*HEADER    SIGNALING PROTEIN                       23-JUN-05   2A37              
*TITLE     SOLUTION STRUCTURE OF THE T22G MUTANT OF N-TERMINAL SH3               
*TITLE    2 DOMAIN OF DRK (DRKN SH3 DOMAIN)                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN E(SEV)2B;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL SH3 DOMAIN, RESIDUES 1-59;                      
*COMPND   5 SYNONYM: PROTEIN ENHANCER OF SEVENLESS 2B, SH2-SH3 ADAPTER           
*COMPND   6 PROTEIN DRK, DOWNSTREAM OF RECEPTOR KINASE;                          
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 GENE: DRK, E(SEV)2B, CG6033;                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: HMS174;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-11A                                    
*KEYWDS    DROSOPHILA MELANOGASTER, SH3 FRAGMENT, DRK, NMR STRUCTURE             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    I.Y.BEZSONOVA, A.SINGER, W.-Y.CHOY, M.TOLLINGER, J.D.FORMAN-          
*AUTHOR   2 KAY                                                                  
*REVDAT   1   13-DEC-05 2A37    0                                                

! N-HN DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   2 and name HN  ) 17.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   3 and name HN  ) 14.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   4 and name HN  ) 11.98 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   5 and name HN  )  9.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   6 and name HN  ) -11.25 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   7 and name HN  ) -29.06 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   8 and name HN  ) -29.21 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   9 and name HN  )  5.79 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid  10 and name HN  )  0.31 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  11 and name HN  )  8.32 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  12 and name HN  ) 11.81 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  13 and name HN  ) 17.03 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  14 and name HN  ) 14.18 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  15 and name HN  )  8.48 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  16 and name HN  ) 17.28 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  17 and name HN  ) 14.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  18 and name HN  )  4.30 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  19 and name HN  ) -2.42 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  20 and name HN  ) -1.95 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  21 and name HN  )  0.67 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  22 and name HN  )  7.17 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  23 and name HN  ) 11.61 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  24 and name HN  ) 10.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name N  )
       ( resid  25 and name HN  ) -1.47 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  26 and name HN  ) 20.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  27 and name HN  ) 18.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  29 and name HN  ) -14.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  31 and name HN  ) -5.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  32 and name HN  ) -3.63 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  33 and name HN  )  3.52 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  34 and name HN  )  4.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  35 and name HN  ) -3.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  36 and name HN  ) -14.76 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  37 and name HN  ) -18.40 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  39 and name HN  ) 19.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  41 and name HN  )  9.24 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  42 and name HN  ) 19.60 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name N  )
       ( resid  43 and name HN  ) 17.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  44 and name HN  ) -14.23 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  45 and name HN  )  6.49 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  46 and name HN  ) 20.44 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  47 and name HN  ) 19.92 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  48 and name HN  ) -2.59 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  50 and name HN  ) -4.41 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  51 and name HN  ) 13.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  53 and name HN  )  1.65 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  54 and name HN  )        10.21   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  58 and name HN  )        -0.90   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  59 and name HN  )  0.68 0.39

! N-CO DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )  6.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  ) -19.26 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  ) 16.40 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )  6.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   6 and name C  )  9.29 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )  6.81 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  ) -13.99 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  ) 15.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  ) -22.61 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )  1.90 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  ) -11.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  ) -14.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  ) 12.48 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  ) -28.89 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  ) 12.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )  1.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  ) -18.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )  4.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  ) -20.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  ) 11.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )  4.56 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  23 and name C  ) -17.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  ) -21.32 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  ) 16.17 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )  0.88 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )  7.05 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  ) -10.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )  4.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  ) 11.87 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  ) -20.75 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )  8.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  ) 6.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  40 and name C  ) 12.94 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  ) 10.68 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  ) -9.22 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  ) -6.00 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  ) 7.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )  7.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  ) 14.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )  1.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  ) -5.82 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )  7.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  ) -0.28 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  55 and name C  )  0.95 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  56 and name C  )  1.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  57 and name C  ) -4.44 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  )  2.97 0.13

! CO-CA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name C  )
       ( resid   1 and name CA  ) -6.36 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name C  )
       ( resid   3 and name CA  ) -8.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name C  )
       ( resid   4 and name CA  )  2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name C  )
       ( resid   5 and name CA  ) -18.83 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  6 and name C  )
       ( resid  6 and name CA  )         1.43   0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name C  )
       ( resid   7 and name CA  )  1.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name C  )
       ( resid   8 and name CA  ) -5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name C  )
       ( resid   9 and name CA  ) 14.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name C  )
       ( resid  10 and name CA  ) -8.47 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name C  )
       ( resid  11 and name CA  ) 14.67 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name C  )
       ( resid  12 and name CA  ) -19.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name C  )
       ( resid  13 and name CA  )  2.12 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name C  )
       ( resid  14 and name CA  )  7.60 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name C  )
       ( resid  15 and name CA  ) 10.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name C  )
       ( resid  16 and name CA  )  1.57 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name C  )
       ( resid  17 and name CA  ) -29.20 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name C  )
       ( resid  18 and name CA  ) 12.98 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name C  )
       ( resid  19 and name CA  ) -26.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name C  )
       ( resid  20 and name CA  ) 22.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name C  )
       ( resid  21 and name CA  )  5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name C  )
       ( resid  22 and name CA  ) -23.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name C  )
       ( resid  23 and name CA  ) -15.02 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name C  )
       ( resid  26 and name CA  )  1.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name C  )
       ( resid  29 and name CA  ) -15.26 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name C  )
       ( resid  31 and name CA  )  7.66 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name C  )
       ( resid  32 and name CA  ) -1.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name C  )
       ( resid  33 and name CA  ) -0.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name C  )
       ( resid  34 and name CA  ) -9.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name C  )
       ( resid  35 and name CA  ) 11.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name C  )
       ( resid  36 and name CA  ) -2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name C  )
       ( resid  38 and name CA  )  8.18 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name C  )
       ( resid  41 and name CA  ) 17.13 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name C  )
       ( resid  43 and name CA  ) 12.61 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name C  )
       ( resid  44 and name CA  ) 14.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name C  )
       ( resid  45 and name CA  )  9.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name C  )
       ( resid  46 and name CA  ) 11.53 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name C  )
       ( resid  47 and name CA  ) -30.63 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name C  )
       ( resid  49 and name CA  ) 22.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name C  )
       ( resid  50 and name CA  ) -12.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name C  )
       ( resid  51 and name CA  ) -3.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name C  )
       ( resid  52 and name CA  )  7.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name C  )
       ( resid  58 and name CA  )  1.01 0.53

! CA-CB DIPOLAR COUPLING RESTAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name CB  ) -6.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name CB  )  3.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name CB  ) -3.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name CB  ) 20.33 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name CB  ) 12.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name CB  ) -11.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name CB  ) -6.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name CB  ) -12.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name CB  )  1.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name CB  )  2.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name CB  ) -1.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name CB  ) -8.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name CB  ) -13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name CB  ) 10.83 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name CB  )  9.74 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name CB  )  5.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name CB  )  2.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name CB  ) -23.27 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name CB  ) 13.47 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name CB  )  6.96 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name CB  ) -5.32 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name CB  ) 14.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name CB  ) -2.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name CB  ) -5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name CB  )  4.34 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name CB  ) 10.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name CB  )  5.30 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name CB  ) 12.29 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name CB  ) -26.92 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name CB  ) -11.35 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name CB  ) -10.84 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name CB  ) -25.70 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name CB  )  9.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name CB  ) -2.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name CB  )  4.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name CB  ) 20.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name CB  ) -4.93 0.30

! CA-HA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name HA  ) 11.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name HA  ) 14.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name HA  ) 14.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name HA  ) 10.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name HA  ) -1.04 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name HA  )  5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name HA  ) -2.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name HA  ) -5.49 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name HA  ) 13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name HA  )  1.97 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name HA  ) 21.99 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name HA  ) -7.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name HA  ) -1.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name HA  ) 12.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name HA  ) 15.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name HA  )  3.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name HA  )  9.06 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name HA  )  5.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name HA  ) -2.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name CA  )
       ( resid  22 and name HA  )  7.60 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name HA  )  8.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name HA  ) 15.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name HA  ) 18.72 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name HA  ) 11.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name HA  )  8.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name HA  ) -5.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name HA  ) -4.93 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name HA  )  1.94 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name HA  ) 10.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name HA  ) -1.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name HA  ) -23.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name HA  )  8.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name HA  ) 21.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name HA  ) -14.82 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name HA  )  6.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name HA  ) 12.12 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 and name HA  ) -12.76 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name HA  )  6.14 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name HA  ) 22.19 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name HA  ) -28.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name HA  ) -4.18 0.30

! CARBONYL CHEMICAL SHIFT ANISTROPY RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   1 and name C  )
       ( resid   1 and name O  ) 73.333 73.333 40 -8.29 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )
       ( resid   2 and name O  ) 73.333 73.333 40 -9.90 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  )
       ( resid   3 and name O  ) 73.333 73.333 40 -110.09 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  )
       ( resid   4 and name O  ) 73.333 73.333 40 96.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )
       ( resid   5 and name O  ) 73.333 73.333 40 -97.06 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )
       ( resid   7 and name O  ) 73.333 73.333 40 74.56 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  )
       ( resid   8 and name O  ) 73.333 73.333 40 -75.34 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  )
       ( resid   9 and name O  ) 73.333 73.333 40 111.27 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  )
       ( resid  10 and name O  ) 73.333 73.333 40 -114.56 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )
       ( resid  11 and name O  ) 73.333 73.333 40 63.59 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  )
       ( resid  12 and name O  ) 73.333 73.333 40 -79.10 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  )
       ( resid  13 and name O  ) 73.333 73.333 40 -21.17 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  )
       ( resid  14 and name O  ) 73.333 73.333 40 93.31 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  )
       ( resid  15 and name O  ) 73.333 73.333 40 -56.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  )
       ( resid  16 and name O  ) 73.333 73.333 40 65.84 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )
       ( resid  17 and name O  ) 73.333 73.333 40 -141.32 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  )
       ( resid  18 and name O  ) 73.333 73.333 40 -8.70 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )
       ( resid  19 and name O  ) 73.333 73.333 40 -96.04 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  )
       ( resid  20 and name O  ) 73.333 73.333 40 -4.07 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  )
       ( resid  21 and name O  ) 73.333 73.333 40 98.17 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )
       ( resid  22 and name O  ) 73.333 73.333 40 -46.42 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  23 and name C  )
       ( resid  23 and name O  ) 73.333 73.333 40 -51.07 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  )
       ( resid  25 and name O  ) 73.333 73.333 40 -94.36 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  )
       ( resid  26 and name O  ) 73.333 73.333 40 77.79 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )
       ( resid  28 and name O  ) 73.333 73.333 40 -26.23 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name N  )
       ( resid  29 and name C  )
       ( resid  29 and name O  ) 73.333 73.333 40  7.27 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  30 and name C  )
       ( resid  30 and name O  ) 73.333 73.333 40 -44.86 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )
       ( resid  31 and name O  ) 73.333 73.333 40 55.51 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  )
       ( resid  32 and name O  ) 73.333 73.333 40 -62.24 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )
       ( resid  33 and name O  ) 73.333 73.333 40 -1.18 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  )
       ( resid  34 and name O  ) 73.333 73.333 40 -32.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  )
       ( resid  35 and name O  ) 73.333 73.333 40 -54.21 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )
       ( resid  36 and name O  ) 73.333 73.333 40 -25.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  )
       ( resid  38 and name O  ) 73.333 73.333 40 58.88 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  )
       ( resid  41 and name O  ) 73.333 73.333 40 103.43 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  )
       ( resid  43 and name O  ) 73.333 73.333 40 -10.50 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  )
       ( resid  44 and name O  ) 73.333 73.333 40 12.19 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  )
       ( resid  45 and name O  ) 73.333 73.333 40 90.41 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )
       ( resid  46 and name O  ) 73.333 73.333 40 65.21 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  )
       ( resid  47 and name O  ) 73.333 73.333 40 -80.52 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )
       ( resid  49 and name O  ) 73.333 73.333 40 85.44 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  )
       ( resid  50 and name O  ) 73.333 73.333 40 -102.60 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )
       ( resid  51 and name O  ) 73.333 73.333 40 -30.87 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  )
       ( resid  52 and name O  ) 73.333 73.333 40 25.93 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  )
       ( resid  58 and name O  ) 73.333 73.333 40 43.34 10

! NOE-DERIVED DISTANCE RESTRAINTS
assign (resid 1 and name HA )(resid 1 and name HG# ) 3.4 1.6 1.8
assign (resid 1 and name HA )(resid 2 and name HN ) 2.5 0.7 0.7
assign (resid 1 and name HB# )(resid 27 and name HG2# ) 5.0 3.2 4
assign (resid 1 and name HE# )(resid 2 and name HN ) 5.0 3.2 3
assign (resid 1 and name HG# )(resid 2 and name HN ) 3.4 1.6 1.8
assign (resid 1 and name HG# )(resid 27 and name HG2# ) 3.4 1.6 3.3
assign (resid 2 and name HA )(resid 2 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HA )(resid 3 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HA )(resid 25 and name HN ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 26 and name HA ) 2.5 0.7 0.7
assign (resid 2 and name HA )(resid 26 and name HD# ) 3.4 1.6 1.8
assign (resid 2 and name HA )(resid 26 and name HN ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 27 and name HA ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 27 and name HD1# ) 4.0 2.2 3
assign (resid 2 and name HA )(resid 27 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HB# )(resid 3 and name HN ) 3.4 1.6 1.8
assign (resid 2 and name HG# )(resid 2 and name HN ) 3.4 1.6 1.8
assign (resid 2 and name HG# )(resid 3 and name HN ) 4.0 2.2 2.5
assign (resid 3 and name HA )(resid 3 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 25 and name HN ) 5.0 3.2 1.5
assign (resid 3 and name HA )(resid 53 and name HD1# ) 4.0 2.2 3
assign (resid 3 and name HA )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 55 and name HA ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 55 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 56 and name HA ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 56 and name HB# ) 5.0 3.2 2.5
assign (resid 3 and name HA )(resid 56 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HB# )(resid 4 and name HN ) 3.4 1.6 2.3
assign (resid 3 and name HB# )(resid 27 and name HA ) 5.0 3.2 3
assign (resid 3 and name HB# )(resid 53 and name HD1# ) 2.5 0.7 3.7
assign (resid 3 and name HB# )(resid 53 and name HG1# ) 2.5 0.7 3.2
assign (resid 3 and name HB# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 3 and name HB# )(resid 55 and name HA ) 2.5 0.7 2.2
assign (resid 3 and name HB# )(resid 55 and name HG# ) 4.0 2.2 4
assign (resid 3 and name HB# )(resid 55 and name HN ) 4.0 2.2 3
assign (resid 3 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 3 and name HN )(resid 25 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HN )(resid 26 and name HD# ) 5.0 3.2 2.5
assign (resid 3 and name HN )(resid 27 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HN )(resid 53 and name HD1# ) 4.0 2.2 3
assign (resid 3 and name HN )(resid 56 and name HA ) 5.0 3.2 1.5
assign (resid 3 and name HN )(resid 57 and name HN ) 4.0 2.2 1.5
assign (resid 4 and name HA )(resid 4 and name HD1# ) 3.4 1.6 2.3
assign (resid 4 and name HA )(resid 4 and name HG2# ) 3.4 1.6 2.3
assign (resid 4 and name HA )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HA )(resid 5 and name HN ) 2.5 0.7 0.7
assign (resid 4 and name HB )(resid 4 and name HD1# ) 2.5 0.7 2.2
assign (resid 4 and name HB )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HB )(resid 5 and name HN ) 4.0 2.2 1.5
assign (resid 4 and name HD1# )(resid 4 and name HG1# ) 2.5 0.7 3.2
assign (resid 4 and name HD1# )(resid 4 and name HN ) 4.0 2.2 3
assign (resid 4 and name HD1# )(resid 54 and name HB# ) 4.0 2.2 4
assign (resid 4 and name HD1# )(resid 54 and name HG# ) 4.0 2.2 4
ASsign (resid 4 and name HD1# )(resid 56 and name HE# ) 2.5 0.7 3.2
assign (resid 4 and name HG1# )(resid 4 and name HN ) 4.0 2.2 2.5
assign (resid 4 and name HG1# )(resid 5 and name HN ) 3.4 1.6 1.8
assign (resid 4 and name HG1# )(resid 53 and name HA ) 4.0 2.2 2.5
assign (resid 4 and name HG2# )(resid 4 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 5 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 6 and name HN ) 5.0 3.2 3
assign (resid 4 and name HG2# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 55 and name HA ) 5.0 3.2 3
assign (resid 4 and name HG2# )(resid 56 and name HA ) 4.0 2.2 3
assign (resid 4 and name HG2# )(resid 56 and name HN ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 53 and name HG2# ) 4.0 2.2 3
assign (resid 4 and name HN )(resid 54 and name HB# ) 4.0 2.2 2.5
assign (resid 4 and name HN )(resid 54 and name HG# ) 5.0 3.2 2.5
assign (resid 4 and name HN )(resid 54 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HN )(resid 55 and name HA ) 4.0 2.2 1.5
assign (resid 4 and name HN )(resid 56 and name HG# ) 3.4 1.6 1.8
assign (resid 5 and name HA )(resid 5 and name HN ) 3.4 1.6 0.8
assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.7
assign (resid 5 and name HA )(resid 7 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HA )(resid 25 and name HD1# ) 4.0 2.2 3
assign (resid 5 and name HA )(resid 25 and name HD2# ) 5.0 3.2 3
assign (resid 5 and name HA )(resid 52 and name HA ) 5.0 3.2 1.5
assign (resid 5 and name HA )(resid 53 and name HA ) 2.5 0.7 0.7
assign (resid 5 and name HA )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 5 and name HA )(resid 53 and name HG2# ) 2.5 0.7 2.2
assign (resid 5 and name HA )(resid 53 and name HN ) 5.0 3.2 1.5
assign (resid 5 and name HA )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HB# )(resid 6 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 7 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 25 and name HD1# ) 5.0 3.2 4.5
assign (resid 5 and name HB# )(resid 25 and name HG ) 2.5 0.7 2.2
assign (resid 5 and name HB# )(resid 53 and name HA ) 4.0 2.2 3
assign (resid 5 and name HN )(resid 25 and name HB# ) 4.0 2.2 2.5
assign (resid 5 and name HN )(resid 25 and name HD1# ) 3.4 1.6 2.3
assign (resid 5 and name HN )(resid 25 and name HD2# ) 4.0 2.2 3
assign (resid 5 and name HN )(resid 25 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HN )(resid 53 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HA )(resid 6 and name HG# ) 3.4 1.6 1.8
assign (resid 6 and name HA )(resid 6 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HA )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HA )(resid 53 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HB# )(resid 7 and name HD2 ) 4.0 2.2 2.5
assign (resid 6 and name HB# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HB# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 6 and name HD# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HG# )(resid 6 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HG# )(resid 7 and name HD2 ) 5.0 3.2 2.5
assign (resid 6 and name HG# )(resid 7 and name HN ) 4.0 2.2 2.5
assign (resid 6 and name HG# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 6 and name HN )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 25 and name HD2# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 52 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 52 and name HB# ) 5.0 3.2 2.5
assign (resid 6 and name HN )(resid 53 and name HA ) 3.4 1.6 0.8
assign (resid 6 and name HN )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 53 and name HG2# ) 3.4 1.6 2.3
assign (resid 6 and name HN )(resid 53 and name HN ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 7 and name HA )(resid 7 and name HE1 ) 4.0 2.2 1.5
assign (resid 7 and name HA )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 7 and name HB# )(resid 7 and name HD2 ) 4.0 2.2 2.5
assign (resid 7 and name HB# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 7 and name HB# )(resid 8 and name HN ) 3.4 1.6 1.8
assign (resid 7 and name HB# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 7 and name HB# )(resid 52 and name HB# ) 5.0 3.2 3.5
assign (resid 7 and name HB# )(resid 52 and name HD# ) 4.0 2.2 4.5
assign (resid 7 and name HB# )(resid 52 and name HE# ) 4.0 2.2 4.5
assign (resid 7 and name HD2 )(resid 52 and name HA ) 3.4 1.6 0.8
assign (resid 7 and name HE1 )(resid 7 and name HN ) 5.0 3.2 1.5
assign (resid 7 and name HN )(resid 52 and name HB# ) 4.0 2.2 2.5
assign (resid 7 and name HN )(resid 53 and name HA ) 4.0 2.2 1.5
assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.7
assign (resid 8 and name HB# )(resid 9 and name HN ) 3.4 1.6 1.8
assign (resid 8 and name HN )(resid 52 and name HD# ) 5.0 3.2 3.5
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assign (resid 57 and name HA )(resid 58 and name HN ) 3.4 1.6 0.8
assign (resid 57 and name HB# )(resid 58 and name HN ) 3.4 1.6 1.8
assign (resid 58 and name HA )(resid 59 and name HN ) 3.4 1.6 0.8
assign (resid 58 and name HB# )(resid 59 and name HN ) 3.4 1.6 1.8

! DIHEDRAL ANGLE RESTRAINTS
assign ( resid 3 and name C) ( resid 4 and name N)
       ( resid 4 and name CA) ( resid 4 and name C) 1.0 -124.00  48.00 2
 assign ( resid 4 and name N) ( resid 4 and name CA)
       ( resid 4 and name C) ( resid 5 and name N) 1.0 135.00  28.00 2

assign ( resid 4 and name C) ( resid 5 and name N)
       ( resid 5 and name CA) ( resid 5 and name C) 1.0 -102.00  68.00 2
 assign ( resid 5 and name N) ( resid 5 and name CA)
       ( resid 5 and name C) ( resid 6 and name N) 1.0 124.00  28.00 2

assign ( resid 6 and name C) ( resid 7 and name N)
       ( resid 7 and name CA) ( resid 7 and name C) 1.0 -144.00  34.00 2
 assign ( resid 7 and name N) ( resid 7 and name CA)
       ( resid 7 and name C) ( resid 8 and name N) 1.0 151.00  26.00 2

assign ( resid 8 and name C) ( resid 9 and name N)
       ( resid 9 and name CA) ( resid 9 and name C) 1.0 -115.00  34.00 2
 assign ( resid 9 and name N) ( resid 9 and name CA)
       ( resid 9 and name C) ( resid 10 and name N) 1.0 135.00  26.00 2

assign ( resid 9 and name C) ( resid 10 and name N)
       ( resid 10 and name CA) ( resid 10 and name C) 1.0 -106.00  30.00 2
 assign ( resid 10 and name N) ( resid 10 and name CA)
       ( resid 10 and name C) ( resid 11 and name N) 1.0 122.00  26.00 2

assign ( resid 10 and name C) ( resid 11 and name N)
       ( resid 11 and name CA) ( resid 11 and name C) 1.0 -96.00  40.00 2
 assign ( resid 11 and name N) ( resid 11 and name CA)
       ( resid 11 and name C) ( resid 12 and name N) 1.0 140.00  34.00 2

assign ( resid 12 and name C) ( resid 13 and name N)
       ( resid 13 and name CA) ( resid 13 and name C) 1.0 -121.00  66.00 2
 assign ( resid 13 and name N) ( resid 13 and name CA)
       ( resid 13 and name C) ( resid 14 and name N) 1.0 168.00  34.00 2

assign ( resid 19 and name C) ( resid 20 and name N)
       ( resid 20 and name CA) ( resid 20 and name C) 1.0 -113.00  54.00 2
 assign ( resid 20 and name N) ( resid 20 and name CA)
       ( resid 20 and name C) ( resid 21 and name N) 1.0 163.00  24.00 2

assign ( resid 24 and name C) ( resid 25 and name N)
       ( resid 25 and name CA) ( resid 25 and name C) 1.0 -91.00  50.00 2
 assign ( resid 25 and name N) ( resid 25 and name CA)
       ( resid 25 and name C) ( resid 26 and name N) 1.0 137.00  26.00 2

assign ( resid 25 and name C) ( resid 26 and name N)
       ( resid 26 and name CA) ( resid 26 and name C) 1.0 -96.00  42.00 2
 assign ( resid 26 and name N) ( resid 26 and name CA)
       ( resid 26 and name C) ( resid 27 and name N) 1.0 122.00  46.00 2

assign ( resid 26 and name C) ( resid 27 and name N)
       ( resid 27 and name CA) ( resid 27 and name C) 1.0 -109.00  32.00 2
 assign ( resid 27 and name N) ( resid 27 and name CA)
       ( resid 27 and name C) ( resid 28 and name N) 1.0 124.00  30.00 2

assign ( resid 31 and name C) ( resid 32 and name N)
       ( resid 32 and name CA) ( resid 32 and name C) 1.0 -68.00  32.00 2
 assign ( resid 32 and name N) ( resid 32 and name CA)
       ( resid 32 and name C) ( resid 33 and name N) 1.0 -21.00  20.00 2

assign ( resid 35 and name C) ( resid 36 and name N)
       ( resid 36 and name CA) ( resid 36 and name C) 1.0 -108.00  58.00 2
 assign ( resid 36 and name N) ( resid 36 and name CA)
       ( resid 36 and name C) ( resid 37 and name N) 1.0 148.00  24.00 2

assign ( resid 36 and name C) ( resid 37 and name N)
       ( resid 37 and name CA) ( resid 37 and name C) 1.0 -113.00  68.00 2
 assign ( resid 37 and name N) ( resid 37 and name CA)
       ( resid 37 and name C) ( resid 38 and name N) 1.0 142.00  30.00 2

assign ( resid 38 and name C) ( resid 39 and name N)
       ( resid 39 and name CA) ( resid 39 and name C) 1.0 -133.00  62.00 2
 assign ( resid 39 and name N) ( resid 39 and name CA)
       ( resid 39 and name C) ( resid 40 and name N) 1.0 147.00  30.00 2

assign ( resid 40 and name C) ( resid 41 and name N)
       ( resid 41 and name CA) ( resid 41 and name C) 1.0 -118.00  40.00 2
 assign ( resid 41 and name N) ( resid 41 and name CA)
       ( resid 41 and name C) ( resid 42 and name N) 1.0 120.00  22.00 2

assign ( resid 42 and name C) ( resid 43 and name N)
       ( resid 43 and name CA) ( resid 43 and name C) 1.0  84.00  20.00 2
 assign ( resid 43 and name N) ( resid 43 and name CA)
       ( resid 43 and name C) ( resid 44 and name N) 1.0   3.00  26.00 2

assign ( resid 43 and name C) ( resid 44 and name N)
       ( resid 44 and name CA) ( resid 44 and name C) 1.0 -109.00  32.00 2
 assign ( resid 44 and name N) ( resid 44 and name CA)
       ( resid 44 and name C) ( resid 45 and name N) 1.0 137.00  34.00 2

assign ( resid 44 and name C) ( resid 45 and name N)
       ( resid 45 and name CA) ( resid 45 and name C) 1.0 -122.00  20.00 2
 assign ( resid 45 and name N) ( resid 45 and name CA)
       ( resid 45 and name C) ( resid 46 and name N) 1.0 146.00  30.00 2

assign ( resid 46 and name C) ( resid 47 and name N)
       ( resid 47 and name CA) ( resid 47 and name C) 1.0 -113.00  54.00 2
 assign ( resid 47 and name N) ( resid 47 and name CA)
       ( resid 47 and name C) ( resid 48 and name N) 1.0 145.00  34.00 2

assign ( resid 50 and name C) ( resid 51 and name N)
       ( resid 51 and name CA) ( resid 51 and name C) 1.0 -87.00  30.00 2
 assign ( resid 51 and name N) ( resid 51 and name CA)
       ( resid 51 and name C) ( resid 52 and name N) 1.0 -19.00  32.00 2

assign ( resid 52 and name C) ( resid 53 and name N)
       ( resid 53 and name CA) ( resid 53 and name C) 1.0 -135.00  34.00 2
 assign ( resid 53 and name N) ( resid 53 and name CA)
       ( resid 53 and name C) ( resid 54 and name N) 1.0 152.00  34.00 2

! HYDROGEN BOND RESTRAINTS
assign (resid 4 and name o ) (resid 54 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 4 and name o ) (resid 54 and name n  ) 2.8 0.4 0.5

assign (resid 54 and name o ) (resid 4 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 54 and name o ) (resid 4 and name n  ) 2.8 0.4 0.5

assign (resid 3 and name o ) (resid 25 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 3 and name o ) (resid 25 and name n  ) 2.8 0.4 0.5

assign (resid 25 and name o ) (resid 3 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 25 and name o ) (resid 3 and name n  ) 2.8 0.4 0.5

assign (resid 5 and name o ) (resid 22 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 5 and name o ) (resid 22 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 52 and name o ) (resid 6 and name hn ) 1.8 0.3 0.5
assign (resid 52 and name o ) (resid 6 and name n )  2.8 0.4 0.5 ! 

assign (resid 9 and name o ) (resid 19 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 9 and name o ) (resid 19 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 19 and name o ) (resid 9 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 19 and name o ) (resid 9 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 20 and name o ) (resid 23 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 20 and name o ) (resid 23 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 26 and name o ) (resid 40 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 26 and name o ) (resid 40 and name n  ) 2.8 0.4 0.5

assign (resid 40 and name o ) (resid 26 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 40 and name o ) (resid 26 and name n  ) 2.8 0.4 0.5

assign (resid 35 and name o ) (resid 50 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 35 and name o ) (resid 50 and name n  ) 2.8 0.4 0.5

assign (resid 37 and name o ) (resid 48 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 37 and name o ) (resid 48 and name n  ) 2.8 0.4 0.5

assign (resid 48 and name o ) (resid 37 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 48 and name o ) (resid 37 and name n  ) 2.8 0.4 0.5

assign (resid 38 and name o ) (resid 28 and name hn ) 1.8 0.3 0.5 !! this is a maybe
assign (resid 38 and name o ) (resid 28 and name n  ) 2.8 0.4 0.5 !! based on other structs

assign (resid 39 and name o ) (resid 46 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 39 and name o ) (resid 46 and name n  ) 2.8 0.4 0.5

assign (resid 46 and name o ) (resid 39 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 46 and name o ) (resid 39 and name n  ) 2.8 0.4 0.5

assign (resid 41 and name o ) (resid 44 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 41 and name o ) (resid 44 and name n  ) 2.8 0.4 0.5

assign (resid 44 and name o ) (resid 41 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 44 and name o ) (resid 41 and name n  ) 2.8 0.4 0.5

assign (resid 47 and name o ) (resid 17 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 47 and name o ) (resid 17 and name n  ) 2.8 0.4 0.5

#
#  HNHA J-coupling constraints
#

assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      9.58   0.50
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      9.54   0.50
 
assign ( resid   4 and name C   ) ( resid   5 and name N  )
       ( resid   5 and name CA  ) ( resid   5 and name C  )      4.78   0.50
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      7.83   0.50
 
assign ( resid   6 and name C   ) ( resid   7 and name N  )
       ( resid   7 and name CA  ) ( resid   7 and name C  )      8.09   0.50
 
assign ( resid   7 and name C   ) ( resid   8 and name N  )
       ( resid   8 and name CA  ) ( resid   8 and name C  )      9.43   0.50
 
assign ( resid   8 and name C   ) ( resid   9 and name N  )
       ( resid   9 and name CA  ) ( resid   9 and name C  )      9.12   0.50
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      9.73   0.50
 
assign ( resid  10 and name C   ) ( resid  11 and name N  )
       ( resid  11 and name CA  ) ( resid  11 and name C  )      3.13   0.50
 
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )     10.06   0.50
 
assign ( resid  12 and name C   ) ( resid  13 and name N  )
       ( resid  13 and name CA  ) ( resid  13 and name C  )      7.40   0.50
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      3.35   0.50
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      8.18   0.50
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      8.79   0.50
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      9.42   0.50
 
assign ( resid  17 and name C   ) ( resid  18 and name N  )
       ( resid  18 and name CA  ) ( resid  18 and name C  )      7.24   0.50
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      6.04   0.50
 
assign ( resid  19 and name C   ) ( resid  20 and name N  )
       ( resid  20 and name CA  ) ( resid  20 and name C  )      9.61   0.50
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      7.45   0.50
 
assign ( resid  22 and name C   ) ( resid  23 and name N  )
       ( resid  23 and name CA  ) ( resid  23 and name C  )      5.78   0.50
 
assign ( resid  23 and name C   ) ( resid  24 and name N  )
       ( resid  24 and name CA  ) ( resid  24 and name C  )      8.59   0.50
 
assign ( resid  24 and name C   ) ( resid  25 and name N  )
       ( resid  25 and name CA  ) ( resid  25 and name C  )      9.49   0.50
 
assign ( resid  25 and name C   ) ( resid  26 and name N  )
       ( resid  26 and name CA  ) ( resid  26 and name C  )      8.65   0.50
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      8.49   0.50
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      8.98   0.50
 
assign ( resid  28 and name C   ) ( resid  29 and name N  )
       ( resid  29 and name CA  ) ( resid  29 and name C  )      7.60   0.50
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      9.12   0.50
 
assign ( resid  30 and name C   ) ( resid  31 and name N  )
       ( resid  31 and name CA  ) ( resid  31 and name C  )      7.91   0.50
 
assign ( resid  31 and name C   ) ( resid  32 and name N  )
       ( resid  32 and name CA  ) ( resid  32 and name C  )      4.94   0.50
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      8.14   0.50
 
assign ( resid  33 and name C   ) ( resid  34 and name N  )
       ( resid  34 and name CA  ) ( resid  34 and name C  )      6.35   0.50
 
assign ( resid  34 and name C   ) ( resid  35 and name N  )
       ( resid  35 and name CA  ) ( resid  35 and name C  )      8.55   0.50
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      9.27   0.50
 
assign ( resid  36 and name C   ) ( resid  37 and name N  )
       ( resid  37 and name CA  ) ( resid  37 and name C  )     10.10   0.50
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      9.11   0.50
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      9.45   0.50
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      7.91   0.50
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      6.49   0.50
 
assign ( resid  42 and name C   ) ( resid  43 and name N  )
       ( resid  43 and name CA  ) ( resid  43 and name C  )      5.77   0.50
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      9.43   0.50
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      9.16   0.50
 
assign ( resid  45 and name C   ) ( resid  46 and name N  )
       ( resid  46 and name CA  ) ( resid  46 and name C  )      3.10   0.50
 
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      9.41   0.50
 
assign ( resid  49 and name C   ) ( resid  50 and name N  )
       ( resid  50 and name CA  ) ( resid  50 and name C  )      2.86   0.50
 
assign ( resid  50 and name C   ) ( resid  51 and name N  )
       ( resid  51 and name CA  ) ( resid  51 and name C  )      6.30   0.50
 
assign ( resid  51 and name C   ) ( resid  52 and name N  )
       ( resid  52 and name CA  ) ( resid  52 and name C  )      8.77   0.50
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )     10.03   0.50
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      6.37   0.50
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      7.25   0.50
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      7.53   0.50
 
assign ( resid  57 and name C   ) ( resid  58 and name N  )
       ( resid  58 and name CA  ) ( resid  58 and name C  )      7.38   0.50
 
assign ( resid  58 and name C   ) ( resid  59 and name N  )
       ( resid  59 and name CA  ) ( resid  59 and name C  )      7.14   0.50
 
assign ( segid C0 and resid 22 and name ha1) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
( segid C0 and resid 22 and name ha2) ( segid C0 and resid 22 and name ca)
( segid C0 and resid 22 and name n ) ( segid C0 and resid 22 and name hn)
       7.450 0.5
       4.750 0.5
 
assign ( segid C0 and resid 43 and name ha1) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
( segid C0 and resid 43 and name ha2) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
       5.770 0.5
       5.550 0.5
 
assign ( segid C0 and resid 46 and name ha1) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
( segid C0 and resid 46 and name ha2) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
       3.100 0.5
       4.000 0.5


ANI constraints
ATOM  1079  X   ANI  500  71.888 -79.895 -16.823  1.00  0.00         
ATOM  1080  Y   ANI  500  71.168 -81.082 -16.866  1.00  0.00         
ATOM  1081  Z   ANI  500  71.172 -80.227 -17.942  1.00  0.00         
ATOM  1082  OO  ANI  500  70.922 -80.118 -16.980  1.00  0.00     
   loop_
      _Atom_shift_assign_ID
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

   1    1   MET  C  C  171.6881409  0.230  1  
   2    2   GLU  C  C  173.6014557  0.230  1  
   3    2   GLU  H  H    8.9333801  0.050  1  
   4    2   GLU  N  N  124.3254929  0.600  1  
   5    3   ALA  C  C  174.1169586  0.230  1  
   6    3   ALA  H  H    8.9447298  0.050  1  
   7    3   ALA  N  N  121.0545197  0.600  1  
   8    4   ILE  C  C  175.7714844  0.230  1  
   9    4   ILE  H  H    8.8090000  0.050  1  
  10    4   ILE  N  N  118.3341599  0.600  1  
  11    5   ALA  C  C  178.8822021  0.230  1  
  12    5   ALA  H  H    8.6825504  0.050  1  
  13    5   ALA  N  N  127.1823273  0.600  1  
  14    6   LYS  C  C  174.4335327  0.230  1  
  15    6   LYS  H  H    9.5045900  0.050  1  
  16    6   LYS  N  N  124.6161728  0.600  1  
  17    7   HIS  C  C  172.0255280  0.230  1  
  18    7   HIS  H  H    7.5358300  0.050  1  
  19    7   HIS  N  N  112.9623184  0.600  1  
  20    8   ASP  C  C  175.6772156  0.230  1  
  21    8   ASP  H  H    8.6699696  0.050  1  
  22    8   ASP  N  N  119.6531601  0.600  1  
  23    9   PHE  C  C  173.2713928  0.230  1  
  24    9   PHE  H  H    8.6513901  0.050  1  
  25    9   PHE  N  N  120.7027206  0.600  1  
  26   10   SER  C  C  180.4233246  0.230  1  
  27   10   SER  H  H    7.6369700  0.050  1  
  28   10   SER  N  N  122.9216003  0.600  1  
  29   11   ALA  C  C  178.3061371  0.230  1  
  30   11   ALA  H  H    8.2525597  0.050  1  
  31   11   ALA  N  N  126.6445312  0.600  1  
  32   12   THR  C  C  173.0455627  0.230  1  
  33   12   THR  H  H    8.7008495  0.050  1  
  34   12   THR  N  N  111.8098221  0.600  1  
  35   13   ALA  C  C  177.8503571  0.230  1  
  36   13   ALA  H  H    7.4152498  0.050  1  
  37   13   ALA  N  N  122.7717896  0.600  1  
  38   14   ASP  C  C  175.7149658  0.230  1  
  39   14   ASP  H  H    8.6109695  0.050  1  
  40   14   ASP  N  N  118.3371964  0.600  1  
  41   15   ASP  C  C  175.7997131  0.230  1  
  42   15   ASP  H  H    8.1847601  0.050  1  
  43   15   ASP  N  N  114.0392075  0.600  1  
  44   16   GLU  C  C  174.9925385  0.230  1  
  45   16   GLU  H  H    7.4107499  0.050  1  
  46   16   GLU  N  N  118.0479584  0.600  1  
  47   17   LEU  C  C  174.3858337  0.230  1  
  48   17   LEU  H  H    8.4200602  0.050  1  
  49   17   LEU  N  N  123.1603012  0.600  1  
  50   18   SER  C  C  173.4687042  0.230  1  
  51   18   SER  H  H    7.8236098  0.050  1  
  52   18   SER  N  N  115.9511795  0.600  1  
  53   19   PHE  C  C  173.6317596  0.230  1  
  54   19   PHE  H  H    8.6389503  0.050  1  
  55   19   PHE  N  N  113.9024963  0.600  1  
  56   20   ARG  C  C  175.3895264  0.230  1  
  57   20   ARG  H  H    9.4388704  0.050  1  
  58   20   ARG  N  N  118.7265778  0.600  1  
  59   21   LYS  C  C  176.5613556  0.230  1  
  60   21   LYS  H  H    9.1900997  0.050  1  
  61   21   LYS  N  N  120.0558929  0.600  1  
  62   22   GLY  C  C  173.9972839  0.230  1  
  63   22   GLY  H  H    8.9026203  0.050  1  
  64   22   GLY  N  N  113.6464081  0.600  1  
  65   23   GLY  C  C  173.8290253  0.230  1  
  66   23   GLY  H  H    8.0752497  0.050  1  
  67   23   GLY  N  N  118.0474167  0.600  1  
  68   24   ILE  H  H    8.2273302  0.050  1  
  69   24   ILE  N  N  119.9284592  0.600  1  
  70   25   LEU  C  C  175.1536102  0.230  1  
  71   26   LYS  C  C  175.6577911  0.230  1  
  72   26   LYS  H  H    8.2319002  0.050  1  
  73   26   LYS  N  N  121.3133621  0.600  1  
  74   27   ILE  H  H    8.4175196  0.050  1  
  75   27   ILE  N  N  123.7038727  0.600  1  
  76   29   ASN  C  C  173.2831879  0.230  1  
  77   30   MET  C  C  174.3501282  0.230  1  
  78   30   MET  H  H    8.8242397  0.050  1  
  79   30   MET  N  N  122.6728134  0.600  1  
  80   31   GLY  C  C  176.4478455  0.230  1  
  81   31   GLY  H  H    8.0957003  0.050  1  
  82   31   GLY  N  N  120.3622513  0.600  1  
  83   32   ASP  C  C  176.1223145  0.230  1  
  84   32   ASP  H  H    8.4169903  0.050  1  
  85   32   ASP  N  N  120.4869003  0.600  1  
  86   33   ASP  C  C  175.1393738  0.230  1  
  87   33   ASP  H  H    8.2316103  0.050  1  
  88   33   ASP  N  N  118.1339111  0.600  1  
  89   34   SER  C  C  174.7287292  0.230  1  
  90   34   SER  H  H    8.2064304  0.050  1  
  91   34   SER  N  N  115.3615112  0.600  1  
  92   35   ASN  C  C  174.4112549  0.230  1  
  93   35   ASN  H  H    8.9129000  0.050  1  
  94   35   ASN  N  N  118.6139069  0.600  1  
  95   36   TRP  C  C  174.6216431  0.230  1  
  96   36   TRP  H  H    7.9674201  0.050  1  
  97   36   TRP  N  N  120.6782532  0.600  1  
  98   37   TYR  C  C  175.0806427  0.230  1  
  99   37   TYR  H  H    8.9532900  0.050  1  
 100   37   TYR  N  N  119.7913208  0.600  1  
 101   38   ARG  H  H    8.7415400  0.050  1  
 102   38   ARG  N  N  120.5781631  0.600  1  
 103   38   ARG  C  C  174.9208374  0.230  1  
 104   39   ALA  H  H    9.5377302  0.050  1  
 105   39   ALA  N  N  130.4782715  0.600  1  
 106   40   GLU  C  C  174.4204712  0.230  1  
 107   41   LEU  H  H    8.9210701  0.050  1  
 108   41   LEU  N  N  125.1365433  0.600  1  
 109   41   LEU  C  C  175.5914001  0.230  1  
 110   42   ASP  H  H    9.6713200  0.050  1  
 111   42   ASP  N  N  128.8639526  0.600  1  
 112   43   GLY  C  C  173.5042725  0.230  1  
 113   44   LYS  C  C  173.7660828  0.230  1  
 114   44   LYS  H  H    7.9055099  0.050  1  
 115   44   LYS  N  N  121.6958313  0.600  1  
 116   45   GLU  C  C  176.6882477  0.230  1  
 117   45   GLU  H  H    8.4774199  0.050  1  
 118   45   GLU  N  N  119.8234863  0.600  1  
 119   46   GLY  C  C  179.5921021  0.230  1  
 120   46   GLY  H  H    8.8420296  0.050  1  
 121   46   GLY  N  N  107.1500000  0.600  1  
 122   47   LEU  C  C  177.4708405  0.230  1  
 123   47   LEU  H  H    9.2348900  0.050  1  
 124   47   LEU  N  N  119.5968170  0.600  1  
 125   48   ILE  H  H    9.4011602  0.050  1  
 126   48   ILE  N  N  111.8098602  0.600  1  
 127   49   PRO  C  C  178.4855347  0.230  1  
 128   50   SER  C  C  174.9181824  0.230  1  
 129   50   SER  H  H    7.8369498  0.050  1  
 130   50   SER  N  N  119.1935806  0.600  1  
 131   51   ASN  C  C  175.6506348  0.230  1  
 132   51   ASN  H  H    8.3375998  0.050  1  
 133   51   ASN  N  N  114.5659332  0.600  1  
 134   52   TYR  C  C  174.5591125  0.230  1  
 135   52   TYR  H  H    7.6818299  0.050  1  
 136   52   TYR  N  N  118.0601578  0.600  1  
 137   53   ILE  C  C  173.4104462  0.230  1  
 138   53   ILE  H  H    7.2350402  0.050  1  
 139   53   ILE  N  N  110.3554382  0.600  1  
 140   54   GLU  H  H    8.7187901  0.050  1  
 141   54   GLU  N  N  119.7139816  0.600  1  
 142   55   MET  C  C  176.3948900  0.230  1  
 143   56   LYS  H  H    8.6823397  0.050  1  
 144   56   LYS  N  N  123.2229080  0.600  1  
 145   56   LYS  C  C  175.7243958  0.230  1  
 146   57   ASN  H  H    8.5904303  0.050  1  
 147   57   ASN  N  N  120.2702713  0.600  1  
 148   57   ASN  C  C  174.2355499  0.230  1  
 149   58   HIS  H  H    8.2416000  0.050  1  
 150   58   HIS  N  N  117.1619110  0.600  1  
 151   58   HIS  C  C  173.0108795  0.230  1  
 152   59   ASP  H  H    8.3274603  0.050  1  
 153   59   ASP  N  N  126.4401169  0.600  1  

stop_

save_


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   1.125  -9.819  -3.048
    2   2H    MET   1          2H        MET   1   0.842 -10.986  -4.274
    3   3H    MET   1          3H        MET   1  -0.037 -11.058  -2.805
    4    HA   MET   1           HA       MET   1  -0.172  -8.794  -4.658
    5   1HB   MET   1          1HB       MET   1  -1.908 -11.262  -4.370
    6   2HB   MET   1          2HB       MET   1  -2.408  -9.830  -5.254
    7   1HG   MET   1          1HG       MET   1  -0.985 -10.226  -6.999
    8   2HG   MET   1          2HG       MET   1   0.149 -11.148  -6.015
    9   1HE   MET   1          1HE       MET   1  -2.590 -13.664  -4.943
   10   2HE   MET   1          2HE       MET   1  -1.001 -13.003  -4.559
   11   3HE   MET   1          3HE       MET   1  -1.134 -14.462  -5.541
   12    H    GLU   2           H        GLU   2  -0.647 -10.008  -1.580
   13    HA   GLU   2           HA       GLU   2  -2.543  -7.845  -1.042
   14   1HB   GLU   2          1HB       GLU   2  -2.530 -10.631   0.020
   15   2HB   GLU   2          2HB       GLU   2  -3.050  -9.340   1.092
   16   1HG   GLU   2          1HG       GLU   2  -4.972  -8.992  -0.035
   17   2HG   GLU   2          2HG       GLU   2  -4.260  -9.387  -1.599
   18    H    ALA   3           H        ALA   3  -2.131  -6.603   0.850
   19    HA   ALA   3           HA       ALA   3   0.143  -7.363   2.516
   20   1HB   ALA   3          1HB       ALA   3   0.585  -5.661   0.417
   21   2HB   ALA   3          2HB       ALA   3   1.576  -5.785   1.869
   22   3HB   ALA   3          3HB       ALA   3   0.313  -4.555   1.764
   23    H    ILE   4           H        ILE   4   0.446  -6.002   4.346
   24    HA   ILE   4           HA       ILE   4  -2.043  -4.692   5.199
   25    HB   ILE   4           HB       ILE   4  -1.892  -6.925   6.212
   26   1HG1  ILE   4          1HG1      ILE   4  -2.800  -4.765   7.371
   27   2HG1  ILE   4          2HG1      ILE   4  -2.667  -6.268   8.276
   28   1HG2  ILE   4          1HG2      ILE   4   0.206  -7.619   6.584
   29   2HG2  ILE   4          2HG2      ILE   4  -0.067  -6.909   8.175
   30   3HG2  ILE   4          3HG2      ILE   4   0.804  -6.000   6.940
   31   1HD1  ILE   4          1HD1      ILE   4  -1.488  -5.185   9.788
   32   2HD1  ILE   4          2HD1      ILE   4  -1.487  -3.734   8.791
   33   3HD1  ILE   4          3HD1      ILE   4  -0.215  -4.936   8.592
   34    H    ALA   5           H        ALA   5  -1.865  -2.837   6.339
   35    HA   ALA   5           HA       ALA   5   0.605  -1.416   6.289
   36   1HB   ALA   5          1HB       ALA   5  -0.620   0.433   6.821
   37   2HB   ALA   5          2HB       ALA   5  -1.703  -0.456   7.893
   38   3HB   ALA   5          3HB       ALA   5  -1.883  -0.595   6.142
   39    H    LYS   6           H        LYS   6   2.187  -1.445   7.733
   40    HA   LYS   6           HA       LYS   6   1.705  -2.588  10.390
   41   1HB   LYS   6          1HB       LYS   6   3.951  -2.460   8.655
   42   2HB   LYS   6          2HB       LYS   6   4.368  -1.557  10.106
   43   1HG   LYS   6          1HG       LYS   6   3.104  -4.225  10.422
   44   2HG   LYS   6          2HG       LYS   6   4.792  -4.146   9.915
   45   1HD   LYS   6          1HD       LYS   6   5.257  -4.018  12.104
   46   2HD   LYS   6          2HD       LYS   6   4.711  -2.344  11.982
   47   1HE   LYS   6          1HE       LYS   6   2.729  -2.772  13.014
   48   2HE   LYS   6          2HE       LYS   6   2.641  -4.423  12.403
   49   1HZ   LYS   6          1HZ       LYS   6   4.520  -4.918  13.990
   50   2HZ   LYS   6          2HZ       LYS   6   3.017  -4.601  14.698
   51   3HZ   LYS   6          3HZ       LYS   6   4.217  -3.409  14.694
   52    H    HIS   7           H        HIS   7   1.736   0.419   8.902
   53    HA   HIS   7           HA       HIS   7   1.304   1.757  11.419
   54   1HB   HIS   7          1HB       HIS   7   3.556   2.651   9.625
   55   2HB   HIS   7          2HB       HIS   7   3.012   3.481  11.074
   56    HD1  HIS   7           HD1      HIS   7   3.270   1.906  13.342
   57    HD2  HIS   7           HD2      HIS   7   5.616   0.964  10.043
   58    HE1  HIS   7           HE1      HIS   7   5.153   0.495  14.234
   59    HE2  HIS   7           HE2      HIS   7   6.597  -0.004  12.231
   60    H    ASP   8           H        ASP   8   1.088   4.178  10.923
   61    HA   ASP   8           HA       ASP   8  -1.066   4.365   9.028
   62   1HB   ASP   8          1HB       ASP   8  -1.458   5.435  11.102
   63   2HB   ASP   8          2HB       ASP   8   0.115   6.222  11.085
   64    H    PHE   9           H        PHE   9  -1.157   5.672   7.150
   65    HA   PHE   9           HA       PHE   9   1.330   7.055   6.478
   66   1HB   PHE   9          1HB       PHE   9   1.810   5.185   5.258
   67   2HB   PHE   9          2HB       PHE   9   0.112   4.790   5.001
   68    HD1  PHE   9           HD1      PHE   9   2.327   7.683   4.179
   69    HD2  PHE   9           HD2      PHE   9  -0.490   4.800   2.853
   70    HE1  PHE   9           HE1      PHE   9   2.468   8.601   1.900
   71    HE2  PHE   9           HE2      PHE   9  -0.362   5.693   0.574
   72    HZ   PHE   9           HZ       PHE   9   1.120   7.581   0.111
   73    H    SER  10           H        SER  10   1.097   8.927   5.522
   74    HA   SER  10           HA       SER  10  -1.389   9.558   4.064
   75   1HB   SER  10          1HB       SER  10  -0.298  11.969   5.016
   76   2HB   SER  10          2HB       SER  10  -1.760  11.177   5.605
   77    HG   SER  10           HG       SER  10  -0.500  10.097   7.138
   78    H    ALA  11           H        ALA  11  -1.160  10.266   2.092
   79    HA   ALA  11           HA       ALA  11   1.108   9.877   0.610
   80   1HB   ALA  11          1HB       ALA  11  -0.183  11.606  -0.935
   81   2HB   ALA  11          2HB       ALA  11  -1.463  11.263   0.228
   82   3HB   ALA  11          3HB       ALA  11  -0.731   9.948  -0.687
   83    H    THR  12           H        THR  12   2.777  10.967  -0.020
   84    HA   THR  12           HA       THR  12   3.136  13.700   0.968
   85    HB   THR  12           HB       THR  12   5.073  11.398   0.565
   86    HG1  THR  12           HG1      THR  12   5.050  13.051   2.814
   87   1HG2  THR  12          1HG2      THR  12   6.076  14.100   1.401
   88   2HG2  THR  12          2HG2      THR  12   6.021  13.662  -0.304
   89   3HG2  THR  12          3HG2      THR  12   6.966  12.692   0.821
   90    H    ALA  13           H        ALA  13   2.108  12.321  -1.648
   91    HA   ALA  13           HA       ALA  13   3.031  14.499  -3.339
   92   1HB   ALA  13          1HB       ALA  13   3.128  11.993  -4.806
   93   2HB   ALA  13          2HB       ALA  13   4.299  12.033  -3.489
   94   3HB   ALA  13          3HB       ALA  13   4.317  13.295  -4.721
   95    H    ASP  14           H        ASP  14   1.854  14.551  -5.359
   96    HA   ASP  14           HA       ASP  14  -0.893  14.496  -4.879
   97   1HB   ASP  14          1HB       ASP  14   0.701  15.761  -6.668
   98   2HB   ASP  14          2HB       ASP  14  -0.084  14.584  -7.715
   99    H    ASP  15           H        ASP  15   1.136  12.217  -6.539
  100    HA   ASP  15           HA       ASP  15  -1.129  10.687  -7.543
  101   1HB   ASP  15          1HB       ASP  15   1.641  11.073  -8.215
  102   2HB   ASP  15          2HB       ASP  15   1.278   9.355  -8.079
  103    H    GLU  16           H        GLU  16  -0.327  10.815  -4.602
  104    HA   GLU  16           HA       GLU  16   0.283   7.992  -4.106
  105   1HB   GLU  16          1HB       GLU  16   1.818   9.775  -3.301
  106   2HB   GLU  16          2HB       GLU  16   0.516  10.395  -2.306
  107   1HG   GLU  16          1HG       GLU  16   0.630   8.674  -0.831
  108   2HG   GLU  16          2HG       GLU  16   1.302   7.557  -2.008
  109    H    LEU  17           H        LEU  17  -0.656   7.077  -2.089
  110    HA   LEU  17           HA       LEU  17  -3.463   7.925  -1.742
  111   1HB   LEU  17          1HB       LEU  17  -2.244   5.273  -2.179
  112   2HB   LEU  17          2HB       LEU  17  -3.504   5.325  -0.987
  113    HG   LEU  17           HG       LEU  17  -3.727   6.087  -3.876
  114   1HD1  LEU  17          1HD1      LEU  17  -3.778   3.727  -3.591
  115   2HD1  LEU  17          2HD1      LEU  17  -5.426   4.275  -3.902
  116   3HD1  LEU  17          3HD1      LEU  17  -4.929   3.862  -2.263
  117   1HD2  LEU  17          1HD2      LEU  17  -5.175   7.266  -1.833
  118   2HD2  LEU  17          2HD2      LEU  17  -6.244   6.010  -2.460
  119   3HD2  LEU  17          3HD2      LEU  17  -5.590   7.236  -3.547
  120    H    SER  18           H        SER  18  -3.978   6.098   0.515
  121    HA   SER  18           HA       SER  18  -2.051   6.728   2.553
  122   1HB   SER  18          1HB       SER  18  -4.756   7.654   3.294
  123   2HB   SER  18          2HB       SER  18  -3.179   8.338   3.687
  124    HG   SER  18           HG       SER  18  -4.484   8.565   1.172
  125    H    PHE  19           H        PHE  19  -2.554   5.579   4.551
  126    HA   PHE  19           HA       PHE  19  -4.868   3.898   4.726
  127   1HB   PHE  19          1HB       PHE  19  -3.676   1.723   4.614
  128   2HB   PHE  19          2HB       PHE  19  -3.681   2.583   3.078
  129    HD1  PHE  19           HD1      PHE  19  -1.545   2.271   6.136
  130    HD2  PHE  19           HD2      PHE  19  -1.737   2.643   1.901
  131    HE1  PHE  19           HE1      PHE  19   0.908   2.099   6.017
  132    HE2  PHE  19           HE2      PHE  19   0.709   2.466   1.783
  133    HZ   PHE  19           HZ       PHE  19   2.041   2.203   3.827
  134    H    ARG  20           H        ARG  20  -4.846   2.454   6.638
  135    HA   ARG  20           HA       ARG  20  -3.144   3.594   8.754
  136   1HB   ARG  20          1HB       ARG  20  -5.912   3.593   8.515
  137   2HB   ARG  20          2HB       ARG  20  -5.594   2.307   9.669
  138   1HG   ARG  20          1HG       ARG  20  -4.241   3.929  10.992
  139   2HG   ARG  20          2HG       ARG  20  -4.780   5.195   9.885
  140   1HD   ARG  20          1HD       ARG  20  -6.394   5.424  11.469
  141   2HD   ARG  20          2HD       ARG  20  -7.157   4.165  10.498
  142    HE   ARG  20           HE       ARG  20  -5.522   3.031  12.517
  143   1HH1  ARG  20          1HH1      ARG  20  -8.593   4.610  12.019
  144   2HH1  ARG  20          2HH1      ARG  20  -9.343   3.861  13.388
  145   1HH2  ARG  20          1HH2      ARG  20  -6.507   2.043  14.320
  146   2HH2  ARG  20          2HH2      ARG  20  -8.158   2.404  14.696
  147    H    LYS  21           H        LYS  21  -2.583   2.228  10.532
  148    HA   LYS  21           HA       LYS  21  -1.526  -0.273   9.879
  149   1HB   LYS  21          1HB       LYS  21  -0.495   0.052  11.816
  150   2HB   LYS  21          2HB       LYS  21  -1.492   1.473  12.077
  151   1HG   LYS  21          1HG       LYS  21  -2.585  -1.192  12.845
  152   2HG   LYS  21          2HG       LYS  21  -1.350  -0.445  13.857
  153   1HD   LYS  21          1HD       LYS  21  -2.906   1.661  13.657
  154   2HD   LYS  21          2HD       LYS  21  -4.136   0.454  13.282
  155   1HE   LYS  21          1HE       LYS  21  -4.398   0.183  15.477
  156   2HE   LYS  21          2HE       LYS  21  -2.811  -0.584  15.491
  157   1HZ   LYS  21          1HZ       LYS  21  -2.028   1.898  15.644
  158   2HZ   LYS  21          2HZ       LYS  21  -2.498   1.046  17.028
  159   3HZ   LYS  21          3HZ       LYS  21  -3.574   2.126  16.295
  160    H    GLY  22           H        GLY  22  -2.265  -2.278   9.882
  161   1HA   GLY  22          1HA       GLY  22  -3.594  -4.076  10.590
  162   2HA   GLY  22          2HA       GLY  22  -4.766  -2.939  11.232
  163    H    GLN  23           H        GLN  23  -4.419  -1.562   8.391
  164    HA   GLN  23           HA       GLN  23  -6.718  -2.900   7.306
  165   1HB   GLN  23          1HB       GLN  23  -5.977  -0.347   7.197
  166   2HB   GLN  23          2HB       GLN  23  -5.260  -0.884   5.686
  167   1HG   GLN  23          1HG       GLN  23  -7.382  -0.075   5.124
  168   2HG   GLN  23          2HG       GLN  23  -7.534  -1.831   5.103
  169   1HE2  GLN  23          1HE2      GLN  23  -9.025  -2.768   6.352
  170   2HE2  GLN  23          2HE2      GLN  23 -10.008  -1.946   7.510
  171    H    ILE  24           H        ILE  24  -6.925  -3.626   5.067
  172    HA   ILE  24           HA       ILE  24  -4.439  -4.900   4.155
  173    HB   ILE  24           HB       ILE  24  -7.288  -5.746   3.614
  174   1HG1  ILE  24          1HG1      ILE  24  -5.157  -7.027   5.343
  175   2HG1  ILE  24          2HG1      ILE  24  -6.506  -6.078   5.959
  176   1HG2  ILE  24          1HG2      ILE  24  -5.995  -7.866   2.850
  177   2HG2  ILE  24          2HG2      ILE  24  -4.632  -6.761   2.678
  178   3HG2  ILE  24          3HG2      ILE  24  -6.109  -6.487   1.756
  179   1HD1  ILE  24          1HD1      ILE  24  -6.817  -8.533   6.108
  180   2HD1  ILE  24          2HD1      ILE  24  -6.815  -8.593   4.345
  181   3HD1  ILE  24          3HD1      ILE  24  -8.077  -7.702   5.196
  182    H    LEU  25           H        LEU  25  -3.535  -3.757   2.630
  183    HA   LEU  25           HA       LEU  25  -5.138  -2.321   0.655
  184   1HB   LEU  25          1HB       LEU  25  -2.885  -1.419  -0.034
  185   2HB   LEU  25          2HB       LEU  25  -3.430  -0.991   1.575
  186    HG   LEU  25           HG       LEU  25  -1.916  -3.326   1.916
  187   1HD1  LEU  25          1HD1      LEU  25   0.199  -2.835   0.863
  188   2HD1  LEU  25          2HD1      LEU  25  -0.481  -1.391   0.110
  189   3HD1  LEU  25          3HD1      LEU  25  -1.061  -2.988  -0.362
  190   1HD2  LEU  25          1HD2      LEU  25  -1.931  -0.581   2.779
  191   2HD2  LEU  25          2HD2      LEU  25  -0.278  -1.143   2.530
  192   3HD2  LEU  25          3HD2      LEU  25  -1.352  -2.019   3.622
  193    H    LYS  26           H        LYS  26  -5.105  -2.824  -1.537
  194    HA   LYS  26           HA       LYS  26  -4.059  -5.457  -2.197
  195   1HB   LYS  26          1HB       LYS  26  -6.416  -4.674  -2.685
  196   2HB   LYS  26          2HB       LYS  26  -5.730  -3.639  -3.925
  197   1HG   LYS  26          1HG       LYS  26  -5.821  -5.313  -5.361
  198   2HG   LYS  26          2HG       LYS  26  -4.725  -6.250  -4.343
  199   1HD   LYS  26          1HD       LYS  26  -6.560  -7.640  -4.465
  200   2HD   LYS  26          2HD       LYS  26  -6.876  -6.766  -2.968
  201   1HE   LYS  26          1HE       LYS  26  -7.998  -5.912  -5.631
  202   2HE   LYS  26          2HE       LYS  26  -8.823  -7.047  -4.571
  203   1HZ   LYS  26          1HZ       LYS  26  -7.989  -4.453  -3.468
  204   2HZ   LYS  26          2HZ       LYS  26  -9.307  -5.428  -3.051
  205   3HZ   LYS  26          3HZ       LYS  26  -9.349  -4.507  -4.469
  206    H    ILE  27           H        ILE  27  -2.230  -5.749  -3.278
  207    HA   ILE  27           HA       ILE  27  -0.831  -3.492  -4.434
  208    HB   ILE  27           HB       ILE  27   0.164  -6.279  -4.773
  209   1HG1  ILE  27          1HG1      ILE  27  -0.642  -6.316  -2.476
  210   2HG1  ILE  27          2HG1      ILE  27   1.119  -6.217  -2.481
  211   1HG2  ILE  27          1HG2      ILE  27   1.254  -3.533  -4.498
  212   2HG2  ILE  27          2HG2      ILE  27   1.713  -4.829  -5.602
  213   3HG2  ILE  27          3HG2      ILE  27   2.247  -4.871  -3.922
  214   1HD1  ILE  27          1HD1      ILE  27   1.033  -3.862  -2.016
  215   2HD1  ILE  27          2HD1      ILE  27   0.071  -4.734  -0.823
  216   3HD1  ILE  27          3HD1      ILE  27  -0.729  -3.871  -2.135
  217    H    LEU  28           H        LEU  28  -0.621  -3.029  -6.495
  218    HA   LEU  28           HA       LEU  28  -1.594  -4.960  -8.514
  219   1HB   LEU  28          1HB       LEU  28  -1.915  -1.992  -8.796
  220   2HB   LEU  28          2HB       LEU  28  -2.668  -3.264  -9.742
  221    HG   LEU  28           HG       LEU  28  -3.463  -3.634  -7.043
  222   1HD1  LEU  28          1HD1      LEU  28  -2.933  -1.416  -6.486
  223   2HD1  LEU  28          2HD1      LEU  28  -4.663  -1.429  -6.803
  224   3HD1  LEU  28          3HD1      LEU  28  -3.558  -0.810  -8.017
  225   1HD2  LEU  28          1HD2      LEU  28  -5.439  -3.966  -8.029
  226   2HD2  LEU  28          2HD2      LEU  28  -4.587  -3.739  -9.556
  227   3HD2  LEU  28          3HD2      LEU  28  -5.421  -2.381  -8.801
  228    H    ASN  29           H        ASN  29   0.431  -2.185  -7.765
  229    HA   ASN  29           HA       ASN  29   2.443  -3.195  -9.596
  230   1HB   ASN  29          1HB       ASN  29   1.452  -1.887 -11.192
  231   2HB   ASN  29          2HB       ASN  29   0.917  -0.677 -10.031
  232   1HD2  ASN  29          1HD2      ASN  29   1.845   1.169 -10.365
  233   2HD2  ASN  29          2HD2      ASN  29   3.482   1.433 -10.837
  234    H    MET  30           H        MET  30   4.358  -3.060  -8.645
  235    HA   MET  30           HA       MET  30   4.659  -1.390  -6.275
  236   1HB   MET  30          1HB       MET  30   6.730  -2.692  -5.912
  237   2HB   MET  30          2HB       MET  30   5.299  -3.703  -6.032
  238   1HG   MET  30          1HG       MET  30   6.261  -3.556  -8.628
  239   2HG   MET  30          2HG       MET  30   7.707  -3.684  -7.629
  240   1HE   MET  30          1HE       MET  30   6.914  -6.940  -5.569
  241   2HE   MET  30          2HE       MET  30   6.961  -5.212  -5.225
  242   3HE   MET  30          3HE       MET  30   8.280  -5.970  -6.117
  243    H    GLU  31           H        GLU  31   5.034  -0.771  -9.388
  244    HA   GLU  31           HA       GLU  31   6.007   0.945 -10.457
  245   1HB   GLU  31          1HB       GLU  31   6.165   1.964  -8.128
  246   2HB   GLU  31          2HB       GLU  31   7.822   1.379  -8.094
  247   1HG   GLU  31          1HG       GLU  31   8.436   3.242  -9.097
  248   2HG   GLU  31          2HG       GLU  31   7.563   2.708 -10.532
  249    H    ASP  32           H        ASP  32   9.022   1.258  -9.509
  250    HA   ASP  32           HA       ASP  32   9.997  -0.839 -11.250
  251   1HB   ASP  32          1HB       ASP  32  11.020   1.943 -10.818
  252   2HB   ASP  32          2HB       ASP  32  12.138   0.681 -11.339
  253    H    ASP  33           H        ASP  33   9.515  -0.738  -8.189
  254    HA   ASP  33           HA       ASP  33  10.338  -2.127  -6.589
  255   1HB   ASP  33          1HB       ASP  33  11.814  -2.953  -8.853
  256   2HB   ASP  33          2HB       ASP  33  12.986  -2.722  -7.563
  257    H    SER  34           H        SER  34  10.332   0.100  -5.730
  258    HA   SER  34           HA       SER  34  12.938   0.689  -4.644
  259   1HB   SER  34          1HB       SER  34  11.838   2.170  -6.853
  260   2HB   SER  34          2HB       SER  34  12.044   3.241  -5.474
  261    HG   SER  34           HG       SER  34  14.213   1.670  -5.737
  262    H    ASN  35           H        ASN  35  11.833   3.429  -4.005
  263    HA   ASN  35           HA       ASN  35  10.841   2.690  -1.400
  264   1HB   ASN  35          1HB       ASN  35  11.798   5.183  -2.648
  265   2HB   ASN  35          2HB       ASN  35  10.721   5.336  -1.263
  266   1HD2  ASN  35          1HD2      ASN  35  11.766   5.566   0.557
  267   2HD2  ASN  35          2HD2      ASN  35  13.277   4.841   0.973
  268    H    TRP  36           H        TRP  36   9.232   3.898  -4.284
  269    HA   TRP  36           HA       TRP  36   6.831   4.270  -2.633
  270   1HB   TRP  36          1HB       TRP  36   7.430   5.316  -5.414
  271   2HB   TRP  36          2HB       TRP  36   5.938   5.601  -4.526
  272    HD1  TRP  36           HD1      TRP  36   9.012   7.322  -5.298
  273    HE1  TRP  36           HE1      TRP  36   9.549   9.159  -3.576
  274    HE3  TRP  36           HE3      TRP  36   5.780   5.929  -1.590
  275    HZ2  TRP  36           HZ2      TRP  36   8.708   9.909  -0.976
  276    HZ3  TRP  36           HZ3      TRP  36   5.705   7.266   0.469
  277    HH2  TRP  36           HH2      TRP  36   7.142   9.212   0.772
  278    H    TYR  37           H        TYR  37   5.109   2.971  -2.920
  279    HA   TYR  37           HA       TYR  37   5.150   0.947  -5.070
  280   1HB   TYR  37          1HB       TYR  37   4.384   0.883  -2.188
  281   2HB   TYR  37          2HB       TYR  37   3.459  -0.122  -3.289
  282    HD1  TYR  37           HD1      TYR  37   4.646  -1.522  -1.234
  283    HD2  TYR  37           HD2      TYR  37   6.534  -0.142  -4.788
  284    HE1  TYR  37           HE1      TYR  37   6.338  -3.288  -1.014
  285    HE2  TYR  37           HE2      TYR  37   8.228  -1.904  -4.578
  286    HH   TYR  37           HH       TYR  37   7.962  -4.526  -2.991
  287    H    ARG  38           H        ARG  38   2.828   0.062  -5.481
  288    HA   ARG  38           HA       ARG  38   0.871   2.251  -5.383
  289   1HB   ARG  38          1HB       ARG  38   2.139   1.784  -7.671
  290   2HB   ARG  38          2HB       ARG  38   0.909   0.537  -7.812
  291   1HG   ARG  38          1HG       ARG  38  -0.737   2.010  -8.178
  292   2HG   ARG  38          2HG       ARG  38  -0.089   3.185  -7.031
  293   1HD   ARG  38          1HD       ARG  38   1.749   3.565  -8.795
  294   2HD   ARG  38          2HD       ARG  38   0.654   2.734  -9.899
  295    HE   ARG  38           HE       ARG  38  -0.421   4.995  -8.411
  296   1HH1  ARG  38          1HH1      ARG  38   0.852   3.774 -11.434
  297   2HH1  ARG  38          2HH1      ARG  38   0.183   5.066 -12.373
  298   1HH2  ARG  38          1HH2      ARG  38  -1.284   6.694  -9.653
  299   2HH2  ARG  38          2HH2      ARG  38  -1.023   6.722 -11.365
  300    H    ALA  39           H        ALA  39  -1.027   1.652  -4.555
  301    HA   ALA  39           HA       ALA  39  -1.908  -1.130  -4.903
  302   1HB   ALA  39          1HB       ALA  39  -1.822  -1.638  -2.751
  303   2HB   ALA  39          2HB       ALA  39  -2.710  -0.179  -2.311
  304   3HB   ALA  39          3HB       ALA  39  -0.956  -0.125  -2.483
  305    H    GLU  40           H        GLU  40  -4.234  -1.349  -3.938
  306    HA   GLU  40           HA       GLU  40  -5.878   0.943  -4.819
  307   1HB   GLU  40          1HB       GLU  40  -5.871  -1.220  -6.268
  308   2HB   GLU  40          2HB       GLU  40  -6.798  -1.921  -4.955
  309   1HG   GLU  40          1HG       GLU  40  -8.153   0.397  -5.450
  310   2HG   GLU  40          2HG       GLU  40  -7.609  -0.079  -7.061
  311    H    LEU  41           H        LEU  41  -7.298   1.676  -3.372
  312    HA   LEU  41           HA       LEU  41  -8.249  -0.079  -1.252
  313   1HB   LEU  41          1HB       LEU  41  -6.177   1.409  -0.611
  314   2HB   LEU  41          2HB       LEU  41  -7.362   2.694  -0.544
  315    HG   LEU  41           HG       LEU  41  -7.665   2.146   1.592
  316   1HD1  LEU  41          1HD1      LEU  41  -9.021   0.106   2.092
  317   2HD1  LEU  41          2HD1      LEU  41  -8.891  -0.325   0.391
  318   3HD1  LEU  41          3HD1      LEU  41  -9.700   1.170   0.860
  319   1HD2  LEU  41          1HD2      LEU  41  -6.832  -0.531   1.972
  320   2HD2  LEU  41          2HD2      LEU  41  -6.020   0.953   2.470
  321   3HD2  LEU  41          3HD2      LEU  41  -5.668   0.242   0.895
  322    H    ASP  42           H        ASP  42 -10.383   0.182  -0.957
  323    HA   ASP  42           HA       ASP  42 -12.516   0.945  -1.241
  324   1HB   ASP  42          1HB       ASP  42 -11.188   3.663  -1.142
  325   2HB   ASP  42          2HB       ASP  42 -12.917   3.366  -0.988
  326    H    GLY  43           H        GLY  43 -11.056   0.228  -3.580
  327   1HA   GLY  43          1HA       GLY  43 -11.399   0.269  -5.860
  328   2HA   GLY  43          2HA       GLY  43 -12.754   1.348  -5.568
  329    H    LYS  44           H        LYS  44  -9.699   2.314  -4.328
  330    HA   LYS  44           HA       LYS  44  -9.385   4.263  -6.527
  331   1HB   LYS  44          1HB       LYS  44  -9.508   4.543  -3.607
  332   2HB   LYS  44          2HB       LYS  44  -8.130   5.358  -4.333
  333   1HG   LYS  44          1HG       LYS  44 -10.045   6.847  -4.108
  334   2HG   LYS  44          2HG       LYS  44  -9.612   6.602  -5.802
  335   1HD   LYS  44          1HD       LYS  44 -11.383   4.729  -5.745
  336   2HD   LYS  44          2HD       LYS  44 -11.954   5.521  -4.276
  337   1HE   LYS  44          1HE       LYS  44 -11.759   6.693  -7.043
  338   2HE   LYS  44          2HE       LYS  44 -13.224   6.357  -6.122
  339   1HZ   LYS  44          1HZ       LYS  44 -12.438   8.740  -6.186
  340   2HZ   LYS  44          2HZ       LYS  44 -11.174   8.267  -5.168
  341   3HZ   LYS  44          3HZ       LYS  44 -12.777   8.106  -4.654
  342    H    GLU  45           H        GLU  45  -7.320   4.573  -7.322
  343    HA   GLU  45           HA       GLU  45  -5.233   2.800  -6.238
  344   1HB   GLU  45          1HB       GLU  45  -5.873   2.396  -8.622
  345   2HB   GLU  45          2HB       GLU  45  -5.388   4.042  -8.998
  346   1HG   GLU  45          1HG       GLU  45  -3.317   3.368  -9.349
  347   2HG   GLU  45          2HG       GLU  45  -3.211   2.785  -7.692
  348    H    GLY  46           H        GLY  46  -3.124   3.546  -6.058
  349   1HA   GLY  46          1HA       GLY  46  -2.133   6.098  -6.495
  350   2HA   GLY  46          2HA       GLY  46  -2.906   6.135  -4.917
  351    H    LEU  47           H        LEU  47  -0.168   6.489  -5.453
  352    HA   LEU  47           HA       LEU  47   1.262   4.127  -4.826
  353   1HB   LEU  47          1HB       LEU  47   3.134   5.304  -5.234
  354   2HB   LEU  47          2HB       LEU  47   1.980   6.330  -6.056
  355    HG   LEU  47           HG       LEU  47   1.957   7.460  -3.619
  356   1HD1  LEU  47          1HD1      LEU  47   3.622   6.736  -2.349
  357   2HD1  LEU  47          2HD1      LEU  47   4.739   7.476  -3.502
  358   3HD1  LEU  47          3HD1      LEU  47   4.288   5.778  -3.669
  359   1HD2  LEU  47          1HD2      LEU  47   3.975   8.855  -4.748
  360   2HD2  LEU  47          2HD2      LEU  47   2.284   9.013  -5.222
  361   3HD2  LEU  47          3HD2      LEU  47   3.364   7.974  -6.150
  362    H    ILE  48           H        ILE  48   2.674   3.871  -3.011
  363    HA   ILE  48           HA       ILE  48   1.869   5.178  -0.502
  364    HB   ILE  48           HB       ILE  48   1.795   2.943   0.627
  365   1HG1  ILE  48          1HG1      ILE  48   1.357   1.742  -2.091
  366   2HG1  ILE  48          2HG1      ILE  48   2.978   1.855  -1.416
  367   1HG2  ILE  48          1HG2      ILE  48  -0.364   3.539   0.487
  368   2HG2  ILE  48          2HG2      ILE  48  -0.462   2.372  -0.837
  369   3HG2  ILE  48          3HG2      ILE  48  -0.195   4.082  -1.182
  370   1HD1  ILE  48          1HD1      ILE  48   1.038  -0.130  -0.970
  371   2HD1  ILE  48          2HD1      ILE  48   1.243   0.743   0.548
  372   3HD1  ILE  48          3HD1      ILE  48   2.640   0.015  -0.245
  373    HA   PRO  49           HA       PRO  49   6.189   4.768   0.213
  374   1HB   PRO  49          1HB       PRO  49   6.424   5.086   2.906
  375   2HB   PRO  49          2HB       PRO  49   5.924   6.416   1.863
  376   1HG   PRO  49          1HG       PRO  49   4.259   4.640   3.585
  377   2HG   PRO  49          2HG       PRO  49   4.072   6.368   3.253
  378   1HD   PRO  49          1HD       PRO  49   2.616   4.331   2.036
  379   2HD   PRO  49          2HD       PRO  49   2.818   5.967   1.391
  380    H    SER  50           H        SER  50   7.143   2.910  -0.069
  381    HA   SER  50           HA       SER  50   6.249   0.424   0.588
  382   1HB   SER  50          1HB       SER  50   8.459   1.508  -0.742
  383   2HB   SER  50          2HB       SER  50   9.126   0.385   0.445
  384    HG   SER  50           HG       SER  50   7.779  -0.128  -1.850
  385    H    ASN  51           H        ASN  51   8.366   2.331   2.578
  386    HA   ASN  51           HA       ASN  51   9.097   0.260   4.384
  387   1HB   ASN  51          1HB       ASN  51   9.926   2.814   3.956
  388   2HB   ASN  51          2HB       ASN  51   9.013   3.003   5.451
  389   1HD2  ASN  51          1HD2      ASN  51  11.702   3.460   5.385
  390   2HD2  ASN  51          2HD2      ASN  51  12.526   2.232   6.277
  391    H    TYR  52           H        TYR  52   6.124   1.938   4.049
  392    HA   TYR  52           HA       TYR  52   5.411   1.558   6.860
  393   1HB   TYR  52          1HB       TYR  52   4.446   3.208   4.651
  394   2HB   TYR  52          2HB       TYR  52   3.158   2.533   5.637
  395    HD1  TYR  52           HD1      TYR  52   4.839   2.561   8.254
  396    HD2  TYR  52           HD2      TYR  52   4.051   5.501   5.283
  397    HE1  TYR  52           HE1      TYR  52   5.152   4.330   9.929
  398    HE2  TYR  52           HE2      TYR  52   4.369   7.276   6.951
  399    HH   TYR  52           HH       TYR  52   5.838   7.245   9.427
  400    H    ILE  53           H        ILE  53   5.412  -0.568   4.371
  401    HA   ILE  53           HA       ILE  53   3.037  -1.899   5.478
  402    HB   ILE  53           HB       ILE  53   2.300  -2.671   3.318
  403   1HG1  ILE  53          1HG1      ILE  53   3.644  -1.067   1.458
  404   2HG1  ILE  53          2HG1      ILE  53   4.912  -1.727   2.487
  405   1HG2  ILE  53          1HG2      ILE  53   2.692   0.314   3.438
  406   2HG2  ILE  53          2HG2      ILE  53   1.334  -0.612   4.079
  407   3HG2  ILE  53          3HG2      ILE  53   1.585  -0.506   2.337
  408   1HD1  ILE  53          1HD1      ILE  53   3.958  -3.993   2.072
  409   2HD1  ILE  53          2HD1      ILE  53   4.613  -3.195   0.641
  410   3HD1  ILE  53          3HD1      ILE  53   2.869  -3.253   0.898
  411    H    GLU  54           H        GLU  54   2.939  -4.256   4.705
  412    HA   GLU  54           HA       GLU  54   5.570  -5.422   4.238
  413   1HB   GLU  54          1HB       GLU  54   5.645  -6.760   6.184
  414   2HB   GLU  54          2HB       GLU  54   5.252  -5.144   6.744
  415   1HG   GLU  54          1HG       GLU  54   2.829  -6.577   6.238
  416   2HG   GLU  54          2HG       GLU  54   3.889  -7.548   7.257
  417    H    MET  55           H        MET  55   5.462  -7.138   2.962
  418    HA   MET  55           HA       MET  55   3.200  -7.869   1.600
  419   1HB   MET  55          1HB       MET  55   5.770  -8.493   1.311
  420   2HB   MET  55          2HB       MET  55   5.235  -9.994   2.056
  421   1HG   MET  55          1HG       MET  55   4.308 -10.694   0.169
  422   2HG   MET  55          2HG       MET  55   3.427  -9.181  -0.033
  423   1HE   MET  55          1HE       MET  55   7.054 -10.943  -1.465
  424   2HE   MET  55          2HE       MET  55   6.892 -10.429   0.215
  425   3HE   MET  55          3HE       MET  55   7.824  -9.453  -0.920
  426    H    LYS  56           H        LYS  56   1.485  -9.090   1.955
  427    HA   LYS  56           HA       LYS  56   1.457 -10.749   4.383
  428   1HB   LYS  56          1HB       LYS  56   0.022  -8.740   4.494
  429   2HB   LYS  56          2HB       LYS  56  -0.864  -9.307   3.090
  430   1HG   LYS  56          1HG       LYS  56  -1.669 -11.221   4.320
  431   2HG   LYS  56          2HG       LYS  56  -0.686 -10.770   5.715
  432   1HD   LYS  56          1HD       LYS  56  -2.211  -8.500   5.047
  433   2HD   LYS  56          2HD       LYS  56  -3.312  -9.876   4.981
  434   1HE   LYS  56          1HE       LYS  56  -1.505  -9.204   7.303
  435   2HE   LYS  56          2HE       LYS  56  -3.226  -8.829   7.213
  436   1HZ   LYS  56          1HZ       LYS  56  -3.726 -11.167   7.117
  437   2HZ   LYS  56          2HZ       LYS  56  -2.761 -10.866   8.474
  438   3HZ   LYS  56          3HZ       LYS  56  -2.082 -11.567   7.092
  439    H    ASN  57           H        ASN  57  -1.253 -10.835   2.240
  440    HA   ASN  57           HA       ASN  57  -1.987 -12.345   0.690
  441   1HB   ASN  57          1HB       ASN  57   0.737 -13.631   0.954
  442   2HB   ASN  57          2HB       ASN  57  -0.501 -14.107  -0.195
  443   1HD2  ASN  57          1HD2      ASN  57   1.128 -13.734  -1.772
  444   2HD2  ASN  57          2HD2      ASN  57   1.430 -12.134  -2.347
  445    H    HIS  58           H        HIS  58   0.015 -14.020   3.196
  446    HA   HIS  58           HA       HIS  58  -2.067 -15.081   4.608
  447   1HB   HIS  58          1HB       HIS  58  -2.028 -16.302   2.090
  448   2HB   HIS  58          2HB       HIS  58  -1.264 -17.471   3.162
  449    HD1  HIS  58           HD1      HIS  58  -4.077 -17.940   1.891
  450    HD2  HIS  58           HD2      HIS  58  -3.398 -16.420   5.698
  451    HE1  HIS  58           HE1      HIS  58  -6.177 -18.417   3.191
  452    HE2  HIS  58           HE2      HIS  58  -5.786 -17.379   5.453
  453    H    ASP  59           H        ASP  59  -1.364 -17.240   5.721
  454    HA   ASP  59           HA       ASP  59   1.200 -16.646   6.897
  455   1HB   ASP  59          1HB       ASP  59  -1.160 -18.113   7.651
  456   2HB   ASP  59          2HB       ASP  59   0.268 -19.112   7.906
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1   0.636 -10.154  -3.242
    2   2H    MET   1          2H        MET   1   1.812  -9.235  -4.085
    3   3H    MET   1          3H        MET   1   1.095 -10.605  -4.824
    4    HA   MET   1           HA       MET   1   0.342  -8.161  -5.299
    5   1HB   MET   1          1HB       MET   1  -0.401 -10.318  -6.348
    6   2HB   MET   1          2HB       MET   1  -1.527 -10.533  -5.019
    7   1HG   MET   1          1HG       MET   1  -2.374  -8.160  -5.814
    8   2HG   MET   1          2HG       MET   1  -1.636  -8.670  -7.330
    9   1HE   MET   1          1HE       MET   1  -3.236 -10.433  -4.468
   10   2HE   MET   1          2HE       MET   1  -4.436 -11.506  -5.185
   11   3HE   MET   1          3HE       MET   1  -4.858  -9.836  -4.812
   12    H    GLU   2           H        GLU   2  -0.218  -9.413  -2.226
   13    HA   GLU   2           HA       GLU   2  -1.997  -7.139  -1.740
   14   1HB   GLU   2          1HB       GLU   2  -3.148  -8.413   0.044
   15   2HB   GLU   2          2HB       GLU   2  -3.377  -9.111  -1.549
   16   1HG   GLU   2          1HG       GLU   2  -1.256 -10.104   0.319
   17   2HG   GLU   2          2HG       GLU   2  -2.910 -10.707   0.367
   18    H    ALA   3           H        ALA   3  -1.624  -5.969   0.227
   19    HA   ALA   3           HA       ALA   3   0.593  -6.877   1.945
   20   1HB   ALA   3          1HB       ALA   3   0.560  -3.996   1.446
   21   2HB   ALA   3          2HB       ALA   3   1.003  -4.962   0.048
   22   3HB   ALA   3          3HB       ALA   3   1.917  -5.115   1.544
   23    H    ILE   4           H        ILE   4   0.607  -6.115   4.001
   24    HA   ILE   4           HA       ILE   4  -1.971  -4.974   4.931
   25    HB   ILE   4           HB       ILE   4  -1.318  -7.205   5.851
   26   1HG1  ILE   4          1HG1      ILE   4  -1.435  -5.157   8.036
   27   2HG1  ILE   4          2HG1      ILE   4  -2.827  -5.508   7.011
   28   1HG2  ILE   4          1HG2      ILE   4   0.505  -6.192   7.829
   29   2HG2  ILE   4          2HG2      ILE   4   1.147  -6.034   6.196
   30   3HG2  ILE   4          3HG2      ILE   4   0.641  -7.607   6.792
   31   1HD1  ILE   4          1HD1      ILE   4  -3.219  -7.486   8.002
   32   2HD1  ILE   4          2HD1      ILE   4  -2.310  -6.768   9.332
   33   3HD1  ILE   4          3HD1      ILE   4  -1.504  -7.848   8.194
   34    H    ALA   5           H        ALA   5  -2.052  -3.169   6.074
   35    HA   ALA   5           HA       ALA   5   0.185  -1.439   6.110
   36   1HB   ALA   5          1HB       ALA   5  -2.224  -0.964   7.793
   37   2HB   ALA   5          2HB       ALA   5  -2.362  -0.925   6.035
   38   3HB   ALA   5          3HB       ALA   5  -1.265   0.170   6.864
   39    H    LYS   6           H        LYS   6   1.830  -1.546   7.480
   40    HA   LYS   6           HA       LYS   6   1.478  -2.780  10.117
   41   1HB   LYS   6          1HB       LYS   6   3.466  -3.414   8.864
   42   2HB   LYS   6          2HB       LYS   6   3.949  -1.736   8.722
   43   1HG   LYS   6          1HG       LYS   6   5.251  -2.887  10.416
   44   2HG   LYS   6          2HG       LYS   6   4.267  -1.612  11.134
   45   1HD   LYS   6          1HD       LYS   6   2.550  -3.533  11.521
   46   2HD   LYS   6          2HD       LYS   6   3.956  -4.580  11.313
   47   1HE   LYS   6          1HE       LYS   6   5.113  -3.314  13.091
   48   2HE   LYS   6          2HE       LYS   6   3.650  -2.362  13.333
   49   1HZ   LYS   6          1HZ       LYS   6   2.503  -4.204  14.148
   50   2HZ   LYS   6          2HZ       LYS   6   4.028  -4.329  14.866
   51   3HZ   LYS   6          3HZ       LYS   6   3.633  -5.310  13.547
   52    H    HIS   7           H        HIS   7   1.525   0.280   8.681
   53    HA   HIS   7           HA       HIS   7   1.105   1.548  11.235
   54   1HB   HIS   7          1HB       HIS   7   3.462   2.317   9.502
   55   2HB   HIS   7          2HB       HIS   7   2.840   3.309  10.818
   56    HD1  HIS   7           HD1      HIS   7   2.778   1.919  13.228
   57    HD2  HIS   7           HD2      HIS   7   5.423   0.628  10.295
   58    HE1  HIS   7           HE1      HIS   7   4.477   0.508  14.431
   59    HE2  HIS   7           HE2      HIS   7   5.986  -0.369  12.615
   60    H    ASP   8           H        ASP   8   0.927   4.001  10.808
   61    HA   ASP   8           HA       ASP   8  -1.246   4.237   8.944
   62   1HB   ASP   8          1HB       ASP   8  -1.139   5.258  11.284
   63   2HB   ASP   8          2HB       ASP   8  -0.035   6.453  10.610
   64    H    PHE   9           H        PHE   9  -1.349   5.566   7.078
   65    HA   PHE   9           HA       PHE   9   1.166   6.869   6.368
   66   1HB   PHE   9          1HB       PHE   9   1.482   4.916   5.135
   67   2HB   PHE   9          2HB       PHE   9  -0.230   4.745   4.781
   68    HD1  PHE   9           HD1      PHE   9   2.330   7.416   4.174
   69    HD2  PHE   9           HD2      PHE   9  -0.673   4.880   2.559
   70    HE1  PHE   9           HE1      PHE   9   2.691   8.408   1.949
   71    HE2  PHE   9           HE2      PHE   9  -0.321   5.857   0.337
   72    HZ   PHE   9           HZ       PHE   9   1.366   7.621   0.024
   73    H    SER  10           H        SER  10   0.957   8.798   5.562
   74    HA   SER  10           HA       SER  10  -1.517   9.560   4.158
   75   1HB   SER  10          1HB       SER  10  -1.210  11.846   5.071
   76   2HB   SER  10          2HB       SER  10  -1.416  10.672   6.370
   77    HG   SER  10           HG       SER  10   0.429  12.340   6.361
   78    H    ALA  11           H        ALA  11  -1.285  10.285   2.203
   79    HA   ALA  11           HA       ALA  11   0.959   9.859   0.696
   80   1HB   ALA  11          1HB       ALA  11  -0.816  10.016  -0.648
   81   2HB   ALA  11          2HB       ALA  11  -0.315  11.702  -0.777
   82   3HB   ALA  11          3HB       ALA  11  -1.601  11.247   0.341
   83    H    THR  12           H        THR  12   2.652  10.918   0.070
   84    HA   THR  12           HA       THR  12   3.073  13.619   1.129
   85    HB   THR  12           HB       THR  12   4.958  11.292   0.677
   86    HG1  THR  12           HG1      THR  12   5.000  11.304   2.765
   87   1HG2  THR  12          1HG2      THR  12   5.661  14.130   0.493
   88   2HG2  THR  12          2HG2      THR  12   6.571  12.694   0.028
   89   3HG2  THR  12          3HG2      THR  12   6.572  13.236   1.705
   90    H    ALA  13           H        ALA  13   1.981  12.359  -1.497
   91    HA   ALA  13           HA       ALA  13   2.927  14.544  -3.144
   92   1HB   ALA  13          1HB       ALA  13   4.090  13.361  -4.668
   93   2HB   ALA  13          2HB       ALA  13   2.993  11.984  -4.579
   94   3HB   ALA  13          3HB       ALA  13   4.264  12.175  -3.373
   95    H    ASP  14           H        ASP  14   1.694  14.658  -5.141
   96    HA   ASP  14           HA       ASP  14  -1.047  14.566  -4.599
   97   1HB   ASP  14          1HB       ASP  14   0.326  14.925  -7.268
   98   2HB   ASP  14          2HB       ASP  14  -1.359  15.307  -6.929
   99    H    ASP  15           H        ASP  15   0.989  12.332  -6.284
  100    HA   ASP  15           HA       ASP  15  -1.277  10.835  -7.313
  101   1HB   ASP  15          1HB       ASP  15   1.282  11.346  -8.225
  102   2HB   ASP  15          2HB       ASP  15   1.348   9.661  -7.719
  103    H    GLU  16           H        GLU  16  -0.386  10.911  -4.359
  104    HA   GLU  16           HA       GLU  16   0.063   8.056  -3.908
  105   1HB   GLU  16          1HB       GLU  16   0.657  10.508  -2.300
  106   2HB   GLU  16          2HB       GLU  16   0.652   8.910  -1.568
  107   1HG   GLU  16          1HG       GLU  16   2.239   8.473  -3.708
  108   2HG   GLU  16          2HG       GLU  16   2.600  10.164  -3.373
  109    H    LEU  17           H        LEU  17  -0.919   7.158  -1.915
  110    HA   LEU  17           HA       LEU  17  -3.663   8.187  -1.573
  111   1HB   LEU  17          1HB       LEU  17  -2.827   5.656  -2.456
  112   2HB   LEU  17          2HB       LEU  17  -3.427   5.413  -0.831
  113    HG   LEU  17           HG       LEU  17  -5.056   6.936  -2.836
  114   1HD1  LEU  17          1HD1      LEU  17  -4.922   3.946  -2.506
  115   2HD1  LEU  17          2HD1      LEU  17  -4.518   4.873  -3.947
  116   3HD1  LEU  17          3HD1      LEU  17  -6.185   4.805  -3.381
  117   1HD2  LEU  17          1HD2      LEU  17  -6.914   6.062  -1.468
  118   2HD2  LEU  17          2HD2      LEU  17  -5.789   7.042  -0.527
  119   3HD2  LEU  17          3HD2      LEU  17  -5.742   5.282  -0.406
  120    H    SER  18           H        SER  18  -4.273   6.341   0.679
  121    HA   SER  18           HA       SER  18  -2.321   6.932   2.717
  122   1HB   SER  18          1HB       SER  18  -5.047   8.233   2.687
  123   2HB   SER  18          2HB       SER  18  -4.104   8.020   4.162
  124    HG   SER  18           HG       SER  18  -2.384   9.118   2.832
  125    H    PHE  19           H        PHE  19  -2.795   5.761   4.699
  126    HA   PHE  19           HA       PHE  19  -5.128   4.119   4.887
  127   1HB   PHE  19          1HB       PHE  19  -4.121   1.954   4.571
  128   2HB   PHE  19          2HB       PHE  19  -3.787   2.926   3.141
  129    HD1  PHE  19           HD1      PHE  19  -1.591   3.267   2.420
  130    HD2  PHE  19           HD2      PHE  19  -2.300   1.758   6.333
  131    HE1  PHE  19           HE1      PHE  19   0.821   2.847   2.703
  132    HE2  PHE  19           HE2      PHE  19   0.109   1.331   6.603
  133    HZ   PHE  19           HZ       PHE  19   1.668   1.878   4.788
  134    H    ARG  20           H        ARG  20  -5.056   2.633   6.764
  135    HA   ARG  20           HA       ARG  20  -3.307   3.723   8.875
  136   1HB   ARG  20          1HB       ARG  20  -6.192   3.345   8.708
  137   2HB   ARG  20          2HB       ARG  20  -5.511   2.588  10.140
  138   1HG   ARG  20          1HG       ARG  20  -5.199   4.544  11.149
  139   2HG   ARG  20          2HG       ARG  20  -4.483   5.270   9.709
  140   1HD   ARG  20          1HD       ARG  20  -6.645   6.302  10.559
  141   2HD   ARG  20          2HD       ARG  20  -6.582   5.889   8.850
  142    HE   ARG  20           HE       ARG  20  -7.944   4.251  10.891
  143   1HH1  ARG  20          1HH1      ARG  20  -7.744   5.522   7.635
  144   2HH1  ARG  20          2HH1      ARG  20  -9.210   4.761   7.124
  145   1HH2  ARG  20          1HH2      ARG  20  -9.869   3.261  10.205
  146   2HH2  ARG  20          2HH2      ARG  20 -10.414   3.482   8.576
  147    H    LYS  21           H        LYS  21  -2.708   2.323  10.595
  148    HA   LYS  21           HA       LYS  21  -1.676  -0.158   9.874
  149   1HB   LYS  21          1HB       LYS  21  -1.963  -0.420  12.590
  150   2HB   LYS  21          2HB       LYS  21  -0.599   0.314  11.766
  151   1HG   LYS  21          1HG       LYS  21  -1.224   1.795  13.484
  152   2HG   LYS  21          2HG       LYS  21  -1.795   2.523  11.986
  153   1HD   LYS  21          1HD       LYS  21  -3.864   0.850  12.980
  154   2HD   LYS  21          2HD       LYS  21  -3.275   1.829  14.322
  155   1HE   LYS  21          1HE       LYS  21  -4.110   2.933  11.641
  156   2HE   LYS  21          2HE       LYS  21  -5.151   2.866  13.061
  157   1HZ   LYS  21          1HZ       LYS  21  -2.551   4.294  12.977
  158   2HZ   LYS  21          2HZ       LYS  21  -3.696   4.336  14.222
  159   3HZ   LYS  21          3HZ       LYS  21  -4.050   5.037  12.723
  160    H    GLY  22           H        GLY  22  -2.400  -2.166   9.818
  161   1HA   GLY  22          1HA       GLY  22  -3.729  -3.994  10.461
  162   2HA   GLY  22          2HA       GLY  22  -4.900  -2.879  11.142
  163    H    GLN  23           H        GLN  23  -4.515  -1.423   8.342
  164    HA   GLN  23           HA       GLN  23  -6.834  -2.698   7.233
  165   1HB   GLN  23          1HB       GLN  23  -5.348  -0.211   6.712
  166   2HB   GLN  23          2HB       GLN  23  -6.121  -0.936   5.310
  167   1HG   GLN  23          1HG       GLN  23  -8.084  -1.057   7.232
  168   2HG   GLN  23          2HG       GLN  23  -7.291   0.483   7.558
  169   1HE2  GLN  23          1HE2      GLN  23  -9.689   0.907   6.875
  170   2HE2  GLN  23          2HE2      GLN  23  -9.892   1.338   5.215
  171    H    ILE  24           H        ILE  24  -7.052  -3.339   4.941
  172    HA   ILE  24           HA       ILE  24  -4.589  -4.674   4.050
  173    HB   ILE  24           HB       ILE  24  -6.392  -6.196   4.632
  174   1HG1  ILE  24          1HG1      ILE  24  -6.174  -6.258   1.635
  175   2HG1  ILE  24          2HG1      ILE  24  -4.771  -6.560   2.655
  176   1HG2  ILE  24          1HG2      ILE  24  -8.454  -5.349   4.319
  177   2HG2  ILE  24          2HG2      ILE  24  -8.310  -6.142   2.751
  178   3HG2  ILE  24          3HG2      ILE  24  -7.981  -4.419   2.901
  179   1HD1  ILE  24          1HD1      ILE  24  -6.513  -8.448   1.779
  180   2HD1  ILE  24          2HD1      ILE  24  -7.134  -8.107   3.395
  181   3HD1  ILE  24          3HD1      ILE  24  -5.458  -8.615   3.183
  182    H    LEU  25           H        LEU  25  -3.589  -3.683   2.476
  183    HA   LEU  25           HA       LEU  25  -5.070  -2.101   0.512
  184   1HB   LEU  25          1HB       LEU  25  -2.255  -2.227   1.471
  185   2HB   LEU  25          2HB       LEU  25  -2.536  -1.663  -0.165
  186    HG   LEU  25           HG       LEU  25  -4.292  -0.347   1.745
  187   1HD1  LEU  25          1HD1      LEU  25  -2.899   0.369   3.321
  188   2HD1  LEU  25          2HD1      LEU  25  -1.668   0.796   2.134
  189   3HD1  LEU  25          3HD1      LEU  25  -1.752  -0.848   2.760
  190   1HD2  LEU  25          1HD2      LEU  25  -2.381   0.422  -0.426
  191   2HD2  LEU  25          2HD2      LEU  25  -3.079   1.645   0.636
  192   3HD2  LEU  25          3HD2      LEU  25  -4.128   0.627  -0.349
  193    H    LYS  26           H        LYS  26  -5.085  -2.582  -1.688
  194    HA   LYS  26           HA       LYS  26  -4.177  -5.259  -2.420
  195   1HB   LYS  26          1HB       LYS  26  -6.500  -3.961  -2.935
  196   2HB   LYS  26          2HB       LYS  26  -5.604  -3.587  -4.401
  197   1HG   LYS  26          1HG       LYS  26  -6.735  -5.518  -4.958
  198   2HG   LYS  26          2HG       LYS  26  -5.142  -6.119  -4.494
  199   1HD   LYS  26          1HD       LYS  26  -6.061  -6.527  -2.201
  200   2HD   LYS  26          2HD       LYS  26  -7.658  -6.126  -2.836
  201   1HE   LYS  26          1HE       LYS  26  -7.849  -8.080  -3.952
  202   2HE   LYS  26          2HE       LYS  26  -6.138  -8.127  -4.370
  203   1HZ   LYS  26          1HZ       LYS  26  -5.598  -8.960  -2.236
  204   2HZ   LYS  26          2HZ       LYS  26  -6.891  -9.892  -2.801
  205   3HZ   LYS  26          3HZ       LYS  26  -7.161  -8.688  -1.645
  206    H    ILE  27           H        ILE  27  -2.236  -5.505  -3.392
  207    HA   ILE  27           HA       ILE  27  -0.949  -3.223  -4.652
  208    HB   ILE  27           HB       ILE  27   0.121  -6.030  -4.467
  209   1HG1  ILE  27          1HG1      ILE  27   0.730  -3.820  -2.514
  210   2HG1  ILE  27          2HG1      ILE  27  -0.559  -4.986  -2.227
  211   1HG2  ILE  27          1HG2      ILE  27   1.141  -4.267  -6.014
  212   2HG2  ILE  27          2HG2      ILE  27   2.221  -5.111  -4.903
  213   3HG2  ILE  27          3HG2      ILE  27   1.682  -3.472  -4.535
  214   1HD1  ILE  27          1HD1      ILE  27   1.498  -6.636  -2.815
  215   2HD1  ILE  27          2HD1      ILE  27   1.054  -6.136  -1.186
  216   3HD1  ILE  27          3HD1      ILE  27   2.347  -5.298  -2.041
  217    H    LEU  28           H        LEU  28  -0.965  -2.825  -6.719
  218    HA   LEU  28           HA       LEU  28  -1.900  -4.882  -8.630
  219   1HB   LEU  28          1HB       LEU  28  -2.083  -1.895  -8.564
  220   2HB   LEU  28          2HB       LEU  28  -2.232  -2.773 -10.075
  221    HG   LEU  28           HG       LEU  28  -3.949  -3.714  -7.856
  222   1HD1  LEU  28          1HD1      LEU  28  -4.318  -1.455  -7.414
  223   2HD1  LEU  28          2HD1      LEU  28  -5.615  -1.889  -8.528
  224   3HD1  LEU  28          3HD1      LEU  28  -4.203  -1.015  -9.116
  225   1HD2  LEU  28          1HD2      LEU  28  -5.217  -4.510  -9.536
  226   2HD2  LEU  28          2HD2      LEU  28  -3.760  -4.267 -10.500
  227   3HD2  LEU  28          3HD2      LEU  28  -5.034  -3.048 -10.505
  228    H    ASN  29           H        ASN  29   0.557  -2.488  -7.953
  229    HA   ASN  29           HA       ASN  29   2.405  -3.828  -9.754
  230   1HB   ASN  29          1HB       ASN  29   3.053  -1.385 -10.552
  231   2HB   ASN  29          2HB       ASN  29   1.914  -2.407 -11.415
  232   1HD2  ASN  29          1HD2      ASN  29   1.708   0.076 -12.023
  233   2HD2  ASN  29          2HD2      ASN  29   0.373   0.859 -11.257
  234    H    MET  30           H        MET  30   4.501  -3.634  -9.028
  235    HA   MET  30           HA       MET  30   4.894  -2.271  -6.486
  236   1HB   MET  30          1HB       MET  30   6.819  -3.590  -6.184
  237   2HB   MET  30          2HB       MET  30   5.656  -4.666  -6.940
  238   1HG   MET  30          1HG       MET  30   7.869  -3.231  -8.398
  239   2HG   MET  30          2HG       MET  30   7.963  -4.887  -7.813
  240   1HE   MET  30          1HE       MET  30   6.503  -6.770  -8.542
  241   2HE   MET  30          2HE       MET  30   7.745  -6.765  -9.792
  242   3HE   MET  30          3HE       MET  30   6.052  -6.975 -10.234
  243    H    GLU  31           H        GLU  31   5.094  -1.362  -9.592
  244    HA   GLU  31           HA       GLU  31   5.847   0.511 -10.560
  245   1HB   GLU  31          1HB       GLU  31   7.457   0.931  -8.039
  246   2HB   GLU  31          2HB       GLU  31   7.309   2.076  -9.362
  247   1HG   GLU  31          1HG       GLU  31   4.726   1.725  -8.860
  248   2HG   GLU  31          2HG       GLU  31   5.364   1.349  -7.261
  249    H    ASP  32           H        ASP  32   8.813   1.106  -9.642
  250    HA   ASP  32           HA       ASP  32   9.958  -0.810 -11.491
  251   1HB   ASP  32          1HB       ASP  32  11.957   0.873 -11.617
  252   2HB   ASP  32          2HB       ASP  32  10.491   1.167 -12.547
  253    H    ASP  33           H        ASP  33   9.549  -0.901  -8.469
  254    HA   ASP  33           HA       ASP  33  10.507  -2.257  -6.912
  255   1HB   ASP  33          1HB       ASP  33  12.665  -2.507  -9.011
  256   2HB   ASP  33          2HB       ASP  33  12.870  -3.184  -7.404
  257    H    SER  34           H        SER  34  10.398  -0.011  -6.010
  258    HA   SER  34           HA       SER  34  13.005   0.640  -4.949
  259   1HB   SER  34          1HB       SER  34  11.697   2.242  -7.005
  260   2HB   SER  34          2HB       SER  34  12.093   3.197  -5.583
  261    HG   SER  34           HG       SER  34  13.796   3.033  -7.188
  262    H    ASN  35           H        ASN  35  11.761   3.300  -4.201
  263    HA   ASN  35           HA       ASN  35  10.872   2.433  -1.583
  264   1HB   ASN  35          1HB       ASN  35  12.267   4.620  -2.484
  265   2HB   ASN  35          2HB       ASN  35  10.717   5.290  -1.986
  266   1HD2  ASN  35          1HD2      ASN  35  13.723   4.165  -0.983
  267   2HD2  ASN  35          2HD2      ASN  35  13.438   4.165   0.721
  268    H    TRP  36           H        TRP  36   9.192   3.763  -4.383
  269    HA   TRP  36           HA       TRP  36   6.800   3.950  -2.685
  270   1HB   TRP  36          1HB       TRP  36   7.325   5.169  -5.413
  271   2HB   TRP  36          2HB       TRP  36   5.832   5.348  -4.493
  272    HD1  TRP  36           HD1      TRP  36   8.920   7.154  -5.158
  273    HE1  TRP  36           HE1      TRP  36   9.370   8.949  -3.368
  274    HE3  TRP  36           HE3      TRP  36   5.575   5.619  -1.610
  275    HZ2  TRP  36           HZ2      TRP  36   8.430   9.623  -0.790
  276    HZ3  TRP  36           HZ3      TRP  36   5.409   6.895   0.484
  277    HH2  TRP  36           HH2      TRP  36   6.809   8.854   0.888
  278    H    TYR  37           H        TYR  37   5.112   2.559  -3.080
  279    HA   TYR  37           HA       TYR  37   5.314   0.785  -5.428
  280   1HB   TYR  37          1HB       TYR  37   4.615   0.288  -2.584
  281   2HB   TYR  37          2HB       TYR  37   3.690  -0.599  -3.788
  282    HD1  TYR  37           HD1      TYR  37   7.177   0.274  -4.476
  283    HD2  TYR  37           HD2      TYR  37   4.562  -2.719  -2.955
  284    HE1  TYR  37           HE1      TYR  37   8.987  -1.380  -4.636
  285    HE2  TYR  37           HE2      TYR  37   6.366  -4.383  -3.110
  286    HH   TYR  37           HH       TYR  37   8.524  -4.732  -3.569
  287    H    ARG  38           H        ARG  38   3.249   0.072  -6.359
  288    HA   ARG  38           HA       ARG  38   1.201   2.148  -6.017
  289   1HB   ARG  38          1HB       ARG  38   2.402   1.914  -8.246
  290   2HB   ARG  38          2HB       ARG  38   1.558   0.392  -8.433
  291   1HG   ARG  38          1HG       ARG  38  -0.094   1.516  -9.384
  292   2HG   ARG  38          2HG       ARG  38  -0.435   2.227  -7.806
  293   1HD   ARG  38          1HD       ARG  38   0.129   4.224  -8.595
  294   2HD   ARG  38          2HD       ARG  38   1.757   3.634  -8.911
  295    HE   ARG  38           HE       ARG  38   0.899   2.925 -11.130
  296   1HH1  ARG  38          1HH1      ARG  38  -0.767   5.455  -9.378
  297   2HH1  ARG  38          2HH1      ARG  38  -1.409   6.185 -10.809
  298   1HH2  ARG  38          1HH2      ARG  38   0.056   3.900 -13.002
  299   2HH2  ARG  38          2HH2      ARG  38  -0.943   5.308 -12.860
  300    H    ALA  39           H        ALA  39  -0.652   1.604  -5.128
  301    HA   ALA  39           HA       ALA  39  -1.749  -1.063  -5.591
  302   1HB   ALA  39          1HB       ALA  39  -0.332  -0.848  -3.396
  303   2HB   ALA  39          2HB       ALA  39  -1.850  -1.738  -3.400
  304   3HB   ALA  39          3HB       ALA  39  -1.798  -0.092  -2.776
  305    H    GLU  40           H        GLU  40  -3.954  -1.219  -4.368
  306    HA   GLU  40           HA       GLU  40  -5.438   1.296  -4.780
  307   1HB   GLU  40          1HB       GLU  40  -5.846  -0.544  -6.489
  308   2HB   GLU  40          2HB       GLU  40  -6.548  -1.483  -5.177
  309   1HG   GLU  40          1HG       GLU  40  -8.284   0.129  -4.861
  310   2HG   GLU  40          2HG       GLU  40  -7.525   1.235  -6.003
  311    H    LEU  41           H        LEU  41  -7.102   1.775  -3.307
  312    HA   LEU  41           HA       LEU  41  -7.702  -0.100  -1.171
  313   1HB   LEU  41          1HB       LEU  41  -5.692   1.416  -0.552
  314   2HB   LEU  41          2HB       LEU  41  -6.881   2.695  -0.434
  315    HG   LEU  41           HG       LEU  41  -7.196   0.145   1.126
  316   1HD1  LEU  41          1HD1      LEU  41  -4.961   1.545   1.460
  317   2HD1  LEU  41          2HD1      LEU  41  -5.831   0.824   2.811
  318   3HD1  LEU  41          3HD1      LEU  41  -6.037   2.535   2.439
  319   1HD2  LEU  41          1HD2      LEU  41  -9.171   1.421   1.118
  320   2HD2  LEU  41          2HD2      LEU  41  -8.287   2.937   1.308
  321   3HD2  LEU  41          3HD2      LEU  41  -8.382   1.798   2.650
  322    H    ASP  42           H        ASP  42  -9.770   0.002  -0.649
  323    HA   ASP  42           HA       ASP  42 -11.973   0.536  -0.765
  324   1HB   ASP  42          1HB       ASP  42 -10.777   2.514   0.620
  325   2HB   ASP  42          2HB       ASP  42 -11.485   3.451  -0.692
  326    H    GLY  43           H        GLY  43 -10.654   0.278  -3.295
  327   1HA   GLY  43          1HA       GLY  43 -11.400   0.448  -5.491
  328   2HA   GLY  43          2HA       GLY  43 -12.651   1.552  -4.943
  329    H    LYS  44           H        LYS  44  -9.564   2.451  -3.899
  330    HA   LYS  44           HA       LYS  44  -9.331   4.419  -6.087
  331   1HB   LYS  44          1HB       LYS  44  -9.961   5.447  -3.950
  332   2HB   LYS  44          2HB       LYS  44  -8.607   4.661  -3.155
  333   1HG   LYS  44          1HG       LYS  44  -8.304   7.096  -3.695
  334   2HG   LYS  44          2HG       LYS  44  -7.033   6.024  -4.272
  335   1HD   LYS  44          1HD       LYS  44  -7.305   6.978  -6.267
  336   2HD   LYS  44          2HD       LYS  44  -8.832   6.105  -6.375
  337   1HE   LYS  44          1HE       LYS  44  -9.657   8.193  -4.939
  338   2HE   LYS  44          2HE       LYS  44  -8.309   8.959  -5.780
  339   1HZ   LYS  44          1HZ       LYS  44 -10.621   8.992  -6.860
  340   2HZ   LYS  44          2HZ       LYS  44 -10.301   7.384  -7.275
  341   3HZ   LYS  44          3HZ       LYS  44  -9.285   8.618  -7.829
  342    H    GLU  45           H        GLU  45  -7.266   4.678  -6.986
  343    HA   GLU  45           HA       GLU  45  -5.238   2.788  -6.007
  344   1HB   GLU  45          1HB       GLU  45  -6.008   2.506  -8.390
  345   2HB   GLU  45          2HB       GLU  45  -5.350   4.097  -8.738
  346   1HG   GLU  45          1HG       GLU  45  -3.152   3.378  -8.462
  347   2HG   GLU  45          2HG       GLU  45  -3.643   1.920  -7.599
  348    H    GLY  46           H        GLY  46  -3.030   3.456  -6.021
  349   1HA   GLY  46          1HA       GLY  46  -2.193   6.120  -6.248
  350   2HA   GLY  46          2HA       GLY  46  -2.743   5.840  -4.604
  351    H    LEU  47           H        LEU  47  -0.404   6.550  -4.519
  352    HA   LEU  47           HA       LEU  47   1.429   4.265  -4.655
  353   1HB   LEU  47          1HB       LEU  47   1.763   7.210  -4.857
  354   2HB   LEU  47          2HB       LEU  47   3.074   6.304  -4.128
  355    HG   LEU  47           HG       LEU  47   3.232   4.933  -6.188
  356   1HD1  LEU  47          1HD1      LEU  47   0.908   5.185  -6.926
  357   2HD1  LEU  47          2HD1      LEU  47   2.050   5.639  -8.192
  358   3HD1  LEU  47          3HD1      LEU  47   1.210   6.887  -7.273
  359   1HD2  LEU  47          1HD2      LEU  47   4.362   6.574  -7.489
  360   2HD2  LEU  47          2HD2      LEU  47   4.567   7.026  -5.797
  361   3HD2  LEU  47          3HD2      LEU  47   3.393   7.876  -6.801
  362    H    ILE  48           H        ILE  48   2.566   3.610  -2.856
  363    HA   ILE  48           HA       ILE  48   1.890   4.885  -0.285
  364    HB   ILE  48           HB       ILE  48   2.271   2.316   0.497
  365   1HG1  ILE  48          1HG1      ILE  48   0.399   1.370  -1.353
  366   2HG1  ILE  48          2HG1      ILE  48   1.628   2.148  -2.337
  367   1HG2  ILE  48          1HG2      ILE  48   0.351   2.896   1.415
  368   2HG2  ILE  48          2HG2      ILE  48  -0.467   2.450  -0.068
  369   3HG2  ILE  48          3HG2      ILE  48   0.061   4.107   0.185
  370   1HD1  ILE  48          1HD1      ILE  48   2.481   0.048  -2.201
  371   2HD1  ILE  48          2HD1      ILE  48   1.812  -0.235  -0.592
  372   3HD1  ILE  48          3HD1      ILE  48   3.246   0.773  -0.787
  373    HA   PRO  49           HA       PRO  49   6.218   4.723   0.300
  374   1HB   PRO  49          1HB       PRO  49   6.487   4.948   3.013
  375   2HB   PRO  49          2HB       PRO  49   5.907   6.288   2.021
  376   1HG   PRO  49          1HG       PRO  49   4.366   4.384   3.718
  377   2HG   PRO  49          2HG       PRO  49   4.085   6.108   3.426
  378   1HD   PRO  49          1HD       PRO  49   2.714   4.027   2.190
  379   2HD   PRO  49          2HD       PRO  49   2.815   5.680   1.580
  380    H    SER  50           H        SER  50   7.367   2.955  -0.039
  381    HA   SER  50           HA       SER  50   6.731   0.366   0.625
  382   1HB   SER  50          1HB       SER  50   8.913  -0.247  -0.171
  383   2HB   SER  50          2HB       SER  50   8.294   1.077  -1.156
  384    HG   SER  50           HG       SER  50  10.363   1.075   0.733
  385    H    ASN  51           H        ASN  51   7.183   2.248   2.968
  386    HA   ASN  51           HA       ASN  51   8.809   0.395   4.584
  387   1HB   ASN  51          1HB       ASN  51   9.219   3.162   4.255
  388   2HB   ASN  51          2HB       ASN  51   8.580   2.957   5.884
  389   1HD2  ASN  51          1HD2      ASN  51  11.285   3.637   4.792
  390   2HD2  ASN  51          2HD2      ASN  51  12.359   2.529   5.570
  391    H    TYR  52           H        TYR  52   5.788   1.958   4.244
  392    HA   TYR  52           HA       TYR  52   4.971   1.292   6.969
  393   1HB   TYR  52          1HB       TYR  52   3.595   2.873   4.802
  394   2HB   TYR  52          2HB       TYR  52   2.925   2.571   6.402
  395    HD1  TYR  52           HD1      TYR  52   6.202   3.766   5.015
  396    HD2  TYR  52           HD2      TYR  52   3.080   4.343   7.845
  397    HE1  TYR  52           HE1      TYR  52   7.359   5.759   5.877
  398    HE2  TYR  52           HE2      TYR  52   4.224   6.337   8.712
  399    HH   TYR  52           HH       TYR  52   7.004   7.057   8.616
  400    H    ILE  53           H        ILE  53   5.162  -0.553   4.295
  401    HA   ILE  53           HA       ILE  53   2.626  -1.880   4.953
  402    HB   ILE  53           HB       ILE  53   1.904  -2.085   2.823
  403   1HG1  ILE  53          1HG1      ILE  53   3.861  -3.410   2.045
  404   2HG1  ILE  53          2HG1      ILE  53   3.259  -2.304   0.817
  405   1HG2  ILE  53          1HG2      ILE  53   3.722   0.301   2.556
  406   2HG2  ILE  53          2HG2      ILE  53   2.074   0.292   3.182
  407   3HG2  ILE  53          3HG2      ILE  53   2.374  -0.075   1.483
  408   1HD1  ILE  53          1HD1      ILE  53   5.315  -1.048   2.379
  409   2HD1  ILE  53          2HD1      ILE  53   5.236  -1.336   0.641
  410   3HD1  ILE  53          3HD1      ILE  53   5.875  -2.581   1.714
  411    H    GLU  54           H        GLU  54   2.674  -3.978   5.279
  412    HA   GLU  54           HA       GLU  54   5.256  -5.332   5.225
  413   1HB   GLU  54          1HB       GLU  54   2.596  -6.174   6.352
  414   2HB   GLU  54          2HB       GLU  54   4.053  -7.137   6.451
  415   1HG   GLU  54          1HG       GLU  54   4.840  -4.714   7.472
  416   2HG   GLU  54          2HG       GLU  54   3.184  -4.880   8.054
  417    H    MET  55           H        MET  55   5.567  -7.384   4.239
  418    HA   MET  55           HA       MET  55   4.119  -7.655   1.744
  419   1HB   MET  55          1HB       MET  55   6.710  -7.901   2.260
  420   2HB   MET  55          2HB       MET  55   6.251  -9.573   2.549
  421   1HG   MET  55          1HG       MET  55   7.025  -9.234   0.269
  422   2HG   MET  55          2HG       MET  55   5.337  -9.735   0.310
  423   1HE   MET  55          1HE       MET  55   4.772  -8.689  -2.347
  424   2HE   MET  55          2HE       MET  55   6.518  -8.850  -2.162
  425   3HE   MET  55          3HE       MET  55   5.835  -7.360  -2.814
  426    H    LYS  56           H        LYS  56   2.522  -8.280   4.010
  427    HA   LYS  56           HA       LYS  56   1.385 -10.702   3.198
  428   1HB   LYS  56          1HB       LYS  56   1.860 -12.067   5.257
  429   2HB   LYS  56          2HB       LYS  56   3.222 -11.873   4.163
  430   1HG   LYS  56          1HG       LYS  56   4.460 -10.871   5.719
  431   2HG   LYS  56          2HG       LYS  56   3.139  -9.805   6.203
  432   1HD   LYS  56          1HD       LYS  56   2.991 -12.670   6.995
  433   2HD   LYS  56          2HD       LYS  56   4.139 -11.635   7.846
  434   1HE   LYS  56          1HE       LYS  56   1.615 -10.297   7.607
  435   2HE   LYS  56          2HE       LYS  56   1.372 -11.894   8.298
  436   1HZ   LYS  56          1HZ       LYS  56   3.548 -10.919   9.620
  437   2HZ   LYS  56          2HZ       LYS  56   1.966 -10.966  10.214
  438   3HZ   LYS  56          3HZ       LYS  56   2.546  -9.564   9.468
  439    H    ASN  57           H        ASN  57  -0.689  -9.942   3.508
  440    HA   ASN  57           HA       ASN  57  -1.252  -8.516   5.977
  441   1HB   ASN  57          1HB       ASN  57  -3.564  -8.240   4.846
  442   2HB   ASN  57          2HB       ASN  57  -2.192  -7.345   4.201
  443   1HD2  ASN  57          1HD2      ASN  57  -3.692 -10.532   3.845
  444   2HD2  ASN  57          2HD2      ASN  57  -3.597 -10.574   2.123
  445    H    HIS  58           H        HIS  58  -0.889 -10.574   7.174
  446    HA   HIS  58           HA       HIS  58  -2.783 -12.709   7.083
  447   1HB   HIS  58          1HB       HIS  58  -0.591 -11.769   8.849
  448   2HB   HIS  58          2HB       HIS  58  -1.840 -12.742   9.617
  449    HD1  HIS  58           HD1      HIS  58   1.181 -13.618   9.096
  450    HD2  HIS  58           HD2      HIS  58  -2.150 -14.747   6.885
  451    HE1  HIS  58           HE1      HIS  58   1.822 -15.772   7.968
  452    HE2  HIS  58           HE2      HIS  58  -0.205 -16.429   6.623
  453    H    ASP  59           H        ASP  59  -4.789 -12.765   7.943
  454    HA   ASP  59           HA       ASP  59  -5.489 -11.203  10.242
  455   1HB   ASP  59          1HB       ASP  59  -7.381 -10.009   9.172
  456   2HB   ASP  59          2HB       ASP  59  -5.811  -9.476   8.578
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1   0.009 -11.383  -3.517
    2   2H    MET   1          2H        MET   1   1.041 -10.090  -3.052
    3   3H    MET   1          3H        MET   1   1.227 -10.828  -4.589
    4    HA   MET   1           HA       MET   1   0.146  -8.844  -4.964
    5   1HB   MET   1          1HB       MET   1  -1.398 -11.383  -5.029
    6   2HB   MET   1          2HB       MET   1  -2.354  -9.921  -5.228
    7   1HG   MET   1          1HG       MET   1  -0.470  -9.364  -6.997
    8   2HG   MET   1          2HG       MET   1  -0.321 -11.120  -7.021
    9   1HE   MET   1          1HE       MET   1  -2.528 -12.762  -7.657
   10   2HE   MET   1          2HE       MET   1  -4.130 -12.040  -7.791
   11   3HE   MET   1          3HE       MET   1  -3.237 -11.927  -6.275
   12    H    GLU   2           H        GLU   2  -0.393  -9.984  -1.907
   13    HA   GLU   2           HA       GLU   2  -2.233  -7.750  -1.413
   14   1HB   GLU   2          1HB       GLU   2  -2.123 -10.311   0.188
   15   2HB   GLU   2          2HB       GLU   2  -3.196  -8.947   0.481
   16   1HG   GLU   2          1HG       GLU   2  -4.040  -9.348  -1.895
   17   2HG   GLU   2          2HG       GLU   2  -3.232 -10.907  -1.779
   18    H    ALA   3           H        ALA   3  -1.903  -6.548   0.521
   19    HA   ALA   3           HA       ALA   3   0.412  -7.175   2.165
   20   1HB   ALA   3          1HB       ALA   3   1.208  -4.790   1.923
   21   2HB   ALA   3          2HB       ALA   3   0.180  -4.700   0.493
   22   3HB   ALA   3          3HB       ALA   3   1.505  -5.858   0.555
   23    H    ILE   4           H        ILE   4   0.637  -5.593   3.957
   24    HA   ILE   4           HA       ILE   4  -1.922  -4.388   4.749
   25    HB   ILE   4           HB       ILE   4  -0.339  -5.992   6.737
   26   1HG1  ILE   4          1HG1      ILE   4  -2.397  -6.892   4.758
   27   2HG1  ILE   4          2HG1      ILE   4  -0.925  -7.696   5.277
   28   1HG2  ILE   4          1HG2      ILE   4  -3.223  -5.119   6.718
   29   2HG2  ILE   4          2HG2      ILE   4  -1.919  -4.250   7.527
   30   3HG2  ILE   4          3HG2      ILE   4  -2.352  -5.879   8.048
   31   1HD1  ILE   4          1HD1      ILE   4  -3.476  -8.333   6.049
   32   2HD1  ILE   4          2HD1      ILE   4  -2.873  -7.411   7.423
   33   3HD1  ILE   4          3HD1      ILE   4  -1.995  -8.832   6.866
   34    H    ALA   5           H        ALA   5  -1.795  -2.567   5.936
   35    HA   ALA   5           HA       ALA   5   0.684  -1.175   6.028
   36   1HB   ALA   5          1HB       ALA   5  -1.533  -0.117   5.683
   37   2HB   ALA   5          2HB       ALA   5  -0.576   0.634   6.959
   38   3HB   ALA   5          3HB       ALA   5  -1.908  -0.445   7.374
   39    H    LYS   6           H        LYS   6   2.213  -1.364   7.513
   40    HA   LYS   6           HA       LYS   6   1.612  -2.592  10.113
   41   1HB   LYS   6          1HB       LYS   6   4.016  -2.586  10.493
   42   2HB   LYS   6          2HB       LYS   6   3.664  -3.274   8.918
   43   1HG   LYS   6          1HG       LYS   6   5.370  -1.928   8.310
   44   2HG   LYS   6          2HG       LYS   6   4.063  -0.752   8.167
   45   1HD   LYS   6          1HD       LYS   6   5.229   0.529   9.567
   46   2HD   LYS   6          2HD       LYS   6   4.793  -0.617  10.836
   47   1HE   LYS   6          1HE       LYS   6   7.196  -1.038   9.087
   48   2HE   LYS   6          2HE       LYS   6   7.271  -0.023  10.526
   49   1HZ   LYS   6          1HZ       LYS   6   7.773  -1.942  11.532
   50   2HZ   LYS   6          2HZ       LYS   6   7.113  -2.901  10.306
   51   3HZ   LYS   6          3HZ       LYS   6   6.106  -2.231  11.488
   52    H    HIS   7           H        HIS   7   2.191   0.524   8.731
   53    HA   HIS   7           HA       HIS   7   1.438   1.754  11.231
   54   1HB   HIS   7          1HB       HIS   7   3.553   2.195  11.842
   55   2HB   HIS   7          2HB       HIS   7   4.187   1.686  10.290
   56    HD1  HIS   7           HD1      HIS   7   2.045   4.707  11.078
   57    HD2  HIS   7           HD2      HIS   7   5.797   3.725   9.604
   58    HE1  HIS   7           HE1      HIS   7   3.061   6.868  10.346
   59    HE2  HIS   7           HE2      HIS   7   5.390   6.276   9.589
   60    H    ASP   8           H        ASP   8   0.218   3.461  10.897
   61    HA   ASP   8           HA       ASP   8  -1.162   4.092   8.701
   62   1HB   ASP   8          1HB       ASP   8  -0.913   6.614   9.666
   63   2HB   ASP   8          2HB       ASP   8  -1.972   5.388  10.349
   64    H    PHE   9           H        PHE   9  -1.116   5.423   6.926
   65    HA   PHE   9           HA       PHE   9   1.410   6.738   6.331
   66   1HB   PHE   9          1HB       PHE   9   2.031   5.362   4.693
   67   2HB   PHE   9          2HB       PHE   9   0.742   4.279   5.174
   68    HD1  PHE   9           HD1      PHE   9   1.329   7.274   3.015
   69    HD2  PHE   9           HD2      PHE   9  -0.773   3.627   3.614
   70    HE1  PHE   9           HE1      PHE   9   0.385   7.453   0.751
   71    HE2  PHE   9           HE2      PHE   9  -1.725   3.797   1.357
   72    HZ   PHE   9           HZ       PHE   9  -1.138   5.706  -0.083
   73    H    SER  10           H        SER  10   1.175   8.662   5.537
   74    HA   SER  10           HA       SER  10  -1.272   9.370   4.051
   75   1HB   SER  10          1HB       SER  10  -1.401  11.448   5.128
   76   2HB   SER  10          2HB       SER  10  -0.859  10.411   6.446
   77    HG   SER  10           HG       SER  10   1.324  11.079   5.818
   78    H    ALA  11           H        ALA  11  -1.010  10.032   2.105
   79    HA   ALA  11           HA       ALA  11   1.303   9.757   0.658
   80   1HB   ALA  11          1HB       ALA  11  -0.566   9.748  -0.624
   81   2HB   ALA  11          2HB       ALA  11   0.012  11.382  -0.937
   82   3HB   ALA  11          3HB       ALA  11  -1.298  11.116   0.214
   83    H    THR  12           H        THR  12   2.922  10.941   0.055
   84    HA   THR  12           HA       THR  12   3.120  13.673   1.101
   85    HB   THR  12           HB       THR  12   5.057  11.410   0.894
   86    HG1  THR  12           HG1      THR  12   4.491  13.497   2.712
   87   1HG2  THR  12          1HG2      THR  12   5.882  14.259   0.445
   88   2HG2  THR  12          2HG2      THR  12   6.392  12.800  -0.405
   89   3HG2  THR  12          3HG2      THR  12   6.944  13.101   1.243
   90    H    ALA  13           H        ALA  13   2.177  12.310  -1.532
   91    HA   ALA  13           HA       ALA  13   2.949  14.552  -3.192
   92   1HB   ALA  13          1HB       ALA  13   3.635  11.703  -3.894
   93   2HB   ALA  13          2HB       ALA  13   4.745  13.058  -3.728
   94   3HB   ALA  13          3HB       ALA  13   3.595  13.015  -5.063
   95    H    ASP  14           H        ASP  14   1.734  14.532  -5.202
   96    HA   ASP  14           HA       ASP  14  -0.993  14.192  -4.699
   97   1HB   ASP  14          1HB       ASP  14   0.446  14.719  -7.300
   98   2HB   ASP  14          2HB       ASP  14  -1.300  14.830  -7.094
   99    H    ASP  15           H        ASP  15   1.258  12.101  -6.318
  100    HA   ASP  15           HA       ASP  15  -0.872  10.497  -7.433
  101   1HB   ASP  15          1HB       ASP  15   1.052   9.162  -8.367
  102   2HB   ASP  15          2HB       ASP  15   0.962  10.845  -8.877
  103    H    GLU  16           H        GLU  16  -0.149  10.608  -4.445
  104    HA   GLU  16           HA       GLU  16   0.164   7.719  -3.967
  105   1HB   GLU  16          1HB       GLU  16   1.008  10.133  -2.407
  106   2HB   GLU  16          2HB       GLU  16   0.757   8.588  -1.604
  107   1HG   GLU  16          1HG       GLU  16   2.637   7.704  -2.426
  108   2HG   GLU  16          2HG       GLU  16   2.412   8.443  -4.008
  109    H    LEU  17           H        LEU  17  -0.905   6.961  -1.950
  110    HA   LEU  17           HA       LEU  17  -3.568   8.211  -1.736
  111   1HB   LEU  17          1HB       LEU  17  -3.066   5.703  -2.607
  112   2HB   LEU  17          2HB       LEU  17  -3.309   5.393  -0.901
  113    HG   LEU  17           HG       LEU  17  -5.369   7.135  -2.026
  114   1HD1  LEU  17          1HD1      LEU  17  -4.948   5.796  -4.029
  115   2HD1  LEU  17          2HD1      LEU  17  -6.509   5.417  -3.299
  116   3HD1  LEU  17          3HD1      LEU  17  -5.149   4.326  -3.074
  117   1HD2  LEU  17          1HD2      LEU  17  -6.711   6.045  -0.590
  118   2HD2  LEU  17          2HD2      LEU  17  -5.183   5.571   0.142
  119   3HD2  LEU  17          3HD2      LEU  17  -6.009   4.473  -0.958
  120    H    SER  18           H        SER  18  -4.104   6.261   0.596
  121    HA   SER  18           HA       SER  18  -2.310   7.081   2.665
  122   1HB   SER  18          1HB       SER  18  -5.197   7.844   3.051
  123   2HB   SER  18          2HB       SER  18  -3.785   8.380   3.959
  124    HG   SER  18           HG       SER  18  -3.224   9.717   2.304
  125    H    PHE  19           H        PHE  19  -2.714   5.853   4.627
  126    HA   PHE  19           HA       PHE  19  -4.881   3.978   4.753
  127   1HB   PHE  19          1HB       PHE  19  -2.814   3.195   3.135
  128   2HB   PHE  19          2HB       PHE  19  -2.342   2.488   4.673
  129    HD1  PHE  19           HD1      PHE  19  -2.611   0.242   4.228
  130    HD2  PHE  19           HD2      PHE  19  -5.809   2.916   3.397
  131    HE1  PHE  19           HE1      PHE  19  -4.084  -1.673   3.783
  132    HE2  PHE  19           HE2      PHE  19  -7.292   1.000   2.959
  133    HZ   PHE  19           HZ       PHE  19  -6.430  -1.295   3.147
  134    H    ARG  20           H        ARG  20  -4.666   2.491   6.645
  135    HA   ARG  20           HA       ARG  20  -2.911   3.610   8.718
  136   1HB   ARG  20          1HB       ARG  20  -4.643   3.765  10.295
  137   2HB   ARG  20          2HB       ARG  20  -5.315   4.434   8.818
  138   1HG   ARG  20          1HG       ARG  20  -5.843   1.711   9.979
  139   2HG   ARG  20          2HG       ARG  20  -6.959   3.072   9.903
  140   1HD   ARG  20          1HD       ARG  20  -5.877   1.449   7.616
  141   2HD   ARG  20          2HD       ARG  20  -7.544   1.538   8.171
  142    HE   ARG  20           HE       ARG  20  -6.239   3.321   6.375
  143   1HH1  ARG  20          1HH1      ARG  20  -8.686   3.180   8.855
  144   2HH1  ARG  20          2HH1      ARG  20  -9.578   4.524   8.223
  145   1HH2  ARG  20          1HH2      ARG  20  -7.402   5.070   5.537
  146   2HH2  ARG  20          2HH2      ARG  20  -8.847   5.601   6.331
  147    H    LYS  21           H        LYS  21  -2.521   2.243  10.559
  148    HA   LYS  21           HA       LYS  21  -1.661  -0.319   9.901
  149   1HB   LYS  21          1HB       LYS  21  -1.088  -0.603  12.154
  150   2HB   LYS  21          2HB       LYS  21  -0.923   1.112  11.839
  151   1HG   LYS  21          1HG       LYS  21  -1.981   1.174  13.851
  152   2HG   LYS  21          2HG       LYS  21  -3.374   1.206  12.772
  153   1HD   LYS  21          1HD       LYS  21  -3.702  -0.359  14.624
  154   2HD   LYS  21          2HD       LYS  21  -3.677  -1.199  13.080
  155   1HE   LYS  21          1HE       LYS  21  -1.129  -1.489  13.635
  156   2HE   LYS  21          2HE       LYS  21  -1.675  -1.211  15.286
  157   1HZ   LYS  21          1HZ       LYS  21  -2.064  -3.507  13.578
  158   2HZ   LYS  21          2HZ       LYS  21  -3.452  -3.020  14.413
  159   3HZ   LYS  21          3HZ       LYS  21  -2.043  -3.403  15.267
  160    H    GLY  22           H        GLY  22  -2.493  -2.283   9.912
  161   1HA   GLY  22          1HA       GLY  22  -3.927  -4.006  10.632
  162   2HA   GLY  22          2HA       GLY  22  -5.051  -2.796  11.221
  163    H    GLN  23           H        GLN  23  -4.645  -1.435   8.432
  164    HA   GLN  23           HA       GLN  23  -6.931  -2.739   7.297
  165   1HB   GLN  23          1HB       GLN  23  -6.126  -0.195   7.270
  166   2HB   GLN  23          2HB       GLN  23  -5.477  -0.704   5.731
  167   1HG   GLN  23          1HG       GLN  23  -7.555   0.109   5.167
  168   2HG   GLN  23          2HG       GLN  23  -7.852  -1.622   5.294
  169   1HE2  GLN  23          1HE2      GLN  23  -8.394  -2.247   7.699
  170   2HE2  GLN  23          2HE2      GLN  23  -9.605  -1.269   8.436
  171    H    ILE  24           H        ILE  24  -7.122  -3.405   5.040
  172    HA   ILE  24           HA       ILE  24  -4.668  -4.764   4.186
  173    HB   ILE  24           HB       ILE  24  -6.593  -6.193   4.728
  174   1HG1  ILE  24          1HG1      ILE  24  -6.670  -7.105   2.140
  175   2HG1  ILE  24          2HG1      ILE  24  -5.193  -6.145   2.149
  176   1HG2  ILE  24          1HG2      ILE  24  -8.118  -5.670   2.322
  177   2HG2  ILE  24          2HG2      ILE  24  -8.080  -4.276   3.401
  178   3HG2  ILE  24          3HG2      ILE  24  -8.659  -5.834   3.992
  179   1HD1  ILE  24          1HD1      ILE  24  -4.708  -7.478   4.346
  180   2HD1  ILE  24          2HD1      ILE  24  -4.391  -8.194   2.766
  181   3HD1  ILE  24          3HD1      ILE  24  -5.855  -8.623   3.651
  182    H    LEU  25           H        LEU  25  -3.597  -3.714   2.685
  183    HA   LEU  25           HA       LEU  25  -5.023  -2.195   0.627
  184   1HB   LEU  25          1HB       LEU  25  -2.690  -1.420   0.049
  185   2HB   LEU  25          2HB       LEU  25  -3.314  -0.923   1.604
  186    HG   LEU  25           HG       LEU  25  -1.817  -3.397   1.827
  187   1HD1  LEU  25          1HD1      LEU  25   0.008  -2.980   0.631
  188   2HD1  LEU  25          2HD1      LEU  25   0.189  -1.415   1.417
  189   3HD1  LEU  25          3HD1      LEU  25  -0.778  -1.557  -0.045
  190   1HD2  LEU  25          1HD2      LEU  25  -2.197  -2.216   3.795
  191   2HD2  LEU  25          2HD2      LEU  25  -1.757  -0.675   3.058
  192   3HD2  LEU  25          3HD2      LEU  25  -0.513  -1.863   3.414
  193    H    LYS  26           H        LYS  26  -5.033  -2.805  -1.519
  194    HA   LYS  26           HA       LYS  26  -3.906  -5.421  -2.159
  195   1HB   LYS  26          1HB       LYS  26  -6.299  -4.750  -2.675
  196   2HB   LYS  26          2HB       LYS  26  -5.638  -3.701  -3.923
  197   1HG   LYS  26          1HG       LYS  26  -5.831  -5.447  -5.283
  198   2HG   LYS  26          2HG       LYS  26  -4.425  -6.108  -4.448
  199   1HD   LYS  26          1HD       LYS  26  -6.083  -7.094  -2.783
  200   2HD   LYS  26          2HD       LYS  26  -7.335  -6.689  -3.958
  201   1HE   LYS  26          1HE       LYS  26  -6.891  -8.548  -5.087
  202   2HE   LYS  26          2HE       LYS  26  -5.228  -8.016  -5.330
  203   1HZ   LYS  26          1HZ       LYS  26  -4.532  -9.556  -3.922
  204   2HZ   LYS  26          2HZ       LYS  26  -6.113 -10.146  -3.794
  205   3HZ   LYS  26          3HZ       LYS  26  -5.553  -8.986  -2.700
  206    H    ILE  27           H        ILE  27  -2.117  -5.710  -3.306
  207    HA   ILE  27           HA       ILE  27  -0.821  -3.414  -4.541
  208    HB   ILE  27           HB       ILE  27   0.265  -6.215  -4.474
  209   1HG1  ILE  27          1HG1      ILE  27   0.993  -4.195  -2.389
  210   2HG1  ILE  27          2HG1      ILE  27  -0.457  -5.169  -2.172
  211   1HG2  ILE  27          1HG2      ILE  27   2.427  -5.005  -4.505
  212   2HG2  ILE  27          2HG2      ILE  27   1.537  -3.492  -4.664
  213   3HG2  ILE  27          3HG2      ILE  27   1.435  -4.712  -5.933
  214   1HD1  ILE  27          1HD1      ILE  27   0.888  -7.198  -2.371
  215   2HD1  ILE  27          2HD1      ILE  27   1.432  -6.175  -1.050
  216   3HD1  ILE  27          3HD1      ILE  27   2.335  -6.212  -2.558
  217    H    LEU  28           H        LEU  28  -0.888  -2.990  -6.602
  218    HA   LEU  28           HA       LEU  28  -1.736  -5.057  -8.544
  219   1HB   LEU  28          1HB       LEU  28  -2.041  -2.060  -8.659
  220   2HB   LEU  28          2HB       LEU  28  -2.473  -3.169  -9.946
  221    HG   LEU  28           HG       LEU  28  -3.711  -3.320  -7.205
  222   1HD1  LEU  28          1HD1      LEU  28  -4.105  -1.097  -8.224
  223   2HD1  LEU  28          2HD1      LEU  28  -5.575  -2.052  -8.033
  224   3HD1  LEU  28          3HD1      LEU  28  -4.821  -1.902  -9.620
  225   1HD2  LEU  28          1HD2      LEU  28  -4.209  -4.586  -9.864
  226   2HD2  LEU  28          2HD2      LEU  28  -5.547  -4.351  -8.738
  227   3HD2  LEU  28          3HD2      LEU  28  -4.154  -5.322  -8.261
  228    H    ASN  29           H        ASN  29   0.469  -2.420  -7.848
  229    HA   ASN  29           HA       ASN  29   2.440  -3.578  -9.645
  230   1HB   ASN  29          1HB       ASN  29   2.800  -1.002 -10.372
  231   2HB   ASN  29          2HB       ASN  29   1.915  -2.194 -11.314
  232   1HD2  ASN  29          1HD2      ASN  29   1.813   0.843 -10.493
  233   2HD2  ASN  29          2HD2      ASN  29   0.116   1.107 -10.357
  234    H    MET  30           H        MET  30   4.472  -3.328  -8.834
  235    HA   MET  30           HA       MET  30   4.732  -1.805  -6.354
  236   1HB   MET  30          1HB       MET  30   6.874  -3.029  -6.090
  237   2HB   MET  30          2HB       MET  30   5.488  -4.099  -6.239
  238   1HG   MET  30          1HG       MET  30   6.060  -4.369  -8.656
  239   2HG   MET  30          2HG       MET  30   7.541  -3.466  -8.343
  240   1HE   MET  30          1HE       MET  30   6.002  -6.370  -8.970
  241   2HE   MET  30          2HE       MET  30   6.473  -7.671  -7.875
  242   3HE   MET  30          3HE       MET  30   7.551  -7.185  -9.185
  243    H    GLU  31           H        GLU  31   5.041  -1.083  -9.481
  244    HA   GLU  31           HA       GLU  31   5.890   0.703 -10.517
  245   1HB   GLU  31          1HB       GLU  31   7.543   1.140  -8.030
  246   2HB   GLU  31          2HB       GLU  31   7.403   2.249  -9.382
  247   1HG   GLU  31          1HG       GLU  31   5.141   1.402  -7.587
  248   2HG   GLU  31          2HG       GLU  31   6.024   2.925  -7.486
  249    H    ASP  32           H        ASP  32   8.872   1.172  -9.584
  250    HA   ASP  32           HA       ASP  32   9.964  -0.832 -11.376
  251   1HB   ASP  32          1HB       ASP  32  10.406   1.979 -11.398
  252   2HB   ASP  32          2HB       ASP  32  11.940   1.196 -11.024
  253    H    ASP  33           H        ASP  33   9.523  -0.869  -8.338
  254    HA   ASP  33           HA       ASP  33  10.457  -2.230  -6.770
  255   1HB   ASP  33          1HB       ASP  33  12.787  -2.418  -8.704
  256   2HB   ASP  33          2HB       ASP  33  12.725  -3.252  -7.160
  257    H    SER  34           H        SER  34  10.301   0.009  -5.881
  258    HA   SER  34           HA       SER  34  12.879   0.712  -4.768
  259   1HB   SER  34          1HB       SER  34  12.806   3.046  -5.398
  260   2HB   SER  34          2HB       SER  34  12.673   2.062  -6.852
  261    HG   SER  34           HG       SER  34  11.094   3.956  -6.255
  262    H    ASN  35           H        ASN  35  11.591   3.355  -4.057
  263    HA   ASN  35           HA       ASN  35  10.691   2.498  -1.440
  264   1HB   ASN  35          1HB       ASN  35  12.045   4.694  -2.342
  265   2HB   ASN  35          2HB       ASN  35  10.465   5.346  -1.919
  266   1HD2  ASN  35          1HD2      ASN  35   9.953   5.615   0.166
  267   2HD2  ASN  35          2HD2      ASN  35  10.961   5.159   1.493
  268    H    TRP  36           H        TRP  36   8.990   3.707  -4.260
  269    HA   TRP  36           HA       TRP  36   6.583   3.879  -2.568
  270   1HB   TRP  36          1HB       TRP  36   7.255   5.161  -5.218
  271   2HB   TRP  36          2HB       TRP  36   5.620   5.145  -4.557
  272    HD1  TRP  36           HD1      TRP  36   8.832   7.035  -4.386
  273    HE1  TRP  36           HE1      TRP  36   8.684   8.873  -2.591
  274    HE3  TRP  36           HE3      TRP  36   4.499   5.584  -2.088
  275    HZ2  TRP  36           HZ2      TRP  36   6.962   9.609  -0.479
  276    HZ3  TRP  36           HZ3      TRP  36   3.671   6.912  -0.191
  277    HH2  TRP  36           HH2      TRP  36   4.878   8.882   0.599
  278    H    TYR  37           H        TYR  37   4.896   2.516  -2.945
  279    HA   TYR  37           HA       TYR  37   5.017   0.725  -5.290
  280   1HB   TYR  37          1HB       TYR  37   4.417   0.181  -2.400
  281   2HB   TYR  37          2HB       TYR  37   3.628  -0.795  -3.629
  282    HD1  TYR  37           HD1      TYR  37   4.944  -2.503  -2.081
  283    HD2  TYR  37           HD2      TYR  37   6.779   0.120  -4.885
  284    HE1  TYR  37           HE1      TYR  37   6.910  -3.973  -2.164
  285    HE2  TYR  37           HE2      TYR  37   8.748  -1.345  -4.975
  286    HH   TYR  37           HH       TYR  37   9.597  -3.421  -2.851
  287    H    ARG  38           H        ARG  38   2.937   0.089  -6.174
  288    HA   ARG  38           HA       ARG  38   0.871   2.103  -5.626
  289   1HB   ARG  38          1HB       ARG  38   1.820   0.766  -8.051
  290   2HB   ARG  38          2HB       ARG  38   0.069   0.842  -7.929
  291   1HG   ARG  38          1HG       ARG  38   1.687   3.300  -7.468
  292   2HG   ARG  38          2HG       ARG  38   1.385   2.744  -9.104
  293   1HD   ARG  38          1HD       ARG  38  -0.880   3.016  -7.174
  294   2HD   ARG  38          2HD       ARG  38  -0.231   4.443  -7.985
  295    HE   ARG  38           HE       ARG  38  -0.916   2.220  -9.706
  296   1HH1  ARG  38          1HH1      ARG  38  -1.942   5.226  -8.277
  297   2HH1  ARG  38          2HH1      ARG  38  -3.140   5.536  -9.486
  298   1HH2  ARG  38          1HH2      ARG  38  -2.496   2.592 -11.274
  299   2HH2  ARG  38          2HH2      ARG  38  -3.478   4.016 -11.183
  300    H    ALA  39           H        ALA  39  -1.012   1.583  -4.713
  301    HA   ALA  39           HA       ALA  39  -1.978  -1.176  -4.959
  302   1HB   ALA  39          1HB       ALA  39  -2.194  -1.570  -2.715
  303   2HB   ALA  39          2HB       ALA  39  -2.271   0.142  -2.309
  304   3HB   ALA  39          3HB       ALA  39  -0.727  -0.597  -2.731
  305    H    GLU  40           H        GLU  40  -4.248  -1.393  -4.145
  306    HA   GLU  40           HA       GLU  40  -5.842   1.004  -4.810
  307   1HB   GLU  40          1HB       GLU  40  -5.958  -0.929  -6.443
  308   2HB   GLU  40          2HB       GLU  40  -6.665  -1.888  -5.151
  309   1HG   GLU  40          1HG       GLU  40  -8.194   0.427  -5.213
  310   2HG   GLU  40          2HG       GLU  40  -7.895   0.042  -6.907
  311    H    LEU  41           H        LEU  41  -7.439   1.602  -3.386
  312    HA   LEU  41           HA       LEU  41  -8.318  -0.248  -1.331
  313   1HB   LEU  41          1HB       LEU  41  -7.017   0.589   0.269
  314   2HB   LEU  41          2HB       LEU  41  -6.361   1.779  -0.831
  315    HG   LEU  41           HG       LEU  41  -8.451   3.175  -0.255
  316   1HD1  LEU  41          1HD1      LEU  41  -8.483   1.853   2.371
  317   2HD1  LEU  41          2HD1      LEU  41  -9.276   0.974   1.067
  318   3HD1  LEU  41          3HD1      LEU  41  -9.787   2.612   1.467
  319   1HD2  LEU  41          1HD2      LEU  41  -5.966   2.735   1.210
  320   2HD2  LEU  41          2HD2      LEU  41  -7.230   3.531   2.147
  321   3HD2  LEU  41          3HD2      LEU  41  -6.694   4.225   0.631
  322    H    ASP  42           H        ASP  42 -10.399  -0.046  -0.964
  323    HA   ASP  42           HA       ASP  42 -12.555   0.532  -1.303
  324   1HB   ASP  42          1HB       ASP  42 -13.251   2.725  -0.620
  325   2HB   ASP  42          2HB       ASP  42 -11.945   2.202   0.436
  326    H    GLY  43           H        GLY  43 -10.878   0.385  -3.659
  327   1HA   GLY  43          1HA       GLY  43 -11.437   0.544  -5.918
  328   2HA   GLY  43          2HA       GLY  43 -12.719   1.662  -5.491
  329    H    LYS  44           H        LYS  44  -9.659   2.487  -4.200
  330    HA   LYS  44           HA       LYS  44  -9.270   4.465  -6.353
  331   1HB   LYS  44          1HB       LYS  44 -10.063   5.414  -4.193
  332   2HB   LYS  44          2HB       LYS  44  -8.642   4.739  -3.408
  333   1HG   LYS  44          1HG       LYS  44  -8.374   7.118  -3.874
  334   2HG   LYS  44          2HG       LYS  44  -7.197   6.146  -4.755
  335   1HD   LYS  44          1HD       LYS  44  -9.198   6.282  -6.573
  336   2HD   LYS  44          2HD       LYS  44  -9.382   7.837  -5.758
  337   1HE   LYS  44          1HE       LYS  44  -7.474   8.649  -6.620
  338   2HE   LYS  44          2HE       LYS  44  -6.614   7.133  -6.377
  339   1HZ   LYS  44          1HZ       LYS  44  -6.949   7.855  -8.749
  340   2HZ   LYS  44          2HZ       LYS  44  -8.590   7.493  -8.547
  341   3HZ   LYS  44          3HZ       LYS  44  -7.431   6.276  -8.384
  342    H    GLU  45           H        GLU  45  -7.195   4.735  -7.135
  343    HA   GLU  45           HA       GLU  45  -5.169   2.900  -6.050
  344   1HB   GLU  45          1HB       GLU  45  -4.065   3.085  -8.290
  345   2HB   GLU  45          2HB       GLU  45  -5.662   2.352  -8.348
  346   1HG   GLU  45          1HG       GLU  45  -6.120   5.066  -8.719
  347   2HG   GLU  45          2HG       GLU  45  -4.672   4.725  -9.652
  348    H    GLY  46           H        GLY  46  -3.109   3.557  -5.690
  349   1HA   GLY  46          1HA       GLY  46  -2.041   6.120  -6.170
  350   2HA   GLY  46          2HA       GLY  46  -2.808   6.110  -4.586
  351    H    LEU  47           H        LEU  47  -0.026   6.451  -5.225
  352    HA   LEU  47           HA       LEU  47   1.480   4.129  -4.598
  353   1HB   LEU  47          1HB       LEU  47   1.996   7.024  -4.855
  354   2HB   LEU  47          2HB       LEU  47   3.118   6.135  -3.851
  355    HG   LEU  47           HG       LEU  47   4.221   6.024  -5.832
  356   1HD1  LEU  47          1HD1      LEU  47   3.867   3.730  -5.232
  357   2HD1  LEU  47          2HD1      LEU  47   3.805   3.887  -6.988
  358   3HD1  LEU  47          3HD1      LEU  47   2.316   3.711  -6.064
  359   1HD2  LEU  47          1HD2      LEU  47   3.333   6.313  -7.951
  360   2HD2  LEU  47          2HD2      LEU  47   2.258   7.269  -6.931
  361   3HD2  LEU  47          3HD2      LEU  47   1.755   5.674  -7.488
  362    H    ILE  48           H        ILE  48   2.678   3.711  -2.736
  363    HA   ILE  48           HA       ILE  48   1.737   4.902  -0.201
  364    HB   ILE  48           HB       ILE  48   2.116   1.935  -0.605
  365   1HG1  ILE  48          1HG1      ILE  48  -0.472   3.485  -0.430
  366   2HG1  ILE  48          2HG1      ILE  48   0.184   2.767  -1.897
  367   1HG2  ILE  48          1HG2      ILE  48   1.424   1.630   1.570
  368   2HG2  ILE  48          2HG2      ILE  48   0.629   3.187   1.646
  369   3HG2  ILE  48          3HG2      ILE  48   2.379   3.097   1.698
  370   1HD1  ILE  48          1HD1      ILE  48  -0.092   0.909   0.344
  371   2HD1  ILE  48          2HD1      ILE  48  -0.524   0.723  -1.352
  372   3HD1  ILE  48          3HD1      ILE  48  -1.608   1.579  -0.257
  373    HA   PRO  49           HA       PRO  49   6.096   4.865   0.476
  374   1HB   PRO  49          1HB       PRO  49   6.251   5.165   3.202
  375   2HB   PRO  49          2HB       PRO  49   5.864   6.499   2.107
  376   1HG   PRO  49          1HG       PRO  49   4.022   4.793   3.732
  377   2HG   PRO  49          2HG       PRO  49   3.970   6.540   3.456
  378   1HD   PRO  49          1HD       PRO  49   2.376   4.788   2.125
  379   2HD   PRO  49          2HD       PRO  49   2.932   6.309   1.412
  380    H    SER  50           H        SER  50   7.133   3.036   0.229
  381    HA   SER  50           HA       SER  50   6.287   0.523   0.896
  382   1HB   SER  50          1HB       SER  50   8.146   1.277  -0.727
  383   2HB   SER  50          2HB       SER  50   9.222   1.080   0.656
  384    HG   SER  50           HG       SER  50   8.885  -1.044   0.640
  385    H    ASN  51           H        ASN  51   8.022   2.613   2.955
  386    HA   ASN  51           HA       ASN  51   8.878   0.629   4.852
  387   1HB   ASN  51          1HB       ASN  51   8.542   3.532   5.532
  388   2HB   ASN  51          2HB       ASN  51   9.740   2.389   6.127
  389   1HD2  ASN  51          1HD2      ASN  51  11.684   2.797   5.420
  390   2HD2  ASN  51          2HD2      ASN  51  12.101   3.447   3.874
  391    H    TYR  52           H        TYR  52   5.914   2.330   4.336
  392    HA   TYR  52           HA       TYR  52   4.996   1.837   7.077
  393   1HB   TYR  52          1HB       TYR  52   3.684   3.271   4.767
  394   2HB   TYR  52          2HB       TYR  52   2.965   3.081   6.356
  395    HD1  TYR  52           HD1      TYR  52   6.559   3.654   6.290
  396    HD2  TYR  52           HD2      TYR  52   2.762   5.552   6.380
  397    HE1  TYR  52           HE1      TYR  52   7.630   5.743   7.005
  398    HE2  TYR  52           HE2      TYR  52   3.817   7.651   7.094
  399    HH   TYR  52           HH       TYR  52   5.830   8.742   7.259
  400    H    ILE  53           H        ILE  53   5.257  -0.043   4.471
  401    HA   ILE  53           HA       ILE  53   2.818  -1.545   5.117
  402    HB   ILE  53           HB       ILE  53   2.248  -0.428   3.110
  403   1HG1  ILE  53          1HG1      ILE  53   1.966  -3.006   3.244
  404   2HG1  ILE  53          2HG1      ILE  53   1.659  -2.183   1.733
  405   1HG2  ILE  53          1HG2      ILE  53   3.583   0.102   1.374
  406   2HG2  ILE  53          2HG2      ILE  53   4.541  -1.370   1.498
  407   3HG2  ILE  53          3HG2      ILE  53   4.820  -0.043   2.618
  408   1HD1  ILE  53          1HD1      ILE  53   3.053  -3.547   0.722
  409   2HD1  ILE  53          2HD1      ILE  53   3.443  -4.315   2.257
  410   3HD1  ILE  53          3HD1      ILE  53   4.374  -2.924   1.711
  411    H    GLU  54           H        GLU  54   2.968  -3.840   4.475
  412    HA   GLU  54           HA       GLU  54   5.671  -4.829   4.006
  413   1HB   GLU  54          1HB       GLU  54   5.216  -6.526   5.926
  414   2HB   GLU  54          2HB       GLU  54   5.818  -4.921   6.314
  415   1HG   GLU  54          1HG       GLU  54   4.087  -4.575   7.637
  416   2HG   GLU  54          2HG       GLU  54   2.983  -4.809   6.285
  417    H    MET  55           H        MET  55   5.751  -7.087   3.470
  418    HA   MET  55           HA       MET  55   3.942  -7.858   1.555
  419   1HB   MET  55          1HB       MET  55   6.296  -8.866   2.588
  420   2HB   MET  55          2HB       MET  55   5.135 -10.145   2.920
  421   1HG   MET  55          1HG       MET  55   4.592 -10.366   0.625
  422   2HG   MET  55          2HG       MET  55   5.472  -8.896   0.209
  423   1HE   MET  55          1HE       MET  55   8.332  -9.151   1.669
  424   2HE   MET  55          2HE       MET  55   7.901  -8.617   0.045
  425   3HE   MET  55          3HE       MET  55   9.136  -9.856   0.266
  426    H    LYS  56           H        LYS  56   2.900 -10.200   1.727
  427    HA   LYS  56           HA       LYS  56   1.530 -10.843   4.134
  428   1HB   LYS  56          1HB       LYS  56   0.391  -8.737   3.046
  429   2HB   LYS  56          2HB       LYS  56  -0.350  -9.922   1.994
  430   1HG   LYS  56          1HG       LYS  56  -0.758  -9.403   4.887
  431   2HG   LYS  56          2HG       LYS  56  -1.938  -9.738   3.628
  432   1HD   LYS  56          1HD       LYS  56  -0.667 -12.118   3.734
  433   2HD   LYS  56          2HD       LYS  56  -0.447 -11.582   5.391
  434   1HE   LYS  56          1HE       LYS  56  -2.628 -11.811   5.884
  435   2HE   LYS  56          2HE       LYS  56  -3.152 -11.198   4.318
  436   1HZ   LYS  56          1HZ       LYS  56  -2.310 -13.954   4.995
  437   2HZ   LYS  56          2HZ       LYS  56  -2.449 -13.417   3.403
  438   3HZ   LYS  56          3HZ       LYS  56  -3.807 -13.440   4.411
  439    H    ASN  57           H        ASN  57  -0.736 -11.644   1.992
  440    HA   ASN  57           HA       ASN  57  -1.202 -13.346   0.584
  441   1HB   ASN  57          1HB       ASN  57   1.781 -13.478   0.440
  442   2HB   ASN  57          2HB       ASN  57   0.809 -14.762  -0.258
  443   1HD2  ASN  57          1HD2      ASN  57   2.551 -12.532  -1.302
  444   2HD2  ASN  57          2HD2      ASN  57   1.605 -11.823  -2.548
  445    H    HIS  58           H        HIS  58   1.395 -14.456   2.922
  446    HA   HIS  58           HA       HIS  58   1.455 -16.263   4.234
  447   1HB   HIS  58          1HB       HIS  58  -1.407 -15.482   4.221
  448   2HB   HIS  58          2HB       HIS  58  -1.014 -17.069   4.881
  449    HD1  HIS  58           HD1      HIS  58   0.947 -16.996   6.802
  450    HD2  HIS  58           HD2      HIS  58  -1.048 -13.438   6.007
  451    HE1  HIS  58           HE1      HIS  58   1.404 -15.511   8.778
  452    HE2  HIS  58           HE2      HIS  58   0.290 -13.324   8.215
  453    H    ASP  59           H        ASP  59   2.359 -17.447   2.480
  454    HA   ASP  59           HA       ASP  59   2.599 -19.296   1.172
  455   1HB   ASP  59          1HB       ASP  59   0.274 -20.033   2.905
  456   2HB   ASP  59          2HB       ASP  59   0.702 -21.085   1.561
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1   0.527 -11.374  -4.605
    2   2H    MET   1          2H        MET   1  -0.346 -11.347  -3.131
    3   3H    MET   1          3H        MET   1   0.874 -10.176  -3.431
    4    HA   MET   1           HA       MET   1  -0.372  -9.128  -5.046
    5   1HB   MET   1          1HB       MET   1  -1.436 -11.726  -5.393
    6   2HB   MET   1          2HB       MET   1  -2.795 -10.723  -4.902
    7   1HG   MET   1          1HG       MET   1  -2.628  -9.353  -6.765
    8   2HG   MET   1          2HG       MET   1  -0.964  -9.831  -7.090
    9   1HE   MET   1          1HE       MET   1  -3.999 -10.089  -9.243
   10   2HE   MET   1          2HE       MET   1  -2.829 -10.946 -10.247
   11   3HE   MET   1          3HE       MET   1  -2.335  -9.512  -9.345
   12    H    GLU   2           H        GLU   2  -0.927 -10.271  -1.953
   13    HA   GLU   2           HA       GLU   2  -2.747  -8.033  -1.504
   14   1HB   GLU   2          1HB       GLU   2  -2.854 -10.749  -0.219
   15   2HB   GLU   2          2HB       GLU   2  -3.622  -9.348   0.509
   16   1HG   GLU   2          1HG       GLU   2  -5.402 -10.060  -0.652
   17   2HG   GLU   2          2HG       GLU   2  -4.622  -9.194  -1.969
   18    H    ALA   3           H        ALA   3  -2.384  -6.823   0.412
   19    HA   ALA   3           HA       ALA   3  -0.170  -7.603   2.161
   20   1HB   ALA   3          1HB       ALA   3   0.434  -4.973   1.768
   21   2HB   ALA   3          2HB       ALA   3  -0.023  -5.490   0.145
   22   3HB   ALA   3          3HB       ALA   3   1.263  -6.329   1.008
   23    H    ILE   4           H        ILE   4   0.153  -5.969   3.924
   24    HA   ILE   4           HA       ILE   4  -2.338  -4.611   4.647
   25    HB   ILE   4           HB       ILE   4  -2.730  -5.609   6.631
   26   1HG1  ILE   4          1HG1      ILE   4  -0.372  -5.114   7.518
   27   2HG1  ILE   4          2HG1      ILE   4  -1.223  -6.486   8.202
   28   1HG2  ILE   4          1HG2      ILE   4  -3.151  -7.688   6.040
   29   2HG2  ILE   4          2HG2      ILE   4  -1.445  -8.120   6.024
   30   3HG2  ILE   4          3HG2      ILE   4  -2.184  -7.401   4.600
   31   1HD1  ILE   4          1HD1      ILE   4   0.330  -7.339   5.982
   32   2HD1  ILE   4          2HD1      ILE   4   0.432  -7.824   7.674
   33   3HD1  ILE   4          3HD1      ILE   4   1.330  -6.426   7.099
   34    H    ALA   5           H        ALA   5  -2.179  -2.794   5.848
   35    HA   ALA   5           HA       ALA   5   0.319  -1.425   5.824
   36   1HB   ALA   5          1HB       ALA   5  -1.388   0.047   5.508
   37   2HB   ALA   5          2HB       ALA   5  -1.154   0.243   7.240
   38   3HB   ALA   5          3HB       ALA   5  -2.463  -0.773   6.638
   39    H    LYS   6           H        LYS   6   1.858  -1.465   7.299
   40    HA   LYS   6           HA       LYS   6   1.347  -2.618   9.950
   41   1HB   LYS   6          1HB       LYS   6   3.388  -3.446   9.432
   42   2HB   LYS   6          2HB       LYS   6   3.693  -2.209   8.230
   43   1HG   LYS   6          1HG       LYS   6   4.108  -0.729  10.391
   44   2HG   LYS   6          2HG       LYS   6   4.443  -2.310  11.098
   45   1HD   LYS   6          1HD       LYS   6   5.807  -2.431   8.726
   46   2HD   LYS   6          2HD       LYS   6   5.990  -0.735   9.175
   47   1HE   LYS   6          1HE       LYS   6   7.214  -1.216  11.040
   48   2HE   LYS   6          2HE       LYS   6   6.442  -2.783  11.277
   49   1HZ   LYS   6          1HZ       LYS   6   7.694  -3.374   9.103
   50   2HZ   LYS   6          2HZ       LYS   6   8.530  -3.374  10.573
   51   3HZ   LYS   6          3HZ       LYS   6   8.683  -2.064   9.515
   52    H    HIS   7           H        HIS   7   1.545   0.425   8.463
   53    HA   HIS   7           HA       HIS   7   0.973   1.716  10.976
   54   1HB   HIS   7          1HB       HIS   7   3.504   2.288   9.460
   55   2HB   HIS   7          2HB       HIS   7   2.752   3.511  10.483
   56    HD1  HIS   7           HD1      HIS   7   1.949   1.927  12.918
   57    HD2  HIS   7           HD2      HIS   7   5.567   1.343  10.959
   58    HE1  HIS   7           HE1      HIS   7   3.465   0.854  14.613
   59    HE2  HIS   7           HE2      HIS   7   5.605   0.395  13.366
   60    H    ASP   8           H        ASP   8   0.891   4.194  10.491
   61    HA   ASP   8           HA       ASP   8  -1.211   4.412   8.553
   62   1HB   ASP   8          1HB       ASP   8  -0.053   6.735  10.087
   63   2HB   ASP   8          2HB       ASP   8  -1.706   6.509   9.526
   64    H    PHE   9           H        PHE   9  -1.248   5.651   6.670
   65    HA   PHE   9           HA       PHE   9   1.279   6.910   5.945
   66   1HB   PHE   9          1HB       PHE   9   1.694   5.019   4.720
   67   2HB   PHE   9          2HB       PHE   9  -0.006   4.611   4.576
   68    HD1  PHE   9           HD1      PHE   9   2.054   7.531   3.460
   69    HD2  PHE   9           HD2      PHE   9  -0.600   4.383   2.378
   70    HE1  PHE   9           HE1      PHE   9   2.072   8.316   1.130
   71    HE2  PHE   9           HE2      PHE   9  -0.567   5.173   0.046
   72    HZ   PHE   9           HZ       PHE   9   0.751   7.135  -0.574
   73    H    SER  10           H        SER  10   1.028   8.845   5.160
   74    HA   SER  10           HA       SER  10  -1.439   9.551   3.710
   75   1HB   SER  10          1HB       SER  10   0.278  11.489   5.302
   76   2HB   SER  10          2HB       SER  10  -1.319  11.789   4.618
   77    HG   SER  10           HG       SER  10  -1.027   9.733   6.501
   78    H    ALA  11           H        ALA  11  -1.189  10.049   1.743
   79    HA   ALA  11           HA       ALA  11   1.075   9.627   0.264
   80   1HB   ALA  11          1HB       ALA  11  -0.828   9.624  -0.972
   81   2HB   ALA  11          2HB       ALA  11  -0.170  11.203  -1.401
   82   3HB   ALA  11          3HB       ALA  11  -1.463  11.082  -0.209
   83    H    THR  12           H        THR  12   2.720  10.693  -0.459
   84    HA   THR  12           HA       THR  12   3.073  13.457   0.442
   85    HB   THR  12           HB       THR  12   5.010  11.161   0.141
   86    HG1  THR  12           HG1      THR  12   4.035  11.648   2.159
   87   1HG2  THR  12          1HG2      THR  12   6.359  13.591   0.890
   88   2HG2  THR  12          2HG2      THR  12   5.724  13.713  -0.741
   89   3HG2  THR  12          3HG2      THR  12   6.795  12.387  -0.318
   90    H    ALA  13           H        ALA  13   2.033  11.962  -2.116
   91    HA   ALA  13           HA       ALA  13   2.812  14.115  -3.892
   92   1HB   ALA  13          1HB       ALA  13   3.446  11.217  -4.425
   93   2HB   ALA  13          2HB       ALA  13   4.560  12.579  -4.408
   94   3HB   ALA  13          3HB       ALA  13   3.366  12.430  -5.696
   95    H    ASP  14           H        ASP  14   1.541  14.051  -5.856
   96    HA   ASP  14           HA       ASP  14  -1.179  13.828  -5.289
   97   1HB   ASP  14          1HB       ASP  14  -0.221  15.415  -6.899
   98   2HB   ASP  14          2HB       ASP  14   0.125  14.084  -7.997
   99    H    ASP  15           H        ASP  15   0.942  11.542  -6.805
  100    HA   ASP  15           HA       ASP  15  -1.278   9.966  -7.800
  101   1HB   ASP  15          1HB       ASP  15   1.489  10.303  -8.443
  102   2HB   ASP  15          2HB       ASP  15   1.145   8.595  -8.191
  103    H    GLU  16           H        GLU  16  -0.487  10.194  -4.824
  104    HA   GLU  16           HA       GLU  16  -0.210   7.332  -4.215
  105   1HB   GLU  16          1HB       GLU  16   0.614   9.783  -2.696
  106   2HB   GLU  16          2HB       GLU  16   0.513   8.199  -1.946
  107   1HG   GLU  16          1HG       GLU  16   2.209   7.334  -3.349
  108   2HG   GLU  16          2HG       GLU  16   2.191   8.768  -4.369
  109    H    LEU  17           H        LEU  17  -1.192   6.635  -2.171
  110    HA   LEU  17           HA       LEU  17  -3.849   7.880  -1.863
  111   1HB   LEU  17          1HB       LEU  17  -4.552   5.588  -1.021
  112   2HB   LEU  17          2HB       LEU  17  -4.271   5.774  -2.734
  113    HG   LEU  17           HG       LEU  17  -1.913   4.836  -2.230
  114   1HD1  LEU  17          1HD1      LEU  17  -2.430   5.048   0.299
  115   2HD1  LEU  17          2HD1      LEU  17  -1.586   3.639  -0.289
  116   3HD1  LEU  17          3HD1      LEU  17  -3.285   3.535   0.082
  117   1HD2  LEU  17          1HD2      LEU  17  -3.965   2.747  -1.802
  118   2HD2  LEU  17          2HD2      LEU  17  -2.644   2.819  -2.961
  119   3HD2  LEU  17          3HD2      LEU  17  -4.118   3.745  -3.246
  120    H    SER  18           H        SER  18  -4.379   6.102   0.541
  121    HA   SER  18           HA       SER  18  -2.448   6.953   2.501
  122   1HB   SER  18          1HB       SER  18  -5.099   8.252   2.193
  123   2HB   SER  18          2HB       SER  18  -4.646   7.786   3.832
  124    HG   SER  18           HG       SER  18  -3.569   9.590   3.794
  125    H    PHE  19           H        PHE  19  -2.790   5.826   4.548
  126    HA   PHE  19           HA       PHE  19  -4.932   3.921   4.787
  127   1HB   PHE  19          1HB       PHE  19  -2.843   3.133   3.192
  128   2HB   PHE  19          2HB       PHE  19  -2.359   2.496   4.756
  129    HD1  PHE  19           HD1      PHE  19  -5.753   2.795   3.278
  130    HD2  PHE  19           HD2      PHE  19  -2.652   0.226   4.578
  131    HE1  PHE  19           HE1      PHE  19  -7.220   0.844   2.914
  132    HE2  PHE  19           HE2      PHE  19  -4.092  -1.730   4.230
  133    HZ   PHE  19           HZ       PHE  19  -6.386  -1.422   3.389
  134    H    ARG  20           H        ARG  20  -4.696   2.575   6.741
  135    HA   ARG  20           HA       ARG  20  -3.020   3.865   8.782
  136   1HB   ARG  20          1HB       ARG  20  -5.757   4.006   8.637
  137   2HB   ARG  20          2HB       ARG  20  -5.519   2.657   9.737
  138   1HG   ARG  20          1HG       ARG  20  -4.929   4.000  11.404
  139   2HG   ARG  20          2HG       ARG  20  -3.803   4.890  10.381
  140   1HD   ARG  20          1HD       ARG  20  -6.695   5.372   9.973
  141   2HD   ARG  20          2HD       ARG  20  -5.965   6.018  11.439
  142    HE   ARG  20           HE       ARG  20  -5.424   6.842   8.701
  143   1HH1  ARG  20          1HH1      ARG  20  -4.561   7.078  12.082
  144   2HH1  ARG  20          2HH1      ARG  20  -3.685   8.556  11.880
  145   1HH2  ARG  20          1HH2      ARG  20  -4.268   8.784   8.441
  146   2HH2  ARG  20          2HH2      ARG  20  -3.518   9.525   9.816
  147    H    LYS  21           H        LYS  21  -2.475   2.569  10.618
  148    HA   LYS  21           HA       LYS  21  -1.401   0.067  10.046
  149   1HB   LYS  21          1HB       LYS  21  -0.345   0.684  11.894
  150   2HB   LYS  21          2HB       LYS  21  -1.573   1.869  12.268
  151   1HG   LYS  21          1HG       LYS  21  -1.985  -1.011  12.975
  152   2HG   LYS  21          2HG       LYS  21  -0.972   0.024  13.977
  153   1HD   LYS  21          1HD       LYS  21  -3.912   0.258  13.422
  154   2HD   LYS  21          2HD       LYS  21  -3.094   0.109  14.969
  155   1HE   LYS  21          1HE       LYS  21  -3.102   2.505  13.138
  156   2HE   LYS  21          2HE       LYS  21  -3.896   2.361  14.702
  157   1HZ   LYS  21          1HZ       LYS  21  -1.106   2.872  14.086
  158   2HZ   LYS  21          2HZ       LYS  21  -1.386   1.826  15.385
  159   3HZ   LYS  21          3HZ       LYS  21  -2.040   3.385  15.400
  160    H    GLY  22           H        GLY  22  -2.121  -1.950  10.061
  161   1HA   GLY  22          1HA       GLY  22  -3.446  -3.755  10.783
  162   2HA   GLY  22          2HA       GLY  22  -4.632  -2.618  11.393
  163    H    GLN  23           H        GLN  23  -4.309  -1.279   8.529
  164    HA   GLN  23           HA       GLN  23  -6.566  -2.722   7.491
  165   1HB   GLN  23          1HB       GLN  23  -5.118  -0.445   6.169
  166   2HB   GLN  23          2HB       GLN  23  -6.740  -1.026   5.813
  167   1HG   GLN  23          1HG       GLN  23  -7.162  -0.465   8.327
  168   2HG   GLN  23          2HG       GLN  23  -5.755   0.572   8.122
  169   1HE2  GLN  23          1HE2      GLN  23  -5.914   2.377   6.851
  170   2HE2  GLN  23          2HE2      GLN  23  -7.401   3.003   6.262
  171    H    ILE  24           H        ILE  24  -6.787  -3.290   5.182
  172    HA   ILE  24           HA       ILE  24  -4.383  -4.733   4.312
  173    HB   ILE  24           HB       ILE  24  -6.302  -6.118   4.827
  174   1HG1  ILE  24          1HG1      ILE  24  -4.689  -6.608   2.868
  175   2HG1  ILE  24          2HG1      ILE  24  -6.163  -7.524   2.977
  176   1HG2  ILE  24          1HG2      ILE  24  -7.825  -4.929   2.538
  177   2HG2  ILE  24          2HG2      ILE  24  -7.949  -4.269   4.165
  178   3HG2  ILE  24          3HG2      ILE  24  -8.404  -5.935   3.857
  179   1HD1  ILE  24          1HD1      ILE  24  -6.686  -6.963   0.918
  180   2HD1  ILE  24          2HD1      ILE  24  -5.202  -6.017   0.810
  181   3HD1  ILE  24          3HD1      ILE  24  -6.689  -5.261   1.373
  182    H    LEU  25           H        LEU  25  -3.271  -3.650   2.830
  183    HA   LEU  25           HA       LEU  25  -4.632  -2.094   0.750
  184   1HB   LEU  25          1HB       LEU  25  -1.974  -2.101   2.000
  185   2HB   LEU  25          2HB       LEU  25  -1.923  -1.909   0.261
  186    HG   LEU  25           HG       LEU  25  -3.359  -0.128   2.203
  187   1HD1  LEU  25          1HD1      LEU  25  -0.740  -0.138   1.710
  188   2HD1  LEU  25          2HD1      LEU  25  -1.654   1.333   2.045
  189   3HD1  LEU  25          3HD1      LEU  25  -1.297   0.875   0.388
  190   1HD2  LEU  25          1HD2      LEU  25  -3.291   1.129  -0.241
  191   2HD2  LEU  25          2HD2      LEU  25  -4.694   0.398   0.531
  192   3HD2  LEU  25          3HD2      LEU  25  -3.744  -0.532  -0.623
  193    H    LYS  26           H        LYS  26  -4.665  -2.741  -1.409
  194    HA   LYS  26           HA       LYS  26  -3.655  -5.423  -1.958
  195   1HB   LYS  26          1HB       LYS  26  -5.630  -3.611  -3.273
  196   2HB   LYS  26          2HB       LYS  26  -4.912  -4.909  -4.209
  197   1HG   LYS  26          1HG       LYS  26  -6.547  -5.169  -1.696
  198   2HG   LYS  26          2HG       LYS  26  -7.021  -5.632  -3.332
  199   1HD   LYS  26          1HD       LYS  26  -4.555  -6.837  -2.168
  200   2HD   LYS  26          2HD       LYS  26  -6.122  -7.419  -1.611
  201   1HE   LYS  26          1HE       LYS  26  -5.462  -7.200  -4.531
  202   2HE   LYS  26          2HE       LYS  26  -5.021  -8.621  -3.592
  203   1HZ   LYS  26          1HZ       LYS  26  -7.047  -9.303  -4.234
  204   2HZ   LYS  26          2HZ       LYS  26  -7.631  -7.737  -4.495
  205   3HZ   LYS  26          3HZ       LYS  26  -7.582  -8.370  -2.928
  206    H    ILE  27           H        ILE  27  -1.801  -5.797  -3.001
  207    HA   ILE  27           HA       ILE  27  -0.389  -3.594  -4.253
  208    HB   ILE  27           HB       ILE  27   0.512  -6.468  -4.125
  209   1HG1  ILE  27          1HG1      ILE  27   0.931  -4.270  -2.082
  210   2HG1  ILE  27          2HG1      ILE  27  -0.006  -5.742  -1.847
  211   1HG2  ILE  27          1HG2      ILE  27   1.860  -3.838  -4.630
  212   2HG2  ILE  27          2HG2      ILE  27   1.869  -5.297  -5.621
  213   3HG2  ILE  27          3HG2      ILE  27   2.771  -5.254  -4.105
  214   1HD1  ILE  27          1HD1      ILE  27   2.970  -5.527  -2.231
  215   2HD1  ILE  27          2HD1      ILE  27   2.079  -7.046  -2.167
  216   3HD1  ILE  27          3HD1      ILE  27   2.108  -5.982  -0.761
  217    H    LEU  28           H        LEU  28  -0.066  -3.310  -6.345
  218    HA   LEU  28           HA       LEU  28  -1.059  -5.298  -8.291
  219   1HB   LEU  28          1HB       LEU  28  -1.353  -2.666  -9.348
  220   2HB   LEU  28          2HB       LEU  28  -2.572  -3.900  -9.116
  221    HG   LEU  28           HG       LEU  28  -1.916  -2.441  -6.656
  222   1HD1  LEU  28          1HD1      LEU  28  -2.184  -0.338  -7.300
  223   2HD1  LEU  28          2HD1      LEU  28  -3.636  -0.742  -8.214
  224   3HD1  LEU  28          3HD1      LEU  28  -2.050  -0.885  -8.969
  225   1HD2  LEU  28          1HD2      LEU  28  -4.553  -2.787  -8.059
  226   2HD2  LEU  28          2HD2      LEU  28  -4.256  -2.499  -6.345
  227   3HD2  LEU  28          3HD2      LEU  28  -3.821  -4.048  -7.066
  228    H    ASN  29           H        ASN  29   0.986  -2.526  -7.614
  229    HA   ASN  29           HA       ASN  29   3.063  -3.558  -9.371
  230   1HB   ASN  29          1HB       ASN  29   3.293  -1.286 -10.459
  231   2HB   ASN  29          2HB       ASN  29   1.951  -2.292 -10.992
  232   1HD2  ASN  29          1HD2      ASN  29   2.669   0.733 -10.572
  233   2HD2  ASN  29          2HD2      ASN  29   1.180   1.364  -9.974
  234    H    MET  30           H        MET  30   5.124  -2.874  -8.675
  235    HA   MET  30           HA       MET  30   5.169  -1.447  -6.141
  236   1HB   MET  30          1HB       MET  30   7.601  -2.074  -6.137
  237   2HB   MET  30          2HB       MET  30   6.482  -3.429  -6.156
  238   1HG   MET  30          1HG       MET  30   7.468  -2.449  -8.768
  239   2HG   MET  30          2HG       MET  30   8.614  -3.297  -7.730
  240   1HE   MET  30          1HE       MET  30   6.833  -6.350  -6.741
  241   2HE   MET  30          2HE       MET  30   8.240  -5.293  -6.621
  242   3HE   MET  30          3HE       MET  30   8.211  -6.591  -7.815
  243    H    GLU  31           H        GLU  31   5.125  -0.472  -9.209
  244    HA   GLU  31           HA       GLU  31   5.406   1.538 -10.130
  245   1HB   GLU  31          1HB       GLU  31   5.283   2.348  -7.713
  246   2HB   GLU  31          2HB       GLU  31   7.030   2.498  -7.805
  247   1HG   GLU  31          1HG       GLU  31   5.960   3.729 -10.115
  248   2HG   GLU  31          2HG       GLU  31   5.013   4.288  -8.737
  249    H    ASP  32           H        ASP  32   8.029   2.956  -9.286
  250    HA   ASP  32           HA       ASP  32   9.639   1.490 -11.140
  251   1HB   ASP  32          1HB       ASP  32   9.857   4.446 -10.786
  252   2HB   ASP  32          2HB       ASP  32  10.735   3.440 -11.936
  253    H    ASP  33           H        ASP  33   9.572   1.511  -8.076
  254    HA   ASP  33           HA       ASP  33  12.355   0.926  -7.922
  255   1HB   ASP  33          1HB       ASP  33  11.673   3.549  -7.598
  256   2HB   ASP  33          2HB       ASP  33  11.662   2.981  -5.932
  257    H    SER  34           H        SER  34  12.980   0.255  -5.804
  258    HA   SER  34           HA       SER  34  11.119  -1.542  -4.567
  259   1HB   SER  34          1HB       SER  34  13.960  -0.710  -4.091
  260   2HB   SER  34          2HB       SER  34  13.101  -1.702  -2.915
  261    HG   SER  34           HG       SER  34  12.643  -3.131  -4.749
  262    H    ASN  35           H        ASN  35  11.953   1.862  -3.933
  263    HA   ASN  35           HA       ASN  35  11.173   1.500  -1.175
  264   1HB   ASN  35          1HB       ASN  35  13.105   2.933  -1.845
  265   2HB   ASN  35          2HB       ASN  35  11.951   4.093  -2.493
  266   1HD2  ASN  35          1HD2      ASN  35  12.036   5.760  -1.159
  267   2HD2  ASN  35          2HD2      ASN  35  11.848   5.686   0.556
  268    H    TRP  36           H        TRP  36   9.292   1.934  -3.827
  269    HA   TRP  36           HA       TRP  36   7.181   3.112  -2.175
  270   1HB   TRP  36          1HB       TRP  36   7.878   4.024  -4.984
  271   2HB   TRP  36          2HB       TRP  36   6.454   4.524  -4.079
  272    HD1  TRP  36           HD1      TRP  36  10.016   5.433  -4.670
  273    HE1  TRP  36           HE1      TRP  36  10.695   7.388  -3.140
  274    HE3  TRP  36           HE3      TRP  36   5.976   5.458  -1.536
  275    HZ2  TRP  36           HZ2      TRP  36   9.657   8.757  -0.900
  276    HZ3  TRP  36           HZ3      TRP  36   5.895   7.124   0.270
  277    HH2  TRP  36           HH2      TRP  36   7.700   8.737   0.584
  278    H    TYR  37           H        TYR  37   5.215   2.051  -2.515
  279    HA   TYR  37           HA       TYR  37   5.119   0.203  -4.811
  280   1HB   TYR  37          1HB       TYR  37   4.638  -0.298  -1.920
  281   2HB   TYR  37          2HB       TYR  37   3.594  -1.129  -3.068
  282    HD1  TYR  37           HD1      TYR  37   4.269  -3.348  -3.117
  283    HD2  TYR  37           HD2      TYR  37   7.234  -0.306  -3.231
  284    HE1  TYR  37           HE1      TYR  37   6.006  -5.055  -3.464
  285    HE2  TYR  37           HE2      TYR  37   8.975  -1.996  -3.585
  286    HH   TYR  37           HH       TYR  37   8.618  -5.152  -2.970
  287    H    ARG  38           H        ARG  38   3.182  -0.067  -5.852
  288    HA   ARG  38           HA       ARG  38   1.169   1.987  -5.304
  289   1HB   ARG  38          1HB       ARG  38   2.277   1.598  -7.594
  290   2HB   ARG  38          2HB       ARG  38   1.230   0.194  -7.699
  291   1HG   ARG  38          1HG       ARG  38  -0.451   1.458  -8.387
  292   2HG   ARG  38          2HG       ARG  38  -0.340   2.435  -6.922
  293   1HD   ARG  38          1HD       ARG  38   0.968   4.034  -7.923
  294   2HD   ARG  38          2HD       ARG  38   1.617   2.915  -9.117
  295    HE   ARG  38           HE       ARG  38  -0.860   3.015  -9.957
  296   1HH1  ARG  38          1HH1      ARG  38   1.103   5.658  -8.783
  297   2HH1  ARG  38          2HH1      ARG  38   0.281   6.849  -9.731
  298   1HH2  ARG  38          1HH2      ARG  38  -1.937   4.587 -11.203
  299   2HH2  ARG  38          2HH2      ARG  38  -1.442   6.243 -11.103
  300    H    ALA  39           H        ALA  39  -0.773   1.515  -4.470
  301    HA   ALA  39           HA       ALA  39  -1.890  -1.153  -4.854
  302   1HB   ALA  39          1HB       ALA  39  -1.141  -0.030  -2.221
  303   2HB   ALA  39          2HB       ALA  39  -1.000  -1.670  -2.810
  304   3HB   ALA  39          3HB       ALA  39  -2.570  -1.032  -2.326
  305    H    GLU  40           H        GLU  40  -4.142  -1.228  -3.707
  306    HA   GLU  40           HA       GLU  40  -5.551   1.313  -4.223
  307   1HB   GLU  40          1HB       GLU  40  -7.512  -0.051  -4.919
  308   2HB   GLU  40          2HB       GLU  40  -6.137  -0.233  -5.998
  309   1HG   GLU  40          1HG       GLU  40  -6.020  -2.417  -5.632
  310   2HG   GLU  40          2HG       GLU  40  -6.134  -2.204  -3.887
  311    H    LEU  41           H        LEU  41  -7.325   1.782  -2.876
  312    HA   LEU  41           HA       LEU  41  -8.139  -0.056  -0.818
  313   1HB   LEU  41          1HB       LEU  41  -7.526   1.176   1.072
  314   2HB   LEU  41          2HB       LEU  41  -6.093   1.143   0.075
  315    HG   LEU  41           HG       LEU  41  -7.666   3.510  -0.472
  316   1HD1  LEU  41          1HD1      LEU  41  -8.438   3.811   1.632
  317   2HD1  LEU  41          2HD1      LEU  41  -6.805   4.406   1.900
  318   3HD1  LEU  41          3HD1      LEU  41  -7.225   2.756   2.341
  319   1HD2  LEU  41          1HD2      LEU  41  -4.935   2.665  -0.184
  320   2HD2  LEU  41          2HD2      LEU  41  -5.212   4.166   0.687
  321   3HD2  LEU  41          3HD2      LEU  41  -5.591   4.064  -1.027
  322    H    ASP  42           H        ASP  42 -10.216   0.255  -0.291
  323    HA   ASP  42           HA       ASP  42 -12.363   0.966  -0.519
  324   1HB   ASP  42          1HB       ASP  42 -10.943   3.582  -0.075
  325   2HB   ASP  42          2HB       ASP  42 -12.693   3.487  -0.243
  326    H    GLY  43           H        GLY  43 -10.745   0.667  -2.981
  327   1HA   GLY  43          1HA       GLY  43 -11.421   0.751  -5.215
  328   2HA   GLY  43          2HA       GLY  43 -12.655   1.918  -4.772
  329    H    LYS  44           H        LYS  44  -9.562   2.726  -3.592
  330    HA   LYS  44           HA       LYS  44  -9.178   4.615  -5.824
  331   1HB   LYS  44          1HB       LYS  44  -8.265   5.007  -2.968
  332   2HB   LYS  44          2HB       LYS  44  -8.315   6.207  -4.251
  333   1HG   LYS  44          1HG       LYS  44 -10.883   4.949  -3.505
  334   2HG   LYS  44          2HG       LYS  44 -10.155   6.049  -2.333
  335   1HD   LYS  44          1HD       LYS  44  -9.982   7.212  -4.938
  336   2HD   LYS  44          2HD       LYS  44 -11.644   6.694  -4.648
  337   1HE   LYS  44          1HE       LYS  44 -11.684   8.808  -3.751
  338   2HE   LYS  44          2HE       LYS  44 -11.280   7.849  -2.328
  339   1HZ   LYS  44          1HZ       LYS  44  -9.516   9.571  -3.952
  340   2HZ   LYS  44          2HZ       LYS  44  -8.871   8.339  -2.988
  341   3HZ   LYS  44          3HZ       LYS  44  -9.767   9.586  -2.278
  342    H    GLU  45           H        GLU  45  -7.137   4.759  -6.712
  343    HA   GLU  45           HA       GLU  45  -5.128   2.887  -5.645
  344   1HB   GLU  45          1HB       GLU  45  -4.262   2.733  -7.946
  345   2HB   GLU  45          2HB       GLU  45  -5.927   2.190  -7.808
  346   1HG   GLU  45          1HG       GLU  45  -6.284   4.799  -8.449
  347   2HG   GLU  45          2HG       GLU  45  -4.791   4.435  -9.311
  348    H    GLY  46           H        GLY  46  -3.077   3.512  -5.328
  349   1HA   GLY  46          1HA       GLY  46  -1.870   5.818  -6.430
  350   2HA   GLY  46          2HA       GLY  46  -2.446   6.180  -4.809
  351    H    LEU  47           H        LEU  47   0.234   6.284  -5.539
  352    HA   LEU  47           HA       LEU  47   1.692   3.963  -4.827
  353   1HB   LEU  47          1HB       LEU  47   2.261   6.780  -5.385
  354   2HB   LEU  47          2HB       LEU  47   3.370   6.035  -4.249
  355    HG   LEU  47           HG       LEU  47   3.071   4.212  -6.386
  356   1HD1  LEU  47          1HD1      LEU  47   4.166   6.536  -7.730
  357   2HD1  LEU  47          2HD1      LEU  47   2.454   6.725  -7.350
  358   3HD1  LEU  47          3HD1      LEU  47   2.998   5.343  -8.298
  359   1HD2  LEU  47          1HD2      LEU  47   5.155   4.082  -5.585
  360   2HD2  LEU  47          2HD2      LEU  47   5.160   5.764  -5.053
  361   3HD2  LEU  47          3HD2      LEU  47   5.511   5.370  -6.733
  362    H    ILE  48           H        ILE  48   2.921   3.607  -2.968
  363    HA   ILE  48           HA       ILE  48   2.129   5.008  -0.494
  364    HB   ILE  48           HB       ILE  48   2.343   2.004  -0.618
  365   1HG1  ILE  48          1HG1      ILE  48  -0.333   2.964  -0.164
  366   2HG1  ILE  48          2HG1      ILE  48   0.261   3.528  -1.716
  367   1HG2  ILE  48          1HG2      ILE  48   2.635   2.565   1.579
  368   2HG2  ILE  48          2HG2      ILE  48   0.880   2.396   1.518
  369   3HG2  ILE  48          3HG2      ILE  48   1.614   3.987   1.456
  370   1HD1  ILE  48          1HD1      ILE  48   1.010   0.948  -1.812
  371   2HD1  ILE  48          2HD1      ILE  48  -0.522   1.569  -2.428
  372   3HD1  ILE  48          3HD1      ILE  48  -0.442   0.839  -0.827
  373    HA   PRO  49           HA       PRO  49   6.464   4.645   0.197
  374   1HB   PRO  49          1HB       PRO  49   6.666   4.995   2.909
  375   2HB   PRO  49          2HB       PRO  49   6.309   6.339   1.826
  376   1HG   PRO  49          1HG       PRO  49   4.447   4.713   3.495
  377   2HG   PRO  49          2HG       PRO  49   4.441   6.458   3.192
  378   1HD   PRO  49          1HD       PRO  49   2.793   4.711   1.925
  379   2HD   PRO  49          2HD       PRO  49   3.325   6.226   1.200
  380    H    SER  50           H        SER  50   7.325   2.709  -0.052
  381    HA   SER  50           HA       SER  50   6.251   0.300   0.680
  382   1HB   SER  50          1HB       SER  50   8.305  -0.732   0.008
  383   2HB   SER  50          2HB       SER  50   8.046   0.676  -1.023
  384    HG   SER  50           HG       SER  50  10.183   0.165   0.327
  385    H    ASN  51           H        ASN  51   8.143   2.268   2.680
  386    HA   ASN  51           HA       ASN  51   8.929   0.284   4.590
  387   1HB   ASN  51          1HB       ASN  51   9.749   2.794   4.080
  388   2HB   ASN  51          2HB       ASN  51   8.694   3.106   5.454
  389   1HD2  ASN  51          1HD2      ASN  51  11.646   1.713   4.371
  390   2HD2  ASN  51          2HD2      ASN  51  12.284   1.321   5.929
  391    H    TYR  52           H        TYR  52   5.951   1.980   4.105
  392    HA   TYR  52           HA       TYR  52   5.126   1.569   6.891
  393   1HB   TYR  52          1HB       TYR  52   4.038   3.191   4.629
  394   2HB   TYR  52          2HB       TYR  52   3.023   2.799   6.011
  395    HD1  TYR  52           HD1      TYR  52   6.332   3.031   7.186
  396    HD2  TYR  52           HD2      TYR  52   3.087   5.460   5.891
  397    HE1  TYR  52           HE1      TYR  52   7.274   4.938   8.418
  398    HE2  TYR  52           HE2      TYR  52   4.021   7.374   7.117
  399    HH   TYR  52           HH       TYR  52   7.015   7.064   9.028
  400    H    ILE  53           H        ILE  53   5.138  -0.467   4.348
  401    HA   ILE  53           HA       ILE  53   2.740  -1.821   5.332
  402    HB   ILE  53           HB       ILE  53   2.082  -2.379   2.957
  403   1HG1  ILE  53          1HG1      ILE  53   2.867  -0.219   1.505
  404   2HG1  ILE  53          2HG1      ILE  53   4.311  -0.501   2.471
  405   1HG2  ILE  53          1HG2      ILE  53   0.529  -0.754   3.037
  406   2HG2  ILE  53          2HG2      ILE  53   1.727   0.533   3.163
  407   3HG2  ILE  53          3HG2      ILE  53   1.273  -0.391   4.593
  408   1HD1  ILE  53          1HD1      ILE  53   3.043  -2.791   1.058
  409   2HD1  ILE  53          2HD1      ILE  53   4.731  -2.527   1.494
  410   3HD1  ILE  53          3HD1      ILE  53   4.019  -1.638   0.147
  411    H    GLU  54           H        GLU  54   2.557  -4.061   4.162
  412    HA   GLU  54           HA       GLU  54   5.106  -5.160   3.343
  413   1HB   GLU  54          1HB       GLU  54   5.286  -6.815   5.093
  414   2HB   GLU  54          2HB       GLU  54   5.263  -5.209   5.808
  415   1HG   GLU  54          1HG       GLU  54   2.648  -5.795   5.901
  416   2HG   GLU  54          2HG       GLU  54   3.332  -7.415   6.027
  417    H    MET  55           H        MET  55   4.960  -7.118   2.288
  418    HA   MET  55           HA       MET  55   2.511  -7.696   1.023
  419   1HB   MET  55          1HB       MET  55   5.229  -8.441   0.734
  420   2HB   MET  55          2HB       MET  55   4.294  -9.926   0.829
  421   1HG   MET  55          1HG       MET  55   2.862  -8.269  -0.895
  422   2HG   MET  55          2HG       MET  55   4.554  -8.053  -1.337
  423   1HE   MET  55          1HE       MET  55   4.144  -8.647  -3.443
  424   2HE   MET  55          2HE       MET  55   3.168  -9.999  -4.016
  425   3HE   MET  55          3HE       MET  55   4.915 -10.180  -3.849
  426    H    LYS  56           H        LYS  56   0.981  -9.216   1.348
  427    HA   LYS  56           HA       LYS  56   1.359 -11.373   3.217
  428   1HB   LYS  56          1HB       LYS  56  -0.647  -9.197   3.853
  429   2HB   LYS  56          2HB       LYS  56  -0.480 -10.715   4.724
  430   1HG   LYS  56          1HG       LYS  56   1.730  -8.695   4.504
  431   2HG   LYS  56          2HG       LYS  56   0.561  -8.745   5.803
  432   1HD   LYS  56          1HD       LYS  56   1.696 -11.346   5.379
  433   2HD   LYS  56          2HD       LYS  56   2.956 -10.146   5.669
  434   1HE   LYS  56          1HE       LYS  56   0.830  -9.676   7.504
  435   2HE   LYS  56          2HE       LYS  56   1.227 -11.392   7.547
  436   1HZ   LYS  56          1HZ       LYS  56   3.598 -10.691   7.809
  437   2HZ   LYS  56          2HZ       LYS  56   2.598 -10.317   9.121
  438   3HZ   LYS  56          3HZ       LYS  56   3.049  -9.105   8.031
  439    H    ASN  57           H        ASN  57  -1.739 -11.318   3.566
  440    HA   ASN  57           HA       ASN  57  -2.616 -11.867   0.863
  441   1HB   ASN  57          1HB       ASN  57  -3.446 -14.163   1.541
  442   2HB   ASN  57          2HB       ASN  57  -1.707 -14.001   1.309
  443   1HD2  ASN  57          1HD2      ASN  57  -4.220 -13.934   3.787
  444   2HD2  ASN  57          2HD2      ASN  57  -3.239 -14.588   5.049
  445    H    HIS  58           H        HIS  58  -3.258 -10.295   3.506
  446    HA   HIS  58           HA       HIS  58  -5.060  -9.377   4.434
  447   1HB   HIS  58          1HB       HIS  58  -5.901  -9.126   2.126
  448   2HB   HIS  58          2HB       HIS  58  -6.645 -10.713   2.225
  449    HD1  HIS  58           HD1      HIS  58  -6.825  -7.951   4.828
  450    HD2  HIS  58           HD2      HIS  58  -9.279 -10.048   2.217
  451    HE1  HIS  58           HE1      HIS  58  -9.168  -7.228   5.381
  452    HE2  HIS  58           HE2      HIS  58 -10.640  -8.609   3.876
  453    H    ASP  59           H        ASP  59  -7.760 -11.082   4.161
  454    HA   ASP  59           HA       ASP  59  -8.887 -12.548   5.458
  455   1HB   ASP  59          1HB       ASP  59  -6.146 -13.743   5.463
  456   2HB   ASP  59          2HB       ASP  59  -7.347 -14.370   6.586
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1   0.671  -9.762  -2.971
    2   2H    MET   1          2H        MET   1   1.434  -9.791  -4.496
    3   3H    MET   1          3H        MET   1   0.279 -10.972  -4.099
    4    HA   MET   1           HA       MET   1  -0.048  -8.341  -5.084
    5   1HB   MET   1          1HB       MET   1  -2.291 -10.294  -4.846
    6   2HB   MET   1          2HB       MET   1  -1.842  -9.284  -6.208
    7   1HG   MET   1          1HG       MET   1  -0.023 -10.808  -6.760
    8   2HG   MET   1          2HG       MET   1  -0.436 -11.807  -5.377
    9   1HE   MET   1          1HE       MET   1  -0.815 -14.004  -6.402
   10   2HE   MET   1          2HE       MET   1  -2.423 -14.416  -6.999
   11   3HE   MET   1          3HE       MET   1  -2.234 -13.688  -5.403
   12    H    GLU   2           H        GLU   2  -0.602  -9.653  -2.033
   13    HA   GLU   2           HA       GLU   2  -2.392  -7.410  -1.505
   14   1HB   GLU   2          1HB       GLU   2  -2.679 -10.233  -0.624
   15   2HB   GLU   2          2HB       GLU   2  -3.117  -8.983   0.534
   16   1HG   GLU   2          1HG       GLU   2  -4.739  -8.072  -0.970
   17   2HG   GLU   2          2HG       GLU   2  -4.203  -9.142  -2.264
   18    H    ALA   3           H        ALA   3  -2.021  -6.288   0.449
   19    HA   ALA   3           HA       ALA   3   0.181  -7.178   2.168
   20   1HB   ALA   3          1HB       ALA   3   0.246  -4.327   1.379
   21   2HB   ALA   3          2HB       ALA   3   0.846  -5.504   0.210
   22   3HB   ALA   3          3HB       ALA   3   1.561  -5.413   1.820
   23    H    ILE   4           H        ILE   4   0.402  -6.017   4.101
   24    HA   ILE   4           HA       ILE   4  -2.135  -4.790   4.983
   25    HB   ILE   4           HB       ILE   4  -1.833  -7.039   5.960
   26   1HG1  ILE   4          1HG1      ILE   4  -1.625  -5.856   8.469
   27   2HG1  ILE   4          2HG1      ILE   4  -2.217  -4.562   7.430
   28   1HG2  ILE   4          1HG2      ILE   4   0.230  -7.680   6.463
   29   2HG2  ILE   4          2HG2      ILE   4   0.061  -6.727   7.936
   30   3HG2  ILE   4          3HG2      ILE   4   0.825  -6.023   6.514
   31   1HD1  ILE   4          1HD1      ILE   4  -4.122  -5.825   6.806
   32   2HD1  ILE   4          2HD1      ILE   4  -3.976  -5.942   8.561
   33   3HD1  ILE   4          3HD1      ILE   4  -3.471  -7.290   7.542
   34    H    ALA   5           H        ALA   5  -2.060  -2.934   6.107
   35    HA   ALA   5           HA       ALA   5   0.321  -1.388   6.107
   36   1HB   ALA   5          1HB       ALA   5  -2.383  -0.951   7.340
   37   2HB   ALA   5          2HB       ALA   5  -1.746  -0.264   5.848
   38   3HB   ALA   5          3HB       ALA   5  -1.081   0.236   7.403
   39    H    LYS   6           H        LYS   6   1.931  -1.355   7.496
   40    HA   LYS   6           HA       LYS   6   1.569  -2.622  10.129
   41   1HB   LYS   6          1HB       LYS   6   3.665  -2.768   8.440
   42   2HB   LYS   6          2HB       LYS   6   4.175  -1.403   9.422
   43   1HG   LYS   6          1HG       LYS   6   5.111  -3.330  10.407
   44   2HG   LYS   6          2HG       LYS   6   3.769  -2.843  11.444
   45   1HD   LYS   6          1HD       LYS   6   2.474  -4.529   9.807
   46   2HD   LYS   6          2HD       LYS   6   4.088  -5.235   9.737
   47   1HE   LYS   6          1HE       LYS   6   2.693  -4.602  12.320
   48   2HE   LYS   6          2HE       LYS   6   2.560  -6.162  11.507
   49   1HZ   LYS   6          1HZ       LYS   6   4.420  -6.741  12.530
   50   2HZ   LYS   6          2HZ       LYS   6   4.654  -5.183  13.144
   51   3HZ   LYS   6          3HZ       LYS   6   5.257  -5.588  11.617
   52    H    HIS   7           H        HIS   7   1.687   0.431   8.673
   53    HA   HIS   7           HA       HIS   7   1.152   1.700  11.195
   54   1HB   HIS   7          1HB       HIS   7   3.592   2.435   9.580
   55   2HB   HIS   7          2HB       HIS   7   2.898   3.476  10.820
   56    HD1  HIS   7           HD1      HIS   7   2.799   2.324  13.287
   57    HD2  HIS   7           HD2      HIS   7   5.362   0.606  10.511
   58    HE1  HIS   7           HE1      HIS   7   4.337   0.853  14.619
   59    HE2  HIS   7           HE2      HIS   7   5.813  -0.257  12.907
   60    H    ASP   8           H        ASP   8   0.934   4.166  10.734
   61    HA   ASP   8           HA       ASP   8  -1.141   4.273   8.739
   62   1HB   ASP   8          1HB       ASP   8  -1.496   6.607   9.628
   63   2HB   ASP   8          2HB       ASP   8  -1.608   5.337  10.843
   64    H    PHE   9           H        PHE   9  -1.244   5.664   6.901
   65    HA   PHE   9           HA       PHE   9   1.262   7.028   6.271
   66   1HB   PHE   9          1HB       PHE   9   1.649   5.089   5.035
   67   2HB   PHE   9          2HB       PHE   9  -0.049   4.909   4.608
   68    HD1  PHE   9           HD1      PHE   9   2.194   7.870   4.252
   69    HD2  PHE   9           HD2      PHE   9  -0.105   4.878   2.286
   70    HE1  PHE   9           HE1      PHE   9   2.625   8.961   2.085
   71    HE2  PHE   9           HE2      PHE   9   0.324   5.963   0.127
   72    HZ   PHE   9           HZ       PHE   9   1.690   7.999   0.019
   73    H    SER  10           H        SER  10   0.972   8.982   5.596
   74    HA   SER  10           HA       SER  10  -1.483   9.712   4.133
   75   1HB   SER  10          1HB       SER  10   0.178  11.416   6.041
   76   2HB   SER  10          2HB       SER  10  -1.160  12.021   5.066
   77    HG   SER  10           HG       SER  10  -1.998   9.893   6.453
   78    H    ALA  11           H        ALA  11  -1.225  10.422   2.213
   79    HA   ALA  11           HA       ALA  11   1.041  10.031   0.730
   80   1HB   ALA  11          1HB       ALA  11  -1.150  10.200  -0.230
   81   2HB   ALA  11          2HB       ALA  11  -0.057  11.350  -1.000
   82   3HB   ALA  11          3HB       ALA  11  -1.233  11.912   0.184
   83    H    THR  12           H        THR  12   2.741  11.086   0.108
   84    HA   THR  12           HA       THR  12   3.161  13.801   1.127
   85    HB   THR  12           HB       THR  12   4.945  11.405   0.892
   86    HG1  THR  12           HG1      THR  12   5.696  12.525   2.905
   87   1HG2  THR  12          1HG2      THR  12   5.890  13.886  -0.098
   88   2HG2  THR  12          2HG2      THR  12   6.793  12.417   0.239
   89   3HG2  THR  12          3HG2      THR  12   6.604  13.641   1.490
   90    H    ALA  13           H        ALA  13   2.334  12.232  -1.568
   91    HA   ALA  13           HA       ALA  13   2.981  14.532  -3.190
   92   1HB   ALA  13          1HB       ALA  13   3.978  13.232  -5.007
   93   2HB   ALA  13          2HB       ALA  13   3.923  11.785  -4.008
   94   3HB   ALA  13          3HB       ALA  13   4.958  13.131  -3.546
   95    H    ASP  14           H        ASP  14   1.839  14.392  -5.277
   96    HA   ASP  14           HA       ASP  14  -0.804  13.591  -4.900
   97   1HB   ASP  14          1HB       ASP  14  -1.096  14.280  -7.303
   98   2HB   ASP  14          2HB       ASP  14  -0.369  15.517  -6.283
   99    H    ASP  15           H        ASP  15  -1.969  12.034  -5.915
  100    HA   ASP  15           HA       ASP  15  -2.415  10.151  -7.264
  101   1HB   ASP  15          1HB       ASP  15   0.255  10.820  -8.115
  102   2HB   ASP  15          2HB       ASP  15   0.116   9.081  -7.897
  103    H    GLU  16           H        GLU  16  -1.257  10.385  -4.372
  104    HA   GLU  16           HA       GLU  16  -0.417   7.615  -3.931
  105   1HB   GLU  16          1HB       GLU  16   0.070  10.183  -2.606
  106   2HB   GLU  16          2HB       GLU  16  -0.210   8.830  -1.516
  107   1HG   GLU  16          1HG       GLU  16   2.074   8.794  -1.783
  108   2HG   GLU  16          2HG       GLU  16   1.531   7.608  -2.957
  109    H    LEU  17           H        LEU  17  -1.183   6.562  -1.950
  110    HA   LEU  17           HA       LEU  17  -4.036   7.141  -1.490
  111   1HB   LEU  17          1HB       LEU  17  -3.707   5.132  -2.825
  112   2HB   LEU  17          2HB       LEU  17  -2.645   4.474  -1.595
  113    HG   LEU  17           HG       LEU  17  -5.220   5.182  -0.478
  114   1HD1  LEU  17          1HD1      LEU  17  -5.526   2.846  -2.243
  115   2HD1  LEU  17          2HD1      LEU  17  -5.542   4.412  -3.049
  116   3HD1  LEU  17          3HD1      LEU  17  -6.700   4.070  -1.765
  117   1HD2  LEU  17          1HD2      LEU  17  -5.033   2.933   0.400
  118   2HD2  LEU  17          2HD2      LEU  17  -3.494   3.761   0.544
  119   3HD2  LEU  17          3HD2      LEU  17  -3.738   2.574  -0.735
  120    H    SER  18           H        SER  18  -4.746   7.271   0.559
  121    HA   SER  18           HA       SER  18  -2.759   7.109   2.689
  122   1HB   SER  18          1HB       SER  18  -5.532   8.259   2.517
  123   2HB   SER  18          2HB       SER  18  -4.771   7.976   4.082
  124    HG   SER  18           HG       SER  18  -3.735   9.573   1.973
  125    H    PHE  19           H        PHE  19  -3.120   5.884   4.649
  126    HA   PHE  19           HA       PHE  19  -5.304   4.060   4.819
  127   1HB   PHE  19          1HB       PHE  19  -4.164   1.977   4.488
  128   2HB   PHE  19          2HB       PHE  19  -3.896   2.975   3.065
  129    HD1  PHE  19           HD1      PHE  19  -1.735   3.427   2.322
  130    HD2  PHE  19           HD2      PHE  19  -2.326   1.849   6.229
  131    HE1  PHE  19           HE1      PHE  19   0.689   3.060   2.536
  132    HE2  PHE  19           HE2      PHE  19   0.098   1.482   6.447
  133    HZ   PHE  19           HZ       PHE  19   1.608   2.089   4.603
  134    H    ARG  20           H        ARG  20  -5.205   2.630   6.690
  135    HA   ARG  20           HA       ARG  20  -3.469   3.723   8.811
  136   1HB   ARG  20          1HB       ARG  20  -5.642   4.525   9.227
  137   2HB   ARG  20          2HB       ARG  20  -6.386   2.998   8.790
  138   1HG   ARG  20          1HG       ARG  20  -4.622   2.733  11.079
  139   2HG   ARG  20          2HG       ARG  20  -5.885   3.929  11.338
  140   1HD   ARG  20          1HD       ARG  20  -7.581   2.296  10.718
  141   2HD   ARG  20          2HD       ARG  20  -6.329   1.094  10.407
  142    HE   ARG  20           HE       ARG  20  -5.959   1.918  13.011
  143   1HH1  ARG  20          1HH1      ARG  20  -8.518   0.433  11.163
  144   2HH1  ARG  20          2HH1      ARG  20  -9.162  -0.433  12.516
  145   1HH2  ARG  20          1HH2      ARG  20  -6.805   0.779  14.794
  146   2HH2  ARG  20          2HH2      ARG  20  -8.191  -0.237  14.578
  147    H    LYS  21           H        LYS  21  -2.954   2.313  10.571
  148    HA   LYS  21           HA       LYS  21  -1.924  -0.157   9.890
  149   1HB   LYS  21          1HB       LYS  21  -2.809   0.259  12.707
  150   2HB   LYS  21          2HB       LYS  21  -1.326  -0.452  12.094
  151   1HG   LYS  21          1HG       LYS  21  -0.398   1.670  11.630
  152   2HG   LYS  21          2HG       LYS  21  -1.939   2.483  11.867
  153   1HD   LYS  21          1HD       LYS  21  -1.669   2.591  14.084
  154   2HD   LYS  21          2HD       LYS  21  -1.091   0.926  14.182
  155   1HE   LYS  21          1HE       LYS  21   1.110   1.532  13.835
  156   2HE   LYS  21          2HE       LYS  21   0.677   3.049  13.048
  157   1HZ   LYS  21          1HZ       LYS  21   0.733   4.114  14.980
  158   2HZ   LYS  21          2HZ       LYS  21   1.442   2.733  15.654
  159   3HZ   LYS  21          3HZ       LYS  21  -0.231   2.956  15.751
  160    H    GLY  22           H        GLY  22  -2.613  -2.173   9.778
  161   1HA   GLY  22          1HA       GLY  22  -3.941  -4.028  10.275
  162   2HA   GLY  22          2HA       GLY  22  -5.131  -2.961  11.000
  163    H    GLN  23           H        GLN  23  -4.607  -1.434   8.201
  164    HA   GLN  23           HA       GLN  23  -6.992  -2.495   7.035
  165   1HB   GLN  23          1HB       GLN  23  -6.315  -0.075   7.024
  166   2HB   GLN  23          2HB       GLN  23  -5.077  -0.496   5.851
  167   1HG   GLN  23          1HG       GLN  23  -6.569  -0.105   4.276
  168   2HG   GLN  23          2HG       GLN  23  -7.407  -1.557   4.796
  169   1HE2  GLN  23          1HE2      GLN  23  -7.304   1.917   5.019
  170   2HE2  GLN  23          2HE2      GLN  23  -8.913   2.119   5.614
  171    H    ILE  24           H        ILE  24  -7.216  -3.215   4.798
  172    HA   ILE  24           HA       ILE  24  -4.895  -4.786   3.976
  173    HB   ILE  24           HB       ILE  24  -6.996  -5.989   4.392
  174   1HG1  ILE  24          1HG1      ILE  24  -6.989  -6.652   1.644
  175   2HG1  ILE  24          2HG1      ILE  24  -5.352  -6.142   2.046
  176   1HG2  ILE  24          1HG2      ILE  24  -8.576  -4.277   3.721
  177   2HG2  ILE  24          2HG2      ILE  24  -8.876  -5.783   2.856
  178   3HG2  ILE  24          3HG2      ILE  24  -8.072  -4.447   2.042
  179   1HD1  ILE  24          1HD1      ILE  24  -5.124  -8.295   2.633
  180   2HD1  ILE  24          2HD1      ILE  24  -6.854  -8.522   2.889
  181   3HD1  ILE  24          3HD1      ILE  24  -5.871  -7.752   4.135
  182    H    LEU  25           H        LEU  25  -3.628  -3.779   2.588
  183    HA   LEU  25           HA       LEU  25  -4.762  -2.044   0.518
  184   1HB   LEU  25          1HB       LEU  25  -2.054  -2.454   1.705
  185   2HB   LEU  25          2HB       LEU  25  -2.151  -1.842   0.066
  186    HG   LEU  25           HG       LEU  25  -3.357  -0.544   2.506
  187   1HD1  LEU  25          1HD1      LEU  25  -1.374   0.914   0.947
  188   2HD1  LEU  25          2HD1      LEU  25  -0.732  -0.548   1.700
  189   3HD1  LEU  25          3HD1      LEU  25  -1.507   0.686   2.690
  190   1HD2  LEU  25          1HD2      LEU  25  -3.661  -0.091  -0.391
  191   2HD2  LEU  25          2HD2      LEU  25  -3.411   1.331   0.616
  192   3HD2  LEU  25          3HD2      LEU  25  -4.761   0.252   0.942
  193    H    LYS  26           H        LYS  26  -4.811  -2.609  -1.615
  194    HA   LYS  26           HA       LYS  26  -3.888  -5.285  -2.308
  195   1HB   LYS  26          1HB       LYS  26  -6.177  -4.746  -2.882
  196   2HB   LYS  26          2HB       LYS  26  -5.658  -3.309  -3.723
  197   1HG   LYS  26          1HG       LYS  26  -5.835  -4.554  -5.558
  198   2HG   LYS  26          2HG       LYS  26  -4.278  -5.224  -5.065
  199   1HD   LYS  26          1HD       LYS  26  -5.689  -6.878  -3.677
  200   2HD   LYS  26          2HD       LYS  26  -7.028  -6.361  -4.704
  201   1HE   LYS  26          1HE       LYS  26  -6.224  -7.441  -6.513
  202   2HE   LYS  26          2HE       LYS  26  -4.547  -7.062  -6.119
  203   1HZ   LYS  26          1HZ       LYS  26  -4.328  -8.917  -4.844
  204   2HZ   LYS  26          2HZ       LYS  26  -5.465  -9.495  -5.955
  205   3HZ   LYS  26          3HZ       LYS  26  -5.965  -8.979  -4.422
  206    H    ILE  27           H        ILE  27  -2.095  -5.623  -3.453
  207    HA   ILE  27           HA       ILE  27  -0.655  -3.355  -4.577
  208    HB   ILE  27           HB       ILE  27   0.302  -6.197  -4.675
  209   1HG1  ILE  27          1HG1      ILE  27   1.063  -4.460  -2.368
  210   2HG1  ILE  27          2HG1      ILE  27  -0.487  -5.292  -2.301
  211   1HG2  ILE  27          1HG2      ILE  27   1.878  -3.671  -4.281
  212   2HG2  ILE  27          2HG2      ILE  27   1.459  -4.295  -5.876
  213   3HG2  ILE  27          3HG2      ILE  27   2.458  -5.257  -4.786
  214   1HD1  ILE  27          1HD1      ILE  27   0.865  -6.815  -1.278
  215   2HD1  ILE  27          2HD1      ILE  27   2.265  -6.405  -2.267
  216   3HD1  ILE  27          3HD1      ILE  27   0.959  -7.376  -2.947
  217    H    LEU  28           H        LEU  28  -0.854  -2.803  -6.604
  218    HA   LEU  28           HA       LEU  28  -1.804  -4.758  -8.591
  219   1HB   LEU  28          1HB       LEU  28  -1.636  -2.023  -9.563
  220   2HB   LEU  28          2HB       LEU  28  -2.965  -3.157  -9.629
  221    HG   LEU  28           HG       LEU  28  -3.733  -1.234  -8.494
  222   1HD1  LEU  28          1HD1      LEU  28  -3.282  -2.784  -6.064
  223   2HD1  LEU  28          2HD1      LEU  28  -3.898  -3.715  -7.425
  224   3HD1  LEU  28          3HD1      LEU  28  -4.782  -2.302  -6.850
  225   1HD2  LEU  28          1HD2      LEU  28  -1.233  -1.446  -6.860
  226   2HD2  LEU  28          2HD2      LEU  28  -2.613  -0.482  -6.367
  227   3HD2  LEU  28          3HD2      LEU  28  -1.771  -0.111  -7.866
  228    H    ASN  29           H        ASN  29   0.667  -2.365  -7.895
  229    HA   ASN  29           HA       ASN  29   2.500  -3.738  -9.688
  230   1HB   ASN  29          1HB       ASN  29   3.216  -1.426 -10.595
  231   2HB   ASN  29          2HB       ASN  29   1.834  -2.255 -11.301
  232   1HD2  ASN  29          1HD2      ASN  29   2.679   0.615 -11.023
  233   2HD2  ASN  29          2HD2      ASN  29   1.269   1.406 -10.420
  234    H    MET  30           H        MET  30   4.599  -3.653  -8.925
  235    HA   MET  30           HA       MET  30   4.996  -2.250  -6.401
  236   1HB   MET  30          1HB       MET  30   6.330  -3.956  -5.824
  237   2HB   MET  30          2HB       MET  30   5.683  -4.770  -7.235
  238   1HG   MET  30          1HG       MET  30   7.842  -3.222  -8.157
  239   2HG   MET  30          2HG       MET  30   8.373  -3.979  -6.660
  240   1HE   MET  30          1HE       MET  30   6.424  -4.438  -9.796
  241   2HE   MET  30          2HE       MET  30   6.681  -6.104 -10.314
  242   3HE   MET  30          3HE       MET  30   7.915  -4.883 -10.626
  243    H    GLU  31           H        GLU  31   5.331  -1.448  -9.515
  244    HA   GLU  31           HA       GLU  31   6.239   0.336 -10.507
  245   1HB   GLU  31          1HB       GLU  31   6.336   1.272  -8.133
  246   2HB   GLU  31          2HB       GLU  31   8.028   0.797  -8.137
  247   1HG   GLU  31          1HG       GLU  31   8.555   2.682  -9.164
  248   2HG   GLU  31          2HG       GLU  31   7.546   2.224 -10.533
  249    H    ASP  32           H        ASP  32   9.217   0.767  -9.525
  250    HA   ASP  32           HA       ASP  32  10.316  -1.226 -11.314
  251   1HB   ASP  32          1HB       ASP  32  12.285   0.267 -11.680
  252   2HB   ASP  32          2HB       ASP  32  10.761   0.947 -12.241
  253    H    ASP  33           H        ASP  33   9.817  -1.257  -8.284
  254    HA   ASP  33           HA       ASP  33  10.708  -2.627  -6.698
  255   1HB   ASP  33          1HB       ASP  33  11.984  -3.585  -8.876
  256   2HB   ASP  33          2HB       ASP  33  13.362  -2.924  -8.000
  257    H    SER  34           H        SER  34  10.637  -0.372  -5.803
  258    HA   SER  34           HA       SER  34  13.233   0.230  -4.693
  259   1HB   SER  34          1HB       SER  34  11.932   1.934  -6.731
  260   2HB   SER  34          2HB       SER  34  12.610   2.791  -5.354
  261    HG   SER  34           HG       SER  34  14.281   2.617  -6.718
  262    H    ASN  35           H        ASN  35  12.082   2.957  -4.032
  263    HA   ASN  35           HA       ASN  35  11.089   2.173  -1.437
  264   1HB   ASN  35          1HB       ASN  35  11.530   4.312  -0.695
  265   2HB   ASN  35          2HB       ASN  35  12.762   4.026  -1.914
  266   1HD2  ASN  35          1HD2      ASN  35  12.013   4.750  -4.192
  267   2HD2  ASN  35          2HD2      ASN  35  11.315   6.325  -4.252
  268    H    TRP  36           H        TRP  36   9.507   3.484  -4.302
  269    HA   TRP  36           HA       TRP  36   7.084   3.790  -2.648
  270   1HB   TRP  36          1HB       TRP  36   7.763   4.983  -5.342
  271   2HB   TRP  36          2HB       TRP  36   6.196   5.137  -4.553
  272    HD1  TRP  36           HD1      TRP  36   9.605   6.652  -4.649
  273    HE1  TRP  36           HE1      TRP  36   9.770   8.560  -2.933
  274    HE3  TRP  36           HE3      TRP  36   5.252   5.822  -2.110
  275    HZ2  TRP  36           HZ2      TRP  36   8.243   9.586  -0.787
  276    HZ3  TRP  36           HZ3      TRP  36   4.673   7.314  -0.240
  277    HH2  TRP  36           HH2      TRP  36   6.138   9.157   0.406
  278    H    TYR  37           H        TYR  37   5.351   2.479  -3.040
  279    HA   TYR  37           HA       TYR  37   5.415   0.727  -5.416
  280   1HB   TYR  37          1HB       TYR  37   4.728   0.139  -2.546
  281   2HB   TYR  37          2HB       TYR  37   4.014  -0.820  -3.832
  282    HD1  TYR  37           HD1      TYR  37   7.367   0.357  -4.477
  283    HD2  TYR  37           HD2      TYR  37   5.116  -2.763  -2.677
  284    HE1  TYR  37           HE1      TYR  37   9.359  -1.064  -4.492
  285    HE2  TYR  37           HE2      TYR  37   7.111  -4.204  -2.688
  286    HH   TYR  37           HH       TYR  37   9.269  -4.380  -3.248
  287    H    ARG  38           H        ARG  38   3.179  -0.050  -6.081
  288    HA   ARG  38           HA       ARG  38   1.244   2.111  -5.604
  289   1HB   ARG  38          1HB       ARG  38   2.069   0.690  -8.028
  290   2HB   ARG  38          2HB       ARG  38   0.325   0.773  -7.848
  291   1HG   ARG  38          1HG       ARG  38   2.114   3.160  -7.681
  292   2HG   ARG  38          2HG       ARG  38   1.378   2.617  -9.175
  293   1HD   ARG  38          1HD       ARG  38  -0.848   2.825  -8.089
  294   2HD   ARG  38          2HD       ARG  38  -0.049   3.515  -6.678
  295    HE   ARG  38           HE       ARG  38   0.187   5.494  -7.814
  296   1HH1  ARG  38          1HH1      ARG  38  -0.698   2.982 -10.066
  297   2HH1  ARG  38          2HH1      ARG  38  -0.968   4.080 -11.378
  298   1HH2  ARG  38          1HH2      ARG  38  -0.169   6.941  -9.537
  299   2HH2  ARG  38          2HH2      ARG  38  -0.666   6.327 -11.079
  300    H    ALA  39           H        ALA  39  -0.605   1.714  -4.608
  301    HA   ALA  39           HA       ALA  39  -1.762  -0.967  -4.776
  302   1HB   ALA  39          1HB       ALA  39  -0.706   0.256  -2.306
  303   2HB   ALA  39          2HB       ALA  39  -0.804  -1.437  -2.787
  304   3HB   ALA  39          3HB       ALA  39  -2.239  -0.605  -2.187
  305    H    GLU  40           H        GLU  40  -4.002  -1.074  -3.972
  306    HA   GLU  40           HA       GLU  40  -5.382   1.526  -4.227
  307   1HB   GLU  40          1HB       GLU  40  -7.313   0.354  -5.111
  308   2HB   GLU  40          2HB       GLU  40  -5.902  -0.086  -6.064
  309   1HG   GLU  40          1HG       GLU  40  -6.426  -2.201  -5.729
  310   2HG   GLU  40          2HG       GLU  40  -6.006  -1.964  -4.037
  311    H    LEU  41           H        LEU  41  -7.214   1.889  -2.863
  312    HA   LEU  41           HA       LEU  41  -7.836  -0.015  -0.762
  313   1HB   LEU  41          1HB       LEU  41  -6.124   1.019   0.404
  314   2HB   LEU  41          2HB       LEU  41  -6.407   2.557  -0.359
  315    HG   LEU  41           HG       LEU  41  -8.529   1.619   1.475
  316   1HD1  LEU  41          1HD1      LEU  41  -5.759   1.727   2.277
  317   2HD1  LEU  41          2HD1      LEU  41  -7.179   1.261   3.210
  318   3HD1  LEU  41          3HD1      LEU  41  -6.703   2.955   3.123
  319   1HD2  LEU  41          1HD2      LEU  41  -7.718   4.218   2.054
  320   2HD2  LEU  41          2HD2      LEU  41  -9.089   3.740   1.053
  321   3HD2  LEU  41          3HD2      LEU  41  -7.528   4.073   0.307
  322    H    ASP  42           H        ASP  42  -9.905   0.071  -0.299
  323    HA   ASP  42           HA       ASP  42 -12.102   0.574  -0.467
  324   1HB   ASP  42          1HB       ASP  42 -10.827   3.148   0.277
  325   2HB   ASP  42          2HB       ASP  42 -12.498   3.216  -0.277
  326    H    GLY  43           H        GLY  43 -10.715   0.293  -2.950
  327   1HA   GLY  43          1HA       GLY  43 -11.396   0.414  -5.174
  328   2HA   GLY  43          2HA       GLY  43 -12.682   1.504  -4.681
  329    H    LYS  44           H        LYS  44  -9.617   2.456  -3.594
  330    HA   LYS  44           HA       LYS  44  -9.380   4.411  -5.797
  331   1HB   LYS  44          1HB       LYS  44 -10.050   5.439  -3.661
  332   2HB   LYS  44          2HB       LYS  44  -8.679   4.686  -2.858
  333   1HG   LYS  44          1HG       LYS  44  -7.222   6.219  -3.623
  334   2HG   LYS  44          2HG       LYS  44  -8.014   6.346  -5.192
  335   1HD   LYS  44          1HD       LYS  44  -9.339   8.052  -4.533
  336   2HD   LYS  44          2HD       LYS  44  -9.550   7.398  -2.907
  337   1HE   LYS  44          1HE       LYS  44  -7.036   8.739  -3.894
  338   2HE   LYS  44          2HE       LYS  44  -8.309   9.556  -2.991
  339   1HZ   LYS  44          1HZ       LYS  44  -6.856   7.179  -1.975
  340   2HZ   LYS  44          2HZ       LYS  44  -7.899   8.192  -1.112
  341   3HZ   LYS  44          3HZ       LYS  44  -6.397   8.771  -1.631
  342    H    GLU  45           H        GLU  45  -7.310   4.707  -6.665
  343    HA   GLU  45           HA       GLU  45  -5.262   2.870  -5.637
  344   1HB   GLU  45          1HB       GLU  45  -4.582   2.394  -7.751
  345   2HB   GLU  45          2HB       GLU  45  -6.199   2.928  -8.171
  346   1HG   GLU  45          1HG       GLU  45  -4.789   5.271  -8.237
  347   2HG   GLU  45          2HG       GLU  45  -3.605   4.097  -8.806
  348    H    GLY  46           H        GLY  46  -3.009   3.621  -5.765
  349   1HA   GLY  46          1HA       GLY  46  -2.165   6.243  -5.979
  350   2HA   GLY  46          2HA       GLY  46  -2.844   6.089  -4.367
  351    H    LEU  47           H        LEU  47  -0.080   6.550  -5.330
  352    HA   LEU  47           HA       LEU  47   1.540   4.286  -4.783
  353   1HB   LEU  47          1HB       LEU  47   1.936   6.895  -5.665
  354   2HB   LEU  47          2HB       LEU  47   2.776   6.836  -4.127
  355    HG   LEU  47           HG       LEU  47   3.979   4.784  -4.981
  356   1HD1  LEU  47          1HD1      LEU  47   2.209   4.442  -6.761
  357   2HD1  LEU  47          2HD1      LEU  47   3.891   4.212  -7.241
  358   3HD1  LEU  47          3HD1      LEU  47   3.040   5.697  -7.672
  359   1HD2  LEU  47          1HD2      LEU  47   4.896   7.137  -4.985
  360   2HD2  LEU  47          2HD2      LEU  47   4.429   7.223  -6.684
  361   3HD2  LEU  47          3HD2      LEU  47   5.613   6.029  -6.155
  362    H    ILE  48           H        ILE  48   2.861   3.926  -2.945
  363    HA   ILE  48           HA       ILE  48   2.068   5.249  -0.451
  364    HB   ILE  48           HB       ILE  48   1.909   3.073   0.733
  365   1HG1  ILE  48          1HG1      ILE  48   1.894   1.931  -2.066
  366   2HG1  ILE  48          2HG1      ILE  48   3.216   1.771  -0.912
  367   1HG2  ILE  48          1HG2      ILE  48  -0.076   3.238  -1.529
  368   2HG2  ILE  48          2HG2      ILE  48  -0.103   4.305  -0.128
  369   3HG2  ILE  48          3HG2      ILE  48  -0.332   2.573   0.082
  370   1HD1  ILE  48          1HD1      ILE  48   0.496   0.544  -0.831
  371   2HD1  ILE  48          2HD1      ILE  48   1.483   0.693   0.616
  372   3HD1  ILE  48          3HD1      ILE  48   2.073  -0.238  -0.758
  373    HA   PRO  49           HA       PRO  49   6.368   4.884   0.290
  374   1HB   PRO  49          1HB       PRO  49   6.547   5.169   3.007
  375   2HB   PRO  49          2HB       PRO  49   6.187   6.523   1.930
  376   1HG   PRO  49          1HG       PRO  49   4.352   4.920   3.632
  377   2HG   PRO  49          2HG       PRO  49   4.293   6.639   3.225
  378   1HD   PRO  49          1HD       PRO  49   2.731   4.676   2.043
  379   2HD   PRO  49          2HD       PRO  49   3.098   6.249   1.334
  380    H    SER  50           H        SER  50   7.289   3.009   0.015
  381    HA   SER  50           HA       SER  50   6.304   0.548   0.655
  382   1HB   SER  50          1HB       SER  50   8.390  -0.382  -0.043
  383   2HB   SER  50          2HB       SER  50   8.084   1.051  -1.021
  384    HG   SER  50           HG       SER  50  10.053   0.570   0.855
  385    H    ASN  51           H        ASN  51   8.162   2.501   2.731
  386    HA   ASN  51           HA       ASN  51   8.934   0.449   4.581
  387   1HB   ASN  51          1HB       ASN  51   9.722   2.251   5.993
  388   2HB   ASN  51          2HB       ASN  51  10.198   2.554   4.326
  389   1HD2  ASN  51          1HD2      ASN  51   8.962   4.112   3.111
  390   2HD2  ASN  51          2HD2      ASN  51   8.182   5.412   3.937
  391    H    TYR  52           H        TYR  52   6.002   2.225   4.149
  392    HA   TYR  52           HA       TYR  52   5.161   1.766   6.920
  393   1HB   TYR  52          1HB       TYR  52   4.215   3.466   4.691
  394   2HB   TYR  52          2HB       TYR  52   2.996   2.891   5.819
  395    HD1  TYR  52           HD1      TYR  52   3.113   3.520   8.194
  396    HD2  TYR  52           HD2      TYR  52   5.826   5.125   5.343
  397    HE1  TYR  52           HE1      TYR  52   3.738   5.279   9.793
  398    HE2  TYR  52           HE2      TYR  52   6.458   6.895   6.929
  399    HH   TYR  52           HH       TYR  52   6.024   7.844   8.920
  400    H    ILE  53           H        ILE  53   5.250  -0.184   4.318
  401    HA   ILE  53           HA       ILE  53   2.774  -1.514   5.157
  402    HB   ILE  53           HB       ILE  53   2.195  -2.131   2.928
  403   1HG1  ILE  53          1HG1      ILE  53   4.471  -0.526   1.789
  404   2HG1  ILE  53          2HG1      ILE  53   4.686  -2.227   2.189
  405   1HG2  ILE  53          1HG2      ILE  53   2.899   0.790   2.841
  406   2HG2  ILE  53          2HG2      ILE  53   1.565   0.127   3.785
  407   3HG2  ILE  53          3HG2      ILE  53   1.565  -0.029   2.033
  408   1HD1  ILE  53          1HD1      ILE  53   3.714  -1.177  -0.181
  409   2HD1  ILE  53          2HD1      ILE  53   2.292  -1.822   0.641
  410   3HD1  ILE  53          3HD1      ILE  53   3.679  -2.865   0.327
  411    H    GLU  54           H        GLU  54   2.700  -3.776   4.751
  412    HA   GLU  54           HA       GLU  54   5.358  -5.024   4.553
  413   1HB   GLU  54          1HB       GLU  54   3.067  -5.997   6.264
  414   2HB   GLU  54          2HB       GLU  54   4.693  -6.666   6.198
  415   1HG   GLU  54          1HG       GLU  54   4.254  -3.825   6.990
  416   2HG   GLU  54          2HG       GLU  54   4.020  -5.129   8.142
  417    H    MET  55           H        MET  55   5.197  -5.597   2.437
  418    HA   MET  55           HA       MET  55   2.979  -6.471   1.096
  419   1HB   MET  55          1HB       MET  55   4.368  -6.780  -0.637
  420   2HB   MET  55          2HB       MET  55   5.566  -6.071   0.422
  421   1HG   MET  55          1HG       MET  55   5.311  -8.993   0.632
  422   2HG   MET  55          2HG       MET  55   5.863  -8.390  -0.923
  423   1HE   MET  55          1HE       MET  55   8.660  -9.609   1.959
  424   2HE   MET  55          2HE       MET  55   7.182 -10.255   1.247
  425   3HE   MET  55          3HE       MET  55   7.102  -9.293   2.722
  426    H    LYS  56           H        LYS  56   1.670  -8.078   1.311
  427    HA   LYS  56           HA       LYS  56   2.464 -10.343   2.956
  428   1HB   LYS  56          1HB       LYS  56   0.350  -9.025   3.397
  429   2HB   LYS  56          2HB       LYS  56  -0.305  -9.720   1.927
  430   1HG   LYS  56          1HG       LYS  56  -1.027 -11.421   3.131
  431   2HG   LYS  56          2HG       LYS  56   0.652 -11.893   3.394
  432   1HD   LYS  56          1HD       LYS  56   0.318 -11.541   5.571
  433   2HD   LYS  56          2HD       LYS  56   0.171  -9.820   5.210
  434   1HE   LYS  56          1HE       LYS  56  -2.139 -11.746   5.048
  435   2HE   LYS  56          2HE       LYS  56  -1.738 -10.844   6.508
  436   1HZ   LYS  56          1HZ       LYS  56  -3.329  -9.545   5.457
  437   2HZ   LYS  56          2HZ       LYS  56  -2.694  -9.814   3.912
  438   3HZ   LYS  56          3HZ       LYS  56  -1.878  -8.805   4.997
  439    H    ASN  57           H        ASN  57  -0.105 -11.269   1.019
  440    HA   ASN  57           HA       ASN  57  -0.340 -12.605  -0.793
  441   1HB   ASN  57          1HB       ASN  57   1.154 -10.979  -1.937
  442   2HB   ASN  57          2HB       ASN  57   2.531 -11.965  -1.465
  443   1HD2  ASN  57          1HD2      ASN  57  -0.590 -12.196  -3.129
  444   2HD2  ASN  57          2HD2      ASN  57  -0.060 -13.338  -4.314
  445    H    HIS  58           H        HIS  58   2.592 -13.097   1.174
  446    HA   HIS  58           HA       HIS  58   3.106 -15.845   0.496
  447   1HB   HIS  58          1HB       HIS  58   3.838 -14.019   2.770
  448   2HB   HIS  58          2HB       HIS  58   4.399 -15.679   2.613
  449    HD1  HIS  58           HD1      HIS  58   5.991 -12.790   2.448
  450    HD2  HIS  58           HD2      HIS  58   5.264 -15.555  -0.567
  451    HE1  HIS  58           HE1      HIS  58   7.776 -12.385   0.723
  452    HE2  HIS  58           HE2      HIS  58   7.347 -14.104  -1.070
  453    H    ASP  59           H        ASP  59   0.250 -15.124   1.241
  454    HA   ASP  59           HA       ASP  59  -0.122 -16.398   3.782
  455   1HB   ASP  59          1HB       ASP  59  -2.133 -15.599   1.667
  456   2HB   ASP  59          2HB       ASP  59  -2.528 -16.128   3.299
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -1.111 -11.582  -5.252
    2   2H    MET   1          2H        MET   1  -2.278 -10.385  -4.881
    3   3H    MET   1          3H        MET   1  -1.847 -11.559  -3.706
    4    HA   MET   1           HA       MET   1   0.318 -10.690  -3.530
    5   1HB   MET   1          1HB       MET   1  -0.543  -8.615  -5.557
    6   2HB   MET   1          2HB       MET   1   1.057  -8.817  -4.859
    7   1HG   MET   1          1HG       MET   1   0.376 -11.268  -6.076
    8   2HG   MET   1          2HG       MET   1  -0.043  -9.990  -7.213
    9   1HE   MET   1          1HE       MET   1   3.223  -8.283  -8.048
   10   2HE   MET   1          2HE       MET   1   1.566  -7.951  -7.546
   11   3HE   MET   1          3HE       MET   1   1.877  -9.036  -8.901
   12    H    GLU   2           H        GLU   2  -1.256 -10.505  -1.609
   13    HA   GLU   2           HA       GLU   2  -2.255  -7.790  -1.291
   14   1HB   GLU   2          1HB       GLU   2  -3.685  -9.893  -0.841
   15   2HB   GLU   2          2HB       GLU   2  -2.761 -10.007   0.640
   16   1HG   GLU   2          1HG       GLU   2  -3.539  -7.887   1.389
   17   2HG   GLU   2          2HG       GLU   2  -4.361  -7.608  -0.144
   18    H    ALA   3           H        ALA   3  -1.987  -6.675   0.695
   19    HA   ALA   3           HA       ALA   3   0.197  -7.463   2.453
   20   1HB   ALA   3          1HB       ALA   3   1.060  -6.076   0.489
   21   2HB   ALA   3          2HB       ALA   3   1.541  -5.607   2.109
   22   3HB   ALA   3          3HB       ALA   3   0.260  -4.730   1.278
   23    H    ILE   4           H        ILE   4   0.497  -5.921   4.233
   24    HA   ILE   4           HA       ILE   4  -2.008  -4.580   4.972
   25    HB   ILE   4           HB       ILE   4  -1.737  -6.906   6.004
   26   1HG1  ILE   4          1HG1      ILE   4  -2.111  -5.057   8.252
   27   2HG1  ILE   4          2HG1      ILE   4  -3.055  -4.692   6.817
   28   1HG2  ILE   4          1HG2      ILE   4  -0.361  -6.036   8.336
   29   2HG2  ILE   4          2HG2      ILE   4   0.682  -5.804   6.936
   30   3HG2  ILE   4          3HG2      ILE   4  -0.009  -7.376   7.267
   31   1HD1  ILE   4          1HD1      ILE   4  -3.017  -7.424   8.042
   32   2HD1  ILE   4          2HD1      ILE   4  -4.163  -6.753   6.889
   33   3HD1  ILE   4          3HD1      ILE   4  -4.144  -6.167   8.551
   34    H    ALA   5           H        ALA   5  -1.840  -2.737   6.133
   35    HA   ALA   5           HA       ALA   5   0.654  -1.358   6.144
   36   1HB   ALA   5          1HB       ALA   5  -1.499  -0.244   5.796
   37   2HB   ALA   5          2HB       ALA   5  -0.589   0.474   7.123
   38   3HB   ALA   5          3HB       ALA   5  -1.948  -0.600   7.463
   39    H    LYS   6           H        LYS   6   2.214  -1.426   7.613
   40    HA   LYS   6           HA       LYS   6   1.690  -2.581  10.264
   41   1HB   LYS   6          1HB       LYS   6   4.371  -1.476   9.604
   42   2HB   LYS   6          2HB       LYS   6   3.948  -2.931  10.489
   43   1HG   LYS   6          1HG       LYS   6   4.302  -4.175   8.700
   44   2HG   LYS   6          2HG       LYS   6   3.163  -3.221   7.750
   45   1HD   LYS   6          1HD       LYS   6   5.093  -2.870   6.563
   46   2HD   LYS   6          2HD       LYS   6   5.166  -1.510   7.677
   47   1HE   LYS   6          1HE       LYS   6   6.467  -4.147   8.284
   48   2HE   LYS   6          2HE       LYS   6   7.288  -2.896   7.351
   49   1HZ   LYS   6          1HZ       LYS   6   6.475  -1.475   9.434
   50   2HZ   LYS   6          2HZ       LYS   6   7.968  -2.271   9.393
   51   3HZ   LYS   6          3HZ       LYS   6   6.653  -2.980  10.188
   52    H    HIS   7           H        HIS   7   1.959   0.442   8.758
   53    HA   HIS   7           HA       HIS   7   1.479   1.771  11.291
   54   1HB   HIS   7          1HB       HIS   7   3.673   2.794   9.480
   55   2HB   HIS   7          2HB       HIS   7   3.223   3.398  11.071
   56    HD1  HIS   7           HD1      HIS   7   3.796   1.761  13.123
   57    HD2  HIS   7           HD2      HIS   7   5.577   0.826   9.486
   58    HE1  HIS   7           HE1      HIS   7   5.670   0.178  13.678
   59    HE2  HIS   7           HE2      HIS   7   6.665  -0.454  11.452
   60    H    ASP   8           H        ASP   8   1.233   4.195  10.788
   61    HA   ASP   8           HA       ASP   8  -0.908   4.338   8.883
   62   1HB   ASP   8          1HB       ASP   8   0.270   6.530  10.616
   63   2HB   ASP   8          2HB       ASP   8  -1.292   6.573   9.806
   64    H    PHE   9           H        PHE   9  -1.001   5.568   6.975
   65    HA   PHE   9           HA       PHE   9   1.429   7.018   6.311
   66   1HB   PHE   9          1HB       PHE   9   2.151   5.486   4.860
   67   2HB   PHE   9          2HB       PHE   9   0.717   4.509   5.123
   68    HD1  PHE   9           HD1      PHE   9   1.862   7.494   3.191
   69    HD2  PHE   9           HD2      PHE   9  -0.679   4.084   3.344
   70    HE1  PHE   9           HE1      PHE   9   1.174   7.899   0.861
   71    HE2  PHE   9           HE2      PHE   9  -1.381   4.501   1.029
   72    HZ   PHE   9           HZ       PHE   9  -0.447   6.401  -0.223
   73    H    SER  10           H        SER  10   1.159   8.836   5.282
   74    HA   SER  10           HA       SER  10  -1.347   9.398   3.826
   75   1HB   SER  10          1HB       SER  10  -1.447  10.615   5.963
   76   2HB   SER  10          2HB       SER  10   0.186  11.233   5.716
   77    HG   SER  10           HG       SER  10  -1.993  11.766   3.979
   78    H    ALA  11           H        ALA  11  -1.100  10.030   1.861
   79    HA   ALA  11           HA       ALA  11   1.210   9.707   0.435
   80   1HB   ALA  11          1HB       ALA  11  -0.012  11.302  -1.225
   81   2HB   ALA  11          2HB       ALA  11  -1.338  11.139  -0.075
   82   3HB   ALA  11          3HB       ALA  11  -0.667   9.707  -0.854
   83    H    THR  12           H        THR  12   2.869  10.815  -0.162
   84    HA   THR  12           HA       THR  12   3.142  13.566   0.813
   85    HB   THR  12           HB       THR  12   5.068  11.257   0.585
   86    HG1  THR  12           HG1      THR  12   5.121  11.522   2.657
   87   1HG2  THR  12          1HG2      THR  12   6.664  13.367   1.374
   88   2HG2  THR  12          2HG2      THR  12   5.813  13.998  -0.029
   89   3HG2  THR  12          3HG2      THR  12   6.743  12.506  -0.161
   90    H    ALA  13           H        ALA  13   2.171  12.179  -1.788
   91    HA   ALA  13           HA       ALA  13   3.055  14.342  -3.494
   92   1HB   ALA  13          1HB       ALA  13   4.808  12.764  -3.931
   93   2HB   ALA  13          2HB       ALA  13   3.701  12.738  -5.304
   94   3HB   ALA  13          3HB       ALA  13   3.647  11.447  -4.105
   95    H    ASP  14           H        ASP  14   1.858  14.320  -5.532
   96    HA   ASP  14           HA       ASP  14  -0.894  14.056  -5.067
   97   1HB   ASP  14          1HB       ASP  14   0.794  15.144  -7.096
   98   2HB   ASP  14          2HB       ASP  14  -0.492  14.217  -7.861
   99    H    ASP  15           H        ASP  15   1.353  11.889  -6.579
  100    HA   ASP  15           HA       ASP  15  -0.781  10.290  -7.701
  101   1HB   ASP  15          1HB       ASP  15   1.094   8.952  -8.639
  102   2HB   ASP  15          2HB       ASP  15   1.133  10.654  -9.084
  103    H    GLU  16           H        GLU  16  -0.087  10.456  -4.707
  104    HA   GLU  16           HA       GLU  16   0.272   7.589  -4.169
  105   1HB   GLU  16          1HB       GLU  16   0.973  10.065  -2.660
  106   2HB   GLU  16          2HB       GLU  16   0.728   8.552  -1.799
  107   1HG   GLU  16          1HG       GLU  16   2.464   8.219  -4.090
  108   2HG   GLU  16          2HG       GLU  16   3.071   9.436  -2.969
  109    H    LEU  17           H        LEU  17  -0.887   6.811  -2.179
  110    HA   LEU  17           HA       LEU  17  -3.584   8.005  -2.094
  111   1HB   LEU  17          1HB       LEU  17  -2.725   5.244  -2.445
  112   2HB   LEU  17          2HB       LEU  17  -3.850   5.402  -1.120
  113    HG   LEU  17           HG       LEU  17  -4.300   5.950  -4.024
  114   1HD1  LEU  17          1HD1      LEU  17  -5.384   4.033  -3.906
  115   2HD1  LEU  17          2HD1      LEU  17  -6.470   4.715  -2.698
  116   3HD1  LEU  17          3HD1      LEU  17  -4.989   3.903  -2.196
  117   1HD2  LEU  17          1HD2      LEU  17  -6.628   6.694  -3.000
  118   2HD2  LEU  17          2HD2      LEU  17  -5.362   7.832  -3.436
  119   3HD2  LEU  17          3HD2      LEU  17  -5.562   7.329  -1.755
  120    H    SER  18           H        SER  18  -4.187   6.106   0.274
  121    HA   SER  18           HA       SER  18  -2.415   7.099   2.319
  122   1HB   SER  18          1HB       SER  18  -4.364   7.952   3.671
  123   2HB   SER  18          2HB       SER  18  -3.990   8.933   2.255
  124    HG   SER  18           HG       SER  18  -5.682   7.323   1.295
  125    H    PHE  19           H        PHE  19  -2.689   5.880   4.329
  126    HA   PHE  19           HA       PHE  19  -4.649   3.769   4.424
  127   1HB   PHE  19          1HB       PHE  19  -2.400   3.245   2.930
  128   2HB   PHE  19          2HB       PHE  19  -1.950   2.606   4.504
  129    HD1  PHE  19           HD1      PHE  19  -2.872   0.598   5.309
  130    HD2  PHE  19           HD2      PHE  19  -4.410   2.362   1.769
  131    HE1  PHE  19           HE1      PHE  19  -4.093  -1.464   4.812
  132    HE2  PHE  19           HE2      PHE  19  -5.641   0.291   1.287
  133    HZ   PHE  19           HZ       PHE  19  -5.498  -1.608   2.807
  134    H    ARG  20           H        ARG  20  -4.765   2.695   6.383
  135    HA   ARG  20           HA       ARG  20  -3.158   3.895   8.536
  136   1HB   ARG  20          1HB       ARG  20  -5.553   4.521   8.552
  137   2HB   ARG  20          2HB       ARG  20  -5.979   2.821   8.637
  138   1HG   ARG  20          1HG       ARG  20  -6.161   3.954  10.798
  139   2HG   ARG  20          2HG       ARG  20  -5.007   2.624  10.820
  140   1HD   ARG  20          1HD       ARG  20  -4.518   5.081  11.832
  141   2HD   ARG  20          2HD       ARG  20  -3.274   3.976  11.271
  142    HE   ARG  20           HE       ARG  20  -2.848   5.385   9.518
  143   1HH1  ARG  20          1HH1      ARG  20  -5.879   6.292  10.964
  144   2HH1  ARG  20          2HH1      ARG  20  -5.996   7.777  10.080
  145   1HH2  ARG  20          1HH2      ARG  20  -2.989   7.334   8.365
  146   2HH2  ARG  20          2HH2      ARG  20  -4.357   8.370   8.605
  147    H    LYS  21           H        LYS  21  -2.660   2.586  10.366
  148    HA   LYS  21           HA       LYS  21  -1.609   0.060   9.845
  149   1HB   LYS  21          1HB       LYS  21  -0.787   1.435  11.638
  150   2HB   LYS  21          2HB       LYS  21  -2.354   1.428  12.431
  151   1HG   LYS  21          1HG       LYS  21  -1.218  -1.230  11.992
  152   2HG   LYS  21          2HG       LYS  21  -0.272  -0.190  13.060
  153   1HD   LYS  21          1HD       LYS  21  -1.747  -0.419  14.718
  154   2HD   LYS  21          2HD       LYS  21  -3.096  -0.008  13.657
  155   1HE   LYS  21          1HE       LYS  21  -3.541  -2.188  14.433
  156   2HE   LYS  21          2HE       LYS  21  -2.949  -2.381  12.783
  157   1HZ   LYS  21          1HZ       LYS  21  -0.861  -2.453  14.752
  158   2HZ   LYS  21          2HZ       LYS  21  -1.187  -3.523  13.484
  159   3HZ   LYS  21          3HZ       LYS  21  -2.001  -3.687  14.958
  160    H    GLY  22           H        GLY  22  -2.388  -1.934   9.897
  161   1HA   GLY  22          1HA       GLY  22  -3.752  -3.680  10.706
  162   2HA   GLY  22          2HA       GLY  22  -4.936  -2.491  11.219
  163    H    GLN  23           H        GLN  23  -4.612  -1.234   8.409
  164    HA   GLN  23           HA       GLN  23  -6.781  -2.754   7.292
  165   1HB   GLN  23          1HB       GLN  23  -5.332  -0.414   6.069
  166   2HB   GLN  23          2HB       GLN  23  -6.876  -1.073   5.548
  167   1HG   GLN  23          1HG       GLN  23  -6.345   0.157   8.241
  168   2HG   GLN  23          2HG       GLN  23  -7.070   1.000   6.872
  169   1HE2  GLN  23          1HE2      GLN  23  -7.502  -1.540   9.231
  170   2HE2  GLN  23          2HE2      GLN  23  -9.219  -1.654   9.082
  171    H    ILE  24           H        ILE  24  -6.872  -3.456   4.990
  172    HA   ILE  24           HA       ILE  24  -4.267  -4.588   4.215
  173    HB   ILE  24           HB       ILE  24  -6.447  -5.880   2.843
  174   1HG1  ILE  24          1HG1      ILE  24  -7.767  -5.275   4.847
  175   2HG1  ILE  24          2HG1      ILE  24  -7.498  -7.010   4.727
  176   1HG2  ILE  24          1HG2      ILE  24  -5.214  -7.688   4.552
  177   2HG2  ILE  24          2HG2      ILE  24  -3.969  -6.494   4.190
  178   3HG2  ILE  24          3HG2      ILE  24  -4.784  -7.341   2.880
  179   1HD1  ILE  24          1HD1      ILE  24  -6.844  -5.221   6.853
  180   2HD1  ILE  24          2HD1      ILE  24  -5.390  -6.006   6.251
  181   3HD1  ILE  24          3HD1      ILE  24  -6.750  -6.982   6.799
  182    H    LEU  25           H        LEU  25  -3.328  -3.649   2.600
  183    HA   LEU  25           HA       LEU  25  -4.878  -2.261   0.538
  184   1HB   LEU  25          1HB       LEU  25  -2.633  -1.356  -0.109
  185   2HB   LEU  25          2HB       LEU  25  -3.185  -0.925   1.491
  186    HG   LEU  25           HG       LEU  25  -1.702  -3.186   1.978
  187   1HD1  LEU  25          1HD1      LEU  25   0.276  -1.743   0.436
  188   2HD1  LEU  25          2HD1      LEU  25  -0.986  -2.424  -0.589
  189   3HD1  LEU  25          3HD1      LEU  25  -0.072  -3.466   0.492
  190   1HD2  LEU  25          1HD2      LEU  25   0.042  -1.085   2.300
  191   2HD2  LEU  25          2HD2      LEU  25  -1.117  -1.656   3.491
  192   3HD2  LEU  25          3HD2      LEU  25  -1.536  -0.323   2.413
  193    H    LYS  26           H        LYS  26  -4.681  -2.773  -1.689
  194    HA   LYS  26           HA       LYS  26  -3.550  -5.418  -2.250
  195   1HB   LYS  26          1HB       LYS  26  -5.875  -5.081  -2.874
  196   2HB   LYS  26          2HB       LYS  26  -5.444  -3.677  -3.838
  197   1HG   LYS  26          1HG       LYS  26  -5.829  -5.519  -5.303
  198   2HG   LYS  26          2HG       LYS  26  -4.102  -5.160  -5.306
  199   1HD   LYS  26          1HD       LYS  26  -4.116  -7.466  -5.134
  200   2HD   LYS  26          2HD       LYS  26  -3.996  -6.975  -3.443
  201   1HE   LYS  26          1HE       LYS  26  -5.827  -8.157  -3.012
  202   2HE   LYS  26          2HE       LYS  26  -6.741  -7.064  -4.048
  203   1HZ   LYS  26          1HZ       LYS  26  -6.536  -8.483  -5.858
  204   2HZ   LYS  26          2HZ       LYS  26  -6.800  -9.549  -4.571
  205   3HZ   LYS  26          3HZ       LYS  26  -5.238  -9.337  -5.187
  206    H    ILE  27           H        ILE  27  -1.643  -5.624  -3.235
  207    HA   ILE  27           HA       ILE  27  -0.374  -3.315  -4.458
  208    HB   ILE  27           HB       ILE  27   0.736  -6.110  -4.252
  209   1HG1  ILE  27          1HG1      ILE  27   1.760  -4.168  -2.337
  210   2HG1  ILE  27          2HG1      ILE  27   0.044  -4.487  -2.108
  211   1HG2  ILE  27          1HG2      ILE  27   1.694  -4.146  -5.749
  212   2HG2  ILE  27          2HG2      ILE  27   2.752  -5.257  -4.878
  213   3HG2  ILE  27          3HG2      ILE  27   2.407  -3.660  -4.212
  214   1HD1  ILE  27          1HD1      ILE  27   0.897  -6.110  -0.814
  215   2HD1  ILE  27          2HD1      ILE  27   2.369  -6.276  -1.758
  216   3HD1  ILE  27          3HD1      ILE  27   0.861  -6.990  -2.332
  217    H    LEU  28           H        LEU  28  -0.448  -2.868  -6.513
  218    HA   LEU  28           HA       LEU  28  -1.185  -4.946  -8.483
  219   1HB   LEU  28          1HB       LEU  28  -1.433  -1.962  -8.769
  220   2HB   LEU  28          2HB       LEU  28  -2.081  -3.190  -9.836
  221    HG   LEU  28           HG       LEU  28  -3.054  -3.464  -7.098
  222   1HD1  LEU  28          1HD1      LEU  28  -4.234  -1.127  -8.488
  223   2HD1  LEU  28          2HD1      LEU  28  -2.716  -0.888  -7.623
  224   3HD1  LEU  28          3HD1      LEU  28  -4.135  -1.493  -6.766
  225   1HD2  LEU  28          1HD2      LEU  28  -3.859  -4.071  -9.717
  226   2HD2  LEU  28          2HD2      LEU  28  -5.047  -2.927  -9.093
  227   3HD2  LEU  28          3HD2      LEU  28  -4.715  -4.420  -8.216
  228    H    ASN  29           H        ASN  29   0.975  -2.244  -7.799
  229    HA   ASN  29           HA       ASN  29   3.007  -3.384  -9.554
  230   1HB   ASN  29          1HB       ASN  29   3.308  -0.892 -10.429
  231   2HB   ASN  29          2HB       ASN  29   2.320  -2.086 -11.256
  232   1HD2  ASN  29          1HD2      ASN  29   2.394   1.001 -10.494
  233   2HD2  ASN  29          2HD2      ASN  29   0.714   1.329 -10.287
  234    H    MET  30           H        MET  30   5.130  -2.713  -8.990
  235    HA   MET  30           HA       MET  30   5.321  -1.396  -6.402
  236   1HB   MET  30          1HB       MET  30   7.263  -2.529  -6.080
  237   2HB   MET  30          2HB       MET  30   6.563  -3.581  -7.295
  238   1HG   MET  30          1HG       MET  30   7.991  -1.696  -8.763
  239   2HG   MET  30          2HG       MET  30   9.004  -2.037  -7.362
  240   1HE   MET  30          1HE       MET  30  10.861  -4.891  -8.185
  241   2HE   MET  30          2HE       MET  30  10.702  -3.236  -7.599
  242   3HE   MET  30          3HE       MET  30  11.023  -3.539  -9.306
  243    H    GLU  31           H        GLU  31   5.331  -0.422  -9.555
  244    HA   GLU  31           HA       GLU  31   5.602   1.617 -10.461
  245   1HB   GLU  31          1HB       GLU  31   5.416   2.416  -8.051
  246   2HB   GLU  31          2HB       GLU  31   7.167   2.578  -8.102
  247   1HG   GLU  31          1HG       GLU  31   6.632   3.902 -10.325
  248   2HG   GLU  31          2HG       GLU  31   5.065   4.114  -9.547
  249    H    ASP  32           H        ASP  32   8.248   3.017  -9.501
  250    HA   ASP  32           HA       ASP  32   9.879   1.500 -11.321
  251   1HB   ASP  32          1HB       ASP  32  11.184   3.544 -11.844
  252   2HB   ASP  32          2HB       ASP  32   9.516   3.505 -12.404
  253    H    ASP  33           H        ASP  33   9.664   1.531  -8.257
  254    HA   ASP  33           HA       ASP  33  12.374   0.748  -7.993
  255   1HB   ASP  33          1HB       ASP  33  12.903   2.455  -6.212
  256   2HB   ASP  33          2HB       ASP  33  12.733   3.114  -7.836
  257    H    SER  34           H        SER  34  12.862   0.074  -5.809
  258    HA   SER  34           HA       SER  34  10.793  -1.545  -4.642
  259   1HB   SER  34          1HB       SER  34  12.573  -2.125  -3.037
  260   2HB   SER  34          2HB       SER  34  13.071  -2.332  -4.715
  261    HG   SER  34           HG       SER  34  14.717  -1.212  -3.927
  262    H    ASN  35           H        ASN  35  11.899   1.790  -3.968
  263    HA   ASN  35           HA       ASN  35  11.017   1.482  -1.244
  264   1HB   ASN  35          1HB       ASN  35  12.852   3.160  -2.504
  265   2HB   ASN  35          2HB       ASN  35  11.590   4.223  -1.892
  266   1HD2  ASN  35          1HD2      ASN  35  10.905   3.714   0.399
  267   2HD2  ASN  35          2HD2      ASN  35  12.186   3.398   1.506
  268    H    TRP  36           H        TRP  36   9.297   2.126  -3.983
  269    HA   TRP  36           HA       TRP  36   7.167   3.342  -2.386
  270   1HB   TRP  36          1HB       TRP  36   8.184   4.316  -5.062
  271   2HB   TRP  36          2HB       TRP  36   6.569   4.699  -4.475
  272    HD1  TRP  36           HD1      TRP  36  10.073   5.909  -4.334
  273    HE1  TRP  36           HE1      TRP  36  10.300   7.830  -2.636
  274    HE3  TRP  36           HE3      TRP  36   5.558   5.459  -1.983
  275    HZ2  TRP  36           HZ2      TRP  36   8.771   9.004  -0.578
  276    HZ3  TRP  36           HZ3      TRP  36   5.018   7.017  -0.157
  277    HH2  TRP  36           HH2      TRP  36   6.594   8.753   0.532
  278    H    TYR  37           H        TYR  37   5.222   2.301  -2.774
  279    HA   TYR  37           HA       TYR  37   5.175   0.415  -5.042
  280   1HB   TYR  37          1HB       TYR  37   4.357   0.097  -2.177
  281   2HB   TYR  37          2HB       TYR  37   3.523  -0.833  -3.414
  282    HD1  TYR  37           HD1      TYR  37   4.317  -2.857  -2.211
  283    HD2  TYR  37           HD2      TYR  37   7.048  -0.150  -4.016
  284    HE1  TYR  37           HE1      TYR  37   6.079  -4.564  -2.111
  285    HE2  TYR  37           HE2      TYR  37   8.814  -1.844  -3.922
  286    HH   TYR  37           HH       TYR  37   9.353  -3.916  -3.319
  287    H    ARG  38           H        ARG  38   2.864  -0.320  -5.527
  288    HA   ARG  38           HA       ARG  38   1.051   1.987  -5.359
  289   1HB   ARG  38          1HB       ARG  38   1.784   1.976  -7.607
  290   2HB   ARG  38          2HB       ARG  38   1.698   0.230  -7.716
  291   1HG   ARG  38          1HG       ARG  38  -0.259   0.471  -8.706
  292   2HG   ARG  38          2HG       ARG  38  -0.913   1.019  -7.170
  293   1HD   ARG  38          1HD       ARG  38  -1.029   3.156  -7.853
  294   2HD   ARG  38          2HD       ARG  38   0.531   3.075  -8.667
  295    HE   ARG  38           HE       ARG  38  -0.624   2.864 -10.606
  296   1HH1  ARG  38          1HH1      ARG  38  -2.576   1.491  -8.065
  297   2HH1  ARG  38          2HH1      ARG  38  -3.866   1.076  -9.133
  298   1HH2  ARG  38          1HH2      ARG  38  -2.347   2.332 -11.997
  299   2HH2  ARG  38          2HH2      ARG  38  -3.757   1.564 -11.348
  300    H    ALA  39           H        ALA  39  -0.857   1.584  -4.445
  301    HA   ALA  39           HA       ALA  39  -1.941  -1.125  -4.612
  302   1HB   ALA  39          1HB       ALA  39  -0.615  -0.770  -2.470
  303   2HB   ALA  39          2HB       ALA  39  -2.252  -1.407  -2.312
  304   3HB   ALA  39          3HB       ALA  39  -1.930   0.295  -1.974
  305    H    GLU  40           H        GLU  40  -4.154  -1.333  -3.918
  306    HA   GLU  40           HA       GLU  40  -5.751   1.084  -4.485
  307   1HB   GLU  40          1HB       GLU  40  -6.137  -0.528  -6.189
  308   2HB   GLU  40          2HB       GLU  40  -6.172  -1.851  -5.037
  309   1HG   GLU  40          1HG       GLU  40  -8.297  -0.599  -4.136
  310   2HG   GLU  40          2HG       GLU  40  -8.305   0.097  -5.755
  311    H    LEU  41           H        LEU  41  -7.415   1.643  -3.090
  312    HA   LEU  41           HA       LEU  41  -8.227  -0.144  -0.951
  313   1HB   LEU  41          1HB       LEU  41  -6.571   0.813   0.312
  314   2HB   LEU  41          2HB       LEU  41  -6.618   2.332  -0.545
  315    HG   LEU  41           HG       LEU  41  -9.077   2.196   0.803
  316   1HD1  LEU  41          1HD1      LEU  41  -8.309   1.915   3.166
  317   2HD1  LEU  41          2HD1      LEU  41  -6.841   1.193   2.533
  318   3HD1  LEU  41          3HD1      LEU  41  -8.393   0.424   2.231
  319   1HD2  LEU  41          1HD2      LEU  41  -7.384   4.094   0.351
  320   2HD2  LEU  41          2HD2      LEU  41  -6.692   3.625   1.903
  321   3HD2  LEU  41          3HD2      LEU  41  -8.372   4.156   1.810
  322    H    ASP  42           H        ASP  42 -10.326   0.062  -0.554
  323    HA   ASP  42           HA       ASP  42 -12.496   0.683  -0.802
  324   1HB   ASP  42          1HB       ASP  42 -11.496   2.567   0.660
  325   2HB   ASP  42          2HB       ASP  42 -11.633   3.557  -0.789
  326    H    GLY  43           H        GLY  43 -11.302   0.063  -3.197
  327   1HA   GLY  43          1HA       GLY  43 -11.783   0.169  -5.461
  328   2HA   GLY  43          2HA       GLY  43 -13.086   1.276  -5.055
  329    H    LYS  44           H        LYS  44 -10.059   2.245  -3.904
  330    HA   LYS  44           HA       LYS  44  -9.736   4.138  -6.141
  331   1HB   LYS  44          1HB       LYS  44 -10.305   4.765  -3.536
  332   2HB   LYS  44          2HB       LYS  44  -8.548   4.796  -3.505
  333   1HG   LYS  44          1HG       LYS  44  -8.904   6.272  -5.679
  334   2HG   LYS  44          2HG       LYS  44 -10.456   6.589  -4.901
  335   1HD   LYS  44          1HD       LYS  44  -8.081   6.765  -3.174
  336   2HD   LYS  44          2HD       LYS  44  -8.216   8.011  -4.414
  337   1HE   LYS  44          1HE       LYS  44 -10.597   8.341  -3.568
  338   2HE   LYS  44          2HE       LYS  44 -10.122   7.355  -2.186
  339   1HZ   LYS  44          1HZ       LYS  44  -9.558  10.097  -2.726
  340   2HZ   LYS  44          2HZ       LYS  44  -8.139   9.229  -2.416
  341   3HZ   LYS  44          3HZ       LYS  44  -9.395   9.230  -1.282
  342    H    GLU  45           H        GLU  45  -7.657   4.348  -6.990
  343    HA   GLU  45           HA       GLU  45  -5.678   2.484  -5.878
  344   1HB   GLU  45          1HB       GLU  45  -6.119   3.520  -8.670
  345   2HB   GLU  45          2HB       GLU  45  -4.548   2.899  -8.191
  346   1HG   GLU  45          1HG       GLU  45  -5.232   0.838  -8.597
  347   2HG   GLU  45          2HG       GLU  45  -6.502   1.009  -7.394
  348    H    GLY  46           H        GLY  46  -3.383   3.180  -6.120
  349   1HA   GLY  46          1HA       GLY  46  -2.568   5.835  -6.321
  350   2HA   GLY  46          2HA       GLY  46  -3.089   5.571  -4.675
  351    H    LEU  47           H        LEU  47  -0.756   6.276  -4.600
  352    HA   LEU  47           HA       LEU  47   1.024   3.933  -4.699
  353   1HB   LEU  47          1HB       LEU  47   1.390   6.740  -5.382
  354   2HB   LEU  47          2HB       LEU  47   2.609   6.178  -4.269
  355    HG   LEU  47           HG       LEU  47   2.799   4.186  -5.975
  356   1HD1  LEU  47          1HD1      LEU  47   1.710   4.412  -7.886
  357   2HD1  LEU  47          2HD1      LEU  47   2.489   5.966  -8.174
  358   3HD1  LEU  47          3HD1      LEU  47   0.968   5.894  -7.285
  359   1HD2  LEU  47          1HD2      LEU  47   4.403   6.160  -5.308
  360   2HD2  LEU  47          2HD2      LEU  47   4.006   6.730  -6.930
  361   3HD2  LEU  47          3HD2      LEU  47   4.731   5.140  -6.706
  362    H    ILE  48           H        ILE  48   2.406   3.524  -2.892
  363    HA   ILE  48           HA       ILE  48   1.737   4.984  -0.421
  364    HB   ILE  48           HB       ILE  48   1.626   2.891   0.840
  365   1HG1  ILE  48          1HG1      ILE  48   1.725   1.470  -1.828
  366   2HG1  ILE  48          2HG1      ILE  48   3.096   1.581  -0.727
  367   1HG2  ILE  48          1HG2      ILE  48  -0.489   1.971  -0.227
  368   2HG2  ILE  48          2HG2      ILE  48  -0.235   3.160  -1.504
  369   3HG2  ILE  48          3HG2      ILE  48  -0.470   3.683   0.150
  370   1HD1  ILE  48          1HD1      ILE  48   1.998   0.296   0.899
  371   2HD1  ILE  48          2HD1      ILE  48   1.793  -0.543  -0.635
  372   3HD1  ILE  48          3HD1      ILE  48   0.457   0.384   0.050
  373    HA   PRO  49           HA       PRO  49   6.089   4.659   0.196
  374   1HB   PRO  49          1HB       PRO  49   6.361   4.968   2.893
  375   2HB   PRO  49          2HB       PRO  49   5.846   6.298   1.851
  376   1HG   PRO  49          1HG       PRO  49   4.237   4.580   3.662
  377   2HG   PRO  49          2HG       PRO  49   4.000   6.276   3.221
  378   1HD   PRO  49          1HD       PRO  49   2.616   4.080   2.156
  379   2HD   PRO  49          2HD       PRO  49   2.655   5.714   1.483
  380    H    SER  50           H        SER  50   7.172   2.813  -0.063
  381    HA   SER  50           HA       SER  50   6.314   0.304   0.557
  382   1HB   SER  50          1HB       SER  50   8.449  -0.510  -0.107
  383   2HB   SER  50          2HB       SER  50   8.131   0.944  -1.055
  384    HG   SER  50           HG       SER  50  10.273   0.764  -0.065
  385    H    ASN  51           H        ASN  51   8.525   2.115   2.602
  386    HA   ASN  51           HA       ASN  51   9.071  -0.012   4.398
  387   1HB   ASN  51          1HB       ASN  51   9.260   2.985   4.673
  388   2HB   ASN  51          2HB       ASN  51   9.791   1.872   5.929
  389   1HD2  ASN  51          1HD2      ASN  51  10.722   3.590   3.265
  390   2HD2  ASN  51          2HD2      ASN  51  12.189   2.753   2.908
  391    H    TYR  52           H        TYR  52   6.201   1.757   3.978
  392    HA   TYR  52           HA       TYR  52   5.368   1.437   6.771
  393   1HB   TYR  52          1HB       TYR  52   4.229   2.886   4.411
  394   2HB   TYR  52          2HB       TYR  52   3.251   2.578   5.841
  395    HD1  TYR  52           HD1      TYR  52   6.700   3.845   5.084
  396    HD2  TYR  52           HD2      TYR  52   3.128   4.312   7.353
  397    HE1  TYR  52           HE1      TYR  52   7.648   5.837   6.163
  398    HE2  TYR  52           HE2      TYR  52   4.075   6.307   8.433
  399    HH   TYR  52           HH       TYR  52   5.756   7.804   8.386
  400    H    ILE  53           H        ILE  53   5.426  -0.671   4.269
  401    HA   ILE  53           HA       ILE  53   2.977  -1.968   5.237
  402    HB   ILE  53           HB       ILE  53   2.404  -2.706   2.964
  403   1HG1  ILE  53          1HG1      ILE  53   4.221  -0.598   1.850
  404   2HG1  ILE  53          2HG1      ILE  53   4.864  -2.203   2.185
  405   1HG2  ILE  53          1HG2      ILE  53   1.158  -0.893   3.774
  406   2HG2  ILE  53          2HG2      ILE  53   1.670  -0.421   2.161
  407   3HG2  ILE  53          3HG2      ILE  53   2.497   0.234   3.566
  408   1HD1  ILE  53          1HD1      ILE  53   2.475  -1.687   0.450
  409   2HD1  ILE  53          2HD1      ILE  53   3.328  -3.208   0.659
  410   3HD1  ILE  53          3HD1      ILE  53   4.117  -1.858  -0.158
  411    H    GLU  54           H        GLU  54   2.825  -4.269   4.485
  412    HA   GLU  54           HA       GLU  54   5.316  -5.597   3.856
  413   1HB   GLU  54          1HB       GLU  54   5.136  -5.142   6.439
  414   2HB   GLU  54          2HB       GLU  54   4.001  -6.480   6.406
  415   1HG   GLU  54          1HG       GLU  54   6.448  -6.960   6.975
  416   2HG   GLU  54          2HG       GLU  54   5.632  -8.022   5.832
  417    H    MET  55           H        MET  55   5.015  -7.677   3.054
  418    HA   MET  55           HA       MET  55   2.764  -8.279   1.674
  419   1HB   MET  55          1HB       MET  55   3.551 -10.791   2.067
  420   2HB   MET  55          2HB       MET  55   4.424  -9.679   1.025
  421   1HG   MET  55          1HG       MET  55   6.241  -9.758   2.296
  422   2HG   MET  55          2HG       MET  55   5.319  -9.525   3.780
  423   1HE   MET  55          1HE       MET  55   7.057 -12.871   1.682
  424   2HE   MET  55          2HE       MET  55   7.910 -12.573   3.197
  425   3HE   MET  55          3HE       MET  55   7.608 -11.243   2.079
  426    H    LYS  56           H        LYS  56   0.801  -9.064   2.000
  427    HA   LYS  56           HA       LYS  56   0.123 -10.659   4.289
  428   1HB   LYS  56          1HB       LYS  56   0.017  -7.968   4.732
  429   2HB   LYS  56          2HB       LYS  56  -1.629  -8.300   4.211
  430   1HG   LYS  56          1HG       LYS  56  -1.706  -8.540   6.527
  431   2HG   LYS  56          2HG       LYS  56  -1.592 -10.195   5.935
  432   1HD   LYS  56          1HD       LYS  56   0.776 -10.252   6.420
  433   2HD   LYS  56          2HD       LYS  56   0.756  -8.553   6.877
  434   1HE   LYS  56          1HE       LYS  56   0.733  -9.786   8.897
  435   2HE   LYS  56          2HE       LYS  56  -0.902  -9.163   8.673
  436   1HZ   LYS  56          1HZ       LYS  56  -0.388 -11.690   9.254
  437   2HZ   LYS  56          2HZ       LYS  56  -0.356 -11.796   7.567
  438   3HZ   LYS  56          3HZ       LYS  56  -1.737 -11.215   8.351
  439    H    ASN  57           H        ASN  57  -0.149 -11.772   2.122
  440    HA   ASN  57           HA       ASN  57  -2.747 -11.252   0.902
  441   1HB   ASN  57          1HB       ASN  57  -2.074 -12.692  -0.899
  442   2HB   ASN  57          2HB       ASN  57  -0.760 -11.569  -0.564
  443   1HD2  ASN  57          1HD2      ASN  57  -1.407 -14.653  -1.296
  444   2HD2  ASN  57          2HD2      ASN  57  -0.024 -15.425  -0.603
  445    H    HIS  58           H        HIS  58  -1.192 -13.373   3.048
  446    HA   HIS  58           HA       HIS  58  -1.788 -15.139   4.214
  447   1HB   HIS  58          1HB       HIS  58  -4.196 -13.529   4.012
  448   2HB   HIS  58          2HB       HIS  58  -4.519 -15.218   4.387
  449    HD1  HIS  58           HD1      HIS  58  -4.189 -12.253   6.112
  450    HD2  HIS  58           HD2      HIS  58  -2.377 -15.964   6.555
  451    HE1  HIS  58           HE1      HIS  58  -3.368 -12.320   8.488
  452    HE2  HIS  58           HE2      HIS  58  -2.205 -14.544   8.709
  453    H    ASP  59           H        ASP  59  -0.984 -16.358   2.326
  454    HA   ASP  59           HA       ASP  59  -2.857 -18.477   1.721
  455   1HB   ASP  59          1HB       ASP  59  -2.116 -16.467  -0.275
  456   2HB   ASP  59          2HB       ASP  59  -1.785 -18.115  -0.800
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -1.985 -10.971  -4.216
    2   2H    MET   1          2H        MET   1  -0.829 -11.404  -5.407
    3   3H    MET   1          3H        MET   1  -2.040 -10.242  -5.765
    4    HA   MET   1           HA       MET   1   0.366 -10.017  -4.157
    5   1HB   MET   1          1HB       MET   1  -0.767  -8.982  -6.597
    6   2HB   MET   1          2HB       MET   1  -0.356  -7.655  -5.521
    7   1HG   MET   1          1HG       MET   1   1.519  -8.027  -6.894
    8   2HG   MET   1          2HG       MET   1   1.926  -8.669  -5.303
    9   1HE   MET   1          1HE       MET   1   3.354 -11.160  -5.397
   10   2HE   MET   1          2HE       MET   1   2.073 -12.352  -5.615
   11   3HE   MET   1          3HE       MET   1   1.797 -10.936  -4.605
   12    H    GLU   2           H        GLU   2  -0.764  -9.984  -2.002
   13    HA   GLU   2           HA       GLU   2  -2.218  -7.496  -1.617
   14   1HB   GLU   2          1HB       GLU   2  -2.673  -9.938   0.086
   15   2HB   GLU   2          2HB       GLU   2  -3.664  -8.489  -0.025
   16   1HG   GLU   2          1HG       GLU   2  -3.490  -9.650  -2.612
   17   2HG   GLU   2          2HG       GLU   2  -3.910 -10.915  -1.457
   18    H    ALA   3           H        ALA   3  -1.893  -6.404   0.356
   19    HA   ALA   3           HA       ALA   3   0.254  -7.353   2.128
   20   1HB   ALA   3          1HB       ALA   3   0.256  -4.791   0.573
   21   2HB   ALA   3          2HB       ALA   3   1.530  -6.001   0.713
   22   3HB   ALA   3          3HB       ALA   3   1.146  -4.959   2.083
   23    H    ILE   4           H        ILE   4   0.527  -5.970   4.011
   24    HA   ILE   4           HA       ILE   4  -2.023  -4.797   4.901
   25    HB   ILE   4           HB       ILE   4  -1.854  -7.004   5.894
   26   1HG1  ILE   4          1HG1      ILE   4  -2.616  -4.851   7.204
   27   2HG1  ILE   4          2HG1      ILE   4  -2.513  -6.409   8.010
   28   1HG2  ILE   4          1HG2      ILE   4   0.854  -6.563   5.935
   29   2HG2  ILE   4          2HG2      ILE   4   0.006  -7.933   6.645
   30   3HG2  ILE   4          3HG2      ILE   4   0.416  -6.542   7.643
   31   1HD1  ILE   4          1HD1      ILE   4  -0.765  -4.029   8.271
   32   2HD1  ILE   4          2HD1      ILE   4  -0.128  -5.617   8.663
   33   3HD1  ILE   4          3HD1      ILE   4  -1.532  -4.990   9.525
   34    H    ALA   5           H        ALA   5  -1.893  -2.926   6.037
   35    HA   ALA   5           HA       ALA   5   0.566  -1.488   6.070
   36   1HB   ALA   5          1HB       ALA   5  -2.085  -0.844   7.341
   37   2HB   ALA   5          2HB       ALA   5  -1.549  -0.354   5.734
   38   3HB   ALA   5          3HB       ALA   5  -0.737   0.278   7.167
   39    H    LYS   6           H        LYS   6   2.131  -1.605   7.548
   40    HA   LYS   6           HA       LYS   6   1.575  -2.820  10.168
   41   1HB   LYS   6          1HB       LYS   6   3.871  -2.668   8.487
   42   2HB   LYS   6          2HB       LYS   6   4.262  -1.853   9.996
   43   1HG   LYS   6          1HG       LYS   6   3.072  -4.610   9.872
   44   2HG   LYS   6          2HG       LYS   6   4.807  -4.298   9.918
   45   1HD   LYS   6          1HD       LYS   6   4.707  -4.161  12.137
   46   2HD   LYS   6          2HD       LYS   6   3.626  -2.776  11.991
   47   1HE   LYS   6          1HE       LYS   6   2.024  -4.002  12.921
   48   2HE   LYS   6          2HE       LYS   6   2.041  -5.032  11.491
   49   1HZ   LYS   6          1HZ       LYS   6   3.390  -5.439  14.079
   50   2HZ   LYS   6          2HZ       LYS   6   3.981  -6.191  12.684
   51   3HZ   LYS   6          3HZ       LYS   6   2.405  -6.506  13.210
   52    H    HIS   7           H        HIS   7   1.774   0.225   8.755
   53    HA   HIS   7           HA       HIS   7   1.305   1.493  11.310
   54   1HB   HIS   7          1HB       HIS   7   3.554   2.482   9.543
   55   2HB   HIS   7          2HB       HIS   7   3.034   3.175  11.077
   56    HD1  HIS   7           HD1      HIS   7   3.349   1.478  13.207
   57    HD2  HIS   7           HD2      HIS   7   5.552   0.658   9.779
   58    HE1  HIS   7           HE1      HIS   7   5.192  -0.065  13.945
   59    HE2  HIS   7           HE2      HIS   7   6.435  -0.645  11.831
   60    H    ASP   8           H        ASP   8   1.079   3.940  10.850
   61    HA   ASP   8           HA       ASP   8  -1.038   4.089   8.907
   62   1HB   ASP   8          1HB       ASP   8  -1.364   6.397   9.835
   63   2HB   ASP   8          2HB       ASP   8  -1.423   5.127  11.053
   64    H    PHE   9           H        PHE   9  -1.106   5.416   7.055
   65    HA   PHE   9           HA       PHE   9   1.385   6.806   6.424
   66   1HB   PHE   9          1HB       PHE   9   2.043   5.305   4.914
   67   2HB   PHE   9          2HB       PHE   9   0.626   4.330   5.236
   68    HD1  PHE   9           HD1      PHE   9   1.537   7.388   3.272
   69    HD2  PHE   9           HD2      PHE   9  -0.599   3.727   3.449
   70    HE1  PHE   9           HE1      PHE   9   0.832   7.688   0.932
   71    HE2  PHE   9           HE2      PHE   9  -1.323   4.024   1.127
   72    HZ   PHE   9           HZ       PHE   9  -0.596   6.013  -0.143
   73    H    SER  10           H        SER  10   1.159   8.692   5.510
   74    HA   SER  10           HA       SER  10  -1.333   9.358   4.080
   75   1HB   SER  10          1HB       SER  10  -0.402  10.511   6.496
   76   2HB   SER  10          2HB       SER  10  -0.029  11.684   5.234
   77    HG   SER  10           HG       SER  10  -2.452  10.934   6.267
   78    H    ALA  11           H        ALA  11  -1.097   9.960   2.125
   79    HA   ALA  11           HA       ALA  11   1.200   9.708   0.642
   80   1HB   ALA  11          1HB       ALA  11  -0.211  11.392  -0.884
   81   2HB   ALA  11          2HB       ALA  11  -1.464  10.877   0.246
   82   3HB   ALA  11          3HB       ALA  11  -0.583   9.678  -0.700
   83    H    THR  12           H        THR  12   2.776  10.917  -0.042
   84    HA   THR  12           HA       THR  12   2.960  13.662   0.969
   85    HB   THR  12           HB       THR  12   4.952  11.439   0.694
   86    HG1  THR  12           HG1      THR  12   5.326  11.948   2.727
   87   1HG2  THR  12          1HG2      THR  12   6.868  12.773   0.665
   88   2HG2  THR  12          2HG2      THR  12   5.952  14.267   0.858
   89   3HG2  THR  12          3HG2      THR  12   5.884  13.379  -0.665
   90    H    ALA  13           H        ALA  13   1.976  12.240  -1.641
   91    HA   ALA  13           HA       ALA  13   2.670  14.492  -3.330
   92   1HB   ALA  13          1HB       ALA  13   3.294  11.643  -4.115
   93   2HB   ALA  13          2HB       ALA  13   4.473  12.914  -3.790
   94   3HB   ALA  13          3HB       ALA  13   3.395  13.044  -5.181
   95    H    ASP  14           H        ASP  14   1.405  14.451  -5.314
   96    HA   ASP  14           HA       ASP  14  -1.308  14.079  -4.753
   97   1HB   ASP  14          1HB       ASP  14   0.286  15.088  -6.979
   98   2HB   ASP  14          2HB       ASP  14  -1.224  14.345  -7.498
   99    H    ASP  15           H        ASP  15   0.939  11.991  -6.369
  100    HA   ASP  15           HA       ASP  15  -1.190  10.332  -7.428
  101   1HB   ASP  15          1HB       ASP  15   0.736   9.048  -8.411
  102   2HB   ASP  15          2HB       ASP  15   0.580  10.724  -8.929
  103    H    GLU  16           H        GLU  16  -0.383  10.470  -4.457
  104    HA   GLU  16           HA       GLU  16  -0.049   7.575  -3.955
  105   1HB   GLU  16          1HB       GLU  16   0.747   9.892  -2.197
  106   2HB   GLU  16          2HB       GLU  16   0.959   8.190  -1.819
  107   1HG   GLU  16          1HG       GLU  16   2.538   7.947  -3.594
  108   2HG   GLU  16          2HG       GLU  16   2.259   9.592  -4.140
  109    H    LEU  17           H        LEU  17  -1.631   6.595  -2.814
  110    HA   LEU  17           HA       LEU  17  -3.952   8.093  -1.995
  111   1HB   LEU  17          1HB       LEU  17  -4.625   5.732  -1.147
  112   2HB   LEU  17          2HB       LEU  17  -4.584   6.072  -2.856
  113    HG   LEU  17           HG       LEU  17  -2.236   5.062  -2.816
  114   1HD1  LEU  17          1HD1      LEU  17  -1.880   3.394  -1.039
  115   2HD1  LEU  17          2HD1      LEU  17  -3.260   4.079  -0.176
  116   3HD1  LEU  17          3HD1      LEU  17  -1.838   5.059  -0.482
  117   1HD2  LEU  17          1HD2      LEU  17  -3.066   2.975  -3.346
  118   2HD2  LEU  17          2HD2      LEU  17  -4.449   4.030  -3.625
  119   3HD2  LEU  17          3HD2      LEU  17  -4.354   3.071  -2.148
  120    H    SER  18           H        SER  18  -4.406   6.116   0.362
  121    HA   SER  18           HA       SER  18  -2.443   6.974   2.312
  122   1HB   SER  18          1HB       SER  18  -5.293   7.940   2.260
  123   2HB   SER  18          2HB       SER  18  -4.449   7.729   3.795
  124    HG   SER  18           HG       SER  18  -4.345   9.820   2.296
  125    H    PHE  19           H        PHE  19  -2.692   5.766   4.355
  126    HA   PHE  19           HA       PHE  19  -4.665   3.667   4.509
  127   1HB   PHE  19          1HB       PHE  19  -2.033   3.220   3.328
  128   2HB   PHE  19          2HB       PHE  19  -2.365   2.127   4.656
  129    HD1  PHE  19           HD1      PHE  19  -4.720   0.956   4.517
  130    HD2  PHE  19           HD2      PHE  19  -2.623   2.641   1.224
  131    HE1  PHE  19           HE1      PHE  19  -5.968  -0.504   2.980
  132    HE2  PHE  19           HE2      PHE  19  -3.868   1.195  -0.322
  133    HZ   PHE  19           HZ       PHE  19  -5.547  -0.381   0.557
  134    H    ARG  20           H        ARG  20  -4.505   2.392   6.448
  135    HA   ARG  20           HA       ARG  20  -2.868   3.651   8.551
  136   1HB   ARG  20          1HB       ARG  20  -5.314   4.265   8.620
  137   2HB   ARG  20          2HB       ARG  20  -5.665   2.570   8.925
  138   1HG   ARG  20          1HG       ARG  20  -4.320   2.681  10.981
  139   2HG   ARG  20          2HG       ARG  20  -4.033   4.393  10.679
  140   1HD   ARG  20          1HD       ARG  20  -6.175   3.217  12.077
  141   2HD   ARG  20          2HD       ARG  20  -5.939   4.915  11.693
  142    HE   ARG  20           HE       ARG  20  -7.382   4.677   9.843
  143   1HH1  ARG  20          1HH1      ARG  20  -7.106   1.735  11.712
  144   2HH1  ARG  20          2HH1      ARG  20  -8.540   1.033  11.046
  145   1HH2  ARG  20          1HH2      ARG  20  -9.278   3.748   8.977
  146   2HH2  ARG  20          2HH2      ARG  20  -9.770   2.170   9.496
  147    H    LYS  21           H        LYS  21  -2.341   2.289  10.372
  148    HA   LYS  21           HA       LYS  21  -1.357  -0.235   9.712
  149   1HB   LYS  21          1HB       LYS  21  -1.006  -0.554  12.114
  150   2HB   LYS  21          2HB       LYS  21  -0.499   1.042  11.584
  151   1HG   LYS  21          1HG       LYS  21  -2.661   1.942  12.422
  152   2HG   LYS  21          2HG       LYS  21  -3.009   0.344  13.085
  153   1HD   LYS  21          1HD       LYS  21  -1.770   0.769  14.884
  154   2HD   LYS  21          2HD       LYS  21  -0.376   1.166  13.878
  155   1HE   LYS  21          1HE       LYS  21  -2.616   3.064  14.572
  156   2HE   LYS  21          2HE       LYS  21  -1.044   3.016  15.371
  157   1HZ   LYS  21          1HZ       LYS  21  -1.427   4.693  13.482
  158   2HZ   LYS  21          2HZ       LYS  21  -1.219   3.369  12.450
  159   3HZ   LYS  21          3HZ       LYS  21   0.023   3.821  13.504
  160    H    GLY  22           H        GLY  22  -2.140  -2.228   9.705
  161   1HA   GLY  22          1HA       GLY  22  -3.516  -3.999  10.429
  162   2HA   GLY  22          2HA       GLY  22  -4.665  -2.825  11.048
  163    H    GLN  23           H        GLN  23  -4.278  -1.436   8.243
  164    HA   GLN  23           HA       GLN  23  -6.579  -2.723   7.118
  165   1HB   GLN  23          1HB       GLN  23  -5.300  -0.189   6.852
  166   2HB   GLN  23          2HB       GLN  23  -5.477  -0.894   5.253
  167   1HG   GLN  23          1HG       GLN  23  -7.901  -1.267   6.709
  168   2HG   GLN  23          2HG       GLN  23  -7.415   0.426   6.803
  169   1HE2  GLN  23          1HE2      GLN  23  -7.459   1.683   4.991
  170   2HE2  GLN  23          2HE2      GLN  23  -8.129   1.161   3.486
  171    H    ILE  24           H        ILE  24  -6.778  -3.394   4.850
  172    HA   ILE  24           HA       ILE  24  -4.323  -4.746   3.960
  173    HB   ILE  24           HB       ILE  24  -7.191  -5.420   3.301
  174   1HG1  ILE  24          1HG1      ILE  24  -5.780  -7.450   4.759
  175   2HG1  ILE  24          2HG1      ILE  24  -5.655  -5.926   5.632
  176   1HG2  ILE  24          1HG2      ILE  24  -5.660  -6.076   1.520
  177   2HG2  ILE  24          2HG2      ILE  24  -6.274  -7.491   2.374
  178   3HG2  ILE  24          3HG2      ILE  24  -4.640  -6.911   2.693
  179   1HD1  ILE  24          1HD1      ILE  24  -7.674  -7.634   5.942
  180   2HD1  ILE  24          2HD1      ILE  24  -8.332  -6.651   4.634
  181   3HD1  ILE  24          3HD1      ILE  24  -7.845  -5.891   6.149
  182    H    LEU  25           H        LEU  25  -3.298  -3.639   2.461
  183    HA   LEU  25           HA       LEU  25  -4.760  -2.086   0.461
  184   1HB   LEU  25          1HB       LEU  25  -2.241  -1.534  -0.159
  185   2HB   LEU  25          2HB       LEU  25  -3.063  -0.733   1.152
  186    HG   LEU  25           HG       LEU  25  -1.487  -3.176   1.764
  187   1HD1  LEU  25          1HD1      LEU  25   0.554  -2.157   1.679
  188   2HD1  LEU  25          2HD1      LEU  25  -0.122  -0.536   1.845
  189   3HD1  LEU  25          3HD1      LEU  25  -0.220  -1.378   0.299
  190   1HD2  LEU  25          1HD2      LEU  25  -1.906  -0.604   3.283
  191   2HD2  LEU  25          2HD2      LEU  25  -1.221  -2.110   3.894
  192   3HD2  LEU  25          3HD2      LEU  25  -2.925  -2.033   3.451
  193    H    LYS  26           H        LYS  26  -4.769  -2.582  -1.719
  194    HA   LYS  26           HA       LYS  26  -3.690  -5.189  -2.457
  195   1HB   LYS  26          1HB       LYS  26  -6.103  -4.006  -2.974
  196   2HB   LYS  26          2HB       LYS  26  -5.233  -3.690  -4.467
  197   1HG   LYS  26          1HG       LYS  26  -5.361  -6.439  -3.286
  198   2HG   LYS  26          2HG       LYS  26  -6.644  -5.810  -4.322
  199   1HD   LYS  26          1HD       LYS  26  -3.914  -5.460  -5.359
  200   2HD   LYS  26          2HD       LYS  26  -4.457  -7.134  -5.225
  201   1HE   LYS  26          1HE       LYS  26  -6.570  -6.364  -6.429
  202   2HE   LYS  26          2HE       LYS  26  -5.680  -4.889  -6.806
  203   1HZ   LYS  26          1HZ       LYS  26  -5.450  -6.392  -8.620
  204   2HZ   LYS  26          2HZ       LYS  26  -4.972  -7.658  -7.606
  205   3HZ   LYS  26          3HZ       LYS  26  -3.955  -6.325  -7.830
  206    H    ILE  27           H        ILE  27  -1.853  -5.367  -3.559
  207    HA   ILE  27           HA       ILE  27  -0.639  -3.023  -4.783
  208    HB   ILE  27           HB       ILE  27   0.417  -5.845  -4.529
  209   1HG1  ILE  27          1HG1      ILE  27   1.950  -4.507  -2.841
  210   2HG1  ILE  27          2HG1      ILE  27   0.557  -3.432  -2.770
  211   1HG2  ILE  27          1HG2      ILE  27   1.414  -3.473  -5.898
  212   2HG2  ILE  27          2HG2      ILE  27   1.902  -5.160  -6.050
  213   3HG2  ILE  27          3HG2      ILE  27   2.570  -4.163  -4.759
  214   1HD1  ILE  27          1HD1      ILE  27  -0.246  -4.773  -1.207
  215   2HD1  ILE  27          2HD1      ILE  27   0.974  -6.004  -1.535
  216   3HD1  ILE  27          3HD1      ILE  27  -0.516  -5.967  -2.474
  217    H    LEU  28           H        LEU  28  -0.509  -2.638  -6.911
  218    HA   LEU  28           HA       LEU  28  -1.705  -4.618  -8.729
  219   1HB   LEU  28          1HB       LEU  28  -1.227  -2.022  -9.927
  220   2HB   LEU  28          2HB       LEU  28  -2.702  -2.960  -9.843
  221    HG   LEU  28           HG       LEU  28  -1.716  -1.233  -7.579
  222   1HD1  LEU  28          1HD1      LEU  28  -3.051   0.518  -8.317
  223   2HD1  LEU  28          2HD1      LEU  28  -3.900  -0.487  -9.491
  224   3HD1  LEU  28          3HD1      LEU  28  -2.221  -0.024  -9.774
  225   1HD2  LEU  28          1HD2      LEU  28  -4.351  -1.392  -7.276
  226   2HD2  LEU  28          2HD2      LEU  28  -3.250  -2.568  -6.575
  227   3HD2  LEU  28          3HD2      LEU  28  -4.086  -2.931  -8.085
  228    H    ASN  29           H        ASN  29   1.113  -2.599  -8.194
  229    HA   ASN  29           HA       ASN  29   2.641  -4.287  -9.987
  230   1HB   ASN  29          1HB       ASN  29   3.721  -2.274 -11.046
  231   2HB   ASN  29          2HB       ASN  29   2.066  -2.610 -11.545
  232   1HD2  ASN  29          1HD2      ASN  29   0.371  -1.388 -10.426
  233   2HD2  ASN  29          2HD2      ASN  29   0.697   0.243  -9.970
  234    H    MET  30           H        MET  30   2.573  -1.661  -7.743
  235    HA   MET  30           HA       MET  30   3.816  -1.192  -5.902
  236   1HB   MET  30          1HB       MET  30   4.229  -3.323  -5.176
  237   2HB   MET  30          2HB       MET  30   4.984  -3.824  -6.669
  238   1HG   MET  30          1HG       MET  30   6.652  -1.881  -5.437
  239   2HG   MET  30          2HG       MET  30   6.177  -3.067  -4.234
  240   1HE   MET  30          1HE       MET  30   6.798  -6.237  -6.554
  241   2HE   MET  30          2HE       MET  30   5.583  -5.411  -5.579
  242   3HE   MET  30          3HE       MET  30   7.021  -6.084  -4.811
  243    H    GLU  31           H        GLU  31   4.361  -0.662  -8.897
  244    HA   GLU  31           HA       GLU  31   5.477   0.916  -9.977
  245   1HB   GLU  31          1HB       GLU  31   5.768   1.961  -7.669
  246   2HB   GLU  31          2HB       GLU  31   7.368   1.235  -7.649
  247   1HG   GLU  31          1HG       GLU  31   8.177   2.651  -9.269
  248   2HG   GLU  31          2HG       GLU  31   6.592   2.896  -9.997
  249    H    ASP  32           H        ASP  32   8.468   0.980  -9.094
  250    HA   ASP  32           HA       ASP  32   9.324  -1.137 -10.857
  251   1HB   ASP  32          1HB       ASP  32  10.483   1.596 -10.434
  252   2HB   ASP  32          2HB       ASP  32  11.512   0.285 -11.004
  253    H    ASP  33           H        ASP  33   8.867  -1.195  -7.852
  254    HA   ASP  33           HA       ASP  33   9.709  -2.515  -6.244
  255   1HB   ASP  33          1HB       ASP  33  10.576  -3.873  -8.231
  256   2HB   ASP  33          2HB       ASP  33  12.134  -3.104  -7.938
  257    H    SER  34           H        SER  34   9.973  -0.255  -5.392
  258    HA   SER  34           HA       SER  34  12.667   0.100  -4.406
  259   1HB   SER  34          1HB       SER  34  11.666   1.695  -6.621
  260   2HB   SER  34          2HB       SER  34  12.123   2.705  -5.257
  261    HG   SER  34           HG       SER  34  14.051   2.442  -6.056
  262    H    ASN  35           H        ASN  35  11.871   3.003  -3.856
  263    HA   ASN  35           HA       ASN  35  10.904   2.387  -1.239
  264   1HB   ASN  35          1HB       ASN  35  11.346   5.144  -2.362
  265   2HB   ASN  35          2HB       ASN  35  11.289   4.671  -0.667
  266   1HD2  ASN  35          1HD2      ASN  35  13.195   4.578   0.250
  267   2HD2  ASN  35          2HD2      ASN  35  14.683   4.154  -0.517
  268    H    TRP  36           H        TRP  36   9.332   3.661  -4.108
  269    HA   TRP  36           HA       TRP  36   6.933   4.047  -2.450
  270   1HB   TRP  36          1HB       TRP  36   7.649   5.215  -5.152
  271   2HB   TRP  36          2HB       TRP  36   6.073   5.391  -4.389
  272    HD1  TRP  36           HD1      TRP  36   9.406   7.003  -4.553
  273    HE1  TRP  36           HE1      TRP  36   9.589   8.875  -2.797
  274    HE3  TRP  36           HE3      TRP  36   5.242   5.930  -1.780
  275    HZ2  TRP  36           HZ2      TRP  36   8.159   9.779  -0.537
  276    HZ3  TRP  36           HZ3      TRP  36   4.724   7.347   0.163
  277    HH2  TRP  36           HH2      TRP  36   6.153   9.231   0.770
  278    H    TYR  37           H        TYR  37   5.189   2.702  -2.837
  279    HA   TYR  37           HA       TYR  37   5.368   0.882  -5.156
  280   1HB   TYR  37          1HB       TYR  37   4.301   0.432  -2.368
  281   2HB   TYR  37          2HB       TYR  37   3.909  -0.639  -3.702
  282    HD1  TYR  37           HD1      TYR  37   4.928  -2.181  -1.802
  283    HD2  TYR  37           HD2      TYR  37   7.201   0.485  -4.212
  284    HE1  TYR  37           HE1      TYR  37   6.954  -3.493  -1.336
  285    HE2  TYR  37           HE2      TYR  37   9.228  -0.824  -3.754
  286    HH   TYR  37           HH       TYR  37   9.120  -3.897  -2.157
  287    H    ARG  38           H        ARG  38   3.258   0.170  -6.045
  288    HA   ARG  38           HA       ARG  38   1.259   2.285  -5.773
  289   1HB   ARG  38          1HB       ARG  38   2.489   1.820  -8.022
  290   2HB   ARG  38          2HB       ARG  38   1.422   0.428  -8.137
  291   1HG   ARG  38          1HG       ARG  38  -0.011   1.789  -9.150
  292   2HG   ARG  38          2HG       ARG  38  -0.305   2.490  -7.557
  293   1HD   ARG  38          1HD       ARG  38   0.515   4.423  -8.258
  294   2HD   ARG  38          2HD       ARG  38   2.060   3.647  -8.590
  295    HE   ARG  38           HE       ARG  38   1.067   3.092 -10.825
  296   1HH1  ARG  38          1HH1      ARG  38   0.037   5.888  -9.000
  297   2HH1  ARG  38          2HH1      ARG  38  -0.434   6.781 -10.404
  298   1HH2  ARG  38          1HH2      ARG  38   0.454   4.274 -12.669
  299   2HH2  ARG  38          2HH2      ARG  38  -0.198   5.869 -12.484
  300    H    ALA  39           H        ALA  39  -0.604   1.812  -4.852
  301    HA   ALA  39           HA       ALA  39  -1.720  -0.870  -5.188
  302   1HB   ALA  39          1HB       ALA  39  -1.925  -1.388  -2.957
  303   2HB   ALA  39          2HB       ALA  39  -1.808   0.293  -2.444
  304   3HB   ALA  39          3HB       ALA  39  -0.366  -0.569  -2.983
  305    H    GLU  40           H        GLU  40  -3.946  -0.936  -3.984
  306    HA   GLU  40           HA       GLU  40  -5.435   1.547  -4.562
  307   1HB   GLU  40          1HB       GLU  40  -6.050  -1.310  -5.271
  308   2HB   GLU  40          2HB       GLU  40  -7.345  -0.134  -5.089
  309   1HG   GLU  40          1HG       GLU  40  -5.534   1.137  -6.740
  310   2HG   GLU  40          2HG       GLU  40  -5.496  -0.536  -7.275
  311    H    LEU  41           H        LEU  41  -7.237   1.982  -3.183
  312    HA   LEU  41           HA       LEU  41  -7.839   0.093  -1.061
  313   1HB   LEU  41          1HB       LEU  41  -7.279   1.429   0.729
  314   2HB   LEU  41          2HB       LEU  41  -5.976   1.774  -0.385
  315    HG   LEU  41           HG       LEU  41  -8.293   3.612  -0.508
  316   1HD1  LEU  41          1HD1      LEU  41  -7.031   2.996   1.992
  317   2HD1  LEU  41          2HD1      LEU  41  -8.334   4.133   1.643
  318   3HD1  LEU  41          3HD1      LEU  41  -6.656   4.650   1.510
  319   1HD2  LEU  41          1HD2      LEU  41  -5.307   4.018  -0.457
  320   2HD2  LEU  41          2HD2      LEU  41  -6.521   5.252  -0.791
  321   3HD2  LEU  41          3HD2      LEU  41  -6.305   3.904  -1.908
  322    H    ASP  42           H        ASP  42  -9.932   0.023  -0.676
  323    HA   ASP  42           HA       ASP  42 -12.157   0.348  -0.958
  324   1HB   ASP  42          1HB       ASP  42 -11.179   2.517   0.438
  325   2HB   ASP  42          2HB       ASP  42 -12.136   3.264  -0.838
  326    H    GLY  43           H        GLY  43 -10.676   0.231  -3.389
  327   1HA   GLY  43          1HA       GLY  43 -11.341   0.337  -5.615
  328   2HA   GLY  43          2HA       GLY  43 -12.653   1.401  -5.145
  329    H    LYS  44           H        LYS  44  -9.604   2.390  -3.996
  330    HA   LYS  44           HA       LYS  44  -9.377   4.362  -6.184
  331   1HB   LYS  44          1HB       LYS  44  -9.705   4.709  -3.373
  332   2HB   LYS  44          2HB       LYS  44  -8.074   5.229  -3.778
  333   1HG   LYS  44          1HG       LYS  44 -10.545   6.203  -5.193
  334   2HG   LYS  44          2HG       LYS  44  -9.789   7.032  -3.830
  335   1HD   LYS  44          1HD       LYS  44  -7.675   7.128  -5.156
  336   2HD   LYS  44          2HD       LYS  44  -8.567   6.473  -6.531
  337   1HE   LYS  44          1HE       LYS  44  -8.912   8.635  -7.040
  338   2HE   LYS  44          2HE       LYS  44 -10.171   8.536  -5.809
  339   1HZ   LYS  44          1HZ       LYS  44  -8.981   9.768  -4.364
  340   2HZ   LYS  44          2HZ       LYS  44  -8.253  10.358  -5.772
  341   3HZ   LYS  44          3HZ       LYS  44  -7.487   9.151  -4.867
  342    H    GLU  45           H        GLU  45  -7.322   4.705  -7.047
  343    HA   GLU  45           HA       GLU  45  -5.219   2.923  -6.024
  344   1HB   GLU  45          1HB       GLU  45  -5.912   2.504  -8.373
  345   2HB   GLU  45          2HB       GLU  45  -5.459   4.152  -8.783
  346   1HG   GLU  45          1HG       GLU  45  -3.290   2.738  -7.502
  347   2HG   GLU  45          2HG       GLU  45  -3.881   1.898  -8.932
  348    H    GLY  46           H        GLY  46  -3.126   3.642  -5.812
  349   1HA   GLY  46          1HA       GLY  46  -2.192   6.260  -6.215
  350   2HA   GLY  46          2HA       GLY  46  -2.901   6.165  -4.610
  351    H    LEU  47           H        LEU  47  -0.148   6.609  -5.447
  352    HA   LEU  47           HA       LEU  47   1.480   4.355  -4.865
  353   1HB   LEU  47          1HB       LEU  47   1.837   7.038  -5.652
  354   2HB   LEU  47          2HB       LEU  47   2.727   6.835  -4.164
  355    HG   LEU  47           HG       LEU  47   3.781   4.787  -5.278
  356   1HD1  LEU  47          1HD1      LEU  47   2.639   4.344  -7.182
  357   2HD1  LEU  47          2HD1      LEU  47   3.910   5.372  -7.839
  358   3HD1  LEU  47          3HD1      LEU  47   2.306   6.039  -7.526
  359   1HD2  LEU  47          1HD2      LEU  47   5.536   6.113  -6.162
  360   2HD2  LEU  47          2HD2      LEU  47   4.855   7.010  -4.805
  361   3HD2  LEU  47          3HD2      LEU  47   4.451   7.472  -6.458
  362    H    ILE  48           H        ILE  48   2.665   3.905  -2.999
  363    HA   ILE  48           HA       ILE  48   1.922   5.274  -0.513
  364    HB   ILE  48           HB       ILE  48   0.722   3.629   0.337
  365   1HG1  ILE  48          1HG1      ILE  48   2.900   2.710   1.174
  366   2HG1  ILE  48          2HG1      ILE  48   1.600   1.536   1.030
  367   1HG2  ILE  48          1HG2      ILE  48  -0.002   1.710  -0.925
  368   2HG2  ILE  48          2HG2      ILE  48   1.302   1.958  -2.087
  369   3HG2  ILE  48          3HG2      ILE  48   0.016   3.156  -1.935
  370   1HD1  ILE  48          1HD1      ILE  48   2.620   0.394  -0.640
  371   2HD1  ILE  48          2HD1      ILE  48   4.037   1.011   0.209
  372   3HD1  ILE  48          3HD1      ILE  48   3.465   1.815  -1.252
  373    HA   PRO  49           HA       PRO  49   6.218   4.931   0.181
  374   1HB   PRO  49          1HB       PRO  49   6.455   5.271   2.882
  375   2HB   PRO  49          2HB       PRO  49   5.971   6.587   1.806
  376   1HG   PRO  49          1HG       PRO  49   4.279   4.835   3.538
  377   2HG   PRO  49          2HG       PRO  49   4.134   6.572   3.220
  378   1HD   PRO  49          1HD       PRO  49   2.596   4.642   2.001
  379   2HD   PRO  49          2HD       PRO  49   2.930   6.236   1.299
  380    H    SER  50           H        SER  50   7.323   3.122  -0.052
  381    HA   SER  50           HA       SER  50   6.559   0.581   0.802
  382   1HB   SER  50          1HB       SER  50   8.100   1.087  -1.095
  383   2HB   SER  50          2HB       SER  50   9.373   1.380   0.088
  384    HG   SER  50           HG       SER  50   8.164  -0.977   0.587
  385    H    ASN  51           H        ASN  51   7.089   2.536   3.015
  386    HA   ASN  51           HA       ASN  51   8.825   0.804   4.651
  387   1HB   ASN  51          1HB       ASN  51   8.879   3.122   6.087
  388   2HB   ASN  51          2HB       ASN  51  10.124   2.614   4.954
  389   1HD2  ASN  51          1HD2      ASN  51  10.020   3.451   2.783
  390   2HD2  ASN  51          2HD2      ASN  51   9.322   5.006   2.504
  391    H    TYR  52           H        TYR  52   5.762   2.325   4.374
  392    HA   TYR  52           HA       TYR  52   5.081   1.771   7.162
  393   1HB   TYR  52          1HB       TYR  52   3.564   3.165   4.957
  394   2HB   TYR  52          2HB       TYR  52   2.973   2.955   6.600
  395    HD1  TYR  52           HD1      TYR  52   6.538   3.587   6.343
  396    HD2  TYR  52           HD2      TYR  52   2.738   5.460   6.569
  397    HE1  TYR  52           HE1      TYR  52   7.622   5.682   6.995
  398    HE2  TYR  52           HE2      TYR  52   3.808   7.568   7.225
  399    HH   TYR  52           HH       TYR  52   5.731   8.539   7.875
  400    H    ILE  53           H        ILE  53   5.249  -0.166   4.577
  401    HA   ILE  53           HA       ILE  53   2.847  -1.648   5.392
  402    HB   ILE  53           HB       ILE  53   2.409  -2.328   3.110
  403   1HG1  ILE  53          1HG1      ILE  53   3.950  -0.477   1.598
  404   2HG1  ILE  53          2HG1      ILE  53   5.064  -1.346   2.649
  405   1HG2  ILE  53          1HG2      ILE  53   1.120  -0.492   3.566
  406   2HG2  ILE  53          2HG2      ILE  53   2.010   0.079   2.156
  407   3HG2  ILE  53          3HG2      ILE  53   2.511   0.572   3.773
  408   1HD1  ILE  53          1HD1      ILE  53   4.869  -3.230   1.473
  409   2HD1  ILE  53          2HD1      ILE  53   4.187  -2.198   0.216
  410   3HD1  ILE  53          3HD1      ILE  53   3.121  -3.068   1.319
  411    H    GLU  54           H        GLU  54   2.920  -3.944   4.586
  412    HA   GLU  54           HA       GLU  54   5.577  -5.080   4.260
  413   1HB   GLU  54          1HB       GLU  54   4.482  -4.847   6.829
  414   2HB   GLU  54          2HB       GLU  54   4.212  -6.523   6.376
  415   1HG   GLU  54          1HG       GLU  54   6.290  -6.943   7.002
  416   2HG   GLU  54          2HG       GLU  54   6.835  -6.002   5.615
  417    H    MET  55           H        MET  55   5.515  -6.818   2.994
  418    HA   MET  55           HA       MET  55   3.341  -7.590   1.534
  419   1HB   MET  55          1HB       MET  55   5.985  -8.748   2.107
  420   2HB   MET  55          2HB       MET  55   4.785  -9.901   1.538
  421   1HG   MET  55          1HG       MET  55   4.613  -8.923  -0.520
  422   2HG   MET  55          2HG       MET  55   5.110  -7.338   0.069
  423   1HE   MET  55          1HE       MET  55   7.938 -10.859  -0.852
  424   2HE   MET  55          2HE       MET  55   6.232 -10.808  -1.297
  425   3HE   MET  55          3HE       MET  55   6.698 -10.931   0.400
  426    H    LYS  56           H        LYS  56   1.570  -8.753   1.842
  427    HA   LYS  56           HA       LYS  56   1.435 -10.478   4.219
  428   1HB   LYS  56          1HB       LYS  56   0.072  -8.475   4.492
  429   2HB   LYS  56          2HB       LYS  56  -0.762  -8.809   2.984
  430   1HG   LYS  56          1HG       LYS  56  -2.092  -9.403   4.953
  431   2HG   LYS  56          2HG       LYS  56  -1.755 -10.798   3.928
  432   1HD   LYS  56          1HD       LYS  56  -0.330 -11.747   5.459
  433   2HD   LYS  56          2HD       LYS  56   0.101 -10.195   6.180
  434   1HE   LYS  56          1HE       LYS  56  -2.530 -11.638   6.498
  435   2HE   LYS  56          2HE       LYS  56  -1.254 -11.530   7.709
  436   1HZ   LYS  56          1HZ       LYS  56  -2.612  -9.843   8.374
  437   2HZ   LYS  56          2HZ       LYS  56  -3.143  -9.479   6.811
  438   3HZ   LYS  56          3HZ       LYS  56  -1.610  -8.980   7.319
  439    H    ASN  57           H        ASN  57  -1.235 -10.327   2.008
  440    HA   ASN  57           HA       ASN  57  -2.068 -11.765   0.446
  441   1HB   ASN  57          1HB       ASN  57   0.567 -13.246   0.549
  442   2HB   ASN  57          2HB       ASN  57  -0.679 -13.391  -0.679
  443   1HD2  ASN  57          1HD2      ASN  57  -0.560 -12.155  -2.413
  444   2HD2  ASN  57          2HD2      ASN  57   0.537 -10.837  -2.621
  445    H    HIS  58           H        HIS  58  -0.058 -13.506   2.850
  446    HA   HIS  58           HA       HIS  58  -2.077 -14.687   4.247
  447   1HB   HIS  58          1HB       HIS  58  -2.319 -15.791   1.823
  448   2HB   HIS  58          2HB       HIS  58  -1.067 -16.850   2.460
  449    HD1  HIS  58           HD1      HIS  58  -3.873 -15.468   4.555
  450    HD2  HIS  58           HD2      HIS  58  -2.685 -19.059   2.835
  451    HE1  HIS  58           HE1      HIS  58  -5.407 -17.212   5.516
  452    HE2  HIS  58           HE2      HIS  58  -4.617 -19.389   4.522
  453    H    ASP  59           H        ASP  59   1.128 -14.314   3.357
  454    HA   ASP  59           HA       ASP  59   3.097 -14.737   4.365
  455   1HB   ASP  59          1HB       ASP  59   1.617 -14.081   6.385
  456   2HB   ASP  59          2HB       ASP  59   1.630 -15.801   6.762
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   1.904 -10.198  -4.254
    2   2H    MET   1          2H        MET   1   1.089 -10.295  -2.751
    3   3H    MET   1          3H        MET   1   2.067  -8.934  -3.108
    4    HA   MET   1           HA       MET   1   0.611  -8.132  -4.651
    5   1HB   MET   1          1HB       MET   1   0.167 -10.240  -5.815
    6   2HB   MET   1          2HB       MET   1  -0.721 -10.846  -4.426
    7   1HG   MET   1          1HG       MET   1  -2.458 -10.259  -5.738
    8   2HG   MET   1          2HG       MET   1  -2.220  -8.720  -4.919
    9   1HE   MET   1          1HE       MET   1  -3.618  -7.529  -7.583
   10   2HE   MET   1          2HE       MET   1  -3.836  -9.250  -7.266
   11   3HE   MET   1          3HE       MET   1  -3.259  -8.710  -8.843
   12    H    GLU   2           H        GLU   2   0.195  -9.458  -1.599
   13    HA   GLU   2           HA       GLU   2  -1.968  -7.524  -1.095
   14   1HB   GLU   2          1HB       GLU   2  -1.572 -10.278  -0.054
   15   2HB   GLU   2          2HB       GLU   2  -2.238  -9.085   1.045
   16   1HG   GLU   2          1HG       GLU   2  -4.163  -8.825  -0.200
   17   2HG   GLU   2          2HG       GLU   2  -3.420  -9.453  -1.669
   18    H    ALA   3           H        ALA   3  -1.747  -6.245   0.840
   19    HA   ALA   3           HA       ALA   3   0.630  -6.675   2.453
   20   1HB   ALA   3          1HB       ALA   3   1.825  -4.891   1.803
   21   2HB   ALA   3          2HB       ALA   3   0.397  -3.872   1.621
   22   3HB   ALA   3          3HB       ALA   3   0.859  -4.982   0.331
   23    H    ILE   4           H        ILE   4   0.756  -5.029   4.220
   24    HA   ILE   4           HA       ILE   4  -1.867  -4.010   5.040
   25    HB   ILE   4           HB       ILE   4  -1.486  -4.858   7.354
   26   1HG1  ILE   4          1HG1      ILE   4   0.061  -7.035   7.229
   27   2HG1  ILE   4          2HG1      ILE   4   0.883  -6.073   6.005
   28   1HG2  ILE   4          1HG2      ILE   4  -2.649  -6.770   6.943
   29   2HG2  ILE   4          2HG2      ILE   4  -1.582  -7.274   5.634
   30   3HG2  ILE   4          3HG2      ILE   4  -2.785  -6.014   5.356
   31   1HD1  ILE   4          1HD1      ILE   4   1.494  -4.437   7.546
   32   2HD1  ILE   4          2HD1      ILE   4   1.731  -5.953   8.406
   33   3HD1  ILE   4          3HD1      ILE   4   0.302  -4.971   8.728
   34    H    ALA   5           H        ALA   5  -1.837  -2.195   6.267
   35    HA   ALA   5           HA       ALA   5   0.537  -0.622   6.270
   36   1HB   ALA   5          1HB       ALA   5  -2.274  -0.270   7.147
   37   2HB   ALA   5          2HB       ALA   5  -1.321   0.666   6.004
   38   3HB   ALA   5          3HB       ALA   5  -1.054   0.860   7.735
   39    H    LYS   6           H        LYS   6   2.057  -0.467   7.729
   40    HA   LYS   6           HA       LYS   6   1.726  -1.780  10.334
   41   1HB   LYS   6          1HB       LYS   6   3.933  -1.373   8.586
   42   2HB   LYS   6          2HB       LYS   6   4.273  -0.478  10.060
   43   1HG   LYS   6          1HG       LYS   6   3.415  -3.352  10.092
   44   2HG   LYS   6          2HG       LYS   6   5.103  -2.862   9.949
   45   1HD   LYS   6          1HD       LYS   6   4.555  -1.415  12.052
   46   2HD   LYS   6          2HD       LYS   6   3.224  -2.556  12.246
   47   1HE   LYS   6          1HE       LYS   6   4.612  -4.319  12.681
   48   2HE   LYS   6          2HE       LYS   6   5.939  -3.651  11.730
   49   1HZ   LYS   6          1HZ       LYS   6   5.753  -1.855  13.698
   50   2HZ   LYS   6          2HZ       LYS   6   6.782  -3.197  13.742
   51   3HZ   LYS   6          3HZ       LYS   6   5.284  -3.257  14.524
   52    H    HIS   7           H        HIS   7   1.520   1.269   8.910
   53    HA   HIS   7           HA       HIS   7   0.954   2.512  11.461
   54   1HB   HIS   7          1HB       HIS   7   3.028   3.763   9.653
   55   2HB   HIS   7          2HB       HIS   7   2.502   4.340  11.231
   56    HD1  HIS   7           HD1      HIS   7   2.984   2.342  13.199
   57    HD2  HIS   7           HD2      HIS   7   5.386   2.487   9.808
   58    HE1  HIS   7           HE1      HIS   7   5.093   1.113  13.813
   59    HE2  HIS   7           HE2      HIS   7   6.523   1.195  11.740
   60    H    ASP   8           H        ASP   8   0.479   4.911  11.024
   61    HA   ASP   8           HA       ASP   8  -1.613   4.932   9.031
   62   1HB   ASP   8          1HB       ASP   8  -2.150   7.181  10.009
   63   2HB   ASP   8          2HB       ASP   8  -2.128   5.886  11.200
   64    H    PHE   9           H        PHE   9  -0.390   4.880   7.050
   65    HA   PHE   9           HA       PHE   9   1.573   6.955   6.660
   66   1HB   PHE   9          1HB       PHE   9   2.206   5.229   5.307
   67   2HB   PHE   9          2HB       PHE   9   0.551   4.700   5.042
   68    HD1  PHE   9           HD1      PHE   9   2.438   7.855   4.336
   69    HD2  PHE   9           HD2      PHE   9  -0.037   4.740   2.843
   70    HE1  PHE   9           HE1      PHE   9   2.462   8.896   2.108
   71    HE2  PHE   9           HE2      PHE   9  -0.003   5.776   0.622
   72    HZ   PHE   9           HZ       PHE   9   1.252   7.842   0.253
   73    H    SER  10           H        SER  10   1.237   8.866   5.921
   74    HA   SER  10           HA       SER  10  -1.219   9.486   4.417
   75   1HB   SER  10          1HB       SER  10  -0.904  10.528   6.797
   76   2HB   SER  10          2HB       SER  10   0.348  11.508   6.033
   77    HG   SER  10           HG       SER  10  -1.393  12.042   4.461
   78    H    ALA  11           H        ALA  11  -0.960  10.202   2.493
   79    HA   ALA  11           HA       ALA  11   1.345   9.910   1.043
   80   1HB   ALA  11          1HB       ALA  11   0.238  11.145  -0.697
   81   2HB   ALA  11          2HB       ALA  11  -0.944  11.754   0.461
   82   3HB   ALA  11          3HB       ALA  11  -0.873  10.034   0.094
   83    H    THR  12           H        THR  12   3.010  11.039   0.488
   84    HA   THR  12           HA       THR  12   3.253  13.747   1.568
   85    HB   THR  12           HB       THR  12   5.191  11.464   1.303
   86    HG1  THR  12           HG1      THR  12   5.024  11.739   3.357
   87   1HG2  THR  12          1HG2      THR  12   6.903  13.469   1.947
   88   2HG2  THR  12          2HG2      THR  12   5.939  14.248   0.696
   89   3HG2  THR  12          3HG2      THR  12   6.771  12.733   0.350
   90    H    ALA  13           H        ALA  13   2.371  12.319  -1.081
   91    HA   ALA  13           HA       ALA  13   3.071  14.591  -2.729
   92   1HB   ALA  13          1HB       ALA  13   4.775  13.453  -3.676
   93   2HB   ALA  13          2HB       ALA  13   3.487  12.603  -4.529
   94   3HB   ALA  13          3HB       ALA  13   4.198  11.898  -3.077
   95    H    ASP  14           H        ASP  14   1.833  14.561  -4.716
   96    HA   ASP  14           HA       ASP  14  -0.878  14.127  -4.187
   97   1HB   ASP  14          1HB       ASP  14  -1.172  14.692  -6.656
   98   2HB   ASP  14          2HB       ASP  14  -0.377  15.889  -5.640
   99    H    ASP  15           H        ASP  15   1.412  12.126  -5.858
  100    HA   ASP  15           HA       ASP  15  -0.674  10.477  -6.990
  101   1HB   ASP  15          1HB       ASP  15   2.213  10.835  -7.378
  102   2HB   ASP  15          2HB       ASP  15   1.619   9.193  -7.615
  103    H    GLU  16           H        GLU  16   0.048  10.552  -4.015
  104    HA   GLU  16           HA       GLU  16   0.291   7.634  -3.541
  105   1HB   GLU  16          1HB       GLU  16   1.451   9.998  -2.126
  106   2HB   GLU  16          2HB       GLU  16   0.995   8.590  -1.182
  107   1HG   GLU  16          1HG       GLU  16   2.829   7.511  -1.778
  108   2HG   GLU  16          2HG       GLU  16   2.485   7.788  -3.474
  109    H    LEU  17           H        LEU  17  -1.379   6.709  -2.403
  110    HA   LEU  17           HA       LEU  17  -3.643   8.311  -1.624
  111   1HB   LEU  17          1HB       LEU  17  -3.573   5.933  -2.621
  112   2HB   LEU  17          2HB       LEU  17  -3.265   5.407  -0.980
  113    HG   LEU  17           HG       LEU  17  -5.498   7.084  -0.782
  114   1HD1  LEU  17          1HD1      LEU  17  -7.089   6.215  -2.353
  115   2HD1  LEU  17          2HD1      LEU  17  -5.863   5.178  -3.083
  116   3HD1  LEU  17          3HD1      LEU  17  -5.739   6.933  -3.232
  117   1HD2  LEU  17          1HD2      LEU  17  -5.978   4.185  -1.008
  118   2HD2  LEU  17          2HD2      LEU  17  -6.395   5.313   0.282
  119   3HD2  LEU  17          3HD2      LEU  17  -4.754   4.678   0.161
  120    H    SER  18           H        SER  18  -4.155   6.300   0.700
  121    HA   SER  18           HA       SER  18  -2.241   6.974   2.723
  122   1HB   SER  18          1HB       SER  18  -4.280   7.892   4.122
  123   2HB   SER  18          2HB       SER  18  -3.341   8.973   3.091
  124    HG   SER  18           HG       SER  18  -4.986   9.147   1.749
  125    H    PHE  19           H        PHE  19  -2.717   5.781   4.703
  126    HA   PHE  19           HA       PHE  19  -4.997   4.070   4.866
  127   1HB   PHE  19          1HB       PHE  19  -3.757   1.917   4.726
  128   2HB   PHE  19          2HB       PHE  19  -3.878   2.776   3.194
  129    HD1  PHE  19           HD1      PHE  19  -1.523   2.775   6.120
  130    HD2  PHE  19           HD2      PHE  19  -2.038   2.649   1.904
  131    HE1  PHE  19           HE1      PHE  19   0.915   2.628   5.828
  132    HE2  PHE  19           HE2      PHE  19   0.382   2.487   1.626
  133    HZ   PHE  19           HZ       PHE  19   1.866   2.480   3.569
  134    H    ARG  20           H        ARG  20  -4.776   2.451   6.718
  135    HA   ARG  20           HA       ARG  20  -2.955   3.508   8.776
  136   1HB   ARG  20          1HB       ARG  20  -4.732   3.373  10.432
  137   2HB   ARG  20          2HB       ARG  20  -5.201   4.438   9.113
  138   1HG   ARG  20          1HG       ARG  20  -6.618   2.736   8.181
  139   2HG   ARG  20          2HG       ARG  20  -6.064   1.567   9.383
  140   1HD   ARG  20          1HD       ARG  20  -7.019   2.909  11.163
  141   2HD   ARG  20          2HD       ARG  20  -7.518   4.133  10.000
  142    HE   ARG  20           HE       ARG  20  -8.643   1.416  10.198
  143   1HH1  ARG  20          1HH1      ARG  20  -8.910   4.753   9.164
  144   2HH1  ARG  20          2HH1      ARG  20 -10.573   4.602   8.711
  145   1HH2  ARG  20          1HH2      ARG  20 -10.841   1.244   9.605
  146   2HH2  ARG  20          2HH2      ARG  20 -11.664   2.628   8.968
  147    H    LYS  21           H        LYS  21  -2.574   2.114  10.565
  148    HA   LYS  21           HA       LYS  21  -1.722  -0.419   9.869
  149   1HB   LYS  21          1HB       LYS  21  -0.956   0.899  11.831
  150   2HB   LYS  21          2HB       LYS  21  -2.442   0.455  12.658
  151   1HG   LYS  21          1HG       LYS  21  -0.888  -1.794  11.564
  152   2HG   LYS  21          2HG       LYS  21  -0.121  -0.899  12.878
  153   1HD   LYS  21          1HD       LYS  21  -2.885  -1.355  13.494
  154   2HD   LYS  21          2HD       LYS  21  -2.114  -2.881  13.063
  155   1HE   LYS  21          1HE       LYS  21  -1.087  -2.967  15.033
  156   2HE   LYS  21          2HE       LYS  21  -0.377  -1.374  14.774
  157   1HZ   LYS  21          1HZ       LYS  21  -2.763  -2.120  16.276
  158   2HZ   LYS  21          2HZ       LYS  21  -2.829  -0.658  15.428
  159   3HZ   LYS  21          3HZ       LYS  21  -1.622  -0.909  16.585
  160    H    GLY  22           H        GLY  22  -2.538  -2.397   9.794
  161   1HA   GLY  22          1HA       GLY  22  -3.945  -4.158  10.468
  162   2HA   GLY  22          2HA       GLY  22  -5.085  -2.983  11.092
  163    H    GLN  23           H        GLN  23  -4.759  -1.559   8.306
  164    HA   GLN  23           HA       GLN  23  -7.069  -2.835   7.198
  165   1HB   GLN  23          1HB       GLN  23  -6.032  -0.298   7.072
  166   2HB   GLN  23          2HB       GLN  23  -5.712  -0.918   5.459
  167   1HG   GLN  23          1HG       GLN  23  -7.840   0.253   5.561
  168   2HG   GLN  23          2HG       GLN  23  -8.069  -1.453   5.182
  169   1HE2  GLN  23          1HE2      GLN  23  -9.961  -1.999   6.035
  170   2HE2  GLN  23          2HE2      GLN  23 -10.459  -1.696   7.662
  171    H    ILE  24           H        ILE  24  -7.318  -3.465   4.886
  172    HA   ILE  24           HA       ILE  24  -4.940  -4.953   4.013
  173    HB   ILE  24           HB       ILE  24  -7.717  -5.452   3.006
  174   1HG1  ILE  24          1HG1      ILE  24  -7.968  -5.623   5.379
  175   2HG1  ILE  24          2HG1      ILE  24  -7.828  -7.265   4.760
  176   1HG2  ILE  24          1HG2      ILE  24  -6.628  -6.941   1.769
  177   2HG2  ILE  24          2HG2      ILE  24  -6.231  -7.812   3.250
  178   3HG2  ILE  24          3HG2      ILE  24  -5.116  -6.606   2.609
  179   1HD1  ILE  24          1HD1      ILE  24  -5.260  -6.811   5.318
  180   2HD1  ILE  24          2HD1      ILE  24  -6.401  -7.444   6.502
  181   3HD1  ILE  24          3HD1      ILE  24  -5.999  -5.728   6.497
  182    H    LEU  25           H        LEU  25  -3.817  -3.937   2.508
  183    HA   LEU  25           HA       LEU  25  -5.197  -2.409   0.412
  184   1HB   LEU  25          1HB       LEU  25  -2.349  -2.464   1.365
  185   2HB   LEU  25          2HB       LEU  25  -2.840  -1.627  -0.095
  186    HG   LEU  25           HG       LEU  25  -4.460  -0.898   2.222
  187   1HD1  LEU  25          1HD1      LEU  25  -2.451   0.608   2.978
  188   2HD1  LEU  25          2HD1      LEU  25  -1.495  -0.734   2.361
  189   3HD1  LEU  25          3HD1      LEU  25  -2.676  -1.004   3.643
  190   1HD2  LEU  25          1HD2      LEU  25  -2.758   0.894   0.522
  191   2HD2  LEU  25          2HD2      LEU  25  -4.293   1.246   1.313
  192   3HD2  LEU  25          3HD2      LEU  25  -4.249   0.190  -0.098
  193    H    LYS  26           H        LYS  26  -5.221  -3.074  -1.688
  194    HA   LYS  26           HA       LYS  26  -3.796  -5.541  -2.377
  195   1HB   LYS  26          1HB       LYS  26  -6.125  -4.094  -3.611
  196   2HB   LYS  26          2HB       LYS  26  -5.232  -5.307  -4.519
  197   1HG   LYS  26          1HG       LYS  26  -5.876  -6.349  -1.938
  198   2HG   LYS  26          2HG       LYS  26  -7.333  -5.702  -2.697
  199   1HD   LYS  26          1HD       LYS  26  -7.317  -7.251  -4.363
  200   2HD   LYS  26          2HD       LYS  26  -5.555  -7.353  -4.401
  201   1HE   LYS  26          1HE       LYS  26  -5.631  -8.614  -2.271
  202   2HE   LYS  26          2HE       LYS  26  -7.392  -8.574  -2.344
  203   1HZ   LYS  26          1HZ       LYS  26  -7.443 -10.198  -3.857
  204   2HZ   LYS  26          2HZ       LYS  26  -5.861 -10.537  -3.365
  205   3HZ   LYS  26          3HZ       LYS  26  -6.134  -9.586  -4.737
  206    H    ILE  27           H        ILE  27  -1.988  -5.498  -3.514
  207    HA   ILE  27           HA       ILE  27  -1.134  -3.009  -4.759
  208    HB   ILE  27           HB       ILE  27   0.395  -5.600  -4.712
  209   1HG1  ILE  27          1HG1      ILE  27   0.818  -3.399  -2.721
  210   2HG1  ILE  27          2HG1      ILE  27  -0.393  -4.638  -2.418
  211   1HG2  ILE  27          1HG2      ILE  27   1.134  -3.812  -6.269
  212   2HG2  ILE  27          2HG2      ILE  27   2.332  -4.205  -5.033
  213   3HG2  ILE  27          3HG2      ILE  27   1.351  -2.747  -4.881
  214   1HD1  ILE  27          1HD1      ILE  27   2.340  -5.515  -3.161
  215   2HD1  ILE  27          2HD1      ILE  27   1.158  -6.267  -2.091
  216   3HD1  ILE  27          3HD1      ILE  27   2.076  -4.866  -1.544
  217    H    LEU  28           H        LEU  28  -0.711  -2.722  -6.881
  218    HA   LEU  28           HA       LEU  28  -1.650  -4.786  -8.786
  219   1HB   LEU  28          1HB       LEU  28  -1.753  -1.791  -9.100
  220   2HB   LEU  28          2HB       LEU  28  -2.294  -2.975 -10.273
  221    HG   LEU  28           HG       LEU  28  -3.687  -3.563  -7.906
  222   1HD1  LEU  28          1HD1      LEU  28  -4.146  -1.679  -6.824
  223   2HD1  LEU  28          2HD1      LEU  28  -4.560  -0.844  -8.321
  224   3HD1  LEU  28          3HD1      LEU  28  -2.883  -0.897  -7.775
  225   1HD2  LEU  28          1HD2      LEU  28  -5.257  -3.797  -9.457
  226   2HD2  LEU  28          2HD2      LEU  28  -4.192  -3.047 -10.643
  227   3HD2  LEU  28          3HD2      LEU  28  -5.302  -2.055  -9.708
  228    H    ASN  29           H        ASN  29   0.654  -2.232  -8.084
  229    HA   ASN  29           HA       ASN  29   2.590  -3.466  -9.872
  230   1HB   ASN  29          1HB       ASN  29   2.836  -1.791 -11.364
  231   2HB   ASN  29          2HB       ASN  29   1.132  -1.577 -11.003
  232   1HD2  ASN  29          1HD2      ASN  29   4.333  -0.492  -9.925
  233   2HD2  ASN  29          2HD2      ASN  29   3.852   1.131  -9.593
  234    H    MET  30           H        MET  30   4.546  -3.431  -8.895
  235    HA   MET  30           HA       MET  30   5.249  -1.259  -7.079
  236   1HB   MET  30          1HB       MET  30   5.999  -2.922  -5.358
  237   2HB   MET  30          2HB       MET  30   4.255  -2.787  -5.537
  238   1HG   MET  30          1HG       MET  30   4.217  -4.824  -6.855
  239   2HG   MET  30          2HG       MET  30   5.974  -4.940  -6.750
  240   1HE   MET  30          1HE       MET  30   6.971  -6.113  -3.619
  241   2HE   MET  30          2HE       MET  30   7.177  -5.922  -5.361
  242   3HE   MET  30          3HE       MET  30   6.414  -7.375  -4.718
  243    H    GLU  31           H        GLU  31   6.207  -2.150  -9.721
  244    HA   GLU  31           HA       GLU  31   8.931  -2.987  -8.988
  245   1HB   GLU  31          1HB       GLU  31   7.114  -4.261 -10.547
  246   2HB   GLU  31          2HB       GLU  31   8.114  -3.442 -11.730
  247   1HG   GLU  31          1HG       GLU  31  10.107  -4.438 -10.631
  248   2HG   GLU  31          2HG       GLU  31   9.018  -5.373  -9.610
  249    H    ASP  32           H        ASP  32   7.722  -0.152  -9.438
  250    HA   ASP  32           HA       ASP  32   9.546   0.408 -11.612
  251   1HB   ASP  32          1HB       ASP  32   8.341   2.578 -12.009
  252   2HB   ASP  32          2HB       ASP  32   7.413   1.114 -12.317
  253    H    ASP  33           H        ASP  33   9.733   0.352  -8.542
  254    HA   ASP  33           HA       ASP  33  12.086   2.055  -8.544
  255   1HB   ASP  33          1HB       ASP  33   9.548   3.055  -7.680
  256   2HB   ASP  33          2HB       ASP  33  10.601   2.909  -6.278
  257    H    SER  34           H        SER  34   9.813   0.123  -6.647
  258    HA   SER  34           HA       SER  34  10.315  -1.696  -5.265
  259   1HB   SER  34          1HB       SER  34  12.955  -1.024  -5.943
  260   2HB   SER  34          2HB       SER  34  12.881  -0.856  -4.189
  261    HG   SER  34           HG       SER  34  11.912  -3.120  -5.581
  262    H    ASN  35           H        ASN  35  11.663   1.525  -4.384
  263    HA   ASN  35           HA       ASN  35  10.725   1.164  -1.706
  264   1HB   ASN  35          1HB       ASN  35  12.479   3.013  -3.079
  265   2HB   ASN  35          2HB       ASN  35  11.413   3.857  -1.960
  266   1HD2  ASN  35          1HD2      ASN  35  14.216   2.059  -2.305
  267   2HD2  ASN  35          2HD2      ASN  35  14.554   1.782  -0.633
  268    H    TRP  36           H        TRP  36   8.960   1.904  -4.387
  269    HA   TRP  36           HA       TRP  36   6.958   3.209  -2.721
  270   1HB   TRP  36          1HB       TRP  36   7.987   4.279  -5.363
  271   2HB   TRP  36          2HB       TRP  36   6.466   4.791  -4.642
  272    HD1  TRP  36           HD1      TRP  36  10.097   5.609  -4.651
  273    HE1  TRP  36           HE1      TRP  36  10.624   7.367  -2.845
  274    HE3  TRP  36           HE3      TRP  36   5.694   5.464  -2.041
  275    HZ2  TRP  36           HZ2      TRP  36   9.350   8.541  -0.624
  276    HZ3  TRP  36           HZ3      TRP  36   5.438   6.937  -0.085
  277    HH2  TRP  36           HH2      TRP  36   7.229   8.442   0.607
  278    H    TYR  37           H        TYR  37   4.847   2.389  -3.245
  279    HA   TYR  37           HA       TYR  37   4.666   1.103  -5.859
  280   1HB   TYR  37          1HB       TYR  37   3.252  -0.740  -4.428
  281   2HB   TYR  37          2HB       TYR  37   4.862  -0.950  -5.089
  282    HD1  TYR  37           HD1      TYR  37   5.841  -2.408  -3.608
  283    HD2  TYR  37           HD2      TYR  37   3.851   1.015  -2.125
  284    HE1  TYR  37           HE1      TYR  37   6.648  -2.948  -1.353
  285    HE2  TYR  37           HE2      TYR  37   4.640   0.509   0.148
  286    HH   TYR  37           HH       TYR  37   6.693  -2.323   0.789
  287    H    ARG  38           H        ARG  38   2.618   0.571  -6.603
  288    HA   ARG  38           HA       ARG  38   0.567   2.489  -5.743
  289   1HB   ARG  38          1HB       ARG  38   1.434   1.276  -8.262
  290   2HB   ARG  38          2HB       ARG  38  -0.306   1.435  -8.079
  291   1HG   ARG  38          1HG       ARG  38  -0.246   3.679  -8.261
  292   2HG   ARG  38          2HG       ARG  38   1.263   3.816  -7.359
  293   1HD   ARG  38          1HD       ARG  38   1.974   4.440  -9.447
  294   2HD   ARG  38          2HD       ARG  38   2.277   2.707  -9.520
  295    HE   ARG  38           HE       ARG  38  -0.217   2.901 -10.497
  296   1HH1  ARG  38          1HH1      ARG  38   2.726   4.621 -11.241
  297   2HH1  ARG  38          2HH1      ARG  38   2.293   4.892 -12.895
  298   1HH2  ARG  38          1HH2      ARG  38  -0.790   3.271 -12.666
  299   2HH2  ARG  38          2HH2      ARG  38   0.306   4.119 -13.705
  300    H    ALA  39           H        ALA  39  -1.382   1.773  -4.914
  301    HA   ALA  39           HA       ALA  39  -2.098  -1.019  -5.395
  302   1HB   ALA  39          1HB       ALA  39  -2.710  -0.380  -2.657
  303   2HB   ALA  39          2HB       ALA  39  -0.979  -0.249  -2.966
  304   3HB   ALA  39          3HB       ALA  39  -1.830  -1.753  -3.323
  305    H    GLU  40           H        GLU  40  -4.300  -1.547  -4.676
  306    HA   GLU  40           HA       GLU  40  -6.079   0.757  -5.080
  307   1HB   GLU  40          1HB       GLU  40  -6.054  -1.953  -6.132
  308   2HB   GLU  40          2HB       GLU  40  -7.594  -1.562  -5.374
  309   1HG   GLU  40          1HG       GLU  40  -8.103   0.053  -6.898
  310   2HG   GLU  40          2HG       GLU  40  -6.414   0.422  -7.237
  311    H    LEU  41           H        LEU  41  -7.570   1.265  -3.571
  312    HA   LEU  41           HA       LEU  41  -8.267  -0.658  -1.495
  313   1HB   LEU  41          1HB       LEU  41  -6.385   0.560  -0.529
  314   2HB   LEU  41          2HB       LEU  41  -7.157   2.089  -0.899
  315    HG   LEU  41           HG       LEU  41  -9.072   1.202   0.634
  316   1HD1  LEU  41          1HD1      LEU  41  -6.890  -0.736   1.080
  317   2HD1  LEU  41          2HD1      LEU  41  -8.635  -0.932   1.232
  318   3HD1  LEU  41          3HD1      LEU  41  -7.721  -0.137   2.515
  319   1HD2  LEU  41          1HD2      LEU  41  -8.232   2.970   1.710
  320   2HD2  LEU  41          2HD2      LEU  41  -6.593   2.613   1.170
  321   3HD2  LEU  41          3HD2      LEU  41  -7.235   1.825   2.610
  322    H    ASP  42           H        ASP  42 -10.372  -0.567  -1.066
  323    HA   ASP  42           HA       ASP  42 -12.565  -0.001  -1.314
  324   1HB   ASP  42          1HB       ASP  42 -11.237   2.246  -0.171
  325   2HB   ASP  42          2HB       ASP  42 -12.428   2.856  -1.316
  326    H    GLY  43           H        GLY  43 -10.767  -0.153  -3.680
  327   1HA   GLY  43          1HA       GLY  43 -11.288  -0.091  -5.949
  328   2HA   GLY  43          2HA       GLY  43 -12.628   0.983  -5.586
  329    H    LYS  44           H        LYS  44  -9.594   1.893  -4.246
  330    HA   LYS  44           HA       LYS  44  -9.252   3.918  -6.367
  331   1HB   LYS  44          1HB       LYS  44 -10.113   4.671  -4.088
  332   2HB   LYS  44          2HB       LYS  44  -8.532   4.229  -3.458
  333   1HG   LYS  44          1HG       LYS  44  -8.342   6.504  -3.848
  334   2HG   LYS  44          2HG       LYS  44  -7.591   5.776  -5.271
  335   1HD   LYS  44          1HD       LYS  44 -10.489   6.272  -5.478
  336   2HD   LYS  44          2HD       LYS  44  -9.477   7.712  -5.367
  337   1HE   LYS  44          1HE       LYS  44  -8.505   5.657  -7.231
  338   2HE   LYS  44          2HE       LYS  44 -10.040   6.396  -7.679
  339   1HZ   LYS  44          1HZ       LYS  44  -8.728   7.958  -8.579
  340   2HZ   LYS  44          2HZ       LYS  44  -7.383   7.543  -7.640
  341   3HZ   LYS  44          3HZ       LYS  44  -8.586   8.541  -6.996
  342    H    GLU  45           H        GLU  45  -7.171   4.298  -7.103
  343    HA   GLU  45           HA       GLU  45  -5.073   2.576  -5.971
  344   1HB   GLU  45          1HB       GLU  45  -5.510   2.175  -8.376
  345   2HB   GLU  45          2HB       GLU  45  -5.185   3.870  -8.707
  346   1HG   GLU  45          1HG       GLU  45  -2.866   3.485  -7.779
  347   2HG   GLU  45          2HG       GLU  45  -3.235   1.763  -7.808
  348    H    GLY  46           H        GLY  46  -2.969   3.448  -5.761
  349   1HA   GLY  46          1HA       GLY  46  -2.243   6.144  -5.943
  350   2HA   GLY  46          2HA       GLY  46  -2.992   5.900  -4.373
  351    H    LEU  47           H        LEU  47  -0.208   6.526  -5.188
  352    HA   LEU  47           HA       LEU  47   1.445   4.285  -4.614
  353   1HB   LEU  47          1HB       LEU  47   1.841   7.212  -4.857
  354   2HB   LEU  47          2HB       LEU  47   3.080   6.273  -4.051
  355    HG   LEU  47           HG       LEU  47   3.113   4.818  -6.152
  356   1HD1  LEU  47          1HD1      LEU  47   2.209   5.629  -8.133
  357   2HD1  LEU  47          2HD1      LEU  47   1.952   7.243  -7.475
  358   3HD1  LEU  47          3HD1      LEU  47   0.922   5.905  -6.961
  359   1HD2  LEU  47          1HD2      LEU  47   4.621   6.862  -5.352
  360   2HD2  LEU  47          2HD2      LEU  47   3.994   7.560  -6.846
  361   3HD2  LEU  47          3HD2      LEU  47   4.881   6.035  -6.887
  362    H    ILE  48           H        ILE  48   2.704   3.926  -2.788
  363    HA   ILE  48           HA       ILE  48   2.047   5.333  -0.315
  364    HB   ILE  48           HB       ILE  48   1.651   3.296   0.961
  365   1HG1  ILE  48          1HG1      ILE  48   1.176   1.593  -1.386
  366   2HG1  ILE  48          2HG1      ILE  48   2.864   1.971  -1.077
  367   1HG2  ILE  48          1HG2      ILE  48  -0.164   3.655  -1.420
  368   2HG2  ILE  48          2HG2      ILE  48  -0.344   4.353   0.187
  369   3HG2  ILE  48          3HG2      ILE  48  -0.551   2.623  -0.047
  370   1HD1  ILE  48          1HD1      ILE  48   2.904   0.803   0.879
  371   2HD1  ILE  48          2HD1      ILE  48   1.726  -0.140  -0.032
  372   3HD1  ILE  48          3HD1      ILE  48   1.185   1.020   1.176
  373    HA   PRO  49           HA       PRO  49   6.347   4.884   0.351
  374   1HB   PRO  49          1HB       PRO  49   6.507   5.020   3.104
  375   2HB   PRO  49          2HB       PRO  49   6.284   6.417   2.045
  376   1HG   PRO  49          1HG       PRO  49   4.243   4.898   3.614
  377   2HG   PRO  49          2HG       PRO  49   4.369   6.639   3.318
  378   1HD   PRO  49          1HD       PRO  49   2.638   5.037   1.969
  379   2HD   PRO  49          2HD       PRO  49   3.366   6.491   1.266
  380    H    SER  50           H        SER  50   7.368   3.095   0.020
  381    HA   SER  50           HA       SER  50   6.529   0.573   0.567
  382   1HB   SER  50          1HB       SER  50   8.878   1.734  -0.553
  383   2HB   SER  50          2HB       SER  50   9.311   0.342   0.425
  384    HG   SER  50           HG       SER  50   8.626  -0.815  -1.173
  385    H    ASN  51           H        ASN  51   8.860   2.266   2.598
  386    HA   ASN  51           HA       ASN  51   9.234  -0.017   4.291
  387   1HB   ASN  51          1HB       ASN  51  10.456   2.485   3.925
  388   2HB   ASN  51          2HB       ASN  51   9.869   2.486   5.585
  389   1HD2  ASN  51          1HD2      ASN  51  10.312   0.355   6.745
  390   2HD2  ASN  51          2HD2      ASN  51  11.911  -0.274   6.573
  391    H    TYR  52           H        TYR  52   6.583   1.969   3.920
  392    HA   TYR  52           HA       TYR  52   5.853   1.937   6.752
  393   1HB   TYR  52          1HB       TYR  52   4.999   3.435   4.369
  394   2HB   TYR  52          2HB       TYR  52   3.736   3.092   5.546
  395    HD1  TYR  52           HD1      TYR  52   7.300   4.240   5.557
  396    HD2  TYR  52           HD2      TYR  52   3.374   4.729   7.125
  397    HE1  TYR  52           HE1      TYR  52   8.093   6.109   6.941
  398    HE2  TYR  52           HE2      TYR  52   4.156   6.601   8.517
  399    HH   TYR  52           HH       TYR  52   7.239   8.048   8.096
  400    H    ILE  53           H        ILE  53   5.546  -0.281   4.326
  401    HA   ILE  53           HA       ILE  53   3.122  -1.352   5.592
  402    HB   ILE  53           HB       ILE  53   2.309  -2.216   3.440
  403   1HG1  ILE  53          1HG1      ILE  53   3.846  -0.414   1.746
  404   2HG1  ILE  53          2HG1      ILE  53   4.866  -1.606   2.540
  405   1HG2  ILE  53          1HG2      ILE  53   1.137  -0.335   2.950
  406   2HG2  ILE  53          2HG2      ILE  53   2.567   0.695   2.945
  407   3HG2  ILE  53          3HG2      ILE  53   1.856   0.182   4.475
  408   1HD1  ILE  53          1HD1      ILE  53   2.751  -3.110   1.662
  409   2HD1  ILE  53          2HD1      ILE  53   4.317  -2.953   0.864
  410   3HD1  ILE  53          3HD1      ILE  53   2.968  -1.930   0.370
  411    H    GLU  54           H        GLU  54   2.859  -3.757   4.548
  412    HA   GLU  54           HA       GLU  54   5.469  -5.041   4.365
  413   1HB   GLU  54          1HB       GLU  54   4.234  -4.805   6.836
  414   2HB   GLU  54          2HB       GLU  54   3.809  -6.431   6.317
  415   1HG   GLU  54          1HG       GLU  54   6.629  -5.414   6.266
  416   2HG   GLU  54          2HG       GLU  54   5.912  -6.164   7.692
  417    H    MET  55           H        MET  55   5.461  -6.720   3.055
  418    HA   MET  55           HA       MET  55   3.264  -7.432   1.500
  419   1HB   MET  55          1HB       MET  55   4.632  -9.287   0.696
  420   2HB   MET  55          2HB       MET  55   5.605  -7.829   0.835
  421   1HG   MET  55          1HG       MET  55   6.736  -8.621   2.719
  422   2HG   MET  55          2HG       MET  55   5.530  -9.868   3.028
  423   1HE   MET  55          1HE       MET  55   6.868  -8.917  -0.421
  424   2HE   MET  55          2HE       MET  55   8.144 -10.089  -0.749
  425   3HE   MET  55          3HE       MET  55   8.415  -8.791   0.415
  426    H    LYS  56           H        LYS  56   1.700  -8.942   1.662
  427    HA   LYS  56           HA       LYS  56   1.750 -10.738   3.988
  428   1HB   LYS  56          1HB       LYS  56   0.298  -8.744   4.346
  429   2HB   LYS  56          2HB       LYS  56  -0.664  -9.223   2.959
  430   1HG   LYS  56          1HG       LYS  56  -1.779  -9.878   4.965
  431   2HG   LYS  56          2HG       LYS  56  -1.220 -11.328   4.127
  432   1HD   LYS  56          1HD       LYS  56  -0.034 -11.948   5.908
  433   2HD   LYS  56          2HD       LYS  56   0.823 -10.407   5.913
  434   1HE   LYS  56          1HE       LYS  56  -0.170 -10.026   7.875
  435   2HE   LYS  56          2HE       LYS  56  -1.647  -9.756   6.950
  436   1HZ   LYS  56          1HZ       LYS  56  -2.389 -11.362   8.338
  437   2HZ   LYS  56          2HZ       LYS  56  -0.860 -12.050   8.569
  438   3HZ   LYS  56          3HZ       LYS  56  -1.731 -12.381   7.158
  439    H    ASN  57           H        ASN  57  -1.012 -10.591   1.848
  440    HA   ASN  57           HA       ASN  57  -1.821 -11.990   0.265
  441   1HB   ASN  57          1HB       ASN  57   0.511 -11.589  -0.722
  442   2HB   ASN  57          2HB       ASN  57   0.915 -13.181  -0.087
  443   1HD2  ASN  57          1HD2      ASN  57   0.052 -11.674  -2.796
  444   2HD2  ASN  57          2HD2      ASN  57  -0.805 -12.930  -3.610
  445    H    HIS  58           H        HIS  58   0.438 -13.601   2.511
  446    HA   HIS  58           HA       HIS  58   0.349 -15.510   3.596
  447   1HB   HIS  58          1HB       HIS  58  -1.816 -14.263   4.287
  448   2HB   HIS  58          2HB       HIS  58  -2.626 -15.560   3.413
  449    HD1  HIS  58           HD1      HIS  58  -0.475 -14.927   6.418
  450    HD2  HIS  58           HD2      HIS  58  -2.636 -18.022   4.687
  451    HE1  HIS  58           HE1      HIS  58  -0.524 -16.754   8.142
  452    HE2  HIS  58           HE2      HIS  58  -1.819 -18.630   7.068
  453    H    ASP  59           H        ASP  59   1.285 -16.501   1.685
  454    HA   ASP  59           HA       ASP  59  -0.116 -18.930   1.060
  455   1HB   ASP  59          1HB       ASP  59   0.111 -18.682  -1.419
  456   2HB   ASP  59          2HB       ASP  59  -1.076 -17.596  -0.704
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   1.354 -10.831  -4.151
    2   2H    MET   1          2H        MET   1   0.160 -11.292  -3.008
    3   3H    MET   1          3H        MET   1   1.191  -9.957  -2.686
    4    HA   MET   1           HA       MET   1   0.258  -8.872  -4.663
    5   1HB   MET   1          1HB       MET   1  -0.819 -11.415  -5.052
    6   2HB   MET   1          2HB       MET   1  -2.189 -10.481  -4.462
    7   1HG   MET   1          1HG       MET   1  -2.120 -10.468  -6.882
    8   2HG   MET   1          2HG       MET   1  -1.854  -8.848  -6.242
    9   1HE   MET   1          1HE       MET   1  -0.653 -11.257  -8.931
   10   2HE   MET   1          2HE       MET   1  -0.147 -12.077  -7.455
   11   3HE   MET   1          3HE       MET   1   1.063 -11.464  -8.581
   12    H    GLU   2           H        GLU   2  -0.402  -9.898  -1.552
   13    HA   GLU   2           HA       GLU   2  -2.109  -7.543  -1.213
   14   1HB   GLU   2          1HB       GLU   2  -2.599 -10.286  -0.243
   15   2HB   GLU   2          2HB       GLU   2  -2.875  -9.013   0.938
   16   1HG   GLU   2          1HG       GLU   2  -4.030  -8.520  -1.714
   17   2HG   GLU   2          2HG       GLU   2  -4.712  -9.888  -0.836
   18    H    ALA   3           H        ALA   3  -1.774  -6.312   0.713
   19    HA   ALA   3           HA       ALA   3   0.391  -7.164   2.507
   20   1HB   ALA   3          1HB       ALA   3   1.863  -5.574   1.947
   21   2HB   ALA   3          2HB       ALA   3   0.608  -4.358   1.707
   22   3HB   ALA   3          3HB       ALA   3   0.976  -5.511   0.424
   23    H    ILE   4           H        ILE   4   0.585  -6.007   4.412
   24    HA   ILE   4           HA       ILE   4  -1.885  -4.605   5.226
   25    HB   ILE   4           HB       ILE   4  -0.156  -6.108   7.168
   26   1HG1  ILE   4          1HG1      ILE   4  -0.939  -7.687   5.433
   27   2HG1  ILE   4          2HG1      ILE   4  -1.657  -8.008   7.008
   28   1HG2  ILE   4          1HG2      ILE   4  -2.034  -4.301   7.664
   29   2HG2  ILE   4          2HG2      ILE   4  -1.781  -5.704   8.702
   30   3HG2  ILE   4          3HG2      ILE   4  -3.074  -5.715   7.503
   31   1HD1  ILE   4          1HD1      ILE   4  -3.740  -7.494   6.310
   32   2HD1  ILE   4          2HD1      ILE   4  -3.061  -7.953   4.748
   33   3HD1  ILE   4          3HD1      ILE   4  -3.180  -6.251   5.193
   34    H    ALA   5           H        ALA   5  -1.694  -2.706   6.319
   35    HA   ALA   5           HA       ALA   5   0.832  -1.388   6.350
   36   1HB   ALA   5          1HB       ALA   5  -1.464  -0.350   6.010
   37   2HB   ALA   5          2HB       ALA   5  -0.327   0.521   7.033
   38   3HB   ALA   5          3HB       ALA   5  -1.627  -0.423   7.762
   39    H    LYS   6           H        LYS   6   2.333  -1.569   7.865
   40    HA   LYS   6           HA       LYS   6   1.684  -2.640  10.529
   41   1HB   LYS   6          1HB       LYS   6   4.367  -1.607   9.618
   42   2HB   LYS   6          2HB       LYS   6   4.029  -2.700  10.952
   43   1HG   LYS   6          1HG       LYS   6   4.528  -4.355   9.568
   44   2HG   LYS   6          2HG       LYS   6   3.004  -4.009   8.745
   45   1HD   LYS   6          1HD       LYS   6   4.366  -3.773   6.960
   46   2HD   LYS   6          2HD       LYS   6   4.556  -2.145   7.606
   47   1HE   LYS   6          1HE       LYS   6   6.385  -4.117   8.766
   48   2HE   LYS   6          2HE       LYS   6   6.604  -3.863   7.035
   49   1HZ   LYS   6          1HZ       LYS   6   6.437  -1.591   8.919
   50   2HZ   LYS   6          2HZ       LYS   6   7.070  -1.616   7.351
   51   3HZ   LYS   6          3HZ       LYS   6   7.904  -2.378   8.609
   52    H    HIS   7           H        HIS   7   1.730   0.310   9.024
   53    HA   HIS   7           HA       HIS   7   1.256   1.668  11.498
   54   1HB   HIS   7          1HB       HIS   7   3.726   2.274   9.884
   55   2HB   HIS   7          2HB       HIS   7   2.986   3.477  10.939
   56    HD1  HIS   7           HD1      HIS   7   2.452   2.207  13.483
   57    HD2  HIS   7           HD2      HIS   7   5.731   1.035  11.214
   58    HE1  HIS   7           HE1      HIS   7   4.009   1.069  15.091
   59    HE2  HIS   7           HE2      HIS   7   5.917   0.244  13.670
   60    H    ASP   8           H        ASP   8   1.052   4.111  10.967
   61    HA   ASP   8           HA       ASP   8  -1.070   4.210   9.037
   62   1HB   ASP   8          1HB       ASP   8   0.096   6.241  10.949
   63   2HB   ASP   8          2HB       ASP   8  -1.220   6.631   9.845
   64    H    PHE   9           H        PHE   9  -1.146   5.466   7.115
   65    HA   PHE   9           HA       PHE   9   1.381   6.730   6.391
   66   1HB   PHE   9          1HB       PHE   9   1.825   4.880   5.149
   67   2HB   PHE   9          2HB       PHE   9   0.137   4.400   5.073
   68    HD1  PHE   9           HD1      PHE   9  -0.622   4.184   2.956
   69    HD2  PHE   9           HD2      PHE   9   2.118   7.317   3.825
   70    HE1  PHE   9           HE1      PHE   9  -0.713   4.903   0.610
   71    HE2  PHE   9           HE2      PHE   9   2.038   8.045   1.478
   72    HZ   PHE   9           HZ       PHE   9   0.623   6.834  -0.136
   73    H    SER  10           H        SER  10   1.133   8.660   5.613
   74    HA   SER  10           HA       SER  10  -1.309   9.345   4.112
   75   1HB   SER  10          1HB       SER  10   0.364  11.275   5.742
   76   2HB   SER  10          2HB       SER  10  -1.196  11.593   4.983
   77    HG   SER  10           HG       SER  10  -1.279  11.163   7.283
   78    H    ALA  11           H        ALA  11  -1.085   9.980   2.148
   79    HA   ALA  11           HA       ALA  11   1.175   9.567   0.676
   80   1HB   ALA  11          1HB       ALA  11  -0.068  11.176  -0.959
   81   2HB   ALA  11          2HB       ALA  11  -1.358  11.044   0.234
   82   3HB   ALA  11          3HB       ALA  11  -0.737   9.595  -0.551
   83    H    THR  12           H        THR  12   2.846  10.627   0.038
   84    HA   THR  12           HA       THR  12   3.202  13.389   0.956
   85    HB   THR  12           HB       THR  12   4.991  11.001   0.875
   86    HG1  THR  12           HG1      THR  12   4.661  11.575   2.870
   87   1HG2  THR  12          1HG2      THR  12   6.080  12.803  -0.652
   88   2HG2  THR  12          2HG2      THR  12   7.026  12.036   0.616
   89   3HG2  THR  12          3HG2      THR  12   6.372  13.654   0.863
   90    H    ALA  13           H        ALA  13   2.166  11.969  -1.620
   91    HA   ALA  13           HA       ALA  13   3.063  14.106  -3.357
   92   1HB   ALA  13          1HB       ALA  13   3.746  12.567  -5.150
   93   2HB   ALA  13          2HB       ALA  13   3.535  11.203  -4.060
   94   3HB   ALA  13          3HB       ALA  13   4.776  12.406  -3.730
   95    H    ASP  14           H        ASP  14   1.869  14.075  -5.381
   96    HA   ASP  14           HA       ASP  14  -0.880  13.944  -4.883
   97   1HB   ASP  14          1HB       ASP  14   0.724  15.140  -6.777
   98   2HB   ASP  14          2HB       ASP  14  -0.196  13.978  -7.726
   99    H    ASP  15           H        ASP  15   1.254  11.691  -6.403
  100    HA   ASP  15           HA       ASP  15  -0.942  10.108  -7.433
  101   1HB   ASP  15          1HB       ASP  15   2.049   9.903  -7.664
  102   2HB   ASP  15          2HB       ASP  15   0.942   8.713  -8.335
  103    H    GLU  16           H        GLU  16  -0.151  10.306  -4.460
  104    HA   GLU  16           HA       GLU  16   0.196   7.434  -3.899
  105   1HB   GLU  16          1HB       GLU  16   0.617   9.619  -1.911
  106   2HB   GLU  16          2HB       GLU  16   1.252   7.989  -1.893
  107   1HG   GLU  16          1HG       GLU  16   2.565   8.727  -3.968
  108   2HG   GLU  16          2HG       GLU  16   2.146  10.355  -3.483
  109    H    LEU  17           H        LEU  17  -0.792   6.736  -1.842
  110    HA   LEU  17           HA       LEU  17  -3.510   7.858  -1.619
  111   1HB   LEU  17          1HB       LEU  17  -2.763   5.324  -2.384
  112   2HB   LEU  17          2HB       LEU  17  -3.177   5.105  -0.705
  113    HG   LEU  17           HG       LEU  17  -4.949   6.045  -2.951
  114   1HD1  LEU  17          1HD1      LEU  17  -5.006   3.725  -1.043
  115   2HD1  LEU  17          2HD1      LEU  17  -4.849   3.687  -2.800
  116   3HD1  LEU  17          3HD1      LEU  17  -6.373   4.178  -2.060
  117   1HD2  LEU  17          1HD2      LEU  17  -5.741   5.995  -0.048
  118   2HD2  LEU  17          2HD2      LEU  17  -6.696   6.549  -1.419
  119   3HD2  LEU  17          3HD2      LEU  17  -5.279   7.465  -0.906
  120    H    SER  18           H        SER  18  -4.272   6.342   0.751
  121    HA   SER  18           HA       SER  18  -2.398   6.875   2.845
  122   1HB   SER  18          1HB       SER  18  -3.736   9.097   2.253
  123   2HB   SER  18          2HB       SER  18  -4.993   8.298   3.195
  124    HG   SER  18           HG       SER  18  -3.286   9.719   4.263
  125    H    PHE  19           H        PHE  19  -3.113   5.960   4.833
  126    HA   PHE  19           HA       PHE  19  -5.699   4.791   5.129
  127   1HB   PHE  19          1HB       PHE  19  -4.069   3.302   3.542
  128   2HB   PHE  19          2HB       PHE  19  -3.722   2.621   5.121
  129    HD1  PHE  19           HD1      PHE  19  -6.662   3.227   6.119
  130    HD2  PHE  19           HD2      PHE  19  -5.029   1.221   2.737
  131    HE1  PHE  19           HE1      PHE  19  -8.667   1.820   5.997
  132    HE2  PHE  19           HE2      PHE  19  -7.048  -0.185   2.600
  133    HZ   PHE  19           HZ       PHE  19  -8.865   0.110   4.235
  134    H    ARG  20           H        ARG  20  -5.698   3.252   7.111
  135    HA   ARG  20           HA       ARG  20  -4.010   4.449   9.186
  136   1HB   ARG  20          1HB       ARG  20  -6.645   3.046   9.607
  137   2HB   ARG  20          2HB       ARG  20  -5.824   4.153  10.699
  138   1HG   ARG  20          1HG       ARG  20  -6.794   5.064   8.012
  139   2HG   ARG  20          2HG       ARG  20  -7.875   4.995   9.403
  140   1HD   ARG  20          1HD       ARG  20  -5.814   6.296  10.512
  141   2HD   ARG  20          2HD       ARG  20  -5.609   6.815   8.841
  142    HE   ARG  20           HE       ARG  20  -7.813   7.465  10.627
  143   1HH1  ARG  20          1HH1      ARG  20  -6.528   7.590   7.382
  144   2HH1  ARG  20          2HH1      ARG  20  -7.574   8.876   6.888
  145   1HH2  ARG  20          1HH2      ARG  20  -9.186   9.153   9.971
  146   2HH2  ARG  20          2HH2      ARG  20  -9.082   9.762   8.353
  147    H    LYS  21           H        LYS  21  -3.331   3.119  10.950
  148    HA   LYS  21           HA       LYS  21  -2.004   0.841  10.285
  149   1HB   LYS  21          1HB       LYS  21  -1.212   1.116  12.329
  150   2HB   LYS  21          2HB       LYS  21  -2.498   2.258  12.668
  151   1HG   LYS  21          1HG       LYS  21  -3.516  -0.399  12.979
  152   2HG   LYS  21          2HG       LYS  21  -2.012  -0.236  13.880
  153   1HD   LYS  21          1HD       LYS  21  -2.984   1.043  15.432
  154   2HD   LYS  21          2HD       LYS  21  -3.706   2.090  14.209
  155   1HE   LYS  21          1HE       LYS  21  -4.848  -0.617  14.829
  156   2HE   LYS  21          2HE       LYS  21  -5.284   0.805  15.777
  157   1HZ   LYS  21          1HZ       LYS  21  -6.453   1.699  14.072
  158   2HZ   LYS  21          2HZ       LYS  21  -6.630   0.073  13.641
  159   3HZ   LYS  21          3HZ       LYS  21  -5.467   1.028  12.872
  160    H    GLY  22           H        GLY  22  -2.316  -1.261  10.108
  161   1HA   GLY  22          1HA       GLY  22  -3.351  -3.323  10.232
  162   2HA   GLY  22          2HA       GLY  22  -4.706  -2.569  11.048
  163    H    GLN  23           H        GLN  23  -4.012  -0.914   8.175
  164    HA   GLN  23           HA       GLN  23  -6.445  -1.842   7.017
  165   1HB   GLN  23          1HB       GLN  23  -5.704  -0.318   5.124
  166   2HB   GLN  23          2HB       GLN  23  -5.995   0.442   6.681
  167   1HG   GLN  23          1HG       GLN  23  -3.992   1.389   6.403
  168   2HG   GLN  23          2HG       GLN  23  -3.331  -0.191   6.798
  169   1HE2  GLN  23          1HE2      GLN  23  -4.221  -1.466   4.423
  170   2HE2  GLN  23          2HE2      GLN  23  -3.207  -0.940   3.164
  171    H    ILE  24           H        ILE  24  -6.691  -2.599   4.766
  172    HA   ILE  24           HA       ILE  24  -4.433  -4.321   3.994
  173    HB   ILE  24           HB       ILE  24  -7.395  -4.675   3.803
  174   1HG1  ILE  24          1HG1      ILE  24  -6.785  -6.925   4.671
  175   2HG1  ILE  24          2HG1      ILE  24  -5.095  -6.445   4.646
  176   1HG2  ILE  24          1HG2      ILE  24  -6.750  -6.761   2.379
  177   2HG2  ILE  24          2HG2      ILE  24  -5.344  -5.790   1.940
  178   3HG2  ILE  24          3HG2      ILE  24  -6.968  -5.197   1.594
  179   1HD1  ILE  24          1HD1      ILE  24  -7.018  -6.075   6.694
  180   2HD1  ILE  24          2HD1      ILE  24  -6.505  -4.491   6.122
  181   3HD1  ILE  24          3HD1      ILE  24  -5.307  -5.649   6.693
  182    H    LEU  25           H        LEU  25  -3.267  -3.354   2.455
  183    HA   LEU  25           HA       LEU  25  -4.541  -1.826   0.298
  184   1HB   LEU  25          1HB       LEU  25  -1.677  -2.252   1.149
  185   2HB   LEU  25          2HB       LEU  25  -2.070  -1.520  -0.390
  186    HG   LEU  25           HG       LEU  25  -3.346  -0.260   1.945
  187   1HD1  LEU  25          1HD1      LEU  25  -1.150  -0.828   2.876
  188   2HD1  LEU  25          2HD1      LEU  25  -1.336   0.910   2.647
  189   3HD1  LEU  25          3HD1      LEU  25  -0.373  -0.028   1.509
  190   1HD2  LEU  25          1HD2      LEU  25  -3.660   0.804  -0.131
  191   2HD2  LEU  25          2HD2      LEU  25  -1.946   0.701  -0.526
  192   3HD2  LEU  25          3HD2      LEU  25  -2.490   1.786   0.749
  193    H    LYS  26           H        LYS  26  -4.625  -2.521  -1.820
  194    HA   LYS  26           HA       LYS  26  -3.890  -5.301  -2.314
  195   1HB   LYS  26          1HB       LYS  26  -5.895  -3.473  -3.269
  196   2HB   LYS  26          2HB       LYS  26  -5.006  -4.138  -4.631
  197   1HG   LYS  26          1HG       LYS  26  -6.499  -5.795  -4.484
  198   2HG   LYS  26          2HG       LYS  26  -5.449  -6.376  -3.193
  199   1HD   LYS  26          1HD       LYS  26  -7.771  -6.377  -2.464
  200   2HD   LYS  26          2HD       LYS  26  -6.830  -5.205  -1.543
  201   1HE   LYS  26          1HE       LYS  26  -9.084  -4.402  -2.258
  202   2HE   LYS  26          2HE       LYS  26  -7.745  -3.382  -2.775
  203   1HZ   LYS  26          1HZ       LYS  26  -8.326  -3.663  -4.880
  204   2HZ   LYS  26          2HZ       LYS  26  -9.721  -4.463  -4.359
  205   3HZ   LYS  26          3HZ       LYS  26  -8.332  -5.349  -4.737
  206    H    ILE  27           H        ILE  27  -2.089  -5.872  -3.395
  207    HA   ILE  27           HA       ILE  27  -0.447  -3.809  -4.611
  208    HB   ILE  27           HB       ILE  27   0.134  -6.759  -4.425
  209   1HG1  ILE  27          1HG1      ILE  27  -0.283  -5.803  -2.190
  210   2HG1  ILE  27          2HG1      ILE  27   1.403  -6.258  -2.405
  211   1HG2  ILE  27          1HG2      ILE  27   1.975  -4.397  -4.762
  212   2HG2  ILE  27          2HG2      ILE  27   1.460  -5.479  -6.056
  213   3HG2  ILE  27          3HG2      ILE  27   2.441  -6.097  -4.728
  214   1HD1  ILE  27          1HD1      ILE  27   2.134  -4.103  -2.339
  215   2HD1  ILE  27          2HD1      ILE  27   0.710  -3.972  -1.308
  216   3HD1  ILE  27          3HD1      ILE  27   0.628  -3.453  -2.991
  217    H    LEU  28           H        LEU  28  -0.131  -3.494  -6.688
  218    HA   LEU  28           HA       LEU  28  -1.142  -5.439  -8.669
  219   1HB   LEU  28          1HB       LEU  28  -1.624  -2.460  -8.714
  220   2HB   LEU  28          2HB       LEU  28  -2.015  -3.568 -10.014
  221    HG   LEU  28           HG       LEU  28  -3.254  -3.529  -7.264
  222   1HD1  LEU  28          1HD1      LEU  28  -5.321  -3.153  -8.756
  223   2HD1  LEU  28          2HD1      LEU  28  -4.152  -2.659  -9.981
  224   3HD1  LEU  28          3HD1      LEU  28  -4.237  -1.801  -8.445
  225   1HD2  LEU  28          1HD2      LEU  28  -3.545  -5.726  -7.636
  226   2HD2  LEU  28          2HD2      LEU  28  -3.189  -5.590  -9.357
  227   3HD2  LEU  28          3HD2      LEU  28  -4.798  -5.190  -8.754
  228    H    ASN  29           H        ASN  29   0.884  -2.628  -7.994
  229    HA   ASN  29           HA       ASN  29   2.942  -3.682  -9.759
  230   1HB   ASN  29          1HB       ASN  29   3.165  -1.434 -10.896
  231   2HB   ASN  29          2HB       ASN  29   1.817  -2.450 -11.387
  232   1HD2  ASN  29          1HD2      ASN  29   2.480   0.544 -11.198
  233   2HD2  ASN  29          2HD2      ASN  29   1.019   1.216 -10.568
  234    H    MET  30           H        MET  30   5.009  -2.942  -9.209
  235    HA   MET  30           HA       MET  30   5.208  -1.600  -6.643
  236   1HB   MET  30          1HB       MET  30   7.221  -2.967  -8.425
  237   2HB   MET  30          2HB       MET  30   7.677  -2.119  -6.954
  238   1HG   MET  30          1HG       MET  30   6.075  -3.623  -5.726
  239   2HG   MET  30          2HG       MET  30   5.941  -4.557  -7.215
  240   1HE   MET  30          1HE       MET  30   8.173  -7.137  -5.603
  241   2HE   MET  30          2HE       MET  30   6.752  -6.775  -6.580
  242   3HE   MET  30          3HE       MET  30   6.782  -6.337  -4.871
  243    H    GLU  31           H        GLU  31   5.125  -0.655  -9.836
  244    HA   GLU  31           HA       GLU  31   5.256   1.404 -10.739
  245   1HB   GLU  31          1HB       GLU  31   5.094   2.222  -8.337
  246   2HB   GLU  31          2HB       GLU  31   6.839   2.413  -8.412
  247   1HG   GLU  31          1HG       GLU  31   6.356   3.764 -10.563
  248   2HG   GLU  31          2HG       GLU  31   4.712   3.857  -9.933
  249    H    ASP  32           H        ASP  32   7.897   2.893  -9.832
  250    HA   ASP  32           HA       ASP  32   9.511   1.389 -11.681
  251   1HB   ASP  32          1HB       ASP  32  10.803   3.488 -12.211
  252   2HB   ASP  32          2HB       ASP  32   9.147   3.390 -12.804
  253    H    ASP  33           H        ASP  33   9.359   1.492  -8.580
  254    HA   ASP  33           HA       ASP  33  12.088   0.705  -8.392
  255   1HB   ASP  33          1HB       ASP  33  12.701   2.417  -6.715
  256   2HB   ASP  33          2HB       ASP  33  12.307   3.115  -8.283
  257    H    SER  34           H        SER  34  12.663   0.052  -6.224
  258    HA   SER  34           HA       SER  34  10.725  -1.682  -5.013
  259   1HB   SER  34          1HB       SER  34  13.576  -0.933  -4.450
  260   2HB   SER  34          2HB       SER  34  12.652  -1.912  -3.310
  261    HG   SER  34           HG       SER  34  12.905  -2.538  -6.063
  262    H    ASN  35           H        ASN  35  11.627   1.687  -4.307
  263    HA   ASN  35           HA       ASN  35  10.752   1.331  -1.572
  264   1HB   ASN  35          1HB       ASN  35  12.488   3.096  -2.747
  265   2HB   ASN  35          2HB       ASN  35  11.096   4.109  -2.382
  266   1HD2  ASN  35          1HD2      ASN  35  13.388   4.652  -1.147
  267   2HD2  ASN  35          2HD2      ASN  35  13.323   4.200   0.519
  268    H    TRP  36           H        TRP  36   9.271   2.592  -4.472
  269    HA   TRP  36           HA       TRP  36   6.931   3.279  -2.805
  270   1HB   TRP  36          1HB       TRP  36   7.712   4.301  -5.551
  271   2HB   TRP  36          2HB       TRP  36   6.176   4.658  -4.761
  272    HD1  TRP  36           HD1      TRP  36   9.498   6.095  -5.195
  273    HE1  TRP  36           HE1      TRP  36   9.981   7.914  -3.439
  274    HE3  TRP  36           HE3      TRP  36   5.683   5.113  -1.912
  275    HZ2  TRP  36           HZ2      TRP  36   8.909   8.806  -0.990
  276    HZ3  TRP  36           HZ3      TRP  36   5.495   6.499   0.110
  277    HH2  TRP  36           HH2      TRP  36   7.073   8.306   0.564
  278    H    TYR  37           H        TYR  37   5.073   2.090  -3.127
  279    HA   TYR  37           HA       TYR  37   5.039   0.239  -5.422
  280   1HB   TYR  37          1HB       TYR  37   4.156  -0.222  -2.569
  281   2HB   TYR  37          2HB       TYR  37   3.707  -1.287  -3.895
  282    HD1  TYR  37           HD1      TYR  37   6.598  -0.790  -5.210
  283    HD2  TYR  37           HD2      TYR  37   5.183  -2.135  -1.431
  284    HE1  TYR  37           HE1      TYR  37   8.675  -2.063  -4.893
  285    HE2  TYR  37           HE2      TYR  37   7.258  -3.411  -1.101
  286    HH   TYR  37           HH       TYR  37  10.006  -2.973  -2.993
  287    H    ARG  38           H        ARG  38   2.770  -0.517  -5.956
  288    HA   ARG  38           HA       ARG  38   0.929   1.744  -5.587
  289   1HB   ARG  38          1HB       ARG  38   1.400  -0.034  -7.949
  290   2HB   ARG  38          2HB       ARG  38  -0.111   0.841  -7.764
  291   1HG   ARG  38          1HG       ARG  38   2.569   2.182  -7.687
  292   2HG   ARG  38          2HG       ARG  38   1.650   1.955  -9.168
  293   1HD   ARG  38          1HD       ARG  38  -0.097   3.331  -8.434
  294   2HD   ARG  38          2HD       ARG  38   0.456   3.273  -6.760
  295    HE   ARG  38           HE       ARG  38   2.498   4.483  -7.729
  296   1HH1  ARG  38          1HH1      ARG  38  -0.796   4.937  -8.805
  297   2HH1  ARG  38          2HH1      ARG  38  -0.514   6.555  -9.347
  298   1HH2  ARG  38          1HH2      ARG  38   2.858   6.582  -8.436
  299   2HH2  ARG  38          2HH2      ARG  38   1.573   7.473  -9.175
  300    H    ALA  39           H        ALA  39  -0.944   1.427  -4.629
  301    HA   ALA  39           HA       ALA  39  -2.089  -1.260  -4.639
  302   1HB   ALA  39          1HB       ALA  39  -1.123   0.179  -2.295
  303   2HB   ALA  39          2HB       ALA  39  -1.448  -1.541  -2.520
  304   3HB   ALA  39          3HB       ALA  39  -2.766  -0.435  -2.134
  305    H    GLU  40           H        GLU  40  -4.289  -1.421  -4.291
  306    HA   GLU  40           HA       GLU  40  -5.813   1.029  -4.868
  307   1HB   GLU  40          1HB       GLU  40  -5.844  -1.425  -6.113
  308   2HB   GLU  40          2HB       GLU  40  -7.194  -1.568  -4.994
  309   1HG   GLU  40          1HG       GLU  40  -7.649   0.885  -6.042
  310   2HG   GLU  40          2HG       GLU  40  -6.902   0.062  -7.410
  311    H    LEU  41           H        LEU  41  -7.483   1.657  -3.505
  312    HA   LEU  41           HA       LEU  41  -8.365  -0.090  -1.374
  313   1HB   LEU  41          1HB       LEU  41  -6.904   0.766   0.093
  314   2HB   LEU  41          2HB       LEU  41  -6.480   2.095  -0.965
  315    HG   LEU  41           HG       LEU  41  -8.605   3.237  -0.194
  316   1HD1  LEU  41          1HD1      LEU  41  -9.339   2.421   2.109
  317   2HD1  LEU  41          2HD1      LEU  41  -8.563   0.896   1.683
  318   3HD1  LEU  41          3HD1      LEU  41  -9.897   1.505   0.712
  319   1HD2  LEU  41          1HD2      LEU  41  -6.160   3.492   0.662
  320   2HD2  LEU  41          2HD2      LEU  41  -6.806   2.754   2.122
  321   3HD2  LEU  41          3HD2      LEU  41  -7.488   4.261   1.529
  322    H    ASP  42           H        ASP  42 -10.446   0.199  -0.964
  323    HA   ASP  42           HA       ASP  42 -12.593   0.875  -1.240
  324   1HB   ASP  42          1HB       ASP  42 -11.303   2.906   0.063
  325   2HB   ASP  42          2HB       ASP  42 -12.020   3.755  -1.303
  326    H    GLY  43           H        GLY  43 -10.992   0.504  -3.664
  327   1HA   GLY  43          1HA       GLY  43 -11.635   0.589  -5.912
  328   2HA   GLY  43          2HA       GLY  43 -12.853   1.774  -5.484
  329    H    LYS  44           H        LYS  44  -9.779   2.565  -4.282
  330    HA   LYS  44           HA       LYS  44  -9.327   4.442  -6.515
  331   1HB   LYS  44          1HB       LYS  44  -9.945   5.046  -3.899
  332   2HB   LYS  44          2HB       LYS  44  -8.190   5.135  -3.895
  333   1HG   LYS  44          1HG       LYS  44  -8.732   6.541  -6.128
  334   2HG   LYS  44          2HG       LYS  44 -10.174   6.890  -5.173
  335   1HD   LYS  44          1HD       LYS  44  -7.648   7.059  -3.687
  336   2HD   LYS  44          2HD       LYS  44  -7.816   8.239  -4.987
  337   1HE   LYS  44          1HE       LYS  44  -9.650   9.248  -4.019
  338   2HE   LYS  44          2HE       LYS  44 -10.084   7.811  -3.095
  339   1HZ   LYS  44          1HZ       LYS  44  -9.088   8.776  -1.379
  340   2HZ   LYS  44          2HZ       LYS  44  -8.441  10.007  -2.341
  341   3HZ   LYS  44          3HZ       LYS  44  -7.606   8.547  -2.164
  342    H    GLU  45           H        GLU  45  -7.237   4.600  -7.300
  343    HA   GLU  45           HA       GLU  45  -5.303   2.727  -6.127
  344   1HB   GLU  45          1HB       GLU  45  -5.926   2.249  -8.474
  345   2HB   GLU  45          2HB       GLU  45  -5.365   3.848  -8.940
  346   1HG   GLU  45          1HG       GLU  45  -3.580   2.536  -9.516
  347   2HG   GLU  45          2HG       GLU  45  -3.118   3.068  -7.899
  348    H    GLY  46           H        GLY  46  -3.266   3.270  -5.728
  349   1HA   GLY  46          1HA       GLY  46  -2.005   5.744  -6.241
  350   2HA   GLY  46          2HA       GLY  46  -2.800   5.811  -4.671
  351    H    LEU  47           H        LEU  47   0.055   5.881  -5.270
  352    HA   LEU  47           HA       LEU  47   1.198   3.373  -4.540
  353   1HB   LEU  47          1HB       LEU  47   3.306   4.424  -4.614
  354   2HB   LEU  47          2HB       LEU  47   2.348   5.110  -5.909
  355    HG   LEU  47           HG       LEU  47   1.844   6.957  -4.096
  356   1HD1  LEU  47          1HD1      LEU  47   4.365   7.177  -3.090
  357   2HD1  LEU  47          2HD1      LEU  47   4.061   5.445  -2.961
  358   3HD1  LEU  47          3HD1      LEU  47   2.958   6.593  -2.204
  359   1HD2  LEU  47          1HD2      LEU  47   2.766   7.967  -5.852
  360   2HD2  LEU  47          2HD2      LEU  47   3.864   6.622  -6.166
  361   3HD2  LEU  47          3HD2      LEU  47   4.285   7.843  -4.964
  362    H    ILE  48           H        ILE  48   2.639   3.084  -2.727
  363    HA   ILE  48           HA       ILE  48   1.831   4.450  -0.235
  364    HB   ILE  48           HB       ILE  48   2.509   1.608   0.096
  365   1HG1  ILE  48          1HG1      ILE  48  -0.138   1.280  -0.546
  366   2HG1  ILE  48          2HG1      ILE  48   0.427   2.340  -1.831
  367   1HG2  ILE  48          1HG2      ILE  48   1.526   3.236   1.814
  368   2HG2  ILE  48          2HG2      ILE  48   0.898   1.600   1.757
  369   3HG2  ILE  48          3HG2      ILE  48  -0.012   2.919   1.028
  370   1HD1  ILE  48          1HD1      ILE  48   1.920  -0.136  -1.074
  371   2HD1  ILE  48          2HD1      ILE  48   1.994   0.787  -2.574
  372   3HD1  ILE  48          3HD1      ILE  48   0.569  -0.177  -2.203
  373    HA   PRO  49           HA       PRO  49   6.203   4.433   0.369
  374   1HB   PRO  49          1HB       PRO  49   6.437   4.941   3.031
  375   2HB   PRO  49          2HB       PRO  49   5.841   6.169   1.909
  376   1HG   PRO  49          1HG       PRO  49   4.324   4.411   3.767
  377   2HG   PRO  49          2HG       PRO  49   4.026   6.099   3.326
  378   1HD   PRO  49          1HD       PRO  49   2.691   3.905   2.273
  379   2HD   PRO  49          2HD       PRO  49   2.767   5.497   1.517
  380    H    SER  50           H        SER  50   7.284   2.613   0.222
  381    HA   SER  50           HA       SER  50   6.509   0.126   1.001
  382   1HB   SER  50          1HB       SER  50   8.557   1.099  -0.470
  383   2HB   SER  50          2HB       SER  50   9.426   0.456   0.917
  384    HG   SER  50           HG       SER  50   9.096  -1.446   0.123
  385    H    ASN  51           H        ASN  51   8.067   2.353   3.004
  386    HA   ASN  51           HA       ASN  51   9.023   0.493   4.973
  387   1HB   ASN  51          1HB       ASN  51   8.577   3.439   5.416
  388   2HB   ASN  51          2HB       ASN  51   9.696   2.375   6.259
  389   1HD2  ASN  51          1HD2      ASN  51   9.017   3.938   3.185
  390   2HD2  ASN  51          2HD2      ASN  51  10.645   3.921   2.607
  391    H    TYR  52           H        TYR  52   5.955   2.046   4.467
  392    HA   TYR  52           HA       TYR  52   5.140   1.550   7.241
  393   1HB   TYR  52          1HB       TYR  52   3.916   3.069   4.969
  394   2HB   TYR  52          2HB       TYR  52   2.943   2.591   6.351
  395    HD1  TYR  52           HD1      TYR  52   3.733   5.426   5.295
  396    HD2  TYR  52           HD2      TYR  52   5.202   2.963   8.439
  397    HE1  TYR  52           HE1      TYR  52   4.484   7.426   6.500
  398    HE2  TYR  52           HE2      TYR  52   5.955   4.964   9.655
  399    HH   TYR  52           HH       TYR  52   5.027   7.688   9.474
  400    H    ILE  53           H        ILE  53   5.383  -0.460   4.713
  401    HA   ILE  53           HA       ILE  53   2.963  -1.907   5.518
  402    HB   ILE  53           HB       ILE  53   2.664  -2.613   3.116
  403   1HG1  ILE  53          1HG1      ILE  53   4.381  -0.188   2.554
  404   2HG1  ILE  53          2HG1      ILE  53   4.944  -1.849   2.405
  405   1HG2  ILE  53          1HG2      ILE  53   1.974   0.050   2.660
  406   2HG2  ILE  53          2HG2      ILE  53   1.915  -0.145   4.412
  407   3HG2  ILE  53          3HG2      ILE  53   0.963  -1.206   3.374
  408   1HD1  ILE  53          1HD1      ILE  53   3.665  -2.255   0.543
  409   2HD1  ILE  53          2HD1      ILE  53   4.109  -0.564   0.317
  410   3HD1  ILE  53          3HD1      ILE  53   2.508  -0.981   0.928
  411    H    GLU  54           H        GLU  54   2.984  -4.193   4.652
  412    HA   GLU  54           HA       GLU  54   5.662  -5.311   4.266
  413   1HB   GLU  54          1HB       GLU  54   5.385  -5.303   6.696
  414   2HB   GLU  54          2HB       GLU  54   3.853  -6.145   6.544
  415   1HG   GLU  54          1HG       GLU  54   5.438  -7.761   7.184
  416   2HG   GLU  54          2HG       GLU  54   5.146  -8.027   5.464
  417    H    MET  55           H        MET  55   5.679  -7.061   3.007
  418    HA   MET  55           HA       MET  55   3.497  -7.714   1.433
  419   1HB   MET  55          1HB       MET  55   6.210  -8.456   1.603
  420   2HB   MET  55          2HB       MET  55   5.289  -9.954   1.592
  421   1HG   MET  55          1HG       MET  55   5.650  -9.581  -0.647
  422   2HG   MET  55          2HG       MET  55   4.046  -8.893  -0.409
  423   1HE   MET  55          1HE       MET  55   3.453  -6.887  -1.600
  424   2HE   MET  55          2HE       MET  55   4.483  -7.617  -2.832
  425   3HE   MET  55          3HE       MET  55   4.609  -5.892  -2.486
  426    H    LYS  56           H        LYS  56   1.754  -8.871   1.732
  427    HA   LYS  56           HA       LYS  56   1.666 -10.736   4.003
  428   1HB   LYS  56          1HB       LYS  56   0.116  -8.794   4.100
  429   2HB   LYS  56          2HB       LYS  56  -0.643  -9.351   2.617
  430   1HG   LYS  56          1HG       LYS  56  -2.067 -10.137   4.254
  431   2HG   LYS  56          2HG       LYS  56  -1.052 -11.542   3.923
  432   1HD   LYS  56          1HD       LYS  56   0.392 -10.828   5.850
  433   2HD   LYS  56          2HD       LYS  56  -0.835  -9.622   6.233
  434   1HE   LYS  56          1HE       LYS  56  -1.721 -12.431   5.874
  435   2HE   LYS  56          2HE       LYS  56  -0.826 -12.036   7.340
  436   1HZ   LYS  56          1HZ       LYS  56  -2.667 -11.185   8.191
  437   2HZ   LYS  56          2HZ       LYS  56  -3.526 -11.573   6.787
  438   3HZ   LYS  56          3HZ       LYS  56  -2.776 -10.063   6.929
  439    H    ASN  57           H        ASN  57  -1.011 -11.067   1.980
  440    HA   ASN  57           HA       ASN  57  -1.697 -12.572   0.459
  441   1HB   ASN  57          1HB       ASN  57  -0.362 -12.776  -1.316
  442   2HB   ASN  57          2HB       ASN  57   0.868 -11.924  -0.388
  443   1HD2  ASN  57          1HD2      ASN  57  -0.029 -14.811  -1.890
  444   2HD2  ASN  57          2HD2      ASN  57   1.331 -15.767  -1.419
  445    H    HIS  58           H        HIS  58   0.899 -13.800   2.652
  446    HA   HIS  58           HA       HIS  58   1.133 -15.705   3.746
  447   1HB   HIS  58          1HB       HIS  58  -1.117 -14.742   4.532
  448   2HB   HIS  58          2HB       HIS  58  -1.841 -16.060   3.618
  449    HD1  HIS  58           HD1      HIS  58  -0.252 -15.278   6.831
  450    HD2  HIS  58           HD2      HIS  58  -1.129 -18.672   4.607
  451    HE1  HIS  58           HE1      HIS  58   0.001 -17.210   8.422
  452    HE2  HIS  58           HE2      HIS  58  -0.435 -19.260   7.024
  453    H    ASP  59           H        ASP  59   2.209 -16.759   2.080
  454    HA   ASP  59           HA       ASP  59   2.659 -18.449   0.627
  455   1HB   ASP  59          1HB       ASP  59   1.977 -20.581   1.315
  456   2HB   ASP  59          2HB       ASP  59   1.898 -19.627   2.794
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -2.665 -10.381  -4.720
    2   2H    MET   1          2H        MET   1  -1.656 -11.602  -4.065
    3   3H    MET   1          3H        MET   1  -1.431 -11.080  -5.679
    4    HA   MET   1           HA       MET   1   0.104 -10.258  -3.830
    5   1HB   MET   1          1HB       MET   1  -1.141  -8.230  -5.693
    6   2HB   MET   1          2HB       MET   1   0.531  -8.319  -5.164
    7   1HG   MET   1          1HG       MET   1   0.428 -10.655  -6.382
    8   2HG   MET   1          2HG       MET   1  -0.888  -9.874  -7.254
    9   1HE   MET   1          1HE       MET   1   0.009  -8.278  -9.710
   10   2HE   MET   1          2HE       MET   1   0.573  -6.854  -8.836
   11   3HE   MET   1          3HE       MET   1  -0.827  -7.752  -8.249
   12    H    GLU   2           H        GLU   2  -0.979 -10.173  -1.703
   13    HA   GLU   2           HA       GLU   2  -2.494  -7.689  -1.312
   14   1HB   GLU   2          1HB       GLU   2  -3.949  -9.554  -0.912
   15   2HB   GLU   2          2HB       GLU   2  -2.753 -10.343   0.104
   16   1HG   GLU   2          1HG       GLU   2  -3.081  -8.794   1.856
   17   2HG   GLU   2          2HG       GLU   2  -4.001  -7.704   0.819
   18    H    ALA   3           H        ALA   3  -2.154  -6.523   0.641
   19    HA   ALA   3           HA       ALA   3   0.094  -7.314   2.340
   20   1HB   ALA   3          1HB       ALA   3   1.156  -5.974   0.623
   21   2HB   ALA   3          2HB       ALA   3   1.132  -5.088   2.149
   22   3HB   ALA   3          3HB       ALA   3  -0.018  -4.682   0.878
   23    H    ILE   4           H        ILE   4   0.372  -5.724   4.145
   24    HA   ILE   4           HA       ILE   4  -2.216  -4.586   4.987
   25    HB   ILE   4           HB       ILE   4  -1.843  -5.400   7.280
   26   1HG1  ILE   4          1HG1      ILE   4  -0.150  -7.553   7.057
   27   2HG1  ILE   4          2HG1      ILE   4   0.669  -6.342   6.074
   28   1HG2  ILE   4          1HG2      ILE   4  -2.781  -7.487   6.925
   29   2HG2  ILE   4          2HG2      ILE   4  -1.793  -7.791   5.500
   30   3HG2  ILE   4          3HG2      ILE   4  -3.127  -6.650   5.412
   31   1HD1  ILE   4          1HD1      ILE   4  -0.095  -5.005   8.396
   32   2HD1  ILE   4          2HD1      ILE   4   1.526  -5.534   7.945
   33   3HD1  ILE   4          3HD1      ILE   4   0.501  -6.578   8.930
   34    H    ALA   5           H        ALA   5  -2.185  -2.733   6.110
   35    HA   ALA   5           HA       ALA   5   0.165  -1.138   6.074
   36   1HB   ALA   5          1HB       ALA   5  -1.182   0.600   6.906
   37   2HB   ALA   5          2HB       ALA   5  -2.360  -0.526   7.558
   38   3HB   ALA   5          3HB       ALA   5  -2.205  -0.332   5.815
   39    H    LYS   6           H        LYS   6   1.710  -0.966   7.498
   40    HA   LYS   6           HA       LYS   6   1.404  -2.168  10.155
   41   1HB   LYS   6          1HB       LYS   6   3.787  -1.173   8.605
   42   2HB   LYS   6          2HB       LYS   6   3.892  -1.555  10.318
   43   1HG   LYS   6          1HG       LYS   6   3.561  -3.815   9.968
   44   2HG   LYS   6          2HG       LYS   6   2.806  -3.564   8.393
   45   1HD   LYS   6          1HD       LYS   6   4.785  -3.974   7.467
   46   2HD   LYS   6          2HD       LYS   6   5.376  -2.480   8.166
   47   1HE   LYS   6          1HE       LYS   6   6.860  -4.250   8.792
   48   2HE   LYS   6          2HE       LYS   6   5.958  -3.746  10.221
   49   1HZ   LYS   6          1HZ       LYS   6   5.465  -5.884  10.474
   50   2HZ   LYS   6          2HZ       LYS   6   6.041  -6.296   8.938
   51   3HZ   LYS   6          3HZ       LYS   6   4.451  -5.751   9.125
   52    H    HIS   7           H        HIS   7   1.246   0.863   8.672
   53    HA   HIS   7           HA       HIS   7   0.789   2.167  11.205
   54   1HB   HIS   7          1HB       HIS   7   3.024   3.138   9.407
   55   2HB   HIS   7          2HB       HIS   7   2.431   3.964  10.845
   56    HD1  HIS   7           HD1      HIS   7   2.877   2.714  13.163
   57    HD2  HIS   7           HD2      HIS   7   4.914   1.202   9.872
   58    HE1  HIS   7           HE1      HIS   7   4.704   1.268  14.109
   59    HE2  HIS   7           HE2      HIS   7   5.849   0.275  12.097
   60    H    ASP   8           H        ASP   8   0.472   4.609  10.746
   61    HA   ASP   8           HA       ASP   8  -1.670   4.729   8.821
   62   1HB   ASP   8          1HB       ASP   8  -0.759   6.363  11.118
   63   2HB   ASP   8          2HB       ASP   8  -1.598   7.236   9.838
   64    H    PHE   9           H        PHE   9  -0.558   4.619   6.784
   65    HA   PHE   9           HA       PHE   9   1.451   6.630   6.288
   66   1HB   PHE   9          1HB       PHE   9   1.970   4.757   5.020
   67   2HB   PHE   9          2HB       PHE   9   0.282   4.398   4.694
   68    HD1  PHE   9           HD1      PHE   9  -0.032   4.328   2.415
   69    HD2  PHE   9           HD2      PHE   9   2.346   7.437   4.059
   70    HE1  PHE   9           HE1      PHE   9   0.154   5.324   0.191
   71    HE2  PHE   9           HE2      PHE   9   2.532   8.465   1.827
   72    HZ   PHE   9           HZ       PHE   9   1.430   7.410  -0.112
   73    H    SER  10           H        SER  10   1.138   8.564   5.500
   74    HA   SER  10           HA       SER  10  -1.364   9.201   4.069
   75   1HB   SER  10          1HB       SER  10   0.243  11.170   5.733
   76   2HB   SER  10          2HB       SER  10  -1.367  11.404   5.055
   77    HG   SER  10           HG       SER  10  -0.572   9.866   7.268
   78    H    ALA  11           H        ALA  11  -1.142   9.857   2.112
   79    HA   ALA  11           HA       ALA  11   1.155   9.616   0.637
   80   1HB   ALA  11          1HB       ALA  11  -1.339  11.204   0.139
   81   2HB   ALA  11          2HB       ALA  11  -0.934   9.590  -0.442
   82   3HB   ALA  11          3HB       ALA  11  -0.071  10.993  -1.066
   83    H    THR  12           H        THR  12   2.756  10.799   0.003
   84    HA   THR  12           HA       THR  12   2.975  13.535   1.032
   85    HB   THR  12           HB       THR  12   4.970  11.299   0.699
   86    HG1  THR  12           HG1      THR  12   4.793  13.232   2.753
   87   1HG2  THR  12          1HG2      THR  12   6.491  12.695  -0.182
   88   2HG2  THR  12          2HG2      THR  12   6.597  13.314   1.466
   89   3HG2  THR  12          3HG2      THR  12   5.601  14.145   0.279
   90    H    ALA  13           H        ALA  13   1.967  12.183  -1.577
   91    HA   ALA  13           HA       ALA  13   2.753  14.412  -3.252
   92   1HB   ALA  13          1HB       ALA  13   4.436  13.180  -4.148
   93   2HB   ALA  13          2HB       ALA  13   3.119  12.459  -5.072
   94   3HB   ALA  13          3HB       ALA  13   3.730  11.651  -3.631
   95    H    ASP  14           H        ASP  14   1.503  14.411  -5.259
   96    HA   ASP  14           HA       ASP  14  -1.226  14.087  -4.723
   97   1HB   ASP  14          1HB       ASP  14  -0.067  14.418  -7.486
   98   2HB   ASP  14          2HB       ASP  14  -1.639  14.951  -6.900
   99    H    ASP  15           H        ASP  15   1.027  12.003  -6.337
  100    HA   ASP  15           HA       ASP  15  -1.095  10.343  -7.415
  101   1HB   ASP  15          1HB       ASP  15   1.772   9.587  -7.640
  102   2HB   ASP  15          2HB       ASP  15   0.468   9.421  -8.808
  103    H    GLU  16           H        GLU  16  -0.274  10.488  -4.441
  104    HA   GLU  16           HA       GLU  16   0.248   7.627  -3.979
  105   1HB   GLU  16          1HB       GLU  16   1.147  10.095  -2.689
  106   2HB   GLU  16          2HB       GLU  16   0.623   8.844  -1.570
  107   1HG   GLU  16          1HG       GLU  16   2.745   8.162  -1.744
  108   2HG   GLU  16          2HG       GLU  16   2.163   7.392  -3.207
  109    H    LEU  17           H        LEU  17  -0.656   6.770  -1.954
  110    HA   LEU  17           HA       LEU  17  -3.429   7.707  -1.599
  111   1HB   LEU  17          1HB       LEU  17  -2.497   5.238  -2.481
  112   2HB   LEU  17          2HB       LEU  17  -2.993   4.952  -0.827
  113    HG   LEU  17           HG       LEU  17  -4.716   6.099  -3.026
  114   1HD1  LEU  17          1HD1      LEU  17  -5.891   4.027  -2.986
  115   2HD1  LEU  17          2HD1      LEU  17  -4.949   3.459  -1.608
  116   3HD1  LEU  17          3HD1      LEU  17  -4.176   3.667  -3.175
  117   1HD2  LEU  17          1HD2      LEU  17  -6.463   5.478  -1.124
  118   2HD2  LEU  17          2HD2      LEU  17  -5.710   7.066  -1.228
  119   3HD2  LEU  17          3HD2      LEU  17  -5.090   5.868  -0.102
  120    H    SER  18           H        SER  18  -3.987   5.962   0.693
  121    HA   SER  18           HA       SER  18  -2.059   6.599   2.719
  122   1HB   SER  18          1HB       SER  18  -3.747   7.776   4.135
  123   2HB   SER  18          2HB       SER  18  -3.276   8.697   2.707
  124    HG   SER  18           HG       SER  18  -5.594   7.066   2.874
  125    H    PHE  19           H        PHE  19  -2.537   5.474   4.716
  126    HA   PHE  19           HA       PHE  19  -4.861   3.812   4.927
  127   1HB   PHE  19          1HB       PHE  19  -3.661   1.643   4.813
  128   2HB   PHE  19          2HB       PHE  19  -3.675   2.499   3.275
  129    HD1  PHE  19           HD1      PHE  19  -1.515   2.356   6.327
  130    HD2  PHE  19           HD2      PHE  19  -1.729   2.415   2.081
  131    HE1  PHE  19           HE1      PHE  19   0.931   2.176   6.211
  132    HE2  PHE  19           HE2      PHE  19   0.718   2.231   1.964
  133    HZ   PHE  19           HZ       PHE  19   2.053   2.122   4.022
  134    H    ARG  20           H        ARG  20  -4.738   2.320   6.848
  135    HA   ARG  20           HA       ARG  20  -2.959   3.443   8.909
  136   1HB   ARG  20          1HB       ARG  20  -4.776   3.293  10.519
  137   2HB   ARG  20          2HB       ARG  20  -5.248   4.296   9.153
  138   1HG   ARG  20          1HG       ARG  20  -6.058   1.715   8.472
  139   2HG   ARG  20          2HG       ARG  20  -6.466   1.896  10.180
  140   1HD   ARG  20          1HD       ARG  20  -8.360   2.722   9.153
  141   2HD   ARG  20          2HD       ARG  20  -7.427   4.193   9.427
  142    HE   ARG  20           HE       ARG  20  -7.085   2.903   6.845
  143   1HH1  ARG  20          1HH1      ARG  20  -8.672   5.410   8.692
  144   2HH1  ARG  20          2HH1      ARG  20  -9.070   6.353   7.296
  145   1HH2  ARG  20          1HH2      ARG  20  -7.614   4.145   5.015
  146   2HH2  ARG  20          2HH2      ARG  20  -8.472   5.636   5.211
  147    H    LYS  21           H        LYS  21  -2.544   2.079  10.751
  148    HA   LYS  21           HA       LYS  21  -1.685  -0.492  10.119
  149   1HB   LYS  21          1HB       LYS  21  -1.532  -0.799  12.623
  150   2HB   LYS  21          2HB       LYS  21  -0.664   0.573  11.950
  151   1HG   LYS  21          1HG       LYS  21  -3.008   1.753  12.547
  152   2HG   LYS  21          2HG       LYS  21  -2.963   0.501  13.787
  153   1HD   LYS  21          1HD       LYS  21  -0.453   1.995  13.379
  154   2HD   LYS  21          2HD       LYS  21  -1.798   2.923  14.045
  155   1HE   LYS  21          1HE       LYS  21  -2.075   1.140  15.769
  156   2HE   LYS  21          2HE       LYS  21  -0.603   0.389  15.156
  157   1HZ   LYS  21          1HZ       LYS  21  -0.571   2.091  17.147
  158   2HZ   LYS  21          2HZ       LYS  21  -0.478   3.216  15.888
  159   3HZ   LYS  21          3HZ       LYS  21   0.699   2.010  16.032
  160    H    GLY  22           H        GLY  22  -2.567  -2.449  10.125
  161   1HA   GLY  22          1HA       GLY  22  -4.023  -4.134  10.920
  162   2HA   GLY  22          2HA       GLY  22  -5.126  -2.886  11.476
  163    H    GLN  23           H        GLN  23  -4.766  -1.574   8.679
  164    HA   GLN  23           HA       GLN  23  -7.035  -2.924   7.552
  165   1HB   GLN  23          1HB       GLN  23  -6.227  -0.349   7.462
  166   2HB   GLN  23          2HB       GLN  23  -5.644  -0.913   5.903
  167   1HG   GLN  23          1HG       GLN  23  -7.772  -0.076   5.475
  168   2HG   GLN  23          2HG       GLN  23  -7.989  -1.824   5.537
  169   1HE2  GLN  23          1HE2      GLN  23  -8.676   1.205   7.042
  170   2HE2  GLN  23          2HE2      GLN  23  -9.814   0.614   8.200
  171    H    ILE  24           H        ILE  24  -7.198  -3.620   5.281
  172    HA   ILE  24           HA       ILE  24  -4.678  -4.859   4.407
  173    HB   ILE  24           HB       ILE  24  -6.230  -6.403   3.072
  174   1HG1  ILE  24          1HG1      ILE  24  -8.267  -4.950   3.562
  175   2HG1  ILE  24          2HG1      ILE  24  -8.466  -6.683   3.777
  176   1HG2  ILE  24          1HG2      ILE  24  -6.686  -7.115   5.859
  177   2HG2  ILE  24          2HG2      ILE  24  -5.036  -6.601   5.527
  178   3HG2  ILE  24          3HG2      ILE  24  -5.743  -7.930   4.613
  179   1HD1  ILE  24          1HD1      ILE  24  -7.821  -4.898   6.094
  180   2HD1  ILE  24          2HD1      ILE  24  -8.522  -6.506   6.101
  181   3HD1  ILE  24          3HD1      ILE  24  -9.470  -5.134   5.530
  182    H    LEU  25           H        LEU  25  -3.758  -3.815   2.827
  183    HA   LEU  25           HA       LEU  25  -5.340  -2.361   0.842
  184   1HB   LEU  25          1HB       LEU  25  -2.341  -2.471   0.990
  185   2HB   LEU  25          2HB       LEU  25  -3.351  -1.224   0.286
  186    HG   LEU  25           HG       LEU  25  -3.559  -1.694   3.220
  187   1HD1  LEU  25          1HD1      LEU  25  -1.201  -1.679   3.034
  188   2HD1  LEU  25          2HD1      LEU  25  -1.668  -0.043   3.501
  189   3HD1  LEU  25          3HD1      LEU  25  -1.232  -0.393   1.828
  190   1HD2  LEU  25          1HD2      LEU  25  -4.825  -0.000   1.637
  191   2HD2  LEU  25          2HD2      LEU  25  -3.369   0.960   1.895
  192   3HD2  LEU  25          3HD2      LEU  25  -4.344   0.449   3.273
  193    H    LYS  26           H        LYS  26  -5.355  -2.891  -1.352
  194    HA   LYS  26           HA       LYS  26  -4.225  -5.499  -2.043
  195   1HB   LYS  26          1HB       LYS  26  -6.614  -4.060  -2.780
  196   2HB   LYS  26          2HB       LYS  26  -5.707  -4.492  -4.222
  197   1HG   LYS  26          1HG       LYS  26  -6.736  -6.455  -4.097
  198   2HG   LYS  26          2HG       LYS  26  -5.647  -6.811  -2.756
  199   1HD   LYS  26          1HD       LYS  26  -7.314  -6.749  -1.266
  200   2HD   LYS  26          2HD       LYS  26  -7.946  -5.238  -1.923
  201   1HE   LYS  26          1HE       LYS  26  -9.700  -6.537  -2.491
  202   2HE   LYS  26          2HE       LYS  26  -8.682  -6.939  -3.873
  203   1HZ   LYS  26          1HZ       LYS  26  -9.752  -8.809  -2.452
  204   2HZ   LYS  26          2HZ       LYS  26  -8.449  -8.526  -1.412
  205   3HZ   LYS  26          3HZ       LYS  26  -8.167  -8.985  -3.016
  206    H    ILE  27           H        ILE  27  -2.391  -5.628  -3.159
  207    HA   ILE  27           HA       ILE  27  -1.274  -3.255  -4.406
  208    HB   ILE  27           HB       ILE  27  -0.198  -6.022  -3.889
  209   1HG1  ILE  27          1HG1      ILE  27   1.496  -4.656  -2.605
  210   2HG1  ILE  27          2HG1      ILE  27   0.483  -3.251  -2.905
  211   1HG2  ILE  27          1HG2      ILE  27   1.845  -5.524  -4.953
  212   2HG2  ILE  27          2HG2      ILE  27   1.395  -3.839  -5.208
  213   3HG2  ILE  27          3HG2      ILE  27   0.594  -5.115  -6.124
  214   1HD1  ILE  27          1HD1      ILE  27  -0.954  -5.524  -1.775
  215   2HD1  ILE  27          2HD1      ILE  27  -0.959  -3.821  -1.308
  216   3HD1  ILE  27          3HD1      ILE  27   0.329  -4.883  -0.762
  217    H    LEU  28           H        LEU  28  -0.845  -2.998  -6.542
  218    HA   LEU  28           HA       LEU  28  -1.995  -4.952  -8.446
  219   1HB   LEU  28          1HB       LEU  28  -1.956  -2.132  -9.288
  220   2HB   LEU  28          2HB       LEU  28  -3.155  -3.376  -9.569
  221    HG   LEU  28           HG       LEU  28  -3.084  -2.463  -6.787
  222   1HD1  LEU  28          1HD1      LEU  28  -2.479  -0.398  -8.190
  223   2HD1  LEU  28          2HD1      LEU  28  -3.827  -0.276  -7.059
  224   3HD1  LEU  28          3HD1      LEU  28  -4.137  -0.493  -8.782
  225   1HD2  LEU  28          1HD2      LEU  28  -5.043  -3.501  -7.059
  226   2HD2  LEU  28          2HD2      LEU  28  -4.978  -3.354  -8.815
  227   3HD2  LEU  28          3HD2      LEU  28  -5.584  -2.016  -7.840
  228    H    ASN  29           H        ASN  29   0.353  -2.418  -7.825
  229    HA   ASN  29           HA       ASN  29   2.245  -3.680  -9.635
  230   1HB   ASN  29          1HB       ASN  29   2.766  -1.317 -10.569
  231   2HB   ASN  29          2HB       ASN  29   1.473  -2.281 -11.264
  232   1HD2  ASN  29          1HD2      ASN  29   1.888   0.580 -11.331
  233   2HD2  ASN  29          2HD2      ASN  29   0.477   1.291 -10.631
  234    H    MET  30           H        MET  30   4.359  -3.408  -8.925
  235    HA   MET  30           HA       MET  30   4.688  -2.020  -6.387
  236   1HB   MET  30          1HB       MET  30   6.000  -3.756  -5.910
  237   2HB   MET  30          2HB       MET  30   5.704  -4.401  -7.512
  238   1HG   MET  30          1HG       MET  30   7.680  -3.327  -8.365
  239   2HG   MET  30          2HG       MET  30   7.938  -2.499  -6.831
  240   1HE   MET  30          1HE       MET  30   7.468  -5.658  -8.647
  241   2HE   MET  30          2HE       MET  30   7.373  -6.788  -7.298
  242   3HE   MET  30          3HE       MET  30   8.877  -6.621  -8.204
  243    H    GLU  31           H        GLU  31   4.908  -1.109  -9.490
  244    HA   GLU  31           HA       GLU  31   5.619   0.792 -10.449
  245   1HB   GLU  31          1HB       GLU  31   5.525   1.840  -8.220
  246   2HB   GLU  31          2HB       GLU  31   7.179   1.333  -7.917
  247   1HG   GLU  31          1HG       GLU  31   8.057   2.948  -9.250
  248   2HG   GLU  31          2HG       GLU  31   6.705   2.912 -10.377
  249    H    ASP  32           H        ASP  32   8.509   1.541  -9.468
  250    HA   ASP  32           HA       ASP  32   9.850  -0.288 -11.223
  251   1HB   ASP  32          1HB       ASP  32  10.571   2.588 -10.749
  252   2HB   ASP  32          2HB       ASP  32  11.623   1.442 -11.574
  253    H    ASP  33           H        ASP  33   9.362  -0.338  -8.247
  254    HA   ASP  33           HA       ASP  33  10.372  -1.544  -6.582
  255   1HB   ASP  33          1HB       ASP  33  11.988  -2.318  -8.564
  256   2HB   ASP  33          2HB       ASP  33  13.116  -1.239  -7.759
  257    H    SER  34           H        SER  34  13.432  -0.173  -6.658
  258    HA   SER  34           HA       SER  34  14.431   1.162  -5.121
  259   1HB   SER  34          1HB       SER  34  12.594   2.875  -6.736
  260   2HB   SER  34          2HB       SER  34  13.450   3.612  -5.382
  261    HG   SER  34           HG       SER  34  14.748   2.090  -7.388
  262    H    ASN  35           H        ASN  35  11.520   3.135  -4.669
  263    HA   ASN  35           HA       ASN  35  11.289   2.090  -1.879
  264   1HB   ASN  35          1HB       ASN  35  12.460   4.471  -2.758
  265   2HB   ASN  35          2HB       ASN  35  10.912   4.907  -2.041
  266   1HD2  ASN  35          1HD2      ASN  35  12.810   5.902  -0.681
  267   2HD2  ASN  35          2HD2      ASN  35  13.215   4.995   0.732
  268    H    TRP  36           H        TRP  36   9.577   3.395  -4.658
  269    HA   TRP  36           HA       TRP  36   7.192   3.665  -2.957
  270   1HB   TRP  36          1HB       TRP  36   7.830   4.830  -5.673
  271   2HB   TRP  36          2HB       TRP  36   6.277   5.011  -4.858
  272    HD1  TRP  36           HD1      TRP  36   9.523   6.704  -5.208
  273    HE1  TRP  36           HE1      TRP  36   9.811   8.525  -3.411
  274    HE3  TRP  36           HE3      TRP  36   5.672   5.412  -2.110
  275    HZ2  TRP  36           HZ2      TRP  36   8.569   9.310  -0.999
  276    HZ3  TRP  36           HZ3      TRP  36   5.289   6.745  -0.078
  277    HH2  TRP  36           HH2      TRP  36   6.708   8.654   0.466
  278    H    TYR  37           H        TYR  37   5.413   2.437  -3.310
  279    HA   TYR  37           HA       TYR  37   5.425   0.605  -5.627
  280   1HB   TYR  37          1HB       TYR  37   4.792   0.142  -2.739
  281   2HB   TYR  37          2HB       TYR  37   3.959  -0.815  -3.951
  282    HD1  TYR  37           HD1      TYR  37   4.928  -2.831  -2.935
  283    HD2  TYR  37           HD2      TYR  37   7.412   0.181  -4.609
  284    HE1  TYR  37           HE1      TYR  37   6.818  -4.401  -2.951
  285    HE2  TYR  37           HE2      TYR  37   9.306  -1.374  -4.636
  286    HH   TYR  37           HH       TYR  37   9.477  -4.084  -2.905
  287    H    ARG  38           H        ARG  38   3.117  -0.211  -6.119
  288    HA   ARG  38           HA       ARG  38   1.230   2.021  -5.722
  289   1HB   ARG  38          1HB       ARG  38   1.097   0.226  -8.097
  290   2HB   ARG  38          2HB       ARG  38   0.437   1.838  -7.909
  291   1HG   ARG  38          1HG       ARG  38   3.336   1.778  -7.690
  292   2HG   ARG  38          2HG       ARG  38   2.753   1.154  -9.234
  293   1HD   ARG  38          1HD       ARG  38   1.765   3.742  -8.079
  294   2HD   ARG  38          2HD       ARG  38   3.216   3.661  -9.070
  295    HE   ARG  38           HE       ARG  38   0.466   3.155  -9.950
  296   1HH1  ARG  38          1HH1      ARG  38   3.857   3.483 -10.735
  297   2HH1  ARG  38          2HH1      ARG  38   3.571   3.638 -12.434
  298   1HH2  ARG  38          1HH2      ARG  38   0.100   3.356 -12.188
  299   2HH2  ARG  38          2HH2      ARG  38   1.444   3.567 -13.259
  300    H    ALA  39           H        ALA  39  -0.646   1.576  -4.780
  301    HA   ALA  39           HA       ALA  39  -1.746  -1.126  -5.019
  302   1HB   ALA  39          1HB       ALA  39  -1.700   0.202  -2.332
  303   2HB   ALA  39          2HB       ALA  39  -0.393  -0.852  -2.872
  304   3HB   ALA  39          3HB       ALA  39  -2.034  -1.483  -2.729
  305    H    GLU  40           H        GLU  40  -3.987  -1.260  -4.139
  306    HA   GLU  40           HA       GLU  40  -5.470   1.229  -4.695
  307   1HB   GLU  40          1HB       GLU  40  -5.660  -1.196  -6.007
  308   2HB   GLU  40          2HB       GLU  40  -6.976  -1.287  -4.845
  309   1HG   GLU  40          1HG       GLU  40  -7.344   1.194  -5.826
  310   2HG   GLU  40          2HG       GLU  40  -6.676   0.385  -7.237
  311    H    LEU  41           H        LEU  41  -7.019   1.889  -3.238
  312    HA   LEU  41           HA       LEU  41  -7.757   0.118  -1.039
  313   1HB   LEU  41          1HB       LEU  41  -5.996   1.214   0.020
  314   2HB   LEU  41          2HB       LEU  41  -6.286   2.710  -0.831
  315    HG   LEU  41           HG       LEU  41  -8.560   2.257   0.799
  316   1HD1  LEU  41          1HD1      LEU  41  -7.578   2.136   3.016
  317   2HD1  LEU  41          2HD1      LEU  41  -5.969   1.968   2.315
  318   3HD1  LEU  41          3HD1      LEU  41  -7.168   0.695   2.085
  319   1HD2  LEU  41          1HD2      LEU  41  -6.764   4.185   1.915
  320   2HD2  LEU  41          2HD2      LEU  41  -8.255   4.449   1.011
  321   3HD2  LEU  41          3HD2      LEU  41  -6.724   4.295   0.160
  322    H    ASP  42           H        ASP  42  -9.860   0.199  -0.723
  323    HA   ASP  42           HA       ASP  42 -12.052   0.722  -0.959
  324   1HB   ASP  42          1HB       ASP  42 -11.146   2.633   0.542
  325   2HB   ASP  42          2HB       ASP  42 -11.356   3.638  -0.889
  326    H    GLY  43           H        GLY  43 -10.690   0.293  -3.381
  327   1HA   GLY  43          1HA       GLY  43 -11.243   0.390  -5.628
  328   2HA   GLY  43          2HA       GLY  43 -12.563   1.469  -5.206
  329    H    LYS  44           H        LYS  44  -9.506   2.440  -4.062
  330    HA   LYS  44           HA       LYS  44  -9.232   4.396  -6.257
  331   1HB   LYS  44          1HB       LYS  44  -8.756   4.645  -3.287
  332   2HB   LYS  44          2HB       LYS  44  -8.124   5.804  -4.441
  333   1HG   LYS  44          1HG       LYS  44 -10.991   5.230  -3.762
  334   2HG   LYS  44          2HG       LYS  44 -10.093   6.729  -3.564
  335   1HD   LYS  44          1HD       LYS  44 -10.420   5.591  -6.306
  336   2HD   LYS  44          2HD       LYS  44 -11.781   6.414  -5.560
  337   1HE   LYS  44          1HE       LYS  44  -9.090   7.510  -6.298
  338   2HE   LYS  44          2HE       LYS  44 -10.686   8.074  -6.787
  339   1HZ   LYS  44          1HZ       LYS  44 -10.628   9.504  -5.120
  340   2HZ   LYS  44          2HZ       LYS  44  -9.129   8.915  -4.609
  341   3HZ   LYS  44          3HZ       LYS  44 -10.553   8.239  -4.006
  342    H    GLU  45           H        GLU  45  -7.155   4.683  -7.092
  343    HA   GLU  45           HA       GLU  45  -5.120   2.847  -6.020
  344   1HB   GLU  45          1HB       GLU  45  -4.019   2.974  -8.231
  345   2HB   GLU  45          2HB       GLU  45  -5.660   2.357  -8.350
  346   1HG   GLU  45          1HG       GLU  45  -6.459   4.346  -9.293
  347   2HG   GLU  45          2HG       GLU  45  -5.024   5.249  -8.811
  348    H    GLY  46           H        GLY  46  -3.055   3.505  -5.714
  349   1HA   GLY  46          1HA       GLY  46  -2.040   6.108  -6.094
  350   2HA   GLY  46          2HA       GLY  46  -2.780   6.003  -4.503
  351    H    LEU  47           H        LEU  47  -0.006   6.377  -5.305
  352    HA   LEU  47           HA       LEU  47   1.521   4.053  -4.731
  353   1HB   LEU  47          1HB       LEU  47   2.060   6.969  -4.975
  354   2HB   LEU  47          2HB       LEU  47   3.272   5.956  -4.212
  355    HG   LEU  47           HG       LEU  47   2.207   5.109  -6.855
  356   1HD1  LEU  47          1HD1      LEU  47   3.863   6.526  -7.999
  357   2HD1  LEU  47          2HD1      LEU  47   4.188   7.348  -6.472
  358   3HD1  LEU  47          3HD1      LEU  47   2.594   7.469  -7.217
  359   1HD2  LEU  47          1HD2      LEU  47   3.973   3.753  -6.805
  360   2HD2  LEU  47          2HD2      LEU  47   4.204   4.254  -5.128
  361   3HD2  LEU  47          3HD2      LEU  47   5.061   5.084  -6.419
  362    H    ILE  48           H        ILE  48   2.764   3.607  -2.903
  363    HA   ILE  48           HA       ILE  48   2.078   5.015  -0.440
  364    HB   ILE  48           HB       ILE  48   1.407   3.231   0.790
  365   1HG1  ILE  48          1HG1      ILE  48   3.407   1.854   0.536
  366   2HG1  ILE  48          2HG1      ILE  48   1.953   0.875   0.388
  367   1HG2  ILE  48          1HG2      ILE  48  -0.418   3.134  -0.507
  368   2HG2  ILE  48          2HG2      ILE  48   0.209   1.536  -0.907
  369   3HG2  ILE  48          3HG2      ILE  48   0.505   2.893  -1.990
  370   1HD1  ILE  48          1HD1      ILE  48   3.728   0.299  -1.212
  371   2HD1  ILE  48          2HD1      ILE  48   3.531   1.887  -1.948
  372   3HD1  ILE  48          3HD1      ILE  48   2.198   0.734  -1.969
  373    HA   PRO  49           HA       PRO  49   6.388   4.777   0.146
  374   1HB   PRO  49          1HB       PRO  49   6.670   5.106   2.852
  375   2HB   PRO  49          2HB       PRO  49   6.183   6.421   1.779
  376   1HG   PRO  49          1HG       PRO  49   4.549   4.783   3.628
  377   2HG   PRO  49          2HG       PRO  49   4.319   6.459   3.111
  378   1HD   PRO  49          1HD       PRO  49   2.928   4.228   2.142
  379   2HD   PRO  49          2HD       PRO  49   2.996   5.819   1.398
  380    H    SER  50           H        SER  50   7.562   2.993  -0.093
  381    HA   SER  50           HA       SER  50   6.835   0.439   0.721
  382   1HB   SER  50          1HB       SER  50   8.452   1.074  -1.117
  383   2HB   SER  50          2HB       SER  50   9.683   1.208   0.140
  384    HG   SER  50           HG       SER  50   8.203  -1.120   0.207
  385    H    ASN  51           H        ASN  51   7.319   2.397   2.946
  386    HA   ASN  51           HA       ASN  51   8.969   0.653   4.645
  387   1HB   ASN  51          1HB       ASN  51   9.732   3.139   4.143
  388   2HB   ASN  51          2HB       ASN  51   8.597   3.501   5.439
  389   1HD2  ASN  51          1HD2      ASN  51   8.874   2.086   7.415
  390   2HD2  ASN  51          2HD2      ASN  51  10.498   1.799   7.932
  391    H    TYR  52           H        TYR  52   5.955   2.258   4.247
  392    HA   TYR  52           HA       TYR  52   5.136   1.717   6.999
  393   1HB   TYR  52          1HB       TYR  52   4.207   3.470   4.820
  394   2HB   TYR  52          2HB       TYR  52   2.950   2.810   5.856
  395    HD1  TYR  52           HD1      TYR  52   6.373   3.684   6.980
  396    HD2  TYR  52           HD2      TYR  52   2.277   4.819   6.911
  397    HE1  TYR  52           HE1      TYR  52   6.831   5.431   8.653
  398    HE2  TYR  52           HE2      TYR  52   2.720   6.570   8.574
  399    HH   TYR  52           HH       TYR  52   5.729   6.780  10.259
  400    H    ILE  53           H        ILE  53   5.306  -0.230   4.400
  401    HA   ILE  53           HA       ILE  53   2.720  -1.493   5.042
  402    HB   ILE  53           HB       ILE  53   2.610  -2.324   2.727
  403   1HG1  ILE  53          1HG1      ILE  53   4.795  -0.365   2.046
  404   2HG1  ILE  53          2HG1      ILE  53   5.149  -2.054   2.399
  405   1HG2  ILE  53          1HG2      ILE  53   1.299  -0.569   2.402
  406   2HG2  ILE  53          2HG2      ILE  53   2.706   0.404   1.979
  407   3HG2  ILE  53          3HG2      ILE  53   2.175   0.309   3.650
  408   1HD1  ILE  53          1HD1      ILE  53   3.641  -2.714   0.564
  409   2HD1  ILE  53          2HD1      ILE  53   5.003  -1.733   0.024
  410   3HD1  ILE  53          3HD1      ILE  53   3.404  -1.008   0.185
  411    H    GLU  54           H        GLU  54   2.611  -3.803   4.495
  412    HA   GLU  54           HA       GLU  54   5.188  -5.205   4.693
  413   1HB   GLU  54          1HB       GLU  54   4.342  -5.048   6.955
  414   2HB   GLU  54          2HB       GLU  54   2.781  -5.659   6.468
  415   1HG   GLU  54          1HG       GLU  54   3.930  -7.400   7.569
  416   2HG   GLU  54          2HG       GLU  54   3.923  -7.789   5.850
  417    H    MET  55           H        MET  55   5.276  -6.445   2.947
  418    HA   MET  55           HA       MET  55   3.165  -7.175   1.308
  419   1HB   MET  55          1HB       MET  55   5.867  -7.399   1.157
  420   2HB   MET  55          2HB       MET  55   5.414  -9.083   1.386
  421   1HG   MET  55          1HG       MET  55   5.413  -8.895  -0.901
  422   2HG   MET  55          2HG       MET  55   3.715  -8.620  -0.515
  423   1HE   MET  55          1HE       MET  55   2.898  -7.729  -2.225
  424   2HE   MET  55          2HE       MET  55   3.674  -6.645  -3.378
  425   3HE   MET  55          3HE       MET  55   2.651  -5.989  -2.102
  426    H    LYS  56           H        LYS  56   1.569  -8.575   1.495
  427    HA   LYS  56           HA       LYS  56   1.805 -10.698   3.511
  428   1HB   LYS  56          1HB       LYS  56   0.093  -8.959   3.929
  429   2HB   LYS  56          2HB       LYS  56  -0.703  -9.398   2.430
  430   1HG   LYS  56          1HG       LYS  56  -1.345 -11.502   3.271
  431   2HG   LYS  56          2HG       LYS  56  -0.252 -11.362   4.648
  432   1HD   LYS  56          1HD       LYS  56  -1.636  -9.327   5.311
  433   2HD   LYS  56          2HD       LYS  56  -2.826  -9.895   4.142
  434   1HE   LYS  56          1HE       LYS  56  -3.334 -10.645   6.422
  435   2HE   LYS  56          2HE       LYS  56  -3.017 -11.998   5.336
  436   1HZ   LYS  56          1HZ       LYS  56  -1.101 -10.844   7.292
  437   2HZ   LYS  56          2HZ       LYS  56  -0.760 -12.114   6.230
  438   3HZ   LYS  56          3HZ       LYS  56  -1.914 -12.320   7.446
  439    H    ASN  57           H        ASN  57  -0.897 -10.870   1.400
  440    HA   ASN  57           HA       ASN  57  -1.476 -12.220  -0.334
  441   1HB   ASN  57          1HB       ASN  57   0.850 -11.566  -1.242
  442   2HB   ASN  57          2HB       ASN  57   1.368 -13.145  -0.658
  443   1HD2  ASN  57          1HD2      ASN  57   1.733 -14.109  -2.593
  444   2HD2  ASN  57          2HD2      ASN  57   0.504 -14.420  -3.766
  445    H    HIS  58           H        HIS  58   0.959 -13.660   1.877
  446    HA   HIS  58           HA       HIS  58   1.058 -15.591   2.935
  447   1HB   HIS  58          1HB       HIS  58  -0.924 -14.599   3.960
  448   2HB   HIS  58          2HB       HIS  58  -1.947 -15.413   2.785
  449    HD1  HIS  58           HD1      HIS  58   0.941 -17.090   4.537
  450    HD2  HIS  58           HD2      HIS  58  -3.214 -17.065   4.594
  451    HE1  HIS  58           HE1      HIS  58   0.276 -19.010   6.022
  452    HE2  HIS  58           HE2      HIS  58  -2.243 -18.985   6.031
  453    H    ASP  59           H        ASP  59  -1.858 -17.038   1.854
  454    HA   ASP  59           HA       ASP  59  -2.299 -18.880   0.603
  455   1HB   ASP  59          1HB       ASP  59  -0.893 -17.181  -1.072
  456   2HB   ASP  59          2HB       ASP  59  -0.025 -18.704  -1.224