  -1.565
  113    HG3  GLU  18           HG1      GLU  18  13.643  -2.600  -3.089
  114    H    CYS  19           HN       CYS  19   9.613  -1.818  -5.099
  115    HA   CYS  19           HA       CYS  19   7.346  -0.947  -3.470
  116    HB2  CYS  19           HB2      CYS  19   6.690  -0.323  -6.052
  117    HB3  CYS  19           HB1      CYS  19   7.572   0.747  -4.959