*HEADER    HORMONE                                 14-MAR-20   6M6F              
*TITLE     SOLUTION STRUCTURE OF DISULFIDE BOND MUTAION OF THE CORE DOMAIN OF    
*TITLE    2 FIBROBLAST GROWTH FACTOR 21 (FGF21)                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FIBROBLAST GROWTH FACTOR 21;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: FGF-21;                                                     
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: FGF21;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI K-12;                            
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 83333;                                      
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: K-12                                       
*KEYWDS    DISULFIDE BOND MUTAION, BETA-TREFOIL CONFORMATION, BETA-KLOTHO        
*KEYWDS   2 BINDING, METABOLIC REGULATOR, HORMONE                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.ZHU,H.ZHAO,J.WANG                                                   
*REVDAT   1   20-JAN-21 6M6F    0                                                
# Restraints file 1: FGF21coress_NOE.tbl
set echo=false end
set wrnlev=0 end
!CaH(i)-NH(i+1)
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 2.5 0.7 0.4
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 2.5 0.7 0.4
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.5 0.7 0.4
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.5 0.7 0.4
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 2.5 0.7 0.4
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 2.5 0.7 0.4 !OL
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 2.5 0.7 0.4
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.5 0.7 0.4
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.5 0.7 0.6 !
assign (resid   27 and  name HA1  )(resid   28 and  name HN   ) 3.0 1.2 0.5
assign (resid   27 and  name HA2  )(resid   28 and  name HN   ) 3.0 1.2 0.5
assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 3.0 1.2 0.5 !!
assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 2.5 0.7 0.6 !
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.5 0.7 0.4
assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.5 0.7 0.4
assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 2.5 0.7 0.4
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 2.5 0.7 0.4
assign (resid   36 and  name HA   )(resid   37 and  name HN   ) 2.5 0.7 0.6
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   38 and  name HA   )(resid   39 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   39 and  name HA1  )(resid   40 and  name HN   ) 3.0 1.2 0.5
assign (resid   39 and  name HA2  )(resid   40 and  name HN   ) 3.0 1.2 0.5
assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 2.5 0.7 0.4
assign (resid   41 and  name HA   )(resid   42 and  name HN   ) 2.5 0.7 0.4
assign (resid   42 and  name HA1  )(resid   43 and  name HN   ) 2.5 0.7 0.6
assign (resid   42 and  name HA2  )(resid   43 and  name HN   ) 2.5 0.7 0.6
assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 2.5 0.7 0.4
assign (resid   45 and  name HA   )(resid   46 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HA   )(resid   47 and  name HN   ) 2.5 0.7 0.6
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 2.5 0.7 0.6
assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   51 and  name HN   ) 3.0 1.2 0.5 !!overlap
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 3.0 1.2 0.8
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 2.5 0.7 0.4
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 2.5 0.7 0.4
assign (resid   54 and  name HA   )(resid   55 and  name HN   ) 2.5 0.7 0.4
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 2.5 0.7 0.4
assign (resid   56 and  name HA   )(resid   57 and  name HN   ) 2.5 0.7 0.4
assign (resid   57 and  name HA   )(resid   58 and  name HN   ) 2.5 0.7 0.4
assign (resid   58 and  name HA   )(resid   59 and  name HN   ) 3.0 1.2 0.5
assign (resid   60 and  name HA   )(resid   61 and  name HN   ) 2.5 0.7 0.4
assign (resid   61 and  name HA#  )(resid   62 and  name HN   ) 3.0 1.2 0.5
assign (resid   62 and  name HA   )(resid   63 and  name HN   ) 2.5 0.7 0.4
assign (resid   63 and  name HA   )(resid   64 and  name HN   ) 2.5 0.7 0.4
assign (resid   64 and  name HA   )(resid   65 and  name HN   ) 2.5 0.7 0.4
assign (resid   65 and  name HA   )(resid   66 and  name HN   ) 2.5 0.7 0.4
assign (resid   66 and  name HA   )(resid   67 and  name HN   ) 2.5 0.7 0.4
assign (resid   67 and  name HA1  )(resid   68 and  name HN   ) 3.0 1.2 0.5
assign (resid   67 and  name HA2  )(resid   68 and  name HN   ) 3.0 1.2 0.5
assign (resid   68 and  name HA   )(resid   69 and  name HN   ) 4.0 2.2 0.8
assign (resid   69 and  name HA   )(resid   70 and  name HN   ) 3.0 1.2 0.5 !OL
assign (resid   70 and  name HA   )(resid   71 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   71 and  name HA   )(resid   72 and  name HN   ) 2.5 0.7 0.6
assign (resid   72 and  name HA   )(resid   73 and  name HN   ) 2.5 0.7 0.4
assign (resid   73 and  name HA   )(resid   74 and  name HN   ) 2.5 0.7 0.4
assign (resid   74 and  name HA   )(resid   75 and  name HN   ) 2.5 0.7 0.4
assign (resid   75 and  name HA   )(resid   76 and  name HN   ) 2.5 0.7 0.4
assign (resid   76 and  name HA   )(resid   77 and  name HN   ) 2.5 0.7 0.4
assign (resid   78 and  name HA   )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   79 and  name HA   )(resid   80 and  name HN   ) 3.0 1.2 0.5 !overlap with 80HA1
assign (resid   80 and  name HA1  )(resid   81 and  name HN   ) 3.0 1.2 0.5 !overlap with 81HA
assign (resid   80 and  name HA2  )(resid   81 and  name HN   ) 3.0 1.2 0.5 
assign (resid   81 and  name HA   )(resid   82 and  name HN   ) 2.5 0.7 0.4
assign (resid   82 and  name HA   )(resid   83 and  name HN   ) 2.5 0.7 0.4
assign (resid   83 and  name HA   )(resid   84 and  name HN   ) 2.5 0.7 0.4
assign (resid   84 and  name HA1  )(resid   85 and  name HN   ) 2.5 0.7 0.6
assign (resid   84 and  name HA2  )(resid   85 and  name HN   ) 2.5 0.7 0.6
assign (resid   85 and  name HA   )(resid   86 and  name HN   ) 2.5 0.7 0.4
assign (resid   86 and  name HA   )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   88 and  name HA   )(resid   89 and  name HN   ) 2.5 0.7 0.4
assign (resid   90 and  name HA   )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HA   )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   92 and  name HA   )(resid   93 and  name HN   ) 3.0 1.2 0.5
assign (resid   93 and  name HA   )(resid   94 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   94 and  name HA   )(resid   95 and  name HN   ) 2.5 0.7 0.4
assign (resid   95 and  name HA   )(resid   96 and  name HN   ) 2.5 0.7 0.4
assign (resid   96 and  name HA   )(resid   97 and  name HN   ) 2.5 0.7 0.4
assign (resid   97 and  name HA   )(resid   98 and  name HN   ) 2.5 0.7 0.4
assign (resid   98 and  name HA   )(resid   99 and  name HN   ) 2.5 0.7 0.4 !overlap
assign (resid   99 and  name HA   )(resid  100 and  name HN   ) 2.5 0.7 0.6 !overlap
assign (resid  100 and  name HA   )(resid  101 and  name HN   ) 3.0 1.2 0.5 !weak
assign (resid  101 and  name HA   )(resid  102 and  name HN   ) 3.0 1.2 0.5
assign (resid  102 and  name HA   )(resid  103 and  name HN   ) 3.0 1.2 0.5
assign (resid  103 and  name HA1  )(resid  104 and  name HN   ) 3.0 1.2 0.8
assign (resid  103 and  name HA2  )(resid  104 and  name HN   ) 3.0 1.2 0.8
assign (resid  104 and  name HA   )(resid  105 and  name HN   ) 3.0 1.2 0.5 !!!
assign (resid  105 and  name HA   )(resid  106 and  name HN   ) 2.5 0.7 0.4
assign (resid  106 and  name HA   )(resid  107 and  name HN   ) 2.5 0.7 0.4
assign (resid  107 and  name HA   )(resid  108 and  name HN   ) 2.5 0.7 0.4
assign (resid  108 and  name HA   )(resid  109 and  name HN   ) 2.5 0.7 0.6 !no 109hn
assign (resid  109 and  name HA   )(resid  110 and  name HN   ) 2.5 0.7 0.4
assign (resid  110 and  name HA   )(resid  111 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid  111 and  name HA   )(resid  112 and  name HN   ) 3.0 1.2 0.5 !
assign (resid  112 and  name HA   )(resid  113 and  name HN   ) 4.0 2.2 0.8
assign (resid  113 and  name HA1  )(resid  114 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid  113 and  name HA2  )(resid  114 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid  115 and  name HA   )(resid  116 and  name HN   ) 2.5 0.7 0.4
assign (resid  116 and  name HA   )(resid  117 and  name HN   ) 2.5 0.7 0.4
assign (resid  117 and  name HA   )(resid  118 and  name HN   ) 2.5 0.7 0.6
assign (resid  119 and  name HA   )(resid  120 and  name HN   ) 3.0 1.2 0.8
assign (resid  124 and  name HA   )(resid  125 and  name HN   ) 3.0 1.2 0.5 !
assign (resid  126 and  name HA   )(resid  127 and  name HN   ) 3.0 1.2 0.5
assign (resid  128 and  name HA   )(resid  129 and  name HN   ) 3.0 1.2 0.5
assign (resid  133 and  name HA   )(resid  134 and  name HN   ) 3.0 1.2 0.5
assign (resid  134 and  name HA   )(resid  135 and  name HN   ) 2.5 0.7 0.6
assign (resid  135 and  name HA   )(resid  136 and  name HN   ) 2.5 0.7 0.4
assign (resid  136 and  name HA   )(resid  137 and  name HN   ) 2.5 0.7 0.4 !!fgf21
assign (resid  138 and  name HA   )(resid  139 and  name HN   ) 2.5 0.7 0.4
assign (resid  140 and  name HA   )(resid  141 and  name HN   ) 2.5 0.7 0.4

!Ha-NH
assign (resid   15 and  name HA   )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HA   )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HA   )(resid   17 and  name HN   ) 3.0 1.2 0.8
assign (resid   18 and  name HA   )(resid   18 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   19 and  name HA   )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HA   )(resid   20 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   21 and  name HA   )(resid   21 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   22 and  name HA   )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HA   )(resid   23 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   24 and  name HA1  )(resid   24 and  name HN   ) 2.5 0.7 0.6 !
assign (resid   24 and  name HA2  )(resid   24 and  name HN   ) 2.5 0.7 0.6 !
assign (resid   28 and  name HA   )(resid   28 and  name HN   ) 2.5 0.7 0.6
assign (resid   29 and  name HA   )(resid   29 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   30 and  name HA   )(resid   30 and  name HN   ) 3.0 1.2 0.5 !!
assign (resid   32 and  name HA   )(resid   32 and  name HN   ) 4.0 2.2 0.8 !
assign (resid   33 and  name HA   )(resid   33 and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HA   )(resid   34 and  name HN   ) 3.0 1.2 0.5
assign (resid   35 and  name HA   )(resid   35 and  name HN   ) 3.0 1.2 0.5
assign (resid   36 and  name HA   )(resid   36 and  name HN   ) 3.0 1.2 0.5 !OL
assign (resid   37 and  name HA   )(resid   37 and  name HN   ) 2.5 0.7 0.6
assign (resid   38 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   39 and  name HA1  )(resid   39 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   39 and  name HA2  )(resid   39 and  name HN   ) 2.5 0.7 0.4
assign (resid   40 and  name HA   )(resid   40 and  name HN   ) 2.5 0.7 0.6
assign (resid   41 and  name HA   )(resid   41 and  name HN   ) 3.0 1.2 0.5
assign (resid   42 and  name HA1  )(resid   42 and  name HN   ) 3.0 1.2 0.5
assign (resid   42 and  name HA2  )(resid   42 and  name HN   ) 3.0 1.2 0.5
assign (resid   43 and  name HA   )(resid   43 and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HA   )(resid   44 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HA   )(resid   46 and  name HN   ) 2.5 0.7 0.6
assign (resid   47 and  name HA   )(resid   47 and  name HN   ) 3.0 1.2 0.5
assign (resid   48 and  name HA   )(resid   48 and  name HN   ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   50 and  name HN   ) 2.5 0.7 0.6
assign (resid   51 and  name HA   )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HA   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HA   )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   56 and  name HA   )(resid   56 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   57 and  name HA   )(resid   57 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   58 and  name HA   )(resid   58 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   59 and  name HA   )(resid   59 and  name HN   ) 2.5 0.7 0.6
assign (resid   61 and  name HA#  )(resid   61 and  name HN   ) 3.0 1.2 0.5
assign (resid   62 and  name HA   )(resid   62 and  name HN   ) 2.5 0.7 0.6
assign (resid   63 and  name HA   )(resid   63 and  name HN   ) 3.0 1.2 0.5
assign (resid   64 and  name HA   )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   65 and  name HA   )(resid   65 and  name HN   ) 3.0 1.2 0.5
assign (resid   66 and  name HA   )(resid   66 and  name HN   ) 3.0 1.2 0.5 !OL
assign (resid   67 and  name HA1  )(resid   67 and  name HN   ) 2.5 0.7 0.6
assign (resid   67 and  name HA2  )(resid   67 and  name HN   ) 2.5 0.7 0.6
assign (resid   68 and  name HA   )(resid   68 and  name HN   ) 3.0 1.2 0.5
assign (resid   69 and  name HA   )(resid   69 and  name HN   ) 2.5 0.7 0.6
assign (resid   70 and  name HA   )(resid   70 and  name HN   ) 3.0 1.2 0.5 !OL
assign (resid   71 and  name HA   )(resid   71 and  name HN   ) 2.5 0.7 0.4
assign (resid   72 and  name HA   )(resid   72 and  name HN   ) 2.5 0.7 0.6
assign (resid   73 and  name HA   )(resid   73 and  name HN   ) 3.0 1.2 0.5
assign (resid   74 and  name HA   )(resid   74 and  name HN   ) 3.0 1.2 0.5
assign (resid   75 and  name HA   )(resid   75 and  name HN   ) 3.0 1.2 0.5
assign (resid   76 and  name HA   )(resid   76 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HA   )(resid   77 and  name HN   ) 3.0 1.2 0.5
assign (resid   79 and  name HA   )(resid   79 and  name HN   ) 2.5 0.7 0.6
assign (resid   80 and  name HA1  )(resid   80 and  name HN   ) 2.5 0.7 0.6
assign (resid   80 and  name HA2  )(resid   80 and  name HN   ) 2.5 0.7 0.6
assign (resid   81 and  name HA   )(resid   81 and  name HN   ) 2.5 0.7 0.6
assign (resid   82 and  name HA   )(resid   82 and  name HN   ) 3.0 1.2 0.5
assign (resid   83 and  name HA   )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   84 and  name HA1  )(resid   84 and  name HN   ) 2.5 0.7 0.6
assign (resid   84 and  name HA2  )(resid   84 and  name HN   ) 2.5 0.7 0.6
assign (resid   85 and  name HA   )(resid   85 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   86 and  name HA   )(resid   86 and  name HN   ) 3.0 1.2 0.5
assign (resid   87 and  name HA   )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   89 and  name HA   )(resid   89 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HA   )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   92 and  name HA   )(resid   92 and  name HN   ) 3.0 1.2 0.5
assign (resid   93 and  name HA   )(resid   93 and  name HN   ) 3.0 1.2 0.5
assign (resid   94 and  name HA   )(resid   94 and  name HN   ) 2.5 0.7 0.6
assign (resid   95 and  name HA   )(resid   95 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   96 and  name HA   )(resid   96 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   97 and  name HA   )(resid   97 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   98 and  name HA   )(resid   98 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   99 and  name HA   )(resid   99 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid  100 and  name HA   )(resid  100 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid  101 and  name HA   )(resid  101 and  name HN   ) 3.0 1.2 0.5 !weak
assign (resid  102 and  name HA   )(resid  102 and  name HN   ) 2.5 0.7 0.6
assign (resid  103 and  name HA1  )(resid  103 and  name HN   ) 2.5 0.7 0.6
assign (resid  103 and  name HA2  )(resid  103 and  name HN   ) 2.5 0.7 0.6
assign (resid  104 and  name HA   )(resid  104 and  name HN   ) 3.0 1.2 0.5
assign (resid  105 and  name HA   )(resid  105 and  name HN   ) 3.0 1.2 0.5
assign (resid  106 and  name HA   )(resid  106 and  name HN   ) 3.0 1.2 0.8
assign (resid  107 and  name HA   )(resid  107 and  name HN   ) 3.0 1.2 0.8
assign (resid  108 and  name HA   )(resid  108 and  name HN   ) 3.0 1.2 0.8
assign (resid  110 and  name HA   )(resid  110 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid  111 and  name HA   )(resid  111 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid  112 and  name HA   )(resid  112 and  name HN   ) 3.0 1.2 0.5
assign (resid  113 and  name HA1  )(resid  113 and  name HN   ) 2.5 0.7 0.4
assign (resid  113 and  name HA2  )(resid  113 and  name HN   ) 2.5 0.7 0.4
assign (resid  114 and  name HA   )(resid  114 and  name HN   ) 3.0 1.2 0.5
assign (resid  116 and  name HA   )(resid  116 and  name HN   ) 3.0 1.2 0.5
assign (resid  117 and  name HA   )(resid  117 and  name HN   ) 3.0 1.2 0.5
assign (resid  118 and  name HA   )(resid  118 and  name HN   ) 3.0 1.2 0.5
assign (resid  120 and  name HA#  )(resid  120 and  name HN   ) 2.5 0.7 0.6
assign (resid  127 and  name HA   )(resid  127 and  name HN   ) 3.0 1.2 0.5
assign (resid  129 and  name HA   )(resid  129 and  name HN   ) 3.0 1.2 0.5
assign (resid  134 and  name HA   )(resid  134 and  name HN   ) 3.0 1.2 0.5
assign (resid  135 and  name HA   )(resid  135 and  name HN   ) 3.0 1.2 0.8
assign (resid  136 and  name HA   )(resid  136 and  name HN   ) 3.0 1.2 0.5
assign (resid  137 and  name HA   )(resid  137 and  name HN   ) 3.0 1.2 0.5 !fgf21
assign (resid  139 and  name HA   )(resid  139 and  name HN   ) 3.0 1.2 0.5
assign (resid  141 and  name HA#  )(resid  141 and  name HN   ) 2.5 0.7 0.6
!CaH(i)-NH(i+2)
assign (resid   36 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.8
assign (resid   37 and  name HA   )(resid   39 and  name HN   ) 3.0 1.2 0.8
assign (resid   48 and  name HA   )(resid   50 and  name HN   ) 4.0 2.2 0.8
assign (resid   49 and  name HA   )(resid   51 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   50 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   60 and  name HA   )(resid   62 and  name HN   ) 3.0 1.2 0.8
assign (resid   68 and  name HA   )(resid   70 and  name HN   ) 4.0 2.2 1.0 !OL
assign (resid   77 and  name HA   )(resid   79 and  name HN   ) 4.0 2.2 0.8
assign (resid   78 and  name HA   )(resid   80 and  name HN   ) 3.0 1.2 0.8
assign (resid   89 and  name HA   )(resid   91 and  name HN   ) 3.0 1.2 0.8
assign (resid   90 and  name HA   )(resid   92 and  name HN   ) 4.0 2.2 1.0 !90ha ol with 88hz
assign (resid   91 and  name HA   )(resid   93 and  name HN   ) 4.0 2.2 1.0
assign (resid   92 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 0.8



!CbH-NH
assign (resid   15 and  name HB   )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HB#  )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HB#  )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HB#  )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HB1  )(resid   19 and  name HN   ) 3.0 1.2 0.8
assign (resid   19 and  name HB2  )(resid   19 and  name HN   ) 3.0 1.2 0.8
assign (resid   20 and  name HB1  )(resid   20 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   20 and  name HB2  )(resid   20 and  name HN   ) 3.0 1.2 0.8
assign (resid   21 and  name HB1  )(resid   21 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   21 and  name HB2  )(resid   21 and  name HN   ) 3.0 1.2 0.8
assign (resid   22 and  name HB   )(resid   22 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   23 and  name HB#  )(resid   23 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   28 and  name HB#  )(resid   28 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   29 and  name HB1  )(resid   29 and  name HN   ) 3.0 1.2 0.8
assign (resid   29 and  name HB2  )(resid   29 and  name HN   ) 3.0 1.2 0.8
assign (resid   32 and  name HB#  )(resid   32 and  name HN   ) 3.0 1.2 0.5
assign (resid   33 and  name HB1  )(resid   33 and  name HN   ) 3.0 1.2 0.5
assign (resid   33 and  name HB2  )(resid   33 and  name HN   ) 3.0 1.2 0.5
assign (resid   34 and  name HB#  )(resid   34 and  name HN   ) 3.0 1.2 0.5 !to1
assign (resid   35 and  name HB   )(resid   35 and  name HN   ) 3.0 1.2 0.5
assign (resid   36 and  name HB#  )(resid   36 and  name HN   ) 2.5 0.7 0.6
assign (resid   37 and  name HB#  )(resid   37 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   38 and  name HB1  )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   38 and  name HB2  )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   40 and  name HB   )(resid   40 and  name HN   ) 3.0 1.2 0.5
assign (resid   41 and  name HB   )(resid   41 and  name HN   ) 3.0 1.2 0.5
assign (resid   43 and  name HB#  )(resid   43 and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HB#  )(resid   44 and  name HN   ) 2.5 0.7 0.4
assign (resid   46 and  name HB#  )(resid   46 and  name HN   ) 2.5 0.7 0.6
assign (resid   47 and  name HB#  )(resid   47 and  name HN   ) 2.5 0.7 0.6
assign (resid   48 and  name HB#  )(resid   48 and  name HN   ) 2.5 0.7 0.6
assign (resid   50 and  name HB#  )(resid   50 and  name HN   ) 2.5 0.7 0.6
assign (resid   51 and  name HB1  )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HB2  )(resid   51 and  name HN   ) 3.0 1.2 0.8
assign (resid   52 and  name HB1  )(resid   52 and  name HN   ) 2.5 0.7 0.6
assign (resid   52 and  name HB2  )(resid   52 and  name HN   ) 2.5 0.7 0.6
assign (resid   53 and  name HB#  )(resid   53 and  name HN   ) 2.5 0.7 0.6
assign (resid   54 and  name HB#  )(resid   54 and  name HN   ) 2.5 0.7 0.4
assign (resid   55 and  name HB#  )(resid   55 and  name HN   ) 2.5 0.7 0.6
assign (resid   56 and  name HB#  )(resid   56 and  name HN   ) 2.5 0.7 0.6
assign (resid   57 and  name HB#  )(resid   57 and  name HN   ) 2.5 0.7 0.4
assign (resid   58 and  name HB#  )(resid   58 and  name HN   ) 2.5 0.7 0.6
assign (resid   59 and  name HB1  )(resid   59 and  name HN   ) 3.0 1.2 0.8
assign (resid   59 and  name HB2  )(resid   59 and  name HN   ) 3.0 1.2 0.8
assign (resid   62 and  name HB   )(resid   62 and  name HN   ) 2.5 0.7 0.6
assign (resid   63 and  name HB   )(resid   63 and  name HN   ) 3.0 1.2 0.8
assign (resid   64 and  name HB#  )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   65 and  name HB   )(resid   65 and  name HN   ) 3.0 1.2 0.8
assign (resid   66 and  name HB#  )(resid   66 and  name HN   ) 3.0 1.2 0.5
assign (resid   68 and  name HB   )(resid   68 and  name HN   ) 3.0 1.2 0.5
assign (resid   69 and  name HB#  )(resid   69 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   70 and  name HB   )(resid   70 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   71 and  name HB#  )(resid   71 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   72 and  name HB1  )(resid   72 and  name HN   ) 3.0 1.2 0.5
assign (resid   72 and  name HB2  )(resid   72 and  name HN   ) 3.0 1.2 0.8
assign (resid   73 and  name HB1  )(resid   73 and  name HN   ) 3.0 1.2 0.8
assign (resid   73 and  name HB2  )(resid   73 and  name HN   ) 3.0 1.2 0.5
assign (resid   74 and  name HB1  )(resid   74 and  name HN   ) 3.0 1.2 0.8
assign (resid   74 and  name HB2  )(resid   74 and  name HN   ) 3.0 1.2 0.8
assign (resid   75 and  name HB1  )(resid   75 and  name HN   ) 3.0 1.2 0.8
assign (resid   75 and  name HB2  )(resid   75 and  name HN   ) 3.0 1.2 0.8
assign (resid   76 and  name HB#  )(resid   76 and  name HN   ) 3.0 1.2 0.5 !OVERLAP
assign (resid   77 and  name HB#  )(resid   77 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   79 and  name HB1  )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   79 and  name HB2  )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   81 and  name HB#  )(resid   81 and  name HN   ) 2.5 0.7 0.6
assign (resid   82 and  name HB#  )(resid   82 and  name HN   ) 2.5 0.7 0.6
assign (resid   83 and  name HB#  )(resid   83 and  name HN   ) 3.0 1.2 0.5
assign (resid   85 and  name HB1  )(resid   85 and  name HN   ) 3.0 1.2 0.8
assign (resid   85 and  name HB2  )(resid   85 and  name HN   ) 3.0 1.2 0.8
assign (resid   86 and  name HB#  )(resid   86 and  name HN   ) 3.0 1.2 0.5
assign (resid   87 and  name HB#  )(resid   87 and  name HN   ) 2.5 0.7 0.6
assign (resid   89 and  name HB1  )(resid   89 and  name HN   ) 2.5 0.7 0.6
assign (resid   89 and  name HB2  )(resid   89 and  name HN   ) 2.5 0.7 0.6
assign (resid   91 and  name HB#  )(resid   91 and  name HN   ) 2.5 0.7 0.6
assign (resid   92 and  name HB#  )(resid   92 and  name HN   ) 2.5 0.7 0.4
assign (resid   93 and  name HB#  )(resid   93 and  name HN   ) 3.0 1.2 0.5
assign (resid   94 and  name HB#  )(resid   94 and  name HN   ) 2.5 0.7 0.6
assign (resid   95 and  name HB1  )(resid   95 and  name HN   ) 3.0 1.2 0.8
assign (resid   95 and  name HB2  )(resid   95 and  name HN   ) 3.0 1.2 0.5
assign (resid   96 and  name HB#  )(resid   96 and  name HN   ) 2.5 0.7 0.6
assign (resid   97 and  name HB#  )(resid   97 and  name HN   ) 3.0 1.2 0.5
assign (resid   98 and  name HB#  )(resid   98 and  name HN   ) 2.5 0.7 0.6
assign (resid   99 and  name HB#  )(resid   99 and  name HN   ) 3.0 1.2 0.5 !ol 99 98 1 2
assign (resid  100 and  name HB#  )(resid  100 and  name HN   ) 3.0 1.2 0.8
assign (resid  101 and  name HB#  )(resid  101 and  name HN   ) 3.0 1.2 0.5 !
assign (resid  102 and  name HB1  )(resid  102 and  name HN   ) 3.0 1.2 0.5 !gai
assign (resid  102 and  name HB2  )(resid  102 and  name HN   ) 3.0 1.2 0.5 !gai
assign (resid  104 and  name HB#  )(resid  104 and  name HN   ) 2.5 0.7 0.4
assign (resid  105 and  name HB#  )(resid  105 and  name HN   ) 3.0 1.2 0.5
assign (resid  106 and  name HB   )(resid  106 and  name HN   ) 3.0 1.2 0.5 !
assign (resid  107 and  name HB#  )(resid  107 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid  108 and  name HB#  )(resid  108 and  name HN   ) 3.0 1.2 0.5
assign (resid  110 and  name HB1  )(resid  110 and  name HN   ) 3.0 1.2 0.5
assign (resid  110 and  name HB2  )(resid  110 and  name HN   ) 3.0 1.2 0.5
assign (resid  111 and  name HB#  )(resid  111 and  name HN   ) 2.5 0.7 0.4
assign (resid  112 and  name HB1  )(resid  112 and  name HN   ) 3.0 1.2 0.5
assign (resid  112 and  name HB2  )(resid  112 and  name HN   ) 3.0 1.2 0.5
assign (resid  114 and  name HB#  )(resid  114 and  name HN   ) 3.0 1.2 0.8
assign (resid  116 and  name HB#  )(resid  116 and  name HN   ) 3.0 1.2 0.5
assign (resid  117 and  name HB#  )(resid  117 and  name HN   ) 3.0 1.2 0.5
assign (resid  118 and  name HB#  )(resid  118 and  name HN   ) 2.5 0.7 0.6
assign (resid  127 and  name HB#  )(resid  127 and  name HN   ) 3.0 1.2 0.5
assign (resid  129 and  name HB#  )(resid  129 and  name HN   ) 2.5 0.7 0.6
assign (resid  134 and  name HB#  )(resid  134 and  name HN   ) 2.5 0.7 0.6
assign (resid  135 and  name HB#  )(resid  135 and  name HN   ) 3.0 1.2 0.5
assign (resid  136 and  name HB#  )(resid  136 and  name HN   ) 2.5 0.7 0.6
assign (resid  137 and  name HB#  )(resid  137 and  name HN   ) 3.0 1.2 0.5 !fgf21
assign (resid  139 and  name HB#  )(resid  139 and  name HN   ) 3.0 1.2 0.5
!CbH(i)-NH(i+1)
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 4.0 2.2 0.8
assign (resid   15 and  name HB   )(resid   16 and  name HN   ) 3.0 1.2 0.8
assign (resid   16 and  name HB#  )(resid   17 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HB#  )(resid   19 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 4.0 2.2 0.8 !weak
assign (resid   20 and  name HB#  )(resid   21 and  name HN   ) 4.0 2.2 0.8 !overlap
assign (resid   21 and  name HB#  )(resid   22 and  name HN   ) 3.0 1.2 0.8
assign (resid   22 and  name HB   )(resid   23 and  name HN   ) 4.0 2.2 0.8
assign (resid   28 and  name HB#  )(resid   29 and  name HN   ) 3.0 1.2 0.5 !28HBgaida
assign (resid   29 and  name HB#  )(resid   30 and  name HN   ) 3.0 1.2 0.5
assign (resid   31 and  name HB#  )(resid   32 and  name HN   ) 4.0 2.2 0.8
assign (resid   32 and  name HB#  )(resid   33 and  name HN   ) 3.0 1.2 0.8
assign (resid   33 and  name HB1  )(resid   34 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   33 and  name HB2  )(resid   34 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   34 and  name HB#  )(resid   35 and  name HN   ) 3.0 1.2 0.8
assign (resid   35 and  name HB   )(resid   36 and  name HN   ) 4.0 2.2 0.8
assign (resid   36 and  name HB#  )(resid   37 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   37 and  name HB#  )(resid   38 and  name HN   ) 3.0 1.2 0.8 !OL
assign (resid   38 and  name HB#  )(resid   39 and  name HN   ) 4.0 2.2 0.8
assign (resid   40 and  name HB   )(resid   41 and  name HN   ) 2.5 0.7 0.6
assign (resid   43 and  name HB#  )(resid   44 and  name HN   ) 3.0 1.2 0.8 !
assign (resid   45 and  name HB#  )(resid   46 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HB#  )(resid   47 and  name HN   ) 3.0 1.2 0.5 !gaida
assign (resid   49 and  name HB#  )(resid   50 and  name HN   ) 2.5 0.7 0.6
assign (resid   50 and  name HB#  )(resid   51 and  name HN   ) 4.0 2.2 0.8
assign (resid   51 and  name HB#  )(resid   52 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   52 and  name HB#  )(resid   53 and  name HN   ) 3.0 1.2 0.8
assign (resid   53 and  name HB#  )(resid   54 and  name HN   ) 2.5 0.7 0.6
assign (resid   54 and  name HB#  )(resid   55 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   55 and  name HB#  )(resid   56 and  name HN   ) 3.0 1.2 0.8
assign (resid   56 and  name HB#  )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HB#  )(resid   58 and  name HN   ) 3.0 1.2 0.8
assign (resid   58 and  name HB#  )(resid   59 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   60 and  name HB#  )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   62 and  name HB   )(resid   63 and  name HN   ) 4.0 2.2 0.8
assign (resid   63 and  name HB   )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   64 and  name HB#  )(resid   65 and  name HN   ) 3.0 1.2 0.8
assign (resid   65 and  name HB   )(resid   66 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   66 and  name HB#  )(resid   67 and  name HN   ) 3.0 1.2 0.8 !!
assign (resid   68 and  name HB   )(resid   69 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   69 and  name HB#  )(resid   70 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   70 and  name HB   )(resid   71 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   71 and  name HB#  )(resid   72 and  name HN   ) 4.0 2.2 0.8
assign (resid   72 and  name HB#  )(resid   73 and  name HN   ) 3.0 1.2 0.8
assign (resid   73 and  name HB1  )(resid   74 and  name HN   ) 4.0 2.2 0.8
assign (resid   73 and  name HB2  )(resid   74 and  name HN   ) 4.0 2.2 0.8
assign (resid   74 and  name HB#  )(resid   75 and  name HN   ) 4.0 2.2 0.8
assign (resid   75 and  name HB#  )(resid   76 and  name HN   ) 3.0 1.2 0.5 !ol
assign (resid   76 and  name HB#  )(resid   77 and  name HN   ) 4.0 2.2 0.8
assign (resid   78 and  name HB#  )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   79 and  name HB#  )(resid   80 and  name HN   ) 3.0 1.2 0.8
assign (resid   81 and  name HB#  )(resid   82 and  name HN   ) 3.0 1.2 0.5
assign (resid   82 and  name HB#  )(resid   83 and  name HN   ) 3.0 1.2 0.8
assign (resid   83 and  name HB#  )(resid   84 and  name HN   ) 2.5 0.7 0.4
assign (resid   85 and  name HB1  )(resid   86 and  name HN   ) 4.0 2.2 0.8
assign (resid   85 and  name HB2  )(resid   86 and  name HN   ) 4.0 2.2 0.8
assign (resid   86 and  name HB#  )(resid   87 and  name HN   ) 4.0 2.2 0.8
assign (resid   88 and  name HB#  )(resid   89 and  name HN   ) 3.0 1.2 0.8
assign (resid   90 and  name HB#  )(resid   91 and  name HN   ) 3.0 1.2 0.8
assign (resid   91 and  name HB#  )(resid   92 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   92 and  name HB#  )(resid   93 and  name HN   ) 2.5 0.7 0.6
assign (resid   93 and  name HB#  )(resid   94 and  name HN   ) 3.0 1.2 0.8
assign (resid   94 and  name HB1  )(resid   95 and  name HN   ) 4.0 2.2 0.8
assign (resid   94 and  name HB2  )(resid   95 and  name HN   ) 4.0 2.2 0.8
assign (resid   95 and  name HB1  )(resid   96 and  name HN   ) 3.0 1.2 0.8
assign (resid   95 and  name HB2  )(resid   96 and  name HN   ) 3.0 1.2 0.8
assign (resid   96 and  name HB#  )(resid   97 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   97 and  name HB#  )(resid   98 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   98 and  name HB#  )(resid   99 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   99 and  name HB#  )(resid  100 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid  100 and  name HB#  )(resid  101 and  name HN   ) 4.0 2.2 0.8 !weak
assign (resid  101 and  name HB#  )(resid  102 and  name HN   ) 3.0 1.2 0.5
assign (resid  102 and  name HB#  )(resid  103 and  name HN   ) 4.0 2.2 0.8
assign (resid  104 and  name HB#  )(resid  105 and  name HN   ) 3.0 1.2 0.5
assign (resid  105 and  name HB#  )(resid  106 and  name HN   ) 3.0 1.2 0.8
assign (resid  106 and  name HB   )(resid  107 and  name HN   ) 3.0 1.2 0.5
assign (resid  107 and  name HB#  )(resid  108 and  name HN   ) 3.0 1.2 0.5
assign (resid  109 and  name HB#  )(resid  110 and  name HN   ) 4.0 2.2 0.8
assign (resid  110 and  name HB#  )(resid  111 and  name HN   ) 3.0 1.2 0.5
assign (resid  111 and  name HB#  )(resid  112 and  name HN   ) 2.5 0.7 0.6
assign (resid  112 and  name HB#  )(resid  113 and  name HN   ) 4.0 2.2 0.8
assign (resid  115 and  name HB#  )(resid  116 and  name HN   ) 3.0 1.2 0.8
assign (resid  116 and  name HB#  )(resid  117 and  name HN   ) 4.0 2.2 0.8
assign (resid  117 and  name HB#  )(resid  118 and  name HN   ) 3.0 1.2 0.8
assign (resid  119 and  name HB#  )(resid  120 and  name HN   ) 4.0 2.2 0.8
assign (resid  126 and  name HB#  )(resid  127 and  name HN   ) 3.0 1.2 0.8
assign (resid  128 and  name HB#  )(resid  129 and  name HN   ) 3.0 1.2 0.8
assign (resid  133 and  name HB1  )(resid  134 and  name HN   ) 3.0 1.2 0.8
assign (resid  133 and  name HB2  )(resid  134 and  name HN   ) 3.0 1.2 0.5
assign (resid  134 and  name HB#  )(resid  135 and  name HN   ) 4.0 2.2 0.8
assign (resid  135 and  name HB#  )(resid  136 and  name HN   ) 3.0 1.2 0.8
assign (resid  136 and  name HB#  )(resid  137 and  name HN   ) 3.0 1.2 0.8 !fgf21
assign (resid  138 and  name HB#  )(resid  139 and  name HN   ) 3.0 1.2 0.8
assign (resid  140 and  name HB#  )(resid  141 and  name HN   ) 3.0 1.2 0.5
!other local CH-NH
assign (resid   15 and  name HG1# )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HG2# )(resid   15 and  name HN   ) 4.0 2.2 0.8
assign (resid   16 and  name HG#  )(resid   16 and  name HN   ) 4.0 2.2 1.0 !overlap
assign (resid   16 and  name HD#  )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HG#  )(resid   17 and  name HN   ) 4.0 2.2 1.0 !overlap
assign (resid   18 and  name HG#  )(resid   18 and  name HN   ) 4.0 2.2 1.0 !overlap
assign (resid   18 and  name HD#  )(resid   18 and  name HN   ) 4.0 2.2 1.0 !overlap to21
assign (resid   20 and  name HG   )(resid   20 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   20 and  name HD2# )(resid   20 and  name HN   ) 4.0 2.2 1.5
assign (resid   22 and  name HG2# )(resid   22 and  name HN   ) 3.0 1.2 0.8
assign (resid   28 and  name HG   )(resid   28 and  name HN   ) 4.0 2.2 0.8 !olgaida
assign (resid   28 and  name HD#  )(resid   28 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   33 and  name HG   )(resid   33 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   33 and  name HD1# )(resid   33 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   33 and  name HD2# )(resid   33 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   34 and  name HG#  )(resid   34 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   35 and  name HG1# )(resid   35 and  name HN   ) 3.0 1.2 0.5 !OL
assign (resid   35 and  name HG2# )(resid   35 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   35 and  name HD1# )(resid   35 and  name HN   ) 4.0 2.2 0.8 !OL
assign (resid   36 and  name HG#  )(resid   36 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   36 and  name HD#  )(resid   36 and  name HN   ) 3.0 1.2 0.5
assign (resid   37 and  name HG#  )(resid   37 and  name HN   ) 3.0 1.2 0.8
assign (resid   41 and  name HG2# )(resid   41 and  name HN   ) 3.0 1.2 0.5
assign (resid   47 and  name HG#  )(resid   47 and  name HN   ) 3.0 1.2 0.8
assign (resid   50 and  name HG#  )(resid   50 and  name HN   ) 3.0 1.2 0.8 !ol
assign (resid   51 and  name HG   )(resid   51 and  name HN   ) 2.5 0.7 0.6
assign (resid   52 and  name HG   )(resid   52 and  name HN   ) 4.0 2.2 0.8 !gaida
assign (resid   52 and  name HD1# )(resid   52 and  name HN   ) 4.0 2.2 0.8
assign (resid   52 and  name HD2# )(resid   52 and  name HN   ) 4.0 2.2 0.8
assign (resid   53 and  name HG   )(resid   53 and  name HN   ) 2.5 0.7 0.4
assign (resid   53 and  name HD1# )(resid   53 and  name HN   ) 3.0 1.2 0.8
assign (resid   53 and  name HD2# )(resid   53 and  name HN   ) 4.0 2.2 0.8
assign (resid   54 and  name HG#  )(resid   54 and  name HN   ) 3.0 1.2 0.8
assign (resid   55 and  name HG   )(resid   55 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   55 and  name HD#  )(resid   55 and  name HN   ) 3.0 1.2 0.8
assign (resid   56 and  name HG#  )(resid   56 and  name HN   ) 3.0 1.2 0.8
assign (resid   58 and  name HG   )(resid   58 and  name HN   ) 4.0 2.2 0.8 !!ol
assign (resid   58 and  name HD1# )(resid   58 and  name HN   ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   58 and  name HN   ) 3.0 1.2 0.8
assign (resid   59 and  name HG#  )(resid   59 and  name HN   ) 4.0 2.2 0.8
assign (resid   59 and  name HD#  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HE#  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   62 and  name HG1# )(resid   62 and  name HN   ) 3.0 1.2 0.8
assign (resid   62 and  name HG2# )(resid   62 and  name HN   ) 2.5 0.7 0.6
assign (resid   63 and  name HG1# )(resid   63 and  name HN   ) 2.5 0.7 0.6
assign (resid   63 and  name HG2# )(resid   63 and  name HN   ) 3.0 1.2 0.5
assign (resid   63 and  name HD1# )(resid   63 and  name HN   ) 4.0 2.2 0.8
assign (resid   64 and  name HG#  )(resid   64 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   65 and  name HG1# )(resid   65 and  name HN   ) 3.0 1.2 0.5
assign (resid   65 and  name HG2# )(resid   65 and  name HN   ) 3.0 1.2 0.8
assign (resid   65 and  name HD1# )(resid   65 and  name HN   ) 4.0 2.2 0.8
assign (resid   66 and  name HG   )(resid   66 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   66 and  name HD1# )(resid   66 and  name HN   ) 4.0 2.2 0.8 !53hd1#overlap
assign (resid   66 and  name HD2# )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   68 and  name HG1# )(resid   68 and  name HN   ) 2.5 0.7 0.6
assign (resid   68 and  name HG2# )(resid   68 and  name HN   ) 2.5 0.7 0.6
assign (resid   69 and  name HG#  )(resid   69 and  name HN   ) 4.0 2.2 0.8 !
assign (resid   70 and  name HG1  )(resid   70 and  name HN   ) 2.5 0.7 0.6
assign (resid   70 and  name HG2# )(resid   70 and  name HN   ) 3.0 1.2 0.8
assign (resid   72 and  name HD#  )(resid   72 and  name HN   ) 4.0 2.2 0.8
assign (resid   74 and  name HG   )(resid   74 and  name HN   ) 4.0 2.2 0.8
assign (resid   74 and  name HD1# )(resid   74 and  name HN   ) 4.0 2.2 0.8 !fan 21
assign (resid   74 and  name HD2# )(resid   74 and  name HN   ) 4.0 2.2 1.0 !fan21
assign (resid   76 and  name HG#  )(resid   76 and  name HN   ) 4.0 2.2 0.8
assign (resid   77 and  name HG#  )(resid   77 and  name HN   ) 4.0 2.2 0.8 
assign (resid   77 and  name HD#  )(resid   77 and  name HN   ) 4.0 2.2 0.8
assign (resid   82 and  name HG   )(resid   82 and  name HN   ) 4.0 2.2 0.8
assign (resid   82 and  name HD1# )(resid   82 and  name HN   ) 3.0 1.2 0.8 !!gaicheck
assign (resid   82 and  name HD2# )(resid   82 and  name HN   ) 4.0 2.2 0.8 !!gaida
assign (resid   85 and  name HG   )(resid   85 and  name HN   ) 4.0 2.2 0.8 !!!
assign (resid   86 and  name HG   )(resid   86 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   86 and  name HD1# )(resid   86 and  name HN   ) 4.0 2.2 0.8
assign (resid   86 and  name HD2# )(resid   86 and  name HN   ) 3.0 1.2 0.8
assign (resid   91 and  name HG#  )(resid   91 and  name HN   ) 4.0 2.2 0.8 !!ol
assign (resid   94 and  name HG   )(resid   94 and  name HN   ) 2.5 0.7 0.6
assign (resid   96 and  name HD#  )(resid   96 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   98 and  name HG   )(resid   98 and  name HN   ) 3.0 1.2 0.5
assign (resid   98 and  name HD1# )(resid   98 and  name HN   ) 3.0 1.2 0.8
assign (resid   98 and  name HD2# )(resid   98 and  name HN   ) 4.0 2.2 0.8
assign (resid   99 and  name HG   )(resid   99 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   99 and  name HD1# )(resid   99 and  name HN   ) 4.0 2.2 0.8
assign (resid   99 and  name HD2# )(resid   99 and  name HN   ) 4.0 2.2 0.8
assign (resid  100 and  name HG   )(resid  100 and  name HN   ) 3.0 1.2 0.8
assign (resid  100 and  name HD1# )(resid  100 and  name HN   ) 4.0 2.2 0.8
assign (resid  100 and  name HD2# )(resid  100 and  name HN   ) 4.0 2.2 0.8
assign (resid  101 and  name HG#  )(resid  101 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid  106 and  name HG1# )(resid  106 and  name HN   ) 4.0 2.2 0.8
assign (resid  106 and  name HG2# )(resid  106 and  name HN   ) 3.0 1.2 0.5
assign (resid  110 and  name HG#  )(resid  110 and  name HN   ) 3.0 1.2 0.5
assign (resid  114 and  name HG   )(resid  114 and  name HN   ) 3.0 1.2 0.8
assign (resid  114 and  name HD1# )(resid  114 and  name HN   ) 3.0 1.2 0.8
assign (resid  118 and  name HD1# )(resid  118 and  name HN   ) 3.0 1.2 0.8
assign (resid  118 and  name HD2# )(resid  118 and  name HN   ) 4.0 2.2 0.8
assign (resid  137 and  name HD1# )(resid  137 and  name HN   ) 4.0 2.2 0.8 !fgf21
assign (resid  139 and  name HD1# )(resid  139 and  name HN   ) 3.0 1.2 0.8
assign (resid  139 and  name HD2# )(resid  139 and  name HN   ) 3.0 1.2 0.8

!other local CH(i)-NH(i+1)
assign (resid   14 and  name HG#  )(resid   15 and  name HN   ) 4.0 2.2 0.8
assign (resid   15 and  name HG1# )(resid   16 and  name HN   ) 4.0 2.2 0.8
assign (resid   15 and  name HG2# )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HG#  )(resid   17 and  name HN   ) 4.0 2.2 0.8 !overlap
assign (resid   17 and  name HG#  )(resid   18 and  name HN   ) 4.0 2.2 0.8 !overlap
assign (resid   18 and  name HD#  )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HD1# )(resid   21 and  name HN   ) 3.0 1.2 0.8 !overlap
assign (resid   20 and  name HD2# )(resid   21 and  name HN   ) 4.0 2.2 2.0 !weak
assign (resid   22 and  name HG2# )(resid   23 and  name HN   ) 3.0 1.2 0.8
assign (resid   28 and  name HD2# )(resid   29 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HG   )(resid   34 and  name HN   ) 4.0 2.2 0.8 !!ol
assign (resid   33 and  name HD1# )(resid   34 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   33 and  name HD2# )(resid   34 and  name HN   ) 3.0 1.2 0.8 !!
assign (resid   34 and  name HG#  )(resid   35 and  name HN   ) 4.0 2.2 0.8 !!OL
assign (resid   35 and  name HG1# )(resid   36 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   35 and  name HG2# )(resid   36 and  name HN   ) 3.0 1.2 0.8 !
assign (resid   36 and  name HD#  )(resid   37 and  name HN   ) 4.0 2.2 0.8
assign (resid   36 and  name HG#  )(resid   37 and  name HN   ) 3.0 1.2 0.5
assign (resid   37 and  name HG#  )(resid   38 and  name HN   ) 3.0 1.2 0.8
assign (resid   40 and  name HG2# )(resid   41 and  name HN   ) 3.0 1.2 0.5
assign (resid   41 and  name HG1# )(resid   42 and  name HN   ) 3.0 1.2 0.5 !
assign (resid   47 and  name HG#  )(resid   48 and  name HN   ) 4.0 2.2 0.8
assign (resid   49 and  name HD1  )(resid   50 and  name HN   ) 4.0 2.2 0.8
assign (resid   50 and  name HG#  )(resid   51 and  name HN   ) 3.0 1.2 0.8
assign (resid   51 and  name HG   )(resid   52 and  name HN   ) 4.0 2.2 0.8
assign (resid   52 and  name HD1# )(resid   53 and  name HN   ) 4.0 2.2 0.8
assign (resid   52 and  name HD2# )(resid   53 and  name HN   ) 2.5 0.7 0.6
assign (resid   53 and  name HD1# )(resid   54 and  name HN   ) 4.0 2.2 1.5 !66hd overlap
assign (resid   53 and  name HD2# )(resid   54 and  name HN   ) 3.0 1.2 0.8
assign (resid   54 and  name HG#  )(resid   55 and  name HN   ) 4.0 2.2 0.8
assign (resid   55 and  name HG   )(resid   56 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   55 and  name HD#  )(resid   56 and  name HN   ) 3.0 1.2 0.8
assign (resid   56 and  name HG#  )(resid   57 and  name HN   ) 4.0 2.2 0.8
assign (resid   58 and  name HD1# )(resid   59 and  name HN   ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   59 and  name HN   ) 4.0 2.2 0.8
assign (resid   62 and  name HG1# )(resid   63 and  name HN   ) 2.5 0.7 0.6
assign (resid   62 and  name HG2# )(resid   63 and  name HN   ) 4.0 2.2 0.8
assign (resid   63 and  name HG1# )(resid   64 and  name HN   ) 3.0 1.2 0.8
assign (resid   63 and  name HG2# )(resid   64 and  name HN   ) 3.0 1.2 0.8
assign (resid   63 and  name HD1# )(resid   64 and  name HN   ) 3.0 1.2 0.5
assign (resid   64 and  name HG#  )(resid   65 and  name HN   ) 3.0 1.2 0.8
assign (resid   65 and  name HG1# )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   65 and  name HG2# )(resid   66 and  name HN   ) 3.0 1.2 0.5
assign (resid   65 and  name HD1# )(resid   66 and  name HN   ) 4.0 2.2 1.5
assign (resid   66 and  name HG   )(resid   67 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   66 and  name HD1# )(resid   67 and  name HN   ) 4.0 2.2 0.8 !ol 53hd2
assign (resid   66 and  name HD2# )(resid   67 and  name HN   ) 2.5 0.7 0.6
assign (resid   68 and  name HG1# )(resid   69 and  name HN   ) 4.0 2.2 0.8
assign (resid   68 and  name HG2# )(resid   69 and  name HN   ) 3.0 1.2 0.8
assign (resid   69 and  name HG#  )(resid   70 and  name HN   ) 4.0 2.2 0.8
assign (resid   70 and  name HG1  )(resid   71 and  name HN   ) 2.5 0.7 0.6 !
assign (resid   70 and  name HG2# )(resid   71 and  name HN   ) 4.0 2.2 0.8
assign (resid   72 and  name HG#  )(resid   73 and  name HN   ) 4.0 2.2 0.8
assign (resid   74 and  name HG   )(resid   75 and  name HN   ) 4.0 2.2 0.8
assign (resid   74 and  name HD1# )(resid   75 and  name HN   ) 3.0 1.2 0.8
assign (resid   74 and  name HD2# )(resid   75 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HG1  )(resid   77 and  name HN   ) 3.0 1.2 0.5
assign (resid   76 and  name HG2  )(resid   77 and  name HN   ) 2.5 0.7 0.6
assign (resid   78 and  name HG#  )(resid   79 and  name HN   ) 4.0 2.2 0.8
assign (resid   78 and  name HD#  )(resid   79 and  name HN   ) 3.0 1.2 0.8
assign (resid   82 and  name HG   )(resid   83 and  name HN   ) 4.0 2.2 0.8
assign (resid   82 and  name HD1# )(resid   83 and  name HN   ) 4.0 2.2 0.8 !!!!
assign (resid   82 and  name HD2# )(resid   83 and  name HN   ) 4.0 2.2 1.0 !!!!
assign (resid   85 and  name HG   )(resid   86 and  name HN   ) 3.0 1.2 0.8
assign (resid   86 and  name HD1# )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HD2# )(resid   87 and  name HN   ) 4.0 2.2 1.5
assign (resid   90 and  name HG#  )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   90 and  name HD#  )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HG#  )(resid   92 and  name HN   ) 4.0 2.2 0.8 !ol
assign (resid   96 and  name HD#  )(resid   97 and  name HN   ) 4.0 2.2 0.8
assign (resid   98 and  name HD2# )(resid   99 and  name HN   ) 3.0 1.2 0.8 !check 98hd1
assign (resid   99 and  name HD1# )(resid  100 and  name HN   ) 3.0 1.2 0.8
assign (resid   99 and  name HD2# )(resid  100 and  name HN   ) 3.0 1.2 0.8
assign (resid  100 and  name HD1# )(resid  101 and  name HN   ) 4.0 2.2 1.5
assign (resid  101 and  name HG#  )(resid  102 and  name HN   ) 3.0 1.2 0.8 !gaida
assign (resid  106 and  name HG1# )(resid  107 and  name HN   ) 3.0 1.2 0.8
assign (resid  110 and  name HG#  )(resid  111 and  name HN   ) 3.0 1.2 0.8
assign (resid  116 and  name HD1# )(resid  117 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HD2# )(resid  117 and  name HN   ) 3.0 1.2 0.8
!other local CH-NH (|i<3|
assign (resid   15 and  name HG2# )(resid   17 and  name HN   ) 4.0 2.2 1.0
!!!assign (resid   22 and  name HB   )(resid   24 and  name HN   ) 3.0 1.2 0.8 !
assign (resid   22 and  name HG2# )(resid   24 and  name HN   ) 4.0 2.2 0.8 !
assign (resid   35 and  name HG1# )(resid   34 and  name HN   ) 4.0 2.2 0.8 !
assign (resid   36 and  name HD#  )(resid   35 and  name HN   ) 4.0 2.2 0.8
assign (resid   35 and  name HG2# )(resid   37 and  name HN   ) 4.0 2.2 1.5 !!!
assign (resid   38 and  name HA   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HB#  )(resid   37 and  name HN   ) 4.0 2.2 0.8
assign (resid   36 and  name HB#  )(resid   38 and  name HN   ) 3.0 1.2 0.8 !OL
assign (resid   36 and  name HG#  )(resid   38 and  name HN   ) 4.0 2.2 0.8
assign (resid   37 and  name HB#  )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HG#  )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HB#  )(resid   40 and  name HN   ) 4.0 2.2 0.8
assign (resid   42 and  name HA#  )(resid   41 and  name HN   ) 4.0 2.2 1.0
assign (resid   44 and  name HB#  )(resid   43 and  name HN   ) 4.0 2.2 1.5 !!
assign (resid   45 and  name HA   )(resid   44 and  name HN   ) 4.0 2.2 1.0 !
assign (resid   44 and  name HB#  )(resid   46 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HB#  )(resid   48 and  name HN   ) 4.0 2.2 1.0
!!!assign (resid   50 and  name HB#  )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HG#  )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HB#  )(resid   50 and  name HN   ) 3.0 1.2 0.8
assign (resid   51 and  name HB#  )(resid   50 and  name HN   ) 4.0 2.2 1.0 !ol
assign (resid   52 and  name HB#  )(resid   51 and  name HN   ) 3.0 1.2 0.8
assign (resid   52 and  name HD1# )(resid   51 and  name HN   ) 4.0 2.2 2.0 !!!!check
assign (resid   52 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
!!!assign (resid   50 and  name HG#  )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HB#  )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HD2# )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   56 and  name HG#  )(resid   55 and  name HN   ) 4.0 2.2 0.8
assign (resid   55 and  name HD#  )(resid   57 and  name HN   ) 4.0 2.2 1.5
assign (resid   57 and  name HB#  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HD#  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HD#  )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HB#  )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HA   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HG2# )(resid   62 and  name HN   ) 4.0 2.2 0.8
assign (resid   65 and  name HG2# )(resid   64 and  name HN   ) 4.0 2.2 1.0 !
assign (resid   63 and  name HD1# )(resid   65 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   66 and  name HD1# )(resid   68 and  name HN   ) 4.0 2.2 1.0
assign (resid   66 and  name HD2# )(resid   68 and  name HN   ) 4.0 2.2 2.0
assign (resid   70 and  name HG1  )(resid   69 and  name HN   ) 4.0 2.2 0.8
!!!!assign (resid   68 and  name HG2# )(resid   70 and  name HN   ) 4.0 2.2 1.0
assign (resid   71 and  name HA   )(resid   70 and  name HN   ) 4.0 2.2 0.8
assign (resid   72 and  name HB#  )(resid   71 and  name HN   ) 4.0 2.2 0.8 !!
assign (resid   70 and  name HB   )(resid   72 and  name HN   ) 3.0 1.2 0.8
assign (resid   70 and  name HG1  )(resid   72 and  name HN   ) 3.0 1.2 0.8 !!OL
assign (resid   70 and  name HG2# )(resid   72 and  name HN   ) 4.0 2.2 1.0 !!OL check
assign (resid   73 and  name HA   )(resid   72 and  name HN   ) 4.0 2.2 1.0
assign (resid   78 and  name HD#  )(resid   77 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HB#  )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   77 and  name HG#  )(resid   79 and  name HN   ) 3.0 1.2 0.8
assign (resid   80 and  name HA#  )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HB#  )(resid   79 and  name HN   ) 4.0 2.2 1.0 !!!
assign (resid   79 and  name HB#  )(resid   81 and  name HN   ) 4.0 2.2 0.8
assign (resid   84 and  name HA#  )(resid   83 and  name HN   ) 4.0 2.2 1.0 !!!
assign (resid   87 and  name HB#  )(resid   86 and  name HN   ) 4.0 2.2 0.8
assign (resid   85 and  name HB#  )(resid   87 and  name HN   ) 4.0 2.2 0.8
assign (resid   85 and  name HG   )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   89 and  name HB#  )(resid   91 and  name HN   ) 4.0 2.2 0.8
assign (resid   92 and  name HA   )(resid   91 and  name HN   ) 4.0 2.2 1.5 !!!
assign (resid   90 and  name HD#  )(resid   92 and  name HN   ) 4.0 2.2 0.8
assign (resid   93 and  name HA   )(resid   92 and  name HN   ) 4.0 2.2 1.0
assign (resid   94 and  name HB#  )(resid   92 and  name HN   ) 4.0 2.2 1.0
assign (resid   91 and  name HB#  )(resid   93 and  name HN   ) 4.0 2.2 0.8 !check 
assign (resid   94 and  name HG   )(resid   93 and  name HN   ) 4.0 2.2 0.8
assign (resid   92 and  name HB#  )(resid   94 and  name HN   ) 4.0 2.2 0.8 !check
assign (resid  100 and  name HB#  )(resid  102 and  name HN   ) 3.0 1.2 0.8
assign (resid  100 and  name HD1# )(resid  102 and  name HN   ) 4.0 2.2 0.8
assign (resid  100 and  name HD2# )(resid  102 and  name HN   ) 4.0 2.2 0.8
assign (resid  103 and  name HA#  )(resid  102 and  name HN   ) 4.0 2.2 1.0
assign (resid  104 and  name HB#  )(resid  102 and  name HN   ) 4.0 2.2 1.0
assign (resid  101 and  name HB#  )(resid  103 and  name HN   ) 4.0 2.2 0.8
assign (resid  101 and  name HG#  )(resid  103 and  name HN   ) 4.0 2.2 1.0
assign (resid  106 and  name HG2# )(resid  105 and  name HN   ) 4.0 2.2 1.0 !!
assign (resid  111 and  name HB#  )(resid  110 and  name HN   ) 4.0 2.2 1.0
assign (resid  109 and  name HB#  )(resid  111 and  name HN   ) 3.0 1.2 0.8
!!!!assign (resid  111 and  name HB#  )(resid  113 and  name HN   ) 4.0 2.2 1.5 !21
assign (resid  114 and  name HD1# )(resid  113 and  name HN   ) 4.0 2.2 1.0 !
assign (resid  112 and  name HB#  )(resid  114 and  name HN   ) 4.0 2.2 0.8
!!!@assign (resid  119 and  name HD#  )(resid  118 and  name HN   ) 4.0 2.2 1.0
assign (resid  130 and  name HD#  )(resid  129 and  name HN   ) 4.0 2.2 0.8

!NH(i)-NH(i+1)
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 !17
assign (resid   19 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0 !19
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0 !19
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.8
assign (resid   33 and  name HN   )(resid   32 and  name HN   ) 4.0 2.2 1.0 !33
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 4.0 2.2 0.8 !differ from 21 gaida
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 2.5 0.7 0.4
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.5 0.7 0.4
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 2.5 0.7 0.4
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 4.0 2.2 0.8
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 4.0 2.2 1.0 !
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 4.0 2.2 0.8 !44
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 4.0 2.2 0.8 !46
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 4.0 2.2 0.8
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 2.5 0.7 0.4
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 2.5 0.7 0.4
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0 !53
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 0.8
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 4.0 2.2 1.0 !56
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   59 and  name HN   ) 2.5 0.7 0.4
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 3.0 1.2 0.5
assign (resid   62 and  name HN   )(resid   63 and  name HN   ) 4.0 2.2 0.8
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 4.0 2.2 0.8
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 3.0 1.2 0.8
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 3.0 1.2 0.8
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 2.5 0.7 0.4
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 2.5 0.7 0.4
assign (resid   72 and  name HN   )(resid   73 and  name HN   ) 4.0 2.2 1.0 !ol
assign (resid   73 and  name HN   )(resid   74 and  name HN   ) 4.0 2.2 1.0 !ol
assign (resid   76 and  name HN   )(resid   77 and  name HN   ) 4.0 2.2 0.8 !77
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 2.5 0.7 0.4
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 2.5 0.7 0.4
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 4.0 2.2 0.8
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 0.8
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 0.8
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 4.0 2.2 0.8
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 3.0 1.2 0.5
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 2.5 0.7 0.4
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 2.5 0.7 0.4
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 2.5 0.7 0.4
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 4.0 2.2 0.8 !94
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 4.0 2.2 0.8
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 4.0 2.2 0.8
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 4.0 2.2 1.0 !97
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 4.0 2.2 0.8
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 4.0 2.2 0.8
assign (resid  101 and  name HN   )(resid  102 and  name HN   ) 4.0 2.2 0.8 !102
assign (resid  105 and  name HN   )(resid  106 and  name HN   ) 4.0 2.2 0.8
assign (resid  107 and  name HN   )(resid  108 and  name HN   ) 4.0 2.2 1.0 !21only
assign (resid  110 and  name HN   )(resid  111 and  name HN   ) 3.0 1.2 0.5
assign (resid  111 and  name HN   )(resid  112 and  name HN   ) 2.5 0.7 0.6
assign (resid  112 and  name HN   )(resid  113 and  name HN   ) 2.5 0.7 0.6
assign (resid  113 and  name HN   )(resid  114 and  name HN   ) 2.5 0.7 0.6
assign (resid  140 and  name HD#  )(resid  139 and  name HN   ) 4.0 2.2 1.0


!NH(i)-NH(i+2)
assign (resid   37 and  name HN   )(resid   39 and  name HN   ) 3.0 1.2 0.8 !gaixiao
assign (resid   38 and  name HN   )(resid   40 and  name HN   ) 3.0 1.2 0.5
assign (resid   46 and  name HN   )(resid   48 and  name HN   ) 4.0 2.2 1.0 !46
assign (resid   48 and  name HN   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   52 and  name HN   ) 4.0 2.2 0.8
assign (resid   68 and  name HN   )(resid   70 and  name HN   ) 4.0 2.2 0.8
assign (resid   69 and  name HN   )(resid   71 and  name HN   ) 4.0 2.2 0.8
assign (resid   77 and  name HN   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HN   )(resid   81 and  name HN   ) 3.0 1.2 0.8
assign (resid   92 and  name HN   )(resid   94 and  name HN   ) 4.0 2.2 0.8
assign (resid  101 and  name HN   )(resid  103 and  name HN   ) 4.0 2.2 1.0 !!103
assign (resid  102 and  name HN   )(resid  104 and  name HN   ) 4.0 2.2 0.8
assign (resid  110 and  name HN   )(resid  112 and  name HN   ) 4.0 2.2 0.8 !21only
assign (resid  111 and  name HN   )(resid  113 and  name HN   ) 4.0 2.2 0.8 !111

!Long range NH(i)-NH(j)
assign (resid   16 and  name HN   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HN   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid  139 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid  141 and  name HN   ) 4.0 2.2 0.8
assign (resid   21 and  name HN   )(resid  137 and  name HN   ) 4.0 2.2 0.8
assign (resid   22 and  name HN   )(resid   31 and  name HN   ) 4.0 2.2 0.8 !check range
assign (resid   32 and  name HN   )(resid   44 and  name HN   ) 3.0 1.2 0.5
assign (resid   33 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0 !33
assign (resid   34 and  name HN   )(resid   42 and  name HN   ) 3.0 1.2 0.5 !ol diagonal, from 21
assign (resid   34 and  name HN   )(resid   44 and  name HN   ) 4.0 2.2 1.0 !!
assign (resid   35 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   40 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   40 and  name HN   )(resid   37 and  name HN   ) 4.0 2.2 0.8 !40
assign (resid   42 and  name HN   )(resid   36 and  name HN   ) 4.0 2.2 1.0 !!!42 
assign (resid   48 and  name HN   )(resid   51 and  name HN   ) 4.0 2.2 0.8
assign (resid   52 and  name HN   )(resid   68 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   66 and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HN   )(resid   68 and  name HN   ) 4.0 2.2 0.8
assign (resid   56 and  name HN   )(resid   64 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   58 and  name HN   )(resid   62 and  name HN   ) 4.0 2.2 1.0 !62
assign (resid   58 and  name HN   )(resid   63 and  name HN   ) 4.0 2.2 1.0 !!from21
assign (resid   58 and  name HN   )(resid   64 and  name HN   ) 4.0 2.2 0.8
assign (resid   63 and  name HN   )(resid   95 and  name HN   ) 3.0 1.2 0.5
assign (resid   63 and  name HN   )(resid   97 and  name HN   ) 4.0 2.2 1.0 !ol
assign (resid   65 and  name HN   )(resid   74 and  name HN   ) 4.0 2.2 1.0 !!from21
assign (resid   67 and  name HN   )(resid   70 and  name HN   ) 4.0 2.2 1.5 !!
assign (resid   67 and  name HN   )(resid   71 and  name HN   ) 4.0 2.2 1.0 !
assign (resid   67 and  name HN   )(resid   72 and  name HN   ) 3.0 1.2 0.8
assign (resid   67 and  name HN   )(resid   74 and  name HN   ) 4.0 2.2 0.8
assign (resid   68 and  name HN   )(resid   71 and  name HN   ) 4.0 2.2 1.0 !71
assign (resid   73 and  name HN   )(resid   85 and  name HN   ) 3.0 1.2 0.5
assign (resid   75 and  name HN   )(resid   83 and  name HN   ) 3.0 1.2 0.5 !overlap
assign (resid   75 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid   93 and  name HN   ) 4.0 2.2 1.0 !76
assign (resid   77 and  name HN   )(resid   80 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HN   )(resid   81 and  name HN   ) 4.0 2.2 0.8
assign (resid   77 and  name HN   )(resid   82 and  name HN   ) 4.0 2.2 1.5
assign (resid   77 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   89 and  name HN   )(resid   93 and  name HN   ) 4.0 2.2 0.8
assign (resid   91 and  name HN   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid  108 and  name HN   ) 3.0 1.2 0.5
assign (resid   96 and  name HN   )(resid  110 and  name HN   ) 4.0 2.2 0.8
assign (resid   98 and  name HN   )(resid  106 and  name HN   ) 3.0 1.2 0.8
assign (resid  100 and  name HN   )(resid  103 and  name HN   ) 4.0 2.2 1.0 !!!
assign (resid  100 and  name HN   )(resid  104 and  name HN   ) 4.0 2.2 1.0
assign (resid  105 and  name HN   )(resid  136 and  name HN   ) 3.0 1.2 0.8 !!!!!!OL@@@@@CHECK
assign (resid  109 and  name HN   )(resid  114 and  name HN   ) 4.0 2.2 0.8 !114 weak
!!!assign (resid  107 and  name HN   )(resid  116 and  name HN   ) 4.0 2.2 1.0 !21only
assign (resid  110 and  name HN   )(resid  113 and  name HN   ) 4.0 2.2 1.0 
assign (resid  141 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0



!NH(i)-HA(j)
assign (resid   16 and  name HN   )(resid   56 and  name HA   ) 3.0 1.2 0.8
assign (resid   17 and  name HN   )(resid   54 and  name HA   ) 4.0 2.2 1.0 !!
assign (resid   18 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 0.8
assign (resid   18 and  name HN   )(resid   54 and  name HA   ) 3.0 1.2 0.5 !!or 0.8
assign (resid   19 and  name HN   )(resid  140 and  name HA   ) 4.0 2.2 0.8 !!
assign (resid   20 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.0 !!check to21
assign (resid   21 and  name HN   )(resid  136 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid  138 and  name HA   ) 4.0 2.2 0.8 !OL 
assign (resid   22 and  name HN   )(resid   32 and  name HA   ) 3.0 1.2 0.8
assign (resid   32 and  name HN   )(resid   43 and  name HA   ) 3.0 1.2 0.8 !
assign (resid   32 and  name HN   )(resid   44 and  name HA   ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   33 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   41 and  name HA   ) 4.0 2.2 0.8
assign (resid   34 and  name HN   )(resid   42 and  name HA#  ) 4.0 2.2 1.0
assign (resid   34 and  name HN   )(resid   43 and  name HA   ) 3.0 1.2 0.8
assign (resid   35 and  name HN   )(resid   51 and  name HA   ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   41 and  name HA   ) 3.0 1.2 0.5
assign (resid   39 and  name HN   )(resid   36 and  name HA   ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   33 and  name HA   ) 4.0 2.2 0.8 !ol
assign (resid   42 and  name HN   )(resid   35 and  name HA   ) 4.0 2.2 0.8
assign (resid   44 and  name HN   )(resid   31 and  name HA   ) 4.0 2.2 0.8 !ol
assign (resid   44 and  name HN   )(resid   33 and  name HA   ) 4.0 2.2 0.8
assign (resid   48 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.5 !gaida
assign (resid   52 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 !!!
assign (resid   52 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 0.8 !!ol
assign (resid   53 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 0.8
assign (resid   54 and  name HN   )(resid   65 and  name HA   ) 4.0 2.2 0.8
assign (resid   54 and  name HN   )(resid   66 and  name HA   ) 4.0 2.2 0.8
assign (resid   54 and  name HN   )(resid   67 and  name HA1  ) 4.0 2.2 0.8
assign (resid   54 and  name HN   )(resid   67 and  name HA2  ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   68 and  name HA   ) 4.0 2.2 1.5 !!!
assign (resid   55 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.5
assign (resid   56 and  name HN   )(resid   63 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   65 and  name HA   ) 3.0 1.2 0.5
assign (resid   57 and  name HN   )(resid   14 and  name HA   ) 4.0 2.2 1.0 !!
assign (resid   57 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.5
assign (resid   57 and  name HN   )(resid   63 and  name HA   ) 4.0 2.2 1.0 !!
assign (resid   58 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.5 !gaida
assign (resid   58 and  name HN   )(resid   63 and  name HA   ) 3.0 1.2 0.5
assign (resid   59 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.0 !
assign (resid   59 and  name HN   )(resid   63 and  name HA   ) 4.0 2.2 0.8
assign (resid   63 and  name HN   )(resid   57 and  name HA   ) 4.0 2.2 1.0 !!
assign (resid   63 and  name HN   )(resid   94 and  name HA   ) 4.0 2.2 0.8
assign (resid   64 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 0.8
assign (resid   64 and  name HN   )(resid   56 and  name HA   ) 4.0 2.2 0.8
assign (resid   64 and  name HN   )(resid   57 and  name HA   ) 3.0 1.2 0.8
assign (resid   65 and  name HN   )(resid   73 and  name HA   ) 4.0 2.2 1.0
assign (resid   66 and  name HN   )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   66 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 0.8
assign (resid   67 and  name HN   )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   73 and  name HA   ) 3.0 1.2 0.8
assign (resid   68 and  name HN   )(resid   53 and  name HA   ) 3.0 1.2 0.5
assign (resid   70 and  name HN   )(resid   67 and  name HA#  ) 3.0 1.2 0.8 !!
assign (resid   71 and  name HN   )(resid   68 and  name HA   ) 4.0 2.2 0.8 !!!!
assign (resid   73 and  name HN   )(resid   84 and  name HA#  ) 4.0 2.2 0.8
assign (resid   74 and  name HN   )(resid   66 and  name HA   ) 3.0 1.2 0.5
assign (resid   74 and  name HN   )(resid   84 and  name HA#  ) 4.0 2.2 1.0 !
assign (resid   75 and  name HN   )(resid   82 and  name HA   ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   83 and  name HA   ) 4.0 2.2 1.0
assign (resid   75 and  name HN   )(resid   84 and  name HA#  ) 3.0 1.2 0.8 !ol
assign (resid   76 and  name HN   )(resid   92 and  name HA   ) 4.0 2.2 0.8 !ol
assign (resid   77 and  name HN   )(resid   82 and  name HA   ) 3.0 1.2 0.8 !ol
assign (resid   80 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 0.8
assign (resid   81 and  name HN   )(resid   76 and  name HA   ) 4.0 2.2 0.8
assign (resid   81 and  name HN   )(resid   77 and  name HA   ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   74 and  name HA   ) 4.0 2.2 0.8
assign (resid   83 and  name HN   )(resid   75 and  name HA   ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   76 and  name HA   ) 3.0 1.2 0.5 !76
assign (resid   84 and  name HN   )(resid   39 and  name HA1  ) 3.0 1.2 0.8
assign (resid   84 and  name HN   )(resid   39 and  name HA2  ) 3.0 1.2 0.8
assign (resid   84 and  name HN   )(resid   40 and  name HA   ) 4.0 2.2 1.0 !ol
assign (resid   84 and  name HN   )(resid   74 and  name HA   ) 4.0 2.2 1.0
assign (resid   85 and  name HN   )(resid   72 and  name HA   ) 4.0 2.2 0.8
assign (resid   85 and  name HN   )(resid   73 and  name HA   ) 4.0 2.2 0.8 !gaida
assign (resid   93 and  name HN   )(resid   90 and  name HA   ) 3.0 1.2 0.8
assign (resid   93 and  name HN   )(resid   89 and  name HA   ) 4.0 2.2 0.8 !!!check
assign (resid   94 and  name HN   )(resid   90 and  name HA   ) 3.0 1.2 0.8 !ol 94hb
assign (resid   95 and  name HN   )(resid  109 and  name HA   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid  107 and  name HA   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid  109 and  name HA   ) 4.0 2.2 0.8
assign (resid   96 and  name HN   )(resid  110 and  name HA   ) 4.0 2.2 0.8
assign (resid   97 and  name HN   )(resid   61 and  name HA1  ) 4.0 2.2 0.8
assign (resid   97 and  name HN   )(resid   61 and  name HA2  ) 4.0 2.2 1.0
assign (resid   97 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 0.8 !ol
assign (resid   98 and  name HN   )(resid  107 and  name HA   ) 3.0 1.2 0.8
assign (resid  100 and  name HN   )(resid  105 and  name HA   ) 4.0 2.2 0.8
assign (resid  104 and  name HN   )(resid   99 and  name HA   ) 4.0 2.2 1.0
assign (resid  105 and  name HN   )(resid  135 and  name HA   ) 4.0 2.2 1.0 !!weak?
assign (resid  105 and  name HN   )(resid  137 and  name HA   ) 4.0 2.2 1.0 !!weak?
assign (resid  106 and  name HN   )(resid   97 and  name HA   ) 4.0 2.2 0.8
assign (resid  106 and  name HN   )(resid   98 and  name HA   ) 4.0 2.2 1.0
assign (resid  106 and  name HN   )(resid   99 and  name HA   ) 4.0 2.2 1.0
assign (resid  108 and  name HN   )(resid   96 and  name HA   ) 4.0 2.2 1.0 !!!weak
assign (resid  110 and  name HN   )(resid   95 and  name HA   ) 2.5 0.7 0.6
assign (resid  111 and  name HN   )(resid   92 and  name HA   ) 4.0 2.2 1.5
assign (resid  111 and  name HN   )(resid   95 and  name HA   ) 4.0 2.2 1.5
assign (resid  116 and  name HN   )(resid  108 and  name HA   ) 4.0 2.2 1.0 !!!!
assign (resid  134 and  name HN   )(resid  117 and  name HA   ) 3.0 1.2 0.8 !!!
assign (resid  136 and  name HN   )(resid  106 and  name HA   ) 4.0 2.2 0.8 !!!ol
assign (resid  137 and  name HN   )(resid   22 and  name HA   ) 4.0 2.2 0.8 !!fgf21
assign (resid  139 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.8
assign (resid  141 and  name HN   )(resid   18 and  name HA   ) 2.5 0.7 0.6 !
!NH(i)-CH(j)
assign (resid   16 and  name HN   )(resid   55 and  name HB#  ) 4.0 2.2 0.8 !!ol
assign (resid   16 and  name HN   )(resid   55 and  name HG   ) 4.0 2.2 0.8 !!ol
assign (resid   16 and  name HN   )(resid   55 and  name HD#  ) 4.0 2.2 0.8 !!ol
assign (resid   16 and  name HN   )(resid   56 and  name HG#  ) 4.0 2.2 0.8 !!ol
assign (resid   18 and  name HN   )(resid   52 and  name HD2# ) 3.0 1.2 0.8
assign (resid   18 and  name HN   )(resid   53 and  name HB#  ) 4.0 2.2 0.8 !ol
assign (resid   18 and  name HN   )(resid   55 and  name HD#  ) 4.0 2.2 1.0 !strong hn but no HD1noe change to 55??
assign (resid   19 and  name HN   )(resid   52 and  name HD2# ) 4.0 2.2 1.5 !
assign (resid   19 and  name HN   )(resid  139 and  name HB#  ) 3.0 1.2 0.8 !ol
assign (resid   19 and  name HN   )(resid  140 and  name HD#  ) 4.0 2.2 1.0 !ol
assign (resid   20 and  name HN   )(resid   53 and  name HD1# ) 3.0 1.2 0.8
assign (resid   20 and  name HN   )(resid   33 and  name HB#  ) 3.0 1.2 0.8 !!
assign (resid   21 and  name HN   )(resid  137 and  name HB#  ) 4.0 2.2 0.8 !OL 
assign (resid   21 and  name HN   )(resid  139 and  name HD1# ) 4.0 2.2 0.8
assign (resid   22 and  name HN   )(resid   31 and  name HB#  ) 4.0 2.2 1.5
assign (resid   32 and  name HN   )(resid   44 and  name HB#  ) 4.0 2.2 0.8
assign (resid   33 and  name HN   )(resid   20 and  name HB#  ) 3.0 1.2 0.8 !!ol
assign (resid   33 and  name HN   )(resid   21 and  name HB#  ) 4.0 2.2 0.8
assign (resid   33 and  name HN   )(resid   51 and  name HG   ) 4.0 2.2 0.8
assign (resid   33 and  name HN   )(resid   51 and  name HB#  ) 4.0 2.2 1.0 !!
assign (resid   33 and  name HN   )(resid  118 and  name HD2# ) 4.0 2.2 1.0 !!
assign (resid   34 and  name HN   )(resid   43 and  name HB#  ) 4.0 2.2 1.0 !!
assign (resid   34 and  name HN   )(resid   41 and  name HG1# ) 4.0 2.2 0.8
assign (resid   35 and  name HN   )(resid   50 and  name HB#  ) 4.0 2.2 1.0
assign (resid   35 and  name HN   )(resid   50 and  name HG#  ) 4.0 2.2 0.8
assign (resid   35 and  name HN   )(resid   51 and  name HG   ) 4.0 2.2 1.0 !!CHECK
assign (resid   36 and  name HN   )(resid   41 and  name HG1# ) 4.0 2.2 1.0 !ol
assign (resid   36 and  name HN   )(resid   41 and  name HG2# ) 4.0 2.2 0.8 !ol
assign (resid   37 and  name HN   )(resid   70 and  name HG2# ) 4.0 2.2 0.8
assign (resid   38 and  name HN   )(resid   70 and  name HG2# ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   36 and  name HB#  ) 3.0 1.2 0.8
assign (resid   39 and  name HN   )(resid   36 and  name HG#  ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 1.0
assign (resid   39 and  name HN   )(resid   72 and  name HD#  ) 4.0 2.2 0.8
assign (resid   40 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   36 and  name HB#  ) 3.0 1.2 0.5
assign (resid   40 and  name HN   )(resid   36 and  name HG#  ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   36 and  name HD#  ) 4.0 2.2 0.8
assign (resid   41 and  name HN   )(resid   36 and  name HB#  ) 4.0 2.2 1.0
assign (resid   41 and  name HN   )(resid   36 and  name HD#  ) 4.0 2.2 0.8
assign (resid   42 and  name HN   )(resid   34 and  name HB#  ) 4.0 2.2 0.8 !!!!!gaida 3.8 to 4.8
assign (resid   42 and  name HN   )(resid   34 and  name HG#  ) 4.0 2.2 1.0
assign (resid   42 and  name HN   )(resid   33 and  name HG   ) 4.0 2.2 0.8 !check
assign (resid   42 and  name HN   )(resid   33 and  name HD1# ) 4.0 2.2 1.5 !gaida
assign (resid   42 and  name HN   )(resid   33 and  name HD2# ) 4.0 2.2 0.8
assign (resid   42 and  name HN   )(resid   36 and  name HD#  ) 4.0 2.2 0.8
assign (resid   42 and  name HN   )(resid  118 and  name HD2# ) 4.0 2.2 0.8 !
assign (resid   43 and  name HN   )(resid  118 and  name HD1# ) 3.0 1.2 0.8
assign (resid   44 and  name HN   )(resid   31 and  name HB#  ) 4.0 2.2 0.8 !
assign (resid   44 and  name HN   )(resid   32 and  name HB#  ) 4.0 2.2 0.8 !
assign (resid   44 and  name HN   )(resid  118 and  name HD1# ) 4.0 2.2 2.0 !
assign (resid   48 and  name HN   )(resid   32 and  name HB#  ) 4.0 2.2 0.8
assign (resid   48 and  name HN   )(resid   44 and  name HB#  ) 4.0 2.2 0.8
assign (resid   48 and  name HN   )(resid   51 and  name HB#  ) 3.0 1.2 0.5
assign (resid   50 and  name HN   )(resid   69 and  name HG#  ) 4.0 2.2 0.8
assign (resid   50 and  name HN   )(resid   69 and  name HE#  ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   68 and  name HG2# ) 4.0 2.2 0.8 !!@@
assign (resid   53 and  name HN   )(resid   19 and  name HB#  ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   68 and  name HG1# ) 4.0 2.2 1.0 !!!
assign (resid   54 and  name HN   )(resid   65 and  name HG2# ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   66 and  name HD1# ) 4.0 2.2 1.0 !!!
assign (resid   54 and  name HN   )(resid   66 and  name HD2# ) 4.0 2.2 2.0 !!!
assign (resid   54 and  name HN   )(resid   68 and  name HG1# ) 2.5 0.7 0.6
assign (resid   55 and  name HN   )(resid   15 and  name HG2# ) 3.0 1.2 0.8
assign (resid   55 and  name HN   )(resid   65 and  name HG2# ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   63 and  name HD1# ) 3.0 1.2 0.8
assign (resid   56 and  name HN   )(resid   64 and  name HG#  ) 4.0 2.2 0.8
assign (resid   57 and  name HN   )(resid   14 and  name HB#  ) 4.0 2.2 1.0 !
assign (resid   57 and  name HN   )(resid   15 and  name HB   ) 3.0 1.2 0.8 !
assign (resid   57 and  name HN   )(resid   15 and  name HG1# ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   63 and  name HG2# ) 4.0 2.2 0.8
assign (resid   58 and  name HN   )(resid   62 and  name HB   ) 4.0 2.2 0.8 !!ol
assign (resid   58 and  name HN   )(resid   62 and  name HG1# ) 4.0 2.2 0.8 !
assign (resid   58 and  name HN   )(resid   63 and  name HG2# ) 3.0 1.2 0.5
assign (resid   59 and  name HN   )(resid   62 and  name HB   ) 3.0 1.2 0.8
assign (resid   59 and  name HN   )(resid   62 and  name HG1# ) 3.0 1.2 0.8
assign (resid   59 and  name HN   )(resid   62 and  name HG2# ) 4.0 2.2 0.8
assign (resid   62 and  name HN   )(resid   59 and  name HB#  ) 3.0 1.2 0.5
!!!!assign (resid   62 and  name HN   )(resid   59 and  name HG#  ) 4.0 2.2 1.0
assign (resid   62 and  name HN   )(resid   59 and  name HE#  ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   58 and  name HG   ) 4.0 2.2 1.0 !!!!58HG
assign (resid   63 and  name HN   )(resid   94 and  name HB#  ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   95 and  name HB#  ) 4.0 2.2 1.0
assign (resid   65 and  name HN   )(resid   74 and  name HB#  ) 4.0 2.2 0.8
assign (resid   66 and  name HN   )(resid   53 and  name HD2# ) 4.0 2.2 0.8
assign (resid   66 and  name HN   )(resid   54 and  name HG#  ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   35 and  name HD1# ) 3.0 1.2 0.5
assign (resid   67 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   53 and  name HD2# ) 3.0 1.2 0.8
assign (resid   68 and  name HN   )(resid   52 and  name HD1# ) 4.0 2.2 0.8
assign (resid   68 and  name HN   )(resid   53 and  name HD2# ) 4.0 2.2 0.8
assign (resid   68 and  name HN   )(resid   54 and  name HG#  ) 4.0 2.2 1.5 !gaida
assign (resid   69 and  name HN   )(resid   52 and  name HB#  ) 4.0 2.2 0.8
assign (resid   71 and  name HN   )(resid   66 and  name HD1# ) 4.0 2.2 1.0
assign (resid   71 and  name HN   )(resid   66 and  name HD2# ) 4.0 2.2 0.8
!!!assign (resid   71 and  name HN   )(resid   69 and  name HB#  ) 4.0 2.2 1.0
assign (resid   72 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 0.8 !ss only
assign (resid   72 and  name HN   )(resid   35 and  name HD1# ) 4.0 2.2 1.5 !!!
assign (resid   72 and  name HN   )(resid   66 and  name HD2# ) 3.0 1.2 0.8
!!assign (resid   73 and  name HN   )(resid   66 and  name HB#  ) 4.0 2.2 1.0 !@@check
assign (resid   73 and  name HN   )(resid   66 and  name HD2# ) 4.0 2.2 0.8
assign (resid   73 and  name HN   )(resid   85 and  name HB1  ) 4.0 2.2 1.0
assign (resid   73 and  name HN   )(resid   85 and  name HB2  ) 4.0 2.2 1.0
assign (resid   73 and  name HN   )(resid   85 and  name HG   ) 4.0 2.2 0.8 !!
assign (resid   73 and  name HN   )(resid   86 and  name HD1# ) 4.0 2.2 0.8 !!!check pianxiao
assign (resid   74 and  name HN   )(resid   35 and  name HD1# ) 4.0 2.2 0.8 
assign (resid   74 and  name HN   )(resid   65 and  name HG1# ) 4.0 2.2 0.8 !gaida
assign (resid   74 and  name HN   )(resid   65 and  name HD1# ) 4.0 2.2 1.0
!!!assign (resid   74 and  name HN   )(resid   66 and  name HB#  ) 4.0 2.2 0.8
assign (resid   74 and  name HN   )(resid   66 and  name HD2# ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid   82 and  name HD1# ) 4.0 2.2 0.8
assign (resid   76 and  name HN   )(resid   92 and  name HB#  ) 3.0 1.2 0.5
assign (resid   76 and  name HN   )(resid  109 and  name HB#  ) 4.0 2.2 1.0 !!!
assign (resid   77 and  name HN   )(resid   81 and  name HB#  ) 4.0 2.2 0.8
assign (resid   77 and  name HN   )(resid   82 and  name HD1# ) 4.0 2.2 0.8 !!1or2
assign (resid   79 and  name HN   )(resid  114 and  name HD2# ) 4.0 2.2 1.0
assign (resid   80 and  name HN   )(resid   76 and  name HG#  ) 3.0 1.2 0.5
assign (resid   80 and  name HN   )(resid   77 and  name HB#  ) 4.0 2.2 0.8 !gaida
assign (resid   80 and  name HN   )(resid   77 and  name HG#  ) 3.0 1.2 0.8
assign (resid   80 and  name HN   )(resid   77 and  name HD#  ) 4.0 2.2 0.8
assign (resid   80 and  name HN   )(resid  114 and  name HD1# ) 3.0 1.2 0.5
assign (resid   80 and  name HN   )(resid  114 and  name HD2# ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   76 and  name HG#  ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   77 and  name HB#  ) 3.0 1.2 0.8
assign (resid   81 and  name HN   )(resid   77 and  name HG#  ) 3.0 1.2 0.5 !ol
assign (resid   81 and  name HN   )(resid   77 and  name HD#  ) 3.0 1.2 0.8
assign (resid   82 and  name HN   )(resid   41 and  name HG1# ) 4.0 2.2 1.0
assign (resid   82 and  name HN   )(resid   41 and  name HG2# ) 4.0 2.2 1.0
assign (resid   82 and  name HN   )(resid   77 and  name HD#  ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   41 and  name HG2# ) 4.0 2.2 0.8
assign (resid   83 and  name HN   )(resid   74 and  name HD1# ) 4.0 2.2 0.8 !74hd fan from 21ol
assign (resid   83 and  name HN   )(resid   74 and  name HD2# ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   75 and  name HB#  ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 0.8
assign (resid   84 and  name HN   )(resid   35 and  name HD1# ) 4.0 2.2 0.8
assign (resid   84 and  name HN   )(resid   41 and  name HG2# ) 2.5 0.7 0.6
assign (resid   84 and  name HN   )(resid   72 and  name HB#  ) 4.0 2.2 1.0 !!!
assign (resid   84 and  name HN   )(resid   74 and  name HD1# ) 4.0 2.2 0.8 !fan
assign (resid   85 and  name HN   )(resid   72 and  name HB#  ) 3.0 1.2 0.8
assign (resid   85 and  name HN   )(resid   73 and  name HB#  ) 3.0 1.2 0.8
assign (resid   85 and  name HN   )(resid   35 and  name HG2# ) 4.0 2.2 1.5 !!!
assign (resid   89 and  name HN   )(resid   92 and  name HB#  ) 4.0 2.2 1.0 !!
assign (resid   89 and  name HN   )(resid   93 and  name HB#  ) 3.0 1.2 0.8
assign (resid   91 and  name HN   )(resid   94 and  name HG   ) 4.0 2.2 1.0
assign (resid   91 and  name HN   )(resid  111 and  name HB#  ) 4.0 2.2 1.0 !!!!check
assign (resid   92 and  name HN   )(resid   75 and  name HB#  ) 4.0 2.2 0.8
assign (resid   92 and  name HN   )(resid   89 and  name HB#  ) 4.0 2.2 0.8
assign (resid   93 and  name HN   )(resid   75 and  name HB#  ) 3.0 1.2 0.8
assign (resid   93 and  name HN   )(resid   89 and  name HB#  ) 3.0 1.2 0.8 !!!
assign (resid   94 and  name HN   )(resid   62 and  name HG1# ) 4.0 2.2 0.8 !!!
assign (resid   94 and  name HN   )(resid   90 and  name HB#  ) 4.0 2.2 0.8
assign (resid   94 and  name HN   )(resid  110 and  name HG#  ) 4.0 2.2 0.8
assign (resid   95 and  name HN   )(resid   58 and  name HD1# ) 4.0 2.2 1.0 !58hd1
assign (resid   95 and  name HN   )(resid   62 and  name HG1# ) 3.0 1.2 0.5
assign (resid   95 and  name HN   )(resid   63 and  name HG1# ) 4.0 2.2 0.8
assign (resid   95 and  name HN   )(resid   63 and  name HD1# ) 4.0 2.2 1.0 !!
assign (resid   95 and  name HN   )(resid  110 and  name HB#  ) 4.0 2.2 0.8 !!!
assign (resid   95 and  name HN   )(resid  110 and  name HG#  ) 4.0 2.2 0.8 !!!
assign (resid   96 and  name HN   )(resid   62 and  name HG2# ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid  108 and  name HB#  ) 4.0 2.2 0.8 !ol
assign (resid   96 and  name HN   )(resid  110 and  name HB#  ) 4.0 2.2 0.8
assign (resid   97 and  name HN   )(resid   63 and  name HG1# ) 4.0 2.2 1.0
assign (resid   97 and  name HN   )(resid   63 and  name HG2# ) 4.0 2.2 0.8
assign (resid   98 and  name HN   )(resid  106 and  name HB   ) 4.0 2.2 0.8
assign (resid   98 and  name HN   )(resid  105 and  name HB#  ) 4.0 2.2 1.0
assign (resid  103 and  name HN   )(resid   99 and  name HD1# ) 3.0 1.2 0.8
assign (resid  103 and  name HN   )(resid  100 and  name HB#  ) 4.0 2.2 0.8
assign (resid  104 and  name HN   )(resid   99 and  name HD1# ) 4.0 2.2 0.8
assign (resid  104 and  name HN   )(resid  100 and  name HB#  ) 4.0 2.2 0.8
assign (resid  104 and  name HN   )(resid  100 and  name HG   ) 4.0 2.2 0.8
assign (resid  104 and  name HN   )(resid  100 and  name HD2# ) 4.0 2.2 1.0 !gaida
!!!assign (resid  104 and  name HN   )(resid  101 and  name HG#  ) 4.0 2.2 1.0
assign (resid  104 and  name HN   )(resid  137 and  name HD2# ) 4.0 2.2 1.5 !!!!!!!!!!!!!!
assign (resid  105 and  name HN   )(resid  137 and  name HD2# ) 4.0 2.2 1.0 !!
assign (resid  106 and  name HN   )(resid   98 and  name HB#  ) 3.0 1.2 0.8
assign (resid  106 and  name HN   )(resid   98 and  name HG   ) 4.0 2.2 0.8
assign (resid  106 and  name HN   )(resid   99 and  name HD2# ) 4.0 2.2 1.0
assign (resid  107 and  name HN   )(resid  116 and  name HB#  ) 3.0 1.2 0.8 !ol
assign (resid  107 and  name HN   )(resid  116 and  name HD2# ) 4.0 2.2 0.8 !only 21
assign (resid  108 and  name HN   )(resid   95 and  name HB#  ) 4.0 2.2 0.8
assign (resid  108 and  name HN   )(resid   96 and  name HB#  ) 4.0 2.2 0.8 !ol
assign (resid  108 and  name HN   )(resid   98 and  name HD1# ) 4.0 2.2 1.0 
assign (resid  110 and  name HN   )(resid   62 and  name HG1# ) 4.0 2.2 1.0
assign (resid  110 and  name HN   )(resid   94 and  name HB#  ) 4.0 2.2 0.8
assign (resid  111 and  name HN   )(resid   94 and  name HB#  ) 4.0 2.2 0.8 !!
assign (resid  113 and  name HN   )(resid  109 and  name HB#  ) 4.0 2.2 0.8
!!!assign (resid  113 and  name HN   )(resid  108 and  name HB#  ) 4.0 2.2 1.0 !!
assign (resid  113 and  name HN   )(resid  108 and  name HG#  ) 4.0 2.2 0.8 !!
assign (resid  114 and  name HN   )(resid  108 and  name HG#  ) 4.0 2.2 0.8
assign (resid  114 and  name HN   )(resid  109 and  name HB#  ) 3.0 1.2 0.8
assign (resid  117 and  name HN   )(resid   82 and  name HD1# ) 4.0 2.2 0.8
assign (resid  117 and  name HN   )(resid   82 and  name HD2# ) 3.0 1.2 0.8
assign (resid  118 and  name HN   )(resid  134 and  name HB#  ) 4.0 2.2 0.8
assign (resid  134 and  name HN   )(resid  117 and  name HB#  ) 3.0 1.2 0.8 !
assign (resid  136 and  name HN   )(resid  104 and  name HB#  ) 4.0 2.2 0.8
assign (resid  136 and  name HN   )(resid  106 and  name HG1# ) 3.0 1.2 0.8
assign (resid  136 and  name HN   )(resid  106 and  name HG2# ) 3.0 1.2 0.8
assign (resid  137 and  name HN   )(resid   21 and  name HB#  ) 4.0 2.2 0.8 !fgf21
assign (resid  137 and  name HN   )(resid   22 and  name HG2# ) 4.0 2.2 1.0 !fgf21
assign (resid  139 and  name HN   )(resid   18 and  name HB#  ) 3.0 1.2 0.8
assign (resid  139 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 1.0
assign (resid  139 and  name HN   )(resid   19 and  name HB1  ) 4.0 2.2 0.8
assign (resid  139 and  name HN   )(resid   19 and  name HB2  ) 3.0 1.2 0.8
assign (resid  139 and  name HN   )(resid   20 and  name HD1# ) 4.0 2.2 1.0
assign (resid  141 and  name HN   )(resid   17 and  name HB#  ) 4.0 2.2 0.8
assign (resid  141 and  name HN   )(resid   18 and  name HB#  ) 3.0 1.2 0.8
assign (resid  141 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 0.8
assign (resid  141 and  name HN   )(resid   18 and  name HD#  ) 4.0 2.2 0.8
assign (resid  141 and  name HN   )(resid   52 and  name HD2# ) 4.0 2.2 0.8


!Aromatic
!Y19
!!!assign (resid   19 and  name HE#  )(resid   18 and  name HN   ) 4.0 2.2 1.0 !check to 21
assign (resid   19 and  name HD#  )(resid   18 and  name HA   ) 3.0 1.2 0.8
assign (resid   19 and  name HD#  )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HE#  )(resid   19 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HD#  )(resid   20 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HD#  )(resid   47 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HE#  )(resid   47 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HD#  )(resid   48 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HE#  )(resid   48 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HD#  )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HE#  )(resid   51 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HD#  )(resid   52 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HE#  )(resid   52 and  name HA   ) 4.0 2.2 0.8
assign (resid   19 and  name HE#  )(resid   52 and  name HD1# ) 3.0 1.2 0.5
assign (resid   19 and  name HD#  )(resid   52 and  name HD2# ) 4.0 2.2 0.8
assign (resid   19 and  name HE#  )(resid   52 and  name HD2# ) 3.0 1.2 0.8
assign (resid   19 and  name HD#  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HD#  )(resid  139 and  name HN   ) 4.0 2.2 1.0 !!
assign (resid   19 and  name HD#  )(resid  139 and  name HD1# ) 4.0 2.2 1.0
assign (resid   19 and  name HD#  )(resid  139 and  name HD2# ) 4.0 2.2 1.5 !!!check
assign (resid   19 and  name HD#  )(resid  141 and  name HN   ) 4.0 2.2 0.8
assign (resid   19 and  name HE#  )(resid  141 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HE#  )(resid  141 and  name HA#  ) 3.0 1.2 0.5
!Y21
assign (resid   21 and  name HD#  )(resid   21 and  name HN   ) 4.0 2.2 0.8
!!!assign (resid   21 and  name HE#  )(resid   21 and  name HN   ) 4.0 2.2 0.8 !!!check
assign (resid   21 and  name HD#  )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   21 and  name HD#  )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HE#  )(resid   22 and  name HN   ) 4.0 2.2 0.8
assign (resid   21 and  name HE#  )(resid   23 and  name HN   ) 4.0 2.2 1.0 !
assign (resid   21 and  name HD#  )(resid   32 and  name HA   ) 4.0 2.2 1.0 
assign (resid   21 and  name HD#  )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HD#  )(resid  137 and  name HN   ) 4.0 2.2 0.8
assign (resid   21 and  name HD#  )(resid  137 and  name HB#  ) 3.0 1.2 0.8 !!21 aromatic noe
assign (resid   21 and  name HD#  )(resid  137 and  name HD1# ) 4.0 2.2 0.8 !!checkrange
assign (resid   21 and  name HE#  )(resid  137 and  name HD1# ) 4.0 2.2 0.8 !!checkrange
assign (resid   21 and  name HD#  )(resid  137 and  name HD2# ) 4.0 2.2 0.8 !
assign (resid   21 and  name HD#  )(resid  139 and  name HD1# ) 3.0 1.2 0.8
assign (resid   21 and  name HE#  )(resid  139 and  name HD1# ) 4.0 2.2 0.8
assign (resid   21 and  name HD#  )(resid  139 and  name HD2# ) 3.0 1.2 0.8 !!


!H32
assign (resid   32 and  name HD2  )(resid   32 and  name HA   ) 4.0 2.2 1.0
assign (resid   32 and  name HD2  )(resid   47 and  name HN   ) 4.0 2.2 0.8 !gaida

!F73
assign (resid   73 and  name HD#  )(resid   64 and  name HG#  ) 3.0 1.2 0.5
assign (resid   73 and  name HD#  )(resid   64 and  name HE#  ) 2.5 0.7 0.4 !
assign (resid   73 and  name HD#  )(resid   66 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HD#  )(resid   66 and  name HD1# ) 4.0 2.2 0.8 !ol!!!!!!!!!
assign (resid   73 and  name HE#  )(resid   66 and  name HD1# ) 4.0 2.2 0.8 !ol!!!!!!!!!gaixiao
assign (resid   73 and  name HD#  )(resid   66 and  name HD2# ) 3.0 1.2 0.8 !gaida
assign (resid   73 and  name HE#  )(resid   66 and  name HD2# ) 3.0 1.2 0.8
assign (resid   73 and  name HD#  )(resid   72 and  name HA   ) 3.0 1.2 0.8
assign (resid   73 and  name HD#  )(resid   73 and  name HN   ) 2.5 0.7 0.4
assign (resid   73 and  name HE#  )(resid   73 and  name HN   ) 4.0 2.2 0.8
assign (resid   73 and  name HD#  )(resid   74 and  name HN   ) 4.0 2.2 0.8
assign (resid   73 and  name HD#  )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HD#  )(resid   86 and  name HA   ) 4.0 2.2 0.8
assign (resid   73 and  name HD#  )(resid   86 and  name HD1# ) 4.0 2.2 1.5
assign (resid   73 and  name HD#  )(resid   86 and  name HD2# ) 4.0 2.2 0.8
assign (resid   73 and  name HD#  )(resid   87 and  name HN   ) 4.0 2.2 0.8
assign (resid   73 and  name HD#  )(resid   87 and  name HA   ) 3.0 1.2 0.8

!Y83
assign (resid   83 and  name HD#  )(resid   75 and  name HN   ) 4.0 2.2 1.0
!!assign (resid   83 and  name HE#  )(resid   75 and  name HN   ) 4.0 2.2 1.5
assign (resid   83 and  name HD#  )(resid   76 and  name HA   ) 3.0 1.2 0.8
assign (resid   83 and  name HD#  )(resid   77 and  name HN   ) 3.0 1.2 0.8
assign (resid   83 and  name HE#  )(resid   77 and  name HN   ) 3.0 1.2 0.8
assign (resid   83 and  name HD#  )(resid   81 and  name HB#  ) 4.0 2.2 0.8
assign (resid   83 and  name HE#  )(resid   81 and  name HB#  ) 4.0 2.2 1.5
assign (resid   83 and  name HD#  )(resid   82 and  name HA   ) 3.0 1.2 0.8
!!!assign (resid   83 and  name HD#  )(resid   82 and  name HB#  ) 4.0 2.2 0.8
assign (resid   83 and  name HD#  )(resid   83 and  name HN   ) 2.5 0.7 0.6
assign (resid   83 and  name HE#  )(resid   83 and  name HN   ) 4.0 2.2 0.8
assign (resid   83 and  name HD#  )(resid   83 and  name HB#  ) 2.5 0.7 0.6
assign (resid   83 and  name HD#  )(resid   84 and  name HN   ) 3.0 1.2 0.8
assign (resid   83 and  name HD#  )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HE#  )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HD#  )(resid   85 and  name HA   ) 4.0 2.2 0.8
assign (resid   83 and  name HD#  )(resid   85 and  name HB1  ) 4.0 2.2 0.8
assign (resid   83 and  name HE#  )(resid   85 and  name HB1  ) 3.0 1.2 0.5
assign (resid   83 and  name HE#  )(resid   85 and  name HB2  ) 4.0 2.2 0.8
assign (resid   83 and  name HE#  )(resid   92 and  name HB#  ) 3.0 1.2 0.8

!F88
assign (resid   88 and  name HD#  )(resid   58 and  name HD1# ) 4.0 2.2 1.0
assign (resid   88 and  name HE#  )(resid   58 and  name HD1# ) 3.0 1.2 0.5
assign (resid   88 and  name HZ   )(resid   58 and  name HD1# ) 3.0 1.2 0.5
assign (resid   88 and  name HZ   )(resid   58 and  name HD2# ) 3.0 1.2 0.5
assign (resid   88 and  name HE#  )(resid   64 and  name HB#  ) 4.0 2.2 1.0
assign (resid   88 and  name HE#  )(resid   64 and  name HG#  ) 3.0 1.2 0.8
assign (resid   88 and  name HD#  )(resid   88 and  name HA   ) 2.5 0.7 0.4
assign (resid   88 and  name HE#  )(resid   88 and  name HA   ) 4.0 2.2 0.8
assign (resid   88 and  name HD#  )(resid   88 and  name HB#  ) 4.0 2.2 0.8
assign (resid   88 and  name HE#  )(resid   88 and  name HB#  ) 4.0 2.2 1.0
assign (resid   88 and  name HD#  )(resid   89 and  name HN   ) 2.5 0.7 0.6
assign (resid   88 and  name HE#  )(resid   89 and  name HN   ) 3.0 1.2 0.8
assign (resid   88 and  name HZ   )(resid   90 and  name HA   ) 2.5 0.7 0.6
assign (resid   88 and  name HE#  )(resid   90 and  name HB#  ) 3.0 1.2 0.8
assign (resid   88 and  name HZ   )(resid   90 and  name HB#  ) 3.0 1.2 0.8
assign (resid   88 and  name HZ   )(resid   90 and  name HG#  ) 4.0 2.2 0.8
!F95
assign (resid   95 and  name HD#  )(resid   63 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HD#  )(resid   63 and  name HD1# ) 4.0 2.2 1.0 !ol
assign (resid   95 and  name HD#  )(resid   64 and  name HA   ) 4.0 2.2 0.8 !!!
assign (resid   95 and  name HE#  )(resid   64 and  name HA   ) 3.0 1.2 0.8
assign (resid   95 and  name HD#  )(resid   65 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HE#  )(resid   65 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HD#  )(resid   65 and  name HD1# ) 3.0 1.2 0.5
assign (resid   95 and  name HE#  )(resid   74 and  name HD1# ) 4.0 2.2 0.8 !21fan
assign (resid   95 and  name HZ   )(resid   74 and  name HD1# ) 3.0 1.2 0.8
assign (resid   95 and  name HE#  )(resid   74 and  name HD2# ) 4.0 2.2 1.0
assign (resid   95 and  name HZ   )(resid   74 and  name HD2# ) 4.0 2.2 1.0
assign (resid   95 and  name HZ   )(resid   75 and  name HN   ) 4.0 2.2 0.8
assign (resid   95 and  name HZ   )(resid   75 and  name HA   ) 3.0 1.2 0.8
assign (resid   95 and  name HZ   )(resid   76 and  name HN   ) 3.0 1.2 0.8
assign (resid   95 and  name HE#  )(resid   76 and  name HN   ) 3.0 1.2 0.8
assign (resid   95 and  name HZ   )(resid   92 and  name HB#  ) 4.0 2.2 1.0
assign (resid   95 and  name HZ   )(resid   93 and  name HA   ) 3.0 1.2 0.5
assign (resid   95 and  name HE#  )(resid   93 and  name HB#  ) 4.0 2.2 0.8
assign (resid   95 and  name HD#  )(resid   94 and  name HN   ) 4.0 2.2 0.8
assign (resid   95 and  name HE#  )(resid   94 and  name HN   ) 4.0 2.2 0.8
!!assign (resid   95 and  name HZ   )(resid   94 and  name HN   ) 4.0 2.2 0.8
assign (resid   95 and  name HD#  )(resid   94 and  name HA   ) 3.0 1.2 0.5
assign (resid   95 and  name HE#  )(resid   94 and  name HA   ) 4.0 2.2 0.8
assign (resid   95 and  name HD#  )(resid   95 and  name HN   ) 3.0 1.2 0.5
assign (resid   95 and  name HE#  )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HD#  )(resid   95 and  name HA   ) 3.0 1.2 0.8
assign (resid   95 and  name HD#  )(resid   95 and  name HB#  ) 3.0 1.2 0.5
assign (resid   95 and  name HD#  )(resid   96 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HD#  )(resid  108 and  name HN   ) 4.0 2.2 0.8 !107 OR 95
assign (resid   95 and  name HD#  )(resid  109 and  name HA   ) 3.0 1.2 0.8
assign (resid   95 and  name HD#  )(resid  109 and  name HB#  ) 4.0 2.2 0.8
assign (resid   95 and  name HD#  )(resid  109 and  name HN   ) 4.0 2.2 1.0 
assign (resid   95 and  name HD#  )(resid  116 and  name HD1# ) 3.0 1.2 0.8
assign (resid   95 and  name HE#  )(resid  116 and  name HD1# ) 3.0 1.2 0.5

!Y104
assign (resid  104 and  name HD#  )(resid  102 and  name HN   ) 4.0 2.2 1.0 !!21 only
assign (resid  104 and  name HD#  )(resid  102 and  name HB#  ) 3.0 1.2 0.5
assign (resid  104 and  name HD#  )(resid  103 and  name HN   ) 4.0 2.2 0.8
assign (resid  104 and  name HD#  )(resid  104 and  name HN   ) 2.5 0.7 0.6
assign (resid  104 and  name HE#  )(resid  104 and  name HN   ) 4.0 2.2 1.0
assign (resid  104 and  name HD#  )(resid  104 and  name HB#  ) 2.5 0.7 0.4
assign (resid  104 and  name HD#  )(resid  105 and  name HN   ) 4.0 2.2 0.8
assign (resid  104 and  name HD#  )(resid  137 and  name HB#  ) 4.0 2.2 0.8 !!21 aromatic noe
assign (resid  104 and  name HD#  )(resid  137 and  name HD1# ) 3.0 1.2 0.8
assign (resid  104 and  name HD#  )(resid  137 and  name HD2# ) 3.0 1.2 0.8

!Y107
assign (resid  107 and  name HD#  )(resid   20 and  name HD1# ) 4.0 2.2 1.0
assign (resid  107 and  name HE#  )(resid   20 and  name HD1# ) 3.0 1.2 0.8
assign (resid  107 and  name HD#  )(resid   20 and  name HD2# ) 4.0 2.2 0.8
assign (resid  107 and  name HE#  )(resid   20 and  name HD2# ) 3.0 1.2 0.8
assign (resid  107 and  name HE#  )(resid   55 and  name HD#  ) 3.0 1.2 0.8
assign (resid  107 and  name HH   )(resid   55 and  name HD#  ) 4.0 2.2 0.8
assign (resid  107 and  name HD#  )(resid   63 and  name HG2# ) 4.0 2.2 1.0
assign (resid  107 and  name HE#  )(resid   63 and  name HG2# ) 4.0 2.2 0.8
assign (resid  107 and  name HD#  )(resid   63 and  name HD1# ) 4.0 2.2 0.8 !ol
assign (resid  107 and  name HE#  )(resid   63 and  name HD1# ) 3.0 1.2 0.8
assign (resid  107 and  name HD#  )(resid   97 and  name HA   ) 3.0 1.2 0.8
assign (resid  107 and  name HE#  )(resid   97 and  name HA   ) 4.0 2.2 0.8
assign (resid  107 and  name HD#  )(resid   98 and  name HN   ) 4.0 2.2 0.8
assign (resid  107 and  name HD#  )(resid  107 and  name HN   ) 3.0 1.2 0.5
assign (resid  107 and  name HD#  )(resid  107 and  name HA   ) 3.0 1.2 0.8
assign (resid  107 and  name HD#  )(resid  108 and  name HN   ) 4.0 2.2 0.8 !107 OR 95OL
assign (resid  107 and  name HD#  )(resid  116 and  name HD2# ) 3.0 1.2 0.8

!H117
assign (resid  117 and  name HE1  )(resid  117 and  name HN   ) 4.0 2.2 1.0 !!!!
assign (resid  117 and  name HD2  )(resid  117 and  name HN   ) 4.0 2.2 1.0 !!!!
assign (resid  117 and  name HE1  )(resid   82 and  name HD1# ) 4.0 2.2 0.8 !!!!
assign (resid  117 and  name HD2  )(resid   82 and  name HD1# ) 4.0 2.2 0.8 !!!!

!F136
assign (resid  136 and  name HD#  )(resid   20 and  name HD1# ) 4.0 2.2 0.8
assign (resid  136 and  name HE#  )(resid   20 and  name HD1# ) 4.0 2.2 1.0 !!check@@@@
assign (resid  136 and  name HD#  )(resid   20 and  name HD2# ) 3.0 1.2 0.8
assign (resid  136 and  name HE#  )(resid   20 and  name HD2# ) 4.0 2.2 1.0
assign (resid  136 and  name HD#  )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid  136 and  name HZ   )(resid   22 and  name HN   ) 4.0 2.2 1.0 !
assign (resid  136 and  name HD#  )(resid   22 and  name HB   ) 4.0 2.2 1.0 !!@@@chek
assign (resid  136 and  name HZ   )(resid   22 and  name HB   ) 4.0 2.2 1.0 !!@@@chek
assign (resid  136 and  name HD#  )(resid   22 and  name HG2# ) 4.0 2.2 0.8
assign (resid  136 and  name HE#  )(resid   22 and  name HG2# ) 4.0 2.2 0.8
assign (resid  136 and  name HZ   )(resid   22 and  name HG2# ) 4.0 2.2 0.8
assign (resid  136 and  name HZ   )(resid   33 and  name HN   ) 4.0 2.2 0.8
assign (resid  136 and  name HE#  )(resid   33 and  name HN   ) 4.0 2.2 1.0 !!
assign (resid  136 and  name HE#  )(resid   33 and  name HD1# ) 3.0 1.2 0.8 !ol
assign (resid  136 and  name HZ   )(resid   33 and  name HD1# ) 3.0 1.2 0.8
assign (resid  136 and  name HZ   )(resid   33 and  name HD2# ) 4.0 2.2 0.8
assign (resid  136 and  name HE#  )(resid   33 and  name HD2# ) 4.0 2.2 0.8
assign (resid  136 and  name HD#  )(resid  107 and  name HN   ) 4.0 2.2 1.0 !!!
assign (resid  136 and  name HD#  )(resid  116 and  name HD2# ) 3.0 1.2 0.8
assign (resid  136 and  name HE#  )(resid  116 and  name HD2# ) 3.0 1.2 0.8
assign (resid  136 and  name HE#  )(resid  118 and  name HD1# ) 3.0 1.2 0.8
assign (resid  136 and  name HZ   )(resid  118 and  name HD1# ) 3.0 1.2 0.8
assign (resid  136 and  name HE#  )(resid  118 and  name HD2# ) 3.0 1.2 0.8
assign (resid  136 and  name HZ   )(resid  118 and  name HD2# ) 3.0 1.2 0.8
assign (resid  136 and  name HD#  )(resid  134 and  name HN   ) 4.0 2.2 1.0
assign (resid  136 and  name HE#  )(resid  134 and  name HN   ) 4.0 2.2 1.0
assign (resid  136 and  name HD#  )(resid  134 and  name HB#  ) 3.0 1.2 0.8
assign (resid  136 and  name HE#  )(resid  134 and  name HB#  ) 4.0 2.2 0.8
assign (resid  136 and  name HD#  )(resid  136 and  name HN   ) 3.0 1.2 0.5
assign (resid  136 and  name HD#  )(resid  136 and  name HA   ) 3.0 1.2 0.8
assign (resid  136 and  name HD#  )(resid  137 and  name HN   ) 3.0 1.2 0.8 !fgf21
assign (resid  136 and  name HE#  )(resid  137 and  name HN   ) 4.0 2.2 1.0 !fgf21


!NH2
!Q15
assign (resid   14 and  name HE#  )(resid   14 and  name HG#  ) 2.5 0.7 0.6
!Q17
assign (resid   17 and  name HE#  )(resid   17 and  name HB#  ) 3.0 1.2 0.5
assign (resid   17 and  name HE#  )(resid   17 and  name HG#  ) 2.5 0.7 0.6
assign (resid   17 and  name HE#  )(resid   52 and  name HD1# ) 3.0 1.2 0.8
assign (resid   17 and  name HE#  )(resid   52 and  name HD2# ) 3.0 1.2 0.8
assign (resid   17 and  name HE#  )(resid   68 and  name HG1# ) 4.0 2.2 1.0
assign (resid   17 and  name HE#  )(resid   68 and  name HG2# ) 4.0 2.2 1.0
assign (resid   17 and  name HE#  )(resid  141 and  name HN   ) 4.0 2.2 0.8
!Q47
assign (resid   47 and  name HE#  )(resid   47 and  name HN   ) 4.0 2.2 1.5
assign (resid   47 and  name HE#  )(resid   47 and  name HG#  ) 3.0 1.2 0.5
assign (resid   47 and  name HE#  )(resid  139 and  name HD1# ) 4.0 2.2 1.0
assign (resid   47 and  name HE#  )(resid  139 and  name HD2# ) 4.0 2.2 1.0
!Q54
assign (resid   54 and  name HE#  )(resid   54 and  name HG#  ) 2.5 0.7 0.6
assign (resid   54 and  name HE#  )(resid   54 and  name HA   ) 4.0 2.2 0.8
assign (resid   54 and  name HE#  )(resid   54 and  name HB#  ) 3.0 1.2 0.8
assign (resid   54 and  name HE#  )(resid   66 and  name HD1# ) 4.0 2.2 0.8
assign (resid   54 and  name HE#  )(resid   68 and  name HG1# ) 2.5 0.7 0.6
!Q64
!!!!assign (resid   64 and  name HE#  )(resid   58 and  name HD1# ) 4.0 2.2 1.0
assign (resid   64 and  name HE#  )(resid   58 and  name HD2# ) 4.0 2.2 0.8
assign (resid   64 and  name HE#  )(resid   64 and  name HG#  ) 2.5 0.7 0.6
assign (resid   64 and  name HE#  )(resid   64 and  name HB#  ) 3.0 1.2 0.5
assign (resid   64 and  name HE#  )(resid   66 and  name HB#  ) 4.0 2.2 0.8
assign (resid   64 and  name HE#  )(resid   73 and  name HB#  ) 4.0 2.2 1.0
!Q76
assign (resid   76 and  name HE#  )(resid   76 and  name HB#  ) 3.0 1.2 0.5
assign (resid   76 and  name HE#  )(resid   76 and  name HG#  ) 2.5 0.7 0.6
assign (resid   76 and  name HE#  )(resid   80 and  name HA#  ) 4.0 2.2 1.0
assign (resid   76 and  name HE#  )(resid   82 and  name HD1# ) 3.0 1.2 0.8
assign (resid   76 and  name HE#  )(resid   82 and  name HD2# ) 3.0 1.2 0.8
assign (resid   76 and  name HE#  )(resid  116 and  name HN   ) 4.0 2.2 0.8
assign (resid   76 and  name HE#  )(resid  116 and  name HA   ) 4.0 2.2 0.8
assign (resid   76 and  name HE#  )(resid  116 and  name HD2# ) 4.0 2.2 2.0
assign (resid   76 and  name HE#  )(resid  117 and  name HN   ) 4.0 2.2 1.0

!R72
assign (resid   72 and  name HE   )(resid   37 and  name HA   ) 3.0 1.2 0.5 !@@@
assign (resid   72 and  name HE   )(resid   38 and  name HA   ) 4.0 2.2 0.8 !@@@
assign (resid   72 and  name HE   )(resid   39 and  name HN   ) 4.0 2.2 1.0 !@@@
assign (resid   72 and  name HE   )(resid   70 and  name HG2# ) 4.0 2.2 0.8 !@@@
assign (resid   72 and  name HE   )(resid   72 and  name HD#  ) 3.0 1.2 0.5 !@@@
assign (resid   72 and  name HE   )(resid   72 and  name HB#  ) 4.0 2.2 0.8 !@@@gaida
assign (resid   72 and  name HE   )(resid   86 and  name HD2# ) 3.0 1.2 0.8 !@@@
!N105
assign (resid  105 and  name HD#  )(resid   97 and  name HB#  ) 4.0 2.2 1.0
!!!assign (resid  105 and  name HD#  )(resid   99 and  name HA   ) 4.0 2.2 1.0
assign (resid  105 and  name HD#  )(resid   99 and  name HG   ) 4.0 2.2 0.8
assign (resid  105 and  name HD#  )(resid   99 and  name HD1# ) 3.0 1.2 0.5
assign (resid  105 and  name HD#  )(resid   99 and  name HD2# ) 3.0 1.2 0.8
assign (resid  105 and  name HD#  )(resid  105 and  name HA   ) 3.0 1.2 0.8
assign (resid  105 and  name HD#  )(resid  105 and  name HB#  ) 3.0 1.2 0.8
assign (resid  105 and  name HD#  )(resid  106 and  name HN   ) 4.0 2.2 1.0
assign (resid  105 and  name HD#  )(resid  107 and  name HH   ) 4.0 2.2 0.8 !!
!Q108
assign (resid  108 and  name HE#  )(resid   98 and  name HD2# ) 4.0 2.2 0.8
assign (resid  108 and  name HE#  )(resid  108 and  name HG#  ) 3.0 1.2 0.5
assign (resid  108 and  name HE#  )(resid  108 and  name HB#  ) 3.0 1.2 0.5
assign (resid  108 and  name HE#  )(resid  110 and  name HA   ) 4.0 2.2 0.8 !@@
assign (resid  108 and  name HE#  )(resid  113 and  name HA#  ) 4.0 2.2 0.8
assign (resid  108 and  name HE#  )(resid  114 and  name HN   ) 4.0 2.2 1.0

!N121!!@@@
assign (resid  121 and  name HD#  )(resid   81 and  name HB#  ) 4.0 2.2 1.0
assign (resid  121 and  name HD#  )(resid  120 and  name HA#  ) 3.0 1.2 0.5
assign (resid  121 and  name HD#  )(resid  121 and  name HA   ) 3.0 1.2 0.8
assign (resid  121 and  name HD#  )(resid  121 and  name HB#  ) 3.0 1.2 0.8

!local CH
assign (resid   14 and  name HB#  )(resid   14 and  name HG#  ) 2.5 0.7 0.4
assign (resid   14 and  name HB#  )(resid   14 and  name HA   ) 2.5 0.7 0.6
assign (resid   15 and  name HB   )(resid   15 and  name HA   ) 2.5 0.7 0.4
assign (resid   15 and  name HB   )(resid   15 and  name HG1# ) 2.5 0.7 0.4
assign (resid   15 and  name HB   )(resid   15 and  name HG2# ) 2.5 0.7 0.4
assign (resid   15 and  name HG1# )(resid   14 and  name HA   ) 4.0 2.2 0.8
assign (resid   15 and  name HG1# )(resid   14 and  name HB#  ) 4.0 2.2 0.8
assign (resid   15 and  name HG1# )(resid   15 and  name HA   ) 3.0 1.2 0.5
assign (resid   15 and  name HG2# )(resid   15 and  name HA   ) 3.0 1.2 0.5
assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 2.5 0.7 0.6
assign (resid   16 and  name HA   )(resid   16 and  name HG#  ) 2.5 0.7 0.6
assign (resid   16 and  name HD#  )(resid   16 and  name HB#  ) 3.0 1.2 0.5
assign (resid   16 and  name HD#  )(resid   16 and  name HG#  ) 3.0 1.2 0.5
assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.5 0.7 0.4
assign (resid   17 and  name HA   )(resid   17 and  name HG#  ) 2.5 0.7 0.6
assign (resid   17 and  name HA   )(resid   18 and  name HG#  ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.5 0.7 0.6
assign (resid   18 and  name HA   )(resid   18 and  name HG#  ) 3.0 1.2 0.5
assign (resid   18 and  name HA   )(resid   18 and  name HD#  ) 4.0 2.2 0.8
assign (resid   20 and  name HD1# )(resid   20 and  name HA   ) 2.5 0.7 0.4
assign (resid   20 and  name HD1# )(resid   20 and  name HB#  ) 2.5 0.7 0.6
assign (resid   20 and  name HD1# )(resid   20 and  name HG   ) 2.5 0.7 0.4
assign (resid   20 and  name HD1# )(resid   20 and  name HD2# ) 3.0 1.2 0.5
assign (resid   20 and  name HD2# )(resid   20 and  name HA   ) 4.0 2.2 0.8
assign (resid   20 and  name HD2# )(resid   20 and  name HB#  ) 2.5 0.7 0.6
assign (resid   20 and  name HD2# )(resid   20 and  name HG   ) 2.5 0.7 0.4
assign (resid   21 and  name HA   )(resid   22 and  name HG2# ) 4.0 2.2 1.0 !!!!!!!!!!!!!!!!!!!!!!!!!!CHECK 21UNADD
assign (resid   22 and  name HB   )(resid   22 and  name HA   ) 2.5 0.7 0.6
assign (resid   22 and  name HB   )(resid   22 and  name HG2# ) 2.5 0.7 0.4
assign (resid   22 and  name HG2# )(resid   22 and  name HA   ) 2.5 0.7 0.4
assign (resid   22 and  name HG2# )(resid   23 and  name HA   ) 4.0 2.2 1.0
assign (resid   22 and  name HG2# )(resid   23 and  name HB#  ) 4.0 2.2 1.0
assign (resid   25 and  name HB#  )(resid   25 and  name HA   ) 2.5 0.7 0.4
assign (resid   25 and  name HB#  )(resid   25 and  name HG#  ) 2.5 0.7 0.4
assign (resid   25 and  name HB#  )(resid   25 and  name HD#  ) 3.0 1.2 0.5
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 2.5 0.7 0.6
assign (resid   28 and  name HA   )(resid   28 and  name HD1# ) 3.0 1.2 0.8
assign (resid   28 and  name HA   )(resid   28 and  name HD2# ) 3.0 1.2 0.8 !GAIDA
assign (resid   28 and  name HB#  )(resid   28 and  name HD1# ) 3.0 1.2 0.8
assign (resid   28 and  name HB#  )(resid   28 and  name HD2# ) 3.0 1.2 0.8
!!!assign (resid   28 and  name HD2# )(resid   27 and  name HA#  ) 4.0 2.2 1.0 !!!gaida
assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 3.0 1.2 0.5 !!!
assign (resid   29 and  name HB#  )(resid   28 and  name HB#  ) 3.0 1.2 0.8 !!!
assign (resid   29 and  name HB#  )(resid   28 and  name HD1# ) 4.0 2.2 0.8 !
assign (resid   31 and  name HB#  )(resid   31 and  name HA   ) 2.5 0.7 0.6
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 3.0 1.2 0.5
assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 3.0 1.2 0.5
assign (resid   33 and  name HA   )(resid   33 and  name HG   ) 2.5 0.7 0.6
assign (resid   33 and  name HA   )(resid   33 and  name HD1# ) 3.0 1.2 0.8
assign (resid   33 and  name HD1# )(resid   33 and  name HB#  ) 2.5 0.7 0.6
assign (resid   33 and  name HD1# )(resid   33 and  name HG   ) 2.5 0.7 0.4
assign (resid   33 and  name HD2# )(resid   33 and  name HA   ) 2.5 0.7 0.4
assign (resid   33 and  name HD2# )(resid   33 and  name HG   ) 2.5 0.7 0.4
assign (resid   34 and  name HA   )(resid   34 and  name HB#  ) 2.5 0.7 0.6
assign (resid   35 and  name HA   )(resid   35 and  name HG1# ) 2.5 0.7 0.4
assign (resid   35 and  name HA   )(resid   35 and  name HG2# ) 2.5 0.7 0.4
assign (resid   35 and  name HB   )(resid   35 and  name HG1# ) 2.5 0.7 0.4
assign (resid   35 and  name HG2# )(resid   35 and  name HB   ) 2.5 0.7 0.4
assign (resid   35 and  name HG2# )(resid   35 and  name HG1# ) 2.5 0.7 0.6
assign (resid   35 and  name HD1# )(resid   35 and  name HA   ) 4.0 2.2 0.8
assign (resid   35 and  name HD1# )(resid   35 and  name HB   ) 2.5 0.7 0.6
assign (resid   35 and  name HD1# )(resid   35 and  name HG1# ) 2.5 0.7 0.4
assign (resid   36 and  name HG#  )(resid   36 and  name HA   ) 3.0 1.2 0.5
assign (resid   36 and  name HG#  )(resid   36 and  name HB#  ) 2.5 0.7 0.6
assign (resid   36 and  name HD#  )(resid   36 and  name HB#  ) 2.5 0.7 0.6
assign (resid   36 and  name HD#  )(resid   36 and  name HG#  ) 2.5 0.7 0.6
assign (resid   37 and  name HA   )(resid   37 and  name HB#  ) 2.5 0.7 0.6
assign (resid   37 and  name HA   )(resid   37 and  name HG#  ) 3.0 1.2 0.8
assign (resid   37 and  name HB#  )(resid   37 and  name HG#  ) 2.5 0.7 0.6
assign (resid   38 and  name HB#  )(resid   38 and  name HA   ) 2.5 0.7 0.6
assign (resid   40 and  name HG2# )(resid   38 and  name HB#  ) 4.0 2.2 0.8 !!!
assign (resid   40 and  name HB   )(resid   40 and  name HA   ) 2.5 0.7 0.4
assign (resid   40 and  name HB   )(resid   40 and  name HG2# ) 2.5 0.7 0.6
assign (resid   40 and  name HG2# )(resid   40 and  name HA   ) 2.5 0.7 0.6
assign (resid   41 and  name HB   )(resid   41 and  name HA   ) 3.0 1.2 0.5
assign (resid   41 and  name HG1# )(resid   41 and  name HA   ) 2.5 0.7 0.6
assign (resid   41 and  name HG1# )(resid   41 and  name HB   ) 2.5 0.7 0.6
assign (resid   41 and  name HG1# )(resid   42 and  name HA#  ) 3.0 1.2 0.8
assign (resid   41 and  name HG2# )(resid   41 and  name HA   ) 2.5 0.7 0.6
assign (resid   41 and  name HG2# )(resid   41 and  name HB   ) 2.5 0.7 0.6
assign (resid   43 and  name HA   )(resid   43 and  name HB#  ) 2.5 0.7 0.4
assign (resid   44 and  name HB#  )(resid   43 and  name HA   ) 4.0 2.2 0.8
assign (resid   44 and  name HB#  )(resid   44 and  name HA   ) 2.5 0.7 0.4
assign (resid   44 and  name HB#  )(resid   45 and  name HA   ) 4.0 2.2 0.8 !diff from 21 gaida
assign (resid   44 and  name HB#  )(resid   46 and  name HB#  ) 4.0 2.2 0.8
assign (resid   45 and  name HB#  )(resid   45 and  name HA   ) 2.5 0.7 0.4
assign (resid   45 and  name HB#  )(resid   46 and  name HB#  ) 4.0 2.2 0.8
assign (resid   46 and  name HB#  )(resid   46 and  name HA   ) 2.5 0.7 0.6
assign (resid   47 and  name HA   )(resid   47 and  name HB#  ) 3.0 1.2 0.5
assign (resid   47 and  name HA   )(resid   47 and  name HG#  ) 3.0 1.2 0.5
assign (resid   47 and  name HG#  )(resid   47 and  name HB#  ) 3.0 1.2 0.5
assign (resid   49 and  name HA   )(resid   49 and  name HB#  ) 2.5 0.7 0.4
assign (resid   49 and  name HA   )(resid   49 and  name HG#  ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   50 and  name HB#  ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   50 and  name HG#  ) 3.0 1.2 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HB#  ) 2.5 0.7 0.6
assign (resid   52 and  name HA   )(resid   52 and  name HG   ) 3.0 1.2 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HD2# ) 2.5 0.7 0.6
assign (resid   52 and  name HB#  )(resid   52 and  name HD1# ) 2.5 0.7 0.6
assign (resid   52 and  name HG   )(resid   52 and  name HD1# ) 2.5 0.7 0.6
assign (resid   52 and  name HD1# )(resid   52 and  name HA   ) 4.0 2.2 0.8
assign (resid   52 and  name HD2# )(resid   52 and  name HB#  ) 2.5 0.7 0.6
assign (resid   52 and  name HD2# )(resid   52 and  name HG   ) 2.5 0.7 0.6
assign (resid   52 and  name HD2# )(resid   52 and  name HD1# ) 2.5 0.7 0.4
assign (resid   52 and  name HD2# )(resid   53 and  name HA   ) 4.0 2.2 0.8
assign (resid   52 and  name HD2# )(resid   54 and  name HA   ) 4.0 2.2 0.8
assign (resid   53 and  name HA   )(resid   53 and  name HB#  ) 2.5 0.7 0.6
assign (resid   53 and  name HA   )(resid   53 and  name HG   ) 4.0 2.2 0.8
assign (resid   53 and  name HA   )(resid   53 and  name HD1# ) 3.0 1.2 0.8
assign (resid   53 and  name HA   )(resid   53 and  name HD2# ) 2.5 0.7 0.6
assign (resid   53 and  name HD1# )(resid   53 and  name HB#  ) 2.5 0.7 0.6
assign (resid   53 and  name HD1# )(resid   53 and  name HG   ) 2.5 0.7 0.4
assign (resid   53 and  name HD2# )(resid   53 and  name HB#  ) 2.5 0.7 0.6
assign (resid   53 and  name HD2# )(resid   53 and  name HG   ) 2.5 0.7 0.4
assign (resid   54 and  name HB#  )(resid   54 and  name HA   ) 2.5 0.7 0.4
assign (resid   54 and  name HG#  )(resid   54 and  name HA   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   55 and  name HB#  ) 2.5 0.7 0.6
assign (resid   55 and  name HA   )(resid   55 and  name HG   ) 3.0 1.2 0.5
assign (resid   55 and  name HD#  )(resid   55 and  name HA   ) 2.5 0.7 0.6
assign (resid   55 and  name HD#  )(resid   55 and  name HB#  ) 2.5 0.7 0.6
assign (resid   55 and  name HD#  )(resid   56 and  name HA   ) 3.0 1.2 0.5 !ol
assign (resid   56 and  name HA   )(resid   56 and  name HB#  ) 2.5 0.7 0.6
assign (resid   56 and  name HA   )(resid   56 and  name HG#  ) 3.0 1.2 0.5
assign (resid   56 and  name HD#  )(resid   56 and  name HG#  ) 2.5 0.7 0.6
assign (resid   56 and  name HD#  )(resid   56 and  name HE#  ) 2.5 0.7 0.6
assign (resid   57 and  name HB#  )(resid   56 and  name HA   ) 3.0 1.2 0.8
assign (resid   57 and  name HA   )(resid   57 and  name HB#  ) 2.5 0.7 0.4
assign (resid   57 and  name HB#  )(resid   58 and  name HA   ) 4.0 2.2 0.8
assign (resid   58 and  name HA   )(resid   58 and  name HB#  ) 2.5 0.7 0.6
assign (resid   58 and  name HA   )(resid   58 and  name HG   ) 3.0 1.2 0.5 !ol
assign (resid   58 and  name HA   )(resid   58 and  name HD1# ) 4.0 2.2 0.8 !ol
assign (resid   58 and  name HD1# )(resid   58 and  name HB#  ) 2.5 0.7 0.6
assign (resid   58 and  name HD1# )(resid   58 and  name HG   ) 2.5 0.7 0.4
assign (resid   58 and  name HD1# )(resid   59 and  name HE#  ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   56 and  name HA   ) 4.0 2.2 1.0
assign (resid   58 and  name HD2# )(resid   56 and  name HE#  ) 4.0 2.2 1.5
assign (resid   58 and  name HD2# )(resid   57 and  name HA   ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   58 and  name HA   ) 2.5 0.7 0.4
assign (resid   58 and  name HD2# )(resid   58 and  name HB#  ) 2.5 0.7 0.6
assign (resid   58 and  name HD2# )(resid   58 and  name HG   ) 2.5 0.7 0.6
assign (resid   59 and  name HA   )(resid   59 and  name HB#  ) 3.0 1.2 0.5
assign (resid   59 and  name HG#  )(resid   59 and  name HB#  ) 2.5 0.7 0.6
assign (resid   59 and  name HG#  )(resid   59 and  name HE#  ) 2.5 0.7 0.6
assign (resid   59 and  name HG#  )(resid   59 and  name HD#  ) 2.5 0.7 0.6
assign (resid   59 and  name HD#  )(resid   59 and  name HA   ) 4.0 2.2 0.8
assign (resid   59 and  name HD#  )(resid   59 and  name HB#  ) 4.0 2.2 0.8
assign (resid   59 and  name HE#  )(resid   59 and  name HB#  ) 2.5 0.7 0.6
assign (resid   59 and  name HE#  )(resid   59 and  name HD#  ) 3.0 1.2 0.5
assign (resid   60 and  name HA   )(resid   60 and  name HB#  ) 2.5 0.7 0.6
assign (resid   60 and  name HA   )(resid   60 and  name HD#  ) 4.0 2.2 0.8
assign (resid   60 and  name HA   )(resid   61 and  name HA#  ) 4.0 2.2 0.8
assign (resid   62 and  name HA   )(resid   62 and  name HB   ) 2.5 0.7 0.6
assign (resid   62 and  name HA   )(resid   62 and  name HG1# ) 2.5 0.7 0.6
assign (resid   62 and  name HA   )(resid   62 and  name HG2# ) 2.5 0.7 0.6 
assign (resid   62 and  name HB   )(resid   62 and  name HG2# ) 2.5 0.7 0.6
assign (resid   62 and  name HG1# )(resid   62 and  name HB   ) 2.5 0.7 0.4
assign (resid   62 and  name HG1# )(resid   63 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HG2# )(resid   61 and  name HA#  ) 4.0 2.2 1.0
assign (resid   63 and  name HA   )(resid   63 and  name HB   ) 2.5 0.7 0.6
assign (resid   63 and  name HB   )(resid   63 and  name HG1# ) 2.5 0.7 0.6
assign (resid   63 and  name HG2# )(resid   62 and  name HA   ) 3.0 1.2 0.5
assign (resid   63 and  name HG2# )(resid   63 and  name HA   ) 2.5 0.7 0.4
assign (resid   63 and  name HG2# )(resid   63 and  name HB   ) 2.5 0.7 0.4
assign (resid   63 and  name HG2# )(resid   63 and  name HG1# ) 2.5 0.7 0.6 
assign (resid   63 and  name HD1# )(resid   63 and  name HA   ) 4.0 2.2 0.8
assign (resid   63 and  name HD1# )(resid   63 and  name HB   ) 2.5 0.7 0.6
assign (resid   63 and  name HD1# )(resid   63 and  name HG1# ) 2.5 0.7 0.4
assign (resid   63 and  name HD1# )(resid   64 and  name HA   ) 3.0 1.2 0.8
assign (resid   63 and  name HD1# )(resid   65 and  name HA   ) 4.0 2.2 0.8
assign (resid   63 and  name HD1# )(resid   65 and  name HG1# ) 3.0 1.2 0.8
assign (resid   63 and  name HD1# )(resid   65 and  name HG2# ) 3.0 1.2 0.8
assign (resid   63 and  name HD1# )(resid   65 and  name HD1# ) 4.0 2.2 0.8
assign (resid   64 and  name HA   )(resid   64 and  name HB#  ) 2.5 0.7 0.4
assign (resid   64 and  name HA   )(resid   64 and  name HG#  ) 3.0 1.2 0.5
assign (resid   65 and  name HB   )(resid   65 and  name HG1# ) 2.5 0.7 0.4
assign (resid   65 and  name HG2# )(resid   65 and  name HA   ) 2.5 0.7 0.6 !
assign (resid   65 and  name HG2# )(resid   65 and  name HB   ) 2.5 0.7 0.6
assign (resid   65 and  name HD1# )(resid   64 and  name HA   ) 4.0 2.2 1.5 !!!!!!check
assign (resid   65 and  name HD1# )(resid   65 and  name HA   ) 4.0 2.2 0.8
assign (resid   65 and  name HD1# )(resid   65 and  name HB   ) 2.5 0.7 0.6
assign (resid   65 and  name HD1# )(resid   65 and  name HG1# ) 2.5 0.7 0.4
assign (resid   65 and  name HD1# )(resid   65 and  name HG2# ) 2.5 0.7 0.6
assign (resid   66 and  name HD1# )(resid   66 and  name HA   ) 4.0 2.2 1.0
assign (resid   66 and  name HD1# )(resid   66 and  name HB#  ) 2.5 0.7 0.6
assign (resid   66 and  name HD1# )(resid   66 and  name HG   ) 2.5 0.7 0.4
!!!assign (resid   66 and  name HD1# )(resid   67 and  name HA#  ) 4.0 2.2 0.8 !67ha
assign (resid   66 and  name HD2# )(resid   66 and  name HA   ) 2.5 0.7 0.6
assign (resid   66 and  name HD2# )(resid   66 and  name HB#  ) 2.5 0.7 0.4
assign (resid   66 and  name HD2# )(resid   66 and  name HG   ) 2.5 0.7 0.4
assign (resid   66 and  name HD2# )(resid   66 and  name HD1# ) 2.5 0.7 0.4
assign (resid   68 and  name HA   )(resid   66 and  name HD1# ) 4.0 2.2 0.8
assign (resid   68 and  name HA   )(resid   66 and  name HD2# ) 4.0 2.2 1.0
assign (resid   68 and  name HA   )(resid   68 and  name HB   ) 2.5 0.7 0.4
assign (resid   68 and  name HG1# )(resid   67 and  name HA#  ) 4.0 2.2 0.8
assign (resid   68 and  name HG1# )(resid   68 and  name HA   ) 2.5 0.7 0.6
assign (resid   68 and  name HG1# )(resid   68 and  name HB   ) 2.5 0.7 0.6
assign (resid   68 and  name HG2# )(resid   68 and  name HA   ) 2.5 0.7 0.6
assign (resid   68 and  name HG2# )(resid   68 and  name HB   ) 2.5 0.7 0.4
assign (resid   68 and  name HG2# )(resid   69 and  name HA   ) 3.0 1.2 0.5
assign (resid   69 and  name HA   )(resid   69 and  name HB#  ) 2.5 0.7 0.4
assign (resid   69 and  name HA   )(resid   69 and  name HG#  ) 3.0 1.2 0.5
assign (resid   69 and  name HB#  )(resid   69 and  name HG#  ) 2.5 0.7 0.6
assign (resid   69 and  name HG#  )(resid   69 and  name HE#  ) 2.5 0.7 0.6
assign (resid   70 and  name HA   )(resid   69 and  name HB#  ) 4.0 2.2 0.8
assign (resid   70 and  name HA   )(resid   69 and  name HG#  ) 4.0 2.2 0.8
assign (resid   70 and  name HA   )(resid   69 and  name HE#  ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   70 and  name HB   ) 2.5 0.7 0.6
assign (resid   70 and  name HA   )(resid   70 and  name HG2# ) 2.5 0.7 0.6
assign (resid   70 and  name HB   )(resid   70 and  name HG1  ) 4.0 2.2 0.8
assign (resid   70 and  name HB   )(resid   70 and  name HG2# ) 2.5 0.7 0.4
assign (resid   70 and  name HB   )(resid   72 and  name HB#  ) 3.0 1.2 0.8
assign (resid   71 and  name HA   )(resid   71 and  name HB#  ) 2.5 0.7 0.6
assign (resid   72 and  name HA   )(resid   72 and  name HB#  ) 2.5 0.7 0.6
assign (resid   74 and  name HD1# )(resid   74 and  name HA   ) 3.0 1.2 0.8
assign (resid   74 and  name HD1# )(resid   74 and  name HB#  ) 3.0 1.2 0.8
assign (resid   74 and  name HD1# )(resid   74 and  name HG   ) 3.0 1.2 0.5
assign (resid   74 and  name HD1# )(resid   75 and  name HA   ) 3.0 1.2 0.8
assign (resid   74 and  name HD1# )(resid   76 and  name HA   ) 4.0 2.2 1.0
assign (resid   74 and  name HD2# )(resid   74 and  name HA   ) 4.0 2.2 1.0
assign (resid   74 and  name HD2# )(resid   74 and  name HB#  ) 3.0 1.2 0.8
assign (resid   74 and  name HD2# )(resid   74 and  name HG   ) 2.5 0.7 0.4
assign (resid   74 and  name HD2# )(resid   74 and  name HD1# ) 3.0 1.2 0.5
assign (resid   75 and  name HB#  )(resid   75 and  name HA   ) 2.5 0.7 0.6
assign (resid   76 and  name HA   )(resid   76 and  name HB#  ) 2.5 0.7 0.6
assign (resid   76 and  name HA   )(resid   76 and  name HG#  ) 3.0 1.2 0.5
assign (resid   78 and  name HA   )(resid   78 and  name HB#  ) 2.5 0.7 0.6
assign (resid   79 and  name HA   )(resid   79 and  name HB#  ) 2.5 0.7 0.6
assign (resid   81 and  name HA   )(resid   81 and  name HB#  ) 2.5 0.7 0.4
assign (resid   81 and  name HA   )(resid   82 and  name HA   ) 4.0 2.2 1.0
assign (resid   81 and  name HB#  )(resid   82 and  name HA   ) 4.0 2.2 0.8
assign (resid   82 and  name HA   )(resid   82 and  name HB#  ) 3.0 1.2 0.5
assign (resid   82 and  name HA   )(resid   82 and  name HG   ) 3.0 1.2 0.5
assign (resid   82 and  name HA   )(resid   82 and  name HD1# ) 2.5 0.7 0.4
assign (resid   82 and  name HD1# )(resid   81 and  name HA   ) 3.0 1.2 0.8
assign (resid   82 and  name HD1# )(resid   82 and  name HB#  ) 2.5 0.7 0.6
assign (resid   82 and  name HD1# )(resid   82 and  name HG   ) 2.5 0.7 0.6
assign (resid   82 and  name HD2# )(resid   82 and  name HA   ) 4.0 2.2 0.8
assign (resid   82 and  name HD2# )(resid   82 and  name HB#  ) 2.5 0.7 0.6
assign (resid   82 and  name HD2# )(resid   82 and  name HG   ) 2.5 0.7 0.6
assign (resid   85 and  name HB#  )(resid   85 and  name HA   ) 2.5 0.7 0.6
assign (resid   86 and  name HA   )(resid   86 and  name HB#  ) 3.0 1.2 0.5 !OL
assign (resid   86 and  name HA   )(resid   86 and  name HG   ) 4.0 2.2 0.8 !OL
assign (resid   86 and  name HD1# )(resid   86 and  name HA   ) 3.0 1.2 0.8
assign (resid   86 and  name HD1# )(resid   86 and  name HB#  ) 3.0 1.2 0.5 !OL
assign (resid   86 and  name HD1# )(resid   86 and  name HG   ) 2.5 0.7 0.4
assign (resid   86 and  name HD2# )(resid   86 and  name HA   ) 2.5 0.7 0.6
assign (resid   86 and  name HD2# )(resid   86 and  name HG   ) 2.5 0.7 0.6
assign (resid   87 and  name HA   )(resid   87 and  name HB#  ) 2.5 0.7 0.4
assign (resid   88 and  name HA   )(resid   88 and  name HB#  ) 2.5 0.7 0.4
assign (resid   89 and  name HB#  )(resid   89 and  name HA   ) 2.5 0.7 0.6
assign (resid   90 and  name HA   )(resid   90 and  name HB#  ) 2.5 0.7 0.4
assign (resid   90 and  name HB#  )(resid   90 and  name HD#  ) 3.0 1.2 0.5
assign (resid   91 and  name HA   )(resid   90 and  name HA   ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   90 and  name HB#  ) 4.0 2.2 0.8 !ol
assign (resid   91 and  name HA   )(resid   91 and  name HB#  ) 2.5 0.7 0.6
assign (resid   91 and  name HA   )(resid   91 and  name HG#  ) 2.5 0.7 0.6
assign (resid   92 and  name HB#  )(resid   91 and  name HA   ) 4.0 2.2 0.8
assign (resid   92 and  name HB#  )(resid   91 and  name HB#  ) 4.0 2.2 0.8
assign (resid   92 and  name HB#  )(resid   92 and  name HA   ) 2.5 0.7 0.4
assign (resid   92 and  name HB#  )(resid   93 and  name HA   ) 4.0 2.2 0.8
assign (resid   93 and  name HA   )(resid   93 and  name HB#  ) 2.5 0.7 0.4
assign (resid   95 and  name HA   )(resid   95 and  name HB#  ) 2.5 0.7 0.6
assign (resid   97 and  name HA   )(resid   97 and  name HB#  ) 2.5 0.7 0.4
assign (resid   98 and  name HD1# )(resid   98 and  name HA   ) 3.0 1.2 0.8
assign (resid   98 and  name HD2# )(resid   98 and  name HA   ) 2.5 0.7 0.6
assign (resid   98 and  name HD2# )(resid   98 and  name HB#  ) 2.5 0.7 0.6
assign (resid   98 and  name HD2# )(resid   98 and  name HG   ) 2.5 0.7 0.6
assign (resid   99 and  name HD1# )(resid   99 and  name HA   ) 2.5 0.7 0.4
assign (resid   99 and  name HD1# )(resid   99 and  name HB#  ) 2.5 0.7 0.4
assign (resid   99 and  name HD1# )(resid   99 and  name HG   ) 2.5 0.7 0.4
assign (resid   99 and  name HD2# )(resid   97 and  name HG#  ) 4.0 2.2 0.8 !21
assign (resid   99 and  name HD2# )(resid   99 and  name HA   ) 3.0 1.2 0.5
assign (resid  100 and  name HD1# )(resid  100 and  name HA   ) 3.0 1.2 0.8
assign (resid  100 and  name HD1# )(resid  100 and  name HB#  ) 3.0 1.2 0.8
assign (resid  100 and  name HD1# )(resid  100 and  name HG   ) 2.5 0.7 0.6
assign (resid  101 and  name HA   )(resid  101 and  name HB#  ) 2.5 0.7 0.4
assign (resid  101 and  name HG#  )(resid  101 and  name HA   ) 3.0 1.2 0.5 !gaida
assign (resid  102 and  name HA   )(resid  102 and  name HB#  ) 2.5 0.7 0.4
assign (resid  105 and  name HA   )(resid  105 and  name HB#  ) 2.5 0.7 0.6
assign (resid  105 and  name HA   )(resid  106 and  name HG2# ) 3.0 1.2 0.8
assign (resid  106 and  name HB   )(resid  106 and  name HA   ) 2.5 0.7 0.6 !
assign (resid  106 and  name HG1# )(resid  106 and  name HA   ) 2.5 0.7 0.6
assign (resid  106 and  name HG1# )(resid  106 and  name HB   ) 2.5 0.7 0.6
assign (resid  106 and  name HG2# )(resid  106 and  name HA   ) 3.0 1.2 0.8
assign (resid  106 and  name HG2# )(resid  106 and  name HB   ) 2.5 0.7 0.6
assign (resid  107 and  name HA   )(resid  107 and  name HB#  ) 2.5 0.7 0.4
assign (resid  108 and  name HA   )(resid  108 and  name HB#  ) 2.5 0.7 0.6
assign (resid  108 and  name HA   )(resid  108 and  name HG#  ) 3.0 1.2 0.5
assign (resid  111 and  name HA   )(resid  110 and  name HB#  ) 4.0 2.2 0.8
assign (resid  111 and  name HA   )(resid  111 and  name HB#  ) 2.5 0.7 0.6
assign (resid  111 and  name HB#  )(resid  112 and  name HA   ) 4.0 2.2 0.8
assign (resid  111 and  name HB#  )(resid  112 and  name HB#  ) 4.0 2.2 0.8
assign (resid  112 and  name HB#  )(resid  112 and  name HA   ) 3.0 1.2 0.8 !21
assign (resid  114 and  name HD1# )(resid  112 and  name HB#  ) 3.0 1.2 0.8
assign (resid  114 and  name HD1# )(resid  114 and  name HA   ) 3.0 1.2 0.8
assign (resid  114 and  name HD1# )(resid  114 and  name HB#  ) 3.0 1.2 0.5 !OL
assign (resid  114 and  name HD1# )(resid  114 and  name HG   ) 2.5 0.7 0.4
assign (resid  116 and  name HD1# )(resid  116 and  name HA   ) 3.0 1.2 0.8
assign (resid  116 and  name HD1# )(resid  116 and  name HB#  ) 2.5 0.7 0.6
assign (resid  116 and  name HD1# )(resid  116 and  name HG   ) 2.5 0.7 0.4
assign (resid  116 and  name HD2# )(resid  116 and  name HA   ) 3.0 1.2 0.8
assign (resid  116 and  name HD2# )(resid  116 and  name HB#  ) 2.5 0.7 0.6
assign (resid  116 and  name HD2# )(resid  116 and  name HG   ) 2.5 0.7 0.6
assign (resid  117 and  name HB#  )(resid  117 and  name HA   ) 2.5 0.7 0.6
assign (resid  118 and  name HD1# )(resid  118 and  name HA   ) 3.0 1.2 0.8
assign (resid  118 and  name HD1# )(resid  118 and  name HB#  ) 2.5 0.7 0.4
assign (resid  118 and  name HD2# )(resid  118 and  name HA   ) 3.0 1.2 0.8
assign (resid  118 and  name HD2# )(resid  118 and  name HB#  ) 2.5 0.7 0.4
assign (resid  124 and  name HA   )(resid  124 and  name HB#  ) 2.5 0.7 0.6
assign (resid  126 and  name HA   )(resid  126 and  name HB#  ) 2.5 0.7 0.6
assign (resid  126 and  name HA   )(resid  126 and  name HG#  ) 2.5 0.7 0.6
assign (resid  126 and  name HA   )(resid  126 and  name HD#  ) 4.0 2.2 0.8
assign (resid  128 and  name HA   )(resid  128 and  name HD#  ) 3.0 1.2 0.5
assign (resid  128 and  name HB#  )(resid  128 and  name HA   ) 2.5 0.7 0.4
!!assign (resid  129 and  name HA   )(resid  128 and  name HD#  ) 4.0 2.2 0.8
assign (resid  129 and  name HB#  )(resid  129 and  name HA   ) 2.5 0.7 0.4
assign (resid  130 and  name HB#  )(resid  130 and  name HA   ) 2.5 0.7 0.4
assign (resid  134 and  name HA   )(resid  134 and  name HB#  ) 2.5 0.7 0.4
assign (resid  136 and  name HA   )(resid  136 and  name HB#  ) 3.0 1.2 0.5
assign (resid  137 and  name HB#  )(resid  137 and  name HA   ) 3.0 1.2 0.5 !fgf21
assign (resid  137 and  name HD1# )(resid  137 and  name HA   ) 4.0 2.2 0.8 !ol
assign (resid  137 and  name HD1# )(resid  137 and  name HB#  ) 2.5 0.7 0.6
assign (resid  137 and  name HD2# )(resid  137 and  name HA   ) 2.5 0.7 0.6
assign (resid  137 and  name HD2# )(resid  137 and  name HB#  ) 2.5 0.7 0.6
assign (resid  137 and  name HD2# )(resid  137 and  name HG   ) 2.5 0.7 0.4
assign (resid  137 and  name HD2# )(resid  138 and  name HD#  ) 3.0 1.2 0.5 
assign (resid  138 and  name HA   )(resid  138 and  name HB#  ) 2.5 0.7 0.4
assign (resid  138 and  name HA   )(resid  138 and  name HG#  ) 4.0 2.2 0.8
assign (resid  138 and  name HG#  )(resid  138 and  name HD#  ) 2.5 0.7 0.4
assign (resid  139 and  name HD1# )(resid  139 and  name HB#  ) 2.5 0.7 0.6
assign (resid  139 and  name HD2# )(resid  138 and  name HA   ) 3.0 1.2 0.8 !!gaida
assign (resid  139 and  name HD2# )(resid  139 and  name HA   ) 3.0 1.2 0.8 !gaida
assign (resid  139 and  name HD2# )(resid  139 and  name HB#  ) 2.5 0.7 0.6
assign (resid  140 and  name HA   )(resid  140 and  name HB#  ) 2.5 0.7 0.4
assign (resid  140 and  name HA   )(resid  140 and  name HG#  ) 3.0 1.2 0.8
assign (resid  140 and  name HA   )(resid  140 and  name HD#  ) 4.0 2.2 0.8
assign (resid  140 and  name HD#  )(resid  139 and  name HA   ) 2.5 0.7 0.6
!local CH(i)-CH(j)
assign (resid   15 and  name HB   )(resid   56 and  name HA   ) 4.0 2.2 0.8
assign (resid   15 and  name HG1# )(resid   56 and  name HA   ) 4.0 2.2 0.8
assign (resid   15 and  name HG1# )(resid   56 and  name HG#  ) 3.0 1.2 0.8
assign (resid   15 and  name HG1# )(resid   56 and  name HE#  ) 3.0 1.2 0.8
assign (resid   15 and  name HG2# )(resid   54 and  name HA   ) 4.0 2.2 0.8
assign (resid   15 and  name HG2# )(resid   54 and  name HB#  ) 3.0 1.2 0.8
assign (resid   15 and  name HG2# )(resid   54 and  name HG#  ) 3.0 1.2 0.8
assign (resid   15 and  name HG2# )(resid   56 and  name HA   ) 3.0 1.2 0.8
assign (resid   15 and  name HG2# )(resid   56 and  name HE#  ) 3.0 1.2 0.8
assign (resid   17 and  name HA   )(resid   52 and  name HD2# ) 4.0 2.2 0.8
assign (resid   17 and  name HA   )(resid   54 and  name HA   ) 2.5 0.7 0.6
assign (resid   18 and  name HA   )(resid   52 and  name HD2# ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid  140 and  name HA   ) 3.0 1.2 0.5
assign (resid   18 and  name HA   )(resid  141 and  name HA#  ) 4.0 2.2 0.8
assign (resid   20 and  name HG   )(resid   33 and  name HD1# ) 4.0 2.2 0.8
assign (resid   20 and  name HG   )(resid  136 and  name HB#  ) 3.0 1.2 0.8
assign (resid   20 and  name HD1# )(resid  136 and  name HB#  ) 3.0 1.2 0.5
assign (resid   20 and  name HD1# )(resid  138 and  name HA   ) 2.5 0.7 0.4 !ol
assign (resid   20 and  name HD1# )(resid  138 and  name HB#  ) 2.5 0.7 0.4
assign (resid   20 and  name HD1# )(resid  138 and  name HG#  ) 4.0 2.2 0.8 !OL
assign (resid   20 and  name HD1# )(resid  138 and  name HD#  ) 4.0 2.2 0.8 !OL
assign (resid   20 and  name HD2# )(resid   33 and  name HB#  ) 3.0 1.2 0.5
assign (resid   20 and  name HD2# )(resid   33 and  name HD1# ) 3.0 1.2 0.5
assign (resid   20 and  name HD2# )(resid   33 and  name HD2# ) 4.0 2.2 0.8
assign (resid   20 and  name HD2# )(resid   53 and  name HD1# ) 3.0 1.2 0.5
assign (resid   20 and  name HD2# )(resid  136 and  name HB#  ) 4.0 2.2 0.8
!!!assign (resid   20 and  name HD2# )(resid  138 and  name HA   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   32 and  name HA   ) 3.0 1.2 0.5
assign (resid   22 and  name HB   )(resid  136 and  name HA   ) 3.0 1.2 0.8
assign (resid   22 and  name HG2# )(resid   31 and  name HB#  ) 3.0 1.2 0.8 !!!!check
assign (resid   22 and  name HG2# )(resid  134 and  name HA   ) 4.0 2.2 1.0
assign (resid   22 and  name HG2# )(resid  134 and  name HB#  ) 4.0 2.2 0.8
assign (resid   22 and  name HG2# )(resid  136 and  name HA   ) 3.0 1.2 0.8
assign (resid   22 and  name HG2# )(resid  136 and  name HB#  ) 4.0 2.2 1.0
assign (resid   33 and  name HA   )(resid   43 and  name HA   ) 3.0 1.2 0.8
assign (resid   33 and  name HD2# )(resid   43 and  name HA   ) 3.0 1.2 0.8 !!!!ol
assign (resid   33 and  name HD2# )(resid   42 and  name HA#  ) 4.0 2.2 0.8
assign (resid   35 and  name HA   )(resid   41 and  name HA   ) 3.0 1.2 0.5
assign (resid   35 and  name HG2# )(resid   39 and  name HA#  ) 4.0 2.2 0.8
assign (resid   35 and  name HG2# )(resid   41 and  name HA   ) 4.0 2.2 0.8
assign (resid   35 and  name HG2# )(resid   70 and  name HG1  ) 3.0 1.2 0.8
assign (resid   35 and  name HG2# )(resid   72 and  name HB#  ) 2.5 0.7 0.6
assign (resid   35 and  name HG2# )(resid   72 and  name HD#  ) 4.0 2.2 0.8
assign (resid   35 and  name HG2# )(resid   74 and  name HB#  ) 4.0 2.2 0.8 !!!
assign (resid   35 and  name HG2# )(resid   84 and  name HA1  ) 4.0 2.2 0.8
assign (resid   35 and  name HG2# )(resid   84 and  name HA2  ) 3.0 1.2 0.5
assign (resid   35 and  name HD1# )(resid   67 and  name HA#  ) 3.0 1.2 0.5
assign (resid   35 and  name HD1# )(resid   70 and  name HG1  ) 4.0 2.2 1.0
assign (resid   35 and  name HD1# )(resid   73 and  name HA   ) 4.0 2.2 1.0
assign (resid   35 and  name HD1# )(resid   74 and  name HA   ) 3.0 1.2 0.5
assign (resid   35 and  name HD1# )(resid   84 and  name HA#  ) 4.0 2.2 0.8
assign (resid   35 and  name HD1# )(resid   74 and  name HB#  ) 3.0 1.2 0.8
assign (resid   35 and  name HD1# )(resid   74 and  name HG   ) 4.0 2.2 0.8 !ol
assign (resid   35 and  name HD1# )(resid   65 and  name HD1# ) 4.0 2.2 1.0
assign (resid   36 and  name HD#  )(resid   40 and  name HB   ) 3.0 1.2 0.8
assign (resid   36 and  name HD#  )(resid   41 and  name HA   ) 3.0 1.2 0.8
assign (resid   37 and  name HA   )(resid   70 and  name HG2# ) 2.5 0.7 0.6
assign (resid   40 and  name HB   )(resid   36 and  name HB#  ) 4.0 2.2 1.0 !WEAK
assign (resid   40 and  name HG2# )(resid   36 and  name HD#  ) 4.0 2.2 0.8
assign (resid   41 and  name HG1# )(resid   35 and  name HA   ) 4.0 2.2 1.0
!!!assign (resid   41 and  name HG1# )(resid   82 and  name HA   ) 4.0 2.2 1.0 !!
assign (resid   41 and  name HG1# )(resid   82 and  name HB#  ) 3.0 1.2 0.5 !ol
assign (resid   41 and  name HG1# )(resid  118 and  name HA   ) 4.0 2.2 0.8 !!!!
assign (resid   41 and  name HG1# )(resid  119 and  name HG#  ) 4.0 2.2 0.8 !1!!!
assign (resid   41 and  name HG1# )(resid  119 and  name HD#  ) 4.0 2.2 0.8 !1!!!
assign (resid   41 and  name HG2# )(resid   35 and  name HA   ) 2.5 0.7 0.6
assign (resid   41 and  name HG2# )(resid   82 and  name HA   ) 4.0 2.2 1.0
assign (resid   41 and  name HG2# )(resid   82 and  name HB#  ) 3.0 1.2 0.5 !ol
assign (resid   41 and  name HG2# )(resid   83 and  name HA   ) 2.5 0.7 0.6
assign (resid   41 and  name HG2# )(resid   83 and  name HB#  ) 4.0 2.2 0.8
assign (resid   41 and  name HG2# )(resid   84 and  name HA#  ) 4.0 2.2 1.0
assign (resid   43 and  name HA   )(resid  118 and  name HD2# ) 3.0 1.2 0.8 !!!!!!!!!!!!!
!!!!assign (resid   44 and  name HB#  )(resid   32 and  name HA   ) 4.0 2.2 1.0 !!!!!!!!!!
assign (resid   44 and  name HB#  )(resid   32 and  name HB#  ) 3.0 1.2 0.5
assign (resid   44 and  name HB#  )(resid   43 and  name HB#  ) 4.0 2.2 1.0 !!!!!!!!check
!!!!assign (resid   44 and  name HB#  )(resid   48 and  name HB#  ) 3.0 1.2 0.8 !!!!!!!!!!
assign (resid   44 and  name HB#  )(resid   50 and  name HG#  ) 4.0 2.2 0.8
assign (resid   44 and  name HB#  )(resid   51 and  name HB#  ) 4.0 2.2 0.8
assign (resid   44 and  name HB#  )(resid   47 and  name HB#  ) 4.0 2.2 0.8
assign (resid   45 and  name HA   )(resid   30 and  name HA   ) 4.0 2.2 1.0 !!!!!!!!!
assign (resid   45 and  name HA   )(resid   31 and  name HA   ) 4.0 2.2 0.8 !!!!!!!!!
assign (resid   45 and  name HB#  )(resid   28 and  name HD2# ) 4.0 2.2 0.8 !!!!!!!!!!
assign (resid   45 and  name HB#  )(resid   31 and  name HA   ) 3.0 1.2 0.8 !!!!
assign (resid   50 and  name HA   )(resid   69 and  name HB#  ) 3.0 1.2 0.5
assign (resid   50 and  name HA   )(resid   69 and  name HG#  ) 3.0 1.2 0.8 !gaida
assign (resid   50 and  name HA   )(resid   69 and  name HD#  ) 4.0 2.2 1.0 !!!
assign (resid   52 and  name HD2# )(resid   17 and  name HB#  ) 2.5 0.7 0.6
assign (resid   52 and  name HD2# )(resid   17 and  name HG#  ) 3.0 1.2 0.8 !gaida
assign (resid   52 and  name HD2# )(resid   19 and  name HA   ) 4.0 2.2 0.8
assign (resid   53 and  name HA   )(resid   67 and  name HA#  ) 3.0 1.2 0.5
assign (resid   53 and  name HD1# )(resid   20 and  name HA   ) 4.0 2.2 0.8
assign (resid   53 and  name HD1# )(resid   33 and  name HB#  ) 2.5 0.7 0.6
assign (resid   53 and  name HD2# )(resid   66 and  name HA   ) 4.0 2.2 0.8
assign (resid   53 and  name HD2# )(resid   67 and  name HA1  ) 2.5 0.7 0.6
assign (resid   53 and  name HD2# )(resid   67 and  name HA2  ) 3.0 1.2 0.5
assign (resid   53 and  name HD2# )(resid   65 and  name HB   ) 3.0 1.2 0.8
assign (resid   53 and  name HD2# )(resid   65 and  name HG1# ) 4.0 2.2 0.8
assign (resid   55 and  name HA   )(resid   65 and  name HA   ) 4.0 2.2 0.8
assign (resid   55 and  name HD#  )(resid   65 and  name HA   ) 4.0 2.2 0.8 !!!!!!
assign (resid   56 and  name HA   )(resid   15 and  name HA   ) 3.0 1.2 0.8
assign (resid   57 and  name HB#  )(resid   14 and  name HA   ) 4.0 2.2 0.8
assign (resid   57 and  name HB#  )(resid   14 and  name HB#  ) 3.0 1.2 0.8
assign (resid   57 and  name HB#  )(resid   63 and  name HB   ) 4.0 2.2 0.8
assign (resid   58 and  name HD1# )(resid   63 and  name HA   ) 4.0 2.2 0.8
assign (resid   58 and  name HD1# )(resid   90 and  name HA   ) 4.0 2.2 0.8 !90ha
assign (resid   58 and  name HD1# )(resid   94 and  name HA   ) 3.0 1.2 0.8
assign (resid   58 and  name HD1# )(resid   94 and  name HB#  ) 3.0 1.2 0.8
assign (resid   58 and  name HD2# )(resid   63 and  name HA   ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   64 and  name HA   ) 4.0 2.2 0.8
assign (resid   58 and  name HD2# )(resid   64 and  name HB#  ) 2.5 0.7 0.6
assign (resid   59 and  name HE#  )(resid   62 and  name HB   ) 3.0 1.2 0.8
assign (resid   60 and  name HA   )(resid   57 and  name HB#  ) 4.0 2.2 1.0
assign (resid   62 and  name HG1# )(resid   58 and  name HB#  ) 2.5 0.7 0.6 !ol
assign (resid   62 and  name HG1# )(resid   59 and  name HB#  ) 4.0 2.2 0.8
assign (resid   62 and  name HG1# )(resid   59 and  name HG#  ) 4.0 2.2 0.8
assign (resid   62 and  name HG1# )(resid   59 and  name HD#  ) 4.0 2.2 1.0
assign (resid   62 and  name HG1# )(resid   59 and  name HE#  ) 3.0 1.2 0.5
assign (resid   62 and  name HG1# )(resid   94 and  name HA   ) 3.0 1.2 0.5
assign (resid   62 and  name HG1# )(resid   94 and  name HB1  ) 4.0 2.2 0.8
assign (resid   62 and  name HG1# )(resid   94 and  name HB2  ) 3.0 1.2 0.5
assign (resid   62 and  name HG1# )(resid   94 and  name HG   ) 4.0 2.2 1.0
assign (resid   62 and  name HG2# )(resid   59 and  name HB#  ) 4.0 2.2 0.8
assign (resid   62 and  name HG2# )(resid   59 and  name HD#  ) 3.0 1.2 0.8 !gaida
assign (resid   62 and  name HG2# )(resid   59 and  name HE#  ) 2.5 0.7 0.6
assign (resid   62 and  name HG2# )(resid   96 and  name HA   ) 4.0 2.2 0.8
assign (resid   63 and  name HA   )(resid   57 and  name HA   ) 2.5 0.7 0.6
assign (resid   63 and  name HA   )(resid   57 and  name HB#  ) 4.0 2.2 0.8
assign (resid   63 and  name HG2# )(resid   57 and  name HA   ) 2.5 0.7 0.6
assign (resid   63 and  name HG2# )(resid   57 and  name HB#  ) 3.0 1.2 0.5
assign (resid   63 and  name HD1# )(resid   55 and  name HA   ) 3.0 1.2 0.8
assign (resid   63 and  name HD1# )(resid   95 and  name HB#  ) 4.0 2.2 1.0 !!!
assign (resid   64 and  name HG#  )(resid   73 and  name HB#  ) 3.0 1.2 0.8 !!
assign (resid   65 and  name HG2# )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   65 and  name HG2# )(resid   53 and  name HB#  ) 3.0 1.2 0.8
assign (resid   65 and  name HG2# )(resid   55 and  name HA   ) 3.0 1.2 0.8
assign (resid   65 and  name HG2# )(resid   55 and  name HB#  ) 3.0 1.2 0.8
assign (resid   65 and  name HG2# )(resid   55 and  name HG   ) 4.0 2.2 0.8
assign (resid   65 and  name HD1# )(resid   74 and  name HB#  ) 3.0 1.2 0.8
assign (resid   65 and  name HD1# )(resid   95 and  name HB#  ) 4.0 2.2 1.0
assign (resid   66 and  name HD1# )(resid   54 and  name HG#  ) 3.0 1.2 0.8
assign (resid   66 and  name HD1# )(resid   71 and  name HA   ) 3.0 1.2 0.8
assign (resid   66 and  name HD1# )(resid   73 and  name HA   ) 4.0 2.2 1.0 !!!!!!!!
!!!assign (resid   66 and  name HD2# )(resid   54 and  name HG#  ) 4.0 2.2 1.5
assign (resid   66 and  name HD2# )(resid   71 and  name HA   ) 3.0 1.2 0.5
assign (resid   66 and  name HD2# )(resid   71 and  name HB#  ) 3.0 1.2 0.8
assign (resid   66 and  name HD2# )(resid   73 and  name HA   ) 4.0 2.2 0.8
assign (resid   66 and  name HD2# )(resid   73 and  name HB#  ) 4.0 2.2 0.8
assign (resid   68 and  name HA   )(resid   71 and  name HA   ) 4.0 2.2 0.8
!!!assign (resid   68 and  name HA   )(resid   71 and  name HB#  ) 4.0 2.2 0.8 !!
assign (resid   68 and  name HG1# )(resid   53 and  name HA   ) 3.0 1.2 0.5
assign (resid   68 and  name HG1# )(resid   54 and  name HA   ) 4.0 2.2 0.8
assign (resid   68 and  name HG1# )(resid   54 and  name HB#  ) 4.0 2.2 0.8
assign (resid   68 and  name HG1# )(resid   54 and  name HG#  ) 3.0 1.2 0.5
assign (resid   68 and  name HG2# )(resid   52 and  name HD2# ) 4.0 2.2 0.8
assign (resid   68 and  name HG2# )(resid   53 and  name HA   ) 4.0 2.2 0.8 !
assign (resid   68 and  name HG2# )(resid   53 and  name HD2# ) 4.0 2.2 1.0 !!!!
assign (resid   70 and  name HA   )(resid   37 and  name HB#  ) 4.0 2.2 0.8
assign (resid   70 and  name HA   )(resid   37 and  name HG#  ) 4.0 2.2 0.8
assign (resid   70 and  name HG2# )(resid   37 and  name HB#  ) 3.0 1.2 0.5
assign (resid   70 and  name HG2# )(resid   37 and  name HG#  ) 3.0 1.2 0.8
assign (resid   71 and  name HA   )(resid   66 and  name HG   ) 4.0 2.2 0.8
assign (resid   74 and  name HD2# )(resid   65 and  name HG1# ) 4.0 2.2 0.8
assign (resid   74 and  name HD2# )(resid   65 and  name HD1# ) 4.0 2.2 0.8
assign (resid   74 and  name HD2# )(resid   82 and  name HD2# ) 4.0 2.2 0.8 !!
assign (resid   75 and  name HA   )(resid   93 and  name HA   ) 3.0 1.2 0.5 !OL
assign (resid   75 and  name HA   )(resid   93 and  name HB#  ) 4.0 2.2 0.8
assign (resid   76 and  name HA   )(resid   82 and  name HD1# ) 3.0 1.2 0.8
assign (resid   78 and  name HA   )(resid  114 and  name HD2# ) 4.0 2.2 1.5 !!! 
assign (resid   80 and  name HA#  )(resid  114 and  name HD1# ) 3.0 1.2 0.8
assign (resid   81 and  name HA   )(resid   76 and  name HG#  ) 4.0 2.2 0.8
assign (resid   81 and  name HB#  )(resid   77 and  name HB#  ) 3.0 1.2 0.5
assign (resid   81 and  name HB#  )(resid   77 and  name HD#  ) 2.5 0.7 0.6
assign (resid   82 and  name HA   )(resid   76 and  name HG#  ) 3.0 1.2 0.8
assign (resid   82 and  name HD1# )(resid   76 and  name HG#  ) 4.0 2.2 0.8
assign (resid   82 and  name HD1# )(resid  116 and  name HG   ) 3.0 1.2 0.8
assign (resid   82 and  name HD1# )(resid  116 and  name HD1# ) 3.0 1.2 0.8 !!!!ol
assign (resid   82 and  name HD1# )(resid  116 and  name HD2# ) 3.0 1.2 0.8
assign (resid   82 and  name HD2# )(resid  116 and  name HD1# ) 3.0 1.2 0.5 !!!!OL
assign (resid   82 and  name HD2# )(resid  116 and  name HD2# ) 3.0 1.2 0.8 !!!!OL
!!!CHECKassign (resid   84 and  name HA#  )(resid   74 and  name HD2# ) 4.0 2.2 0.8 !!!
assign (resid   86 and  name HD1# )(resid   71 and  name HB#  ) 4.0 2.2 0.8
assign (resid   86 and  name HD1# )(resid   71 and  name HG   ) 4.0 2.2 0.8
assign (resid   86 and  name HD2# )(resid   72 and  name HA   ) 3.0 1.2 0.8 !!!
assign (resid   86 and  name HD2# )(resid   72 and  name HD#  ) 3.0 1.2 0.8 !!!
assign (resid   88 and  name HA   )(resid   73 and  name HB#  ) 3.0 1.2 0.8 !!!
assign (resid   89 and  name HB#  )(resid   75 and  name HB#  ) 3.0 1.2 0.8 !!!
assign (resid   90 and  name HA   )(resid   94 and  name HG   ) 3.0 1.2 0.8
assign (resid   91 and  name HB#  )(resid  111 and  name HB#  ) 3.0 1.2 0.5
assign (resid   92 and  name HB#  )(resid   75 and  name HA   ) 3.0 1.2 0.8
assign (resid   92 and  name HB#  )(resid   75 and  name HB#  ) 3.0 1.2 0.5
assign (resid   92 and  name HB#  )(resid   89 and  name HB#  ) 2.5 0.7 0.6
assign (resid   93 and  name HA   )(resid   75 and  name HB#  ) 3.0 1.2 0.8
assign (resid   94 and  name HA   )(resid   64 and  name HB#  ) 4.0 2.2 0.8 !!
assign (resid   97 and  name HA   )(resid  107 and  name HA   ) 3.0 1.2 0.5
assign (resid   98 and  name HD2# )(resid   97 and  name HA   ) 4.0 2.2 0.8
assign (resid   98 and  name HD2# )(resid  106 and  name HB   ) 4.0 2.2 0.8 !ol
assign (resid   98 and  name HD2# )(resid  108 and  name HB#  ) 3.0 1.2 0.8 !ol 106hb 108hb
assign (resid   99 and  name HD1# )(resid  103 and  name HA#  ) 3.0 1.2 0.5
assign (resid   99 and  name HD1# )(resid  105 and  name HA   ) 3.0 1.2 0.8
assign (resid   99 and  name HD1# )(resid  105 and  name HB#  ) 4.0 2.2 0.8
assign (resid  100 and  name HD1# )(resid  104 and  name HB#  ) 3.0 1.2 0.5 !!21
assign (resid  105 and  name HA   )(resid   99 and  name HA   ) 2.5 0.7 0.6
assign (resid  105 and  name HA   )(resid  100 and  name HB#  ) 4.0 2.2 0.8
assign (resid  105 and  name HB#  )(resid   99 and  name HG   ) 4.0 2.2 0.8 !!
assign (resid  106 and  name HB   )(resid   98 and  name HB#  ) 3.0 1.2 0.8
assign (resid  106 and  name HG1# )(resid  133 and  name HB#  ) 3.0 1.2 0.8 !!!!OL
assign (resid  106 and  name HG1# )(resid  135 and  name HA   ) 2.5 0.7 0.6
assign (resid  106 and  name HG1# )(resid  136 and  name HB#  ) 3.0 1.2 0.8
assign (resid  106 and  name HG2# )(resid   98 and  name HB#  ) 4.0 2.2 0.8 !!ol
assign (resid  106 and  name HG2# )(resid   99 and  name HA   ) 4.0 2.2 0.8 !!ol
assign (resid  106 and  name HG2# )(resid  136 and  name HB#  ) 4.0 2.2 0.8
assign (resid  107 and  name HA   )(resid   98 and  name HD2# ) 4.0 2.2 0.8
assign (resid  108 and  name HA   )(resid  115 and  name HA   ) 3.0 1.2 0.5
assign (resid  109 and  name HA   )(resid   95 and  name HA   ) 2.5 0.7 0.4
assign (resid  109 and  name HA   )(resid   95 and  name HB#  ) 4.0 2.2 0.8
assign (resid  111 and  name HB#  )(resid   91 and  name HA   ) 2.5 0.7 0.6
assign (resid  111 and  name HB#  )(resid   91 and  name HG#  ) 2.5 0.7 0.6
assign (resid  111 and  name HB#  )(resid   92 and  name HA   ) 4.0 2.2 0.8
assign (resid  111 and  name HB#  )(resid   94 and  name HB#  ) 4.0 2.2 0.8 !ol
assign (resid  114 and  name HD1# )(resid   76 and  name HB#  ) 4.0 2.2 0.8 !!!overlaP
assign (resid  114 and  name HD1# )(resid   76 and  name HG#  ) 3.0 1.2 0.8 !!!overlaP
assign (resid  116 and  name HA   )(resid   82 and  name HD2# ) 3.0 1.2 0.8 !
assign (resid  116 and  name HD1# )(resid  107 and  name HB#  ) 3.0 1.2 0.5
assign (resid  116 and  name HD2# )(resid  107 and  name HB#  ) 3.0 1.2 0.5
assign (resid  118 and  name HD1# )(resid   33 and  name HA   ) 4.0 2.2 0.8
assign (resid  118 and  name HD1# )(resid   42 and  name HA#  ) 3.0 1.2 0.8
assign (resid  118 and  name HD1# )(resid   43 and  name HB#  ) 4.0 2.2 0.8 !!check
assign (resid  118 and  name HD2# )(resid   33 and  name HA   ) 4.0 2.2 0.8 !!
assign (resid  118 and  name HD2# )(resid   42 and  name HA#  ) 3.0 1.2 0.8
assign (resid  118 and  name HD2# )(resid   43 and  name HB#  ) 4.0 2.2 0.8 !!check
assign (resid  134 and  name HB#  )(resid  117 and  name HA   ) 3.0 1.2 0.5
assign (resid  134 and  name HB#  )(resid  117 and  name HB#  ) 3.0 1.2 0.8
!!!!assign (resid  137 and  name HD1# )(resid   21 and  name HB#  ) 4.0 2.2 0.8 !!!!
assign (resid  137 and  name HD1# )(resid   22 and  name HA   ) 4.0 2.2 0.8
assign (resid  137 and  name HD2# )(resid  104 and  name HA   ) 4.0 2.2 0.8
assign (resid  138 and  name HA   )(resid   20 and  name HA   ) 2.5 0.7 0.6
assign (resid  138 and  name HA   )(resid   20 and  name HG   ) 4.0 2.2 0.8 
assign (resid  139 and  name HD1# )(resid   19 and  name HA   ) 4.0 2.2 1.0 !!gaida
assign (resid  139 and  name HD1# )(resid   19 and  name HB#  ) 3.0 1.2 0.5
assign (resid  139 and  name HD1# )(resid   21 and  name HB#  ) 2.5 0.7 0.6
assign (resid  139 and  name HD2# )(resid   19 and  name HB#  ) 3.0 1.2 0.8
assign (resid  140 and  name HA   )(resid   18 and  name HB#  ) 4.0 2.2 0.8
assign (resid  140 and  name HA   )(resid   18 and  name HD#  ) 3.0 1.2 0.8
assign (resid  141 and  name HA#  )(resid   17 and  name HB#  ) 3.0 1.2 0.8
assign (resid  141 and  name HA#  )(resid   52 and  name HD1# ) 3.0 1.2 0.8
assign (resid  141 and  name HA#  )(resid   52 and  name HD2# ) 2.5 0.7 0.6

!hbonds
!from hd_exchange
assign (resid   35 and  name N    )(resid   50 and  name O    ) 3.3 0.8 0.2 !!!TRY
assign (resid   35 and  name HN   )(resid   50 and  name O    ) 2.3 0.8 0.2 !!!TRY
assign (resid   53 and  name N    )(resid   18 and  name O    ) 3.3 0.8 0.2
assign (resid   53 and  name HN   )(resid   18 and  name O    ) 2.3 0.8 0.2
assign (resid   54 and  name N    )(resid   66 and  name O    ) 3.3 0.8 0.2
assign (resid   54 and  name HN   )(resid   66 and  name O    ) 2.3 0.8 0.2
assign (resid   56 and  name N    )(resid   64 and  name O    ) 3.3 0.8 0.2
assign (resid   56 and  name HN   )(resid   64 and  name O    ) 2.3 0.8 0.2
assign (resid   58 and  name N    )(resid   62 and  name O    ) 3.3 0.8 0.2 !
assign (resid   58 and  name HN   )(resid   62 and  name O    ) 2.3 0.8 0.2 !
assign (resid   62 and  name N    )(resid   59 and  name O    ) 3.3 0.8 0.2 !beta turn?
assign (resid   62 and  name HN   )(resid   59 and  name O    ) 2.3 0.8 0.2 !beta turn?
assign (resid   63 and  name N    )(resid   95 and  name O    ) 3.3 0.8 0.2
assign (resid   63 and  name HN   )(resid   95 and  name O    ) 2.3 0.8 0.2
assign (resid   64 and  name N    )(resid   56 and  name O    ) 3.3 0.8 0.2
assign (resid   64 and  name HN   )(resid   56 and  name O    ) 2.3 0.8 0.2
!assign (resid   65 and  name N    )(resid   93 and  name O    ) 3.3 0.8 0.2 !
!assign (resid   65 and  name HN   )(resid   93 and  name O    ) 2.3 0.8 0.2 !
assign (resid   66 and  name N    )(resid   54 and  name O    ) 3.3 0.8 0.2
assign (resid   66 and  name HN   )(resid   54 and  name O    ) 2.3 0.8 0.2
!assign (resid   67 and  name N    )(resid   72 and  name O    ) 3.3 0.8 0.2
!assign (resid   67 and  name HN   )(resid   72 and  name O    ) 2.3 0.8 0.2
!assign (resid   71 and  name N    )(resid   67 and  name O    ) 3.3 0.8 0.2 !
!assign (resid   71 and  name HN   )(resid   67 and  name O    ) 2.3 0.8 0.2 !
!assign (resid   72 and  name N    )(resid   67 and  name O    ) 3.3 0.8 0.2
!assign (resid   72 and  name HN   )(resid   67 and  name O    ) 2.3 0.8 0.2
assign (resid   73 and  name N    )(resid   85 and  name O    ) 3.3 0.8 0.2
assign (resid   73 and  name HN   )(resid   85 and  name O    ) 2.3 0.8 0.2
assign (resid   74 and  name N    )(resid   65 and  name O    ) 3.3 0.8 0.2
assign (resid   74 and  name HN   )(resid   65 and  name O    ) 2.3 0.8 0.2
assign (resid   75 and  name N    )(resid   83 and  name O    ) 3.3 0.8 0.2
assign (resid   75 and  name HN   )(resid   83 and  name O    ) 2.3 0.8 0.2
assign (resid   76 and  name N    )(resid   92 and  name O    ) 3.3 0.8 0.2
assign (resid   76 and  name HN   )(resid   92 and  name O    ) 2.3 0.8 0.2
assign (resid   77 and  name N    )(resid   81 and  name O    ) 3.3 0.8 0.2
assign (resid   77 and  name HN   )(resid   81 and  name O    ) 2.3 0.8 0.2
assign (resid   83 and  name N    )(resid   75 and  name O    ) 3.3 0.8 0.2
assign (resid   83 and  name HN   )(resid   75 and  name O    ) 2.3 0.8 0.2
assign (resid   84 and  name N    )(resid   39 and  name O    ) 3.3 0.8 0.2 !!!
assign (resid   84 and  name HN   )(resid   39 and  name O    ) 2.3 0.8 0.2 !!!
assign (resid   85 and  name N    )(resid   73 and  name O    ) 3.3 0.8 0.2
assign (resid   85 and  name HN   )(resid   73 and  name O    ) 2.3 0.8 0.2
assign (resid   94 and  name N    )(resid   90 and  name O    ) 3.3 0.8 0.2 !!!!
assign (resid   94 and  name HN   )(resid   90 and  name O    ) 2.3 0.8 0.2 !!!!
assign (resid   95 and  name N    )(resid   63 and  name O    ) 3.3 0.8 0.2
assign (resid   95 and  name HN   )(resid   63 and  name O    ) 2.3 0.8 0.2
!!from structure
assign (resid   16 and  name N    )(resid   55 and  name O    ) 3.3 0.8 0.2
assign (resid   16 and  name HN   )(resid   55 and  name O    ) 2.3 0.8 0.2
assign (resid   55 and  name N    )(resid   16 and  name O    ) 3.3 0.8 0.2
assign (resid   55 and  name HN   )(resid   16 and  name O    ) 2.3 0.8 0.2
assign (resid   18 and  name N    )(resid   53 and  name O    ) 3.3 0.8 0.2
assign (resid   18 and  name HN   )(resid   53 and  name O    ) 2.3 0.8 0.2
assign (resid   19 and  name N    )(resid  139 and  name O    ) 3.3 0.8 0.2
assign (resid   19 and  name HN   )(resid  139 and  name O    ) 2.3 0.8 0.2
assign (resid  139 and  name N    )(resid   19 and  name O    ) 3.3 0.8 0.2
assign (resid  139 and  name HN   )(resid   19 and  name O    ) 2.3 0.8 0.2
assign (resid   33 and  name N    )(resid   20 and  name O    ) 3.3 0.8 0.2
assign (resid   33 and  name HN   )(resid   20 and  name O    ) 2.3 0.8 0.2
assign (resid   21 and  name N    )(resid  137 and  name O    ) 3.3 0.8 0.2
assign (resid   21 and  name HN   )(resid  137 and  name O    ) 2.3 0.8 0.2
assign (resid  137 and  name N    )(resid   21 and  name O    ) 3.3 0.8 0.2
assign (resid  137 and  name HN   )(resid   21 and  name O    ) 2.3 0.8 0.2
!!assign (resid   32 and  name N    )(resid   44 and  name O    ) 3.3 0.8 0.2 !!!unfit
!!assign (resid   32 and  name HN   )(resid   44 and  name O    ) 2.3 0.8 0.2 !!!
!!assign (resid   44 and  name N    )(resid   32 and  name O    ) 3.3 0.8 0.2 
!!assign (resid   44 and  name HN   )(resid   32 and  name O    ) 2.3 0.8 0.2 
assign (resid   34 and  name N    )(resid   42 and  name O    ) 3.3 0.8 0.2
assign (resid   34 and  name HN   )(resid   42 and  name O    ) 2.3 0.8 0.2
assign (resid   42 and  name N    )(resid   34 and  name O    ) 3.3 0.8 0.2
assign (resid   42 and  name HN   )(resid   34 and  name O    ) 2.3 0.8 0.2
assign (resid   59 and  name N    )(resid   62 and  name O    ) 3.3 0.8 0.2
assign (resid   59 and  name HN   )(resid   62 and  name O    ) 2.3 0.8 0.2
assign (resid   68 and  name N    )(resid   52 and  name O    ) 3.3 0.8 0.2
assign (resid   68 and  name HN   )(resid   52 and  name O    ) 2.3 0.8 0.2
assign (resid   80 and  name N    )(resid   77 and  name O    ) 3.3 0.8 0.2 !!
assign (resid   80 and  name HN   )(resid   77 and  name O    ) 2.3 0.8 0.2 !!
assign (resid   96 and  name N    )(resid  108 and  name O    ) 3.3 0.8 0.2
assign (resid   96 and  name HN   )(resid  108 and  name O    ) 2.3 0.8 0.2
assign (resid  108 and  name N    )(resid   96 and  name O    ) 3.3 0.8 0.2
assign (resid  108 and  name HN   )(resid   96 and  name O    ) 2.3 0.8 0.2
assign (resid   98 and  name N    )(resid  106 and  name O    ) 3.3 0.8 0.2
assign (resid   98 and  name HN   )(resid  106 and  name O    ) 2.3 0.8 0.2
assign (resid  106 and  name N    )(resid   98 and  name O    ) 3.3 0.8 0.2
assign (resid  106 and  name HN   )(resid   98 and  name O    ) 2.3 0.8 0.2
assign (resid  100 and  name N    )(resid  104 and  name O    ) 3.3 0.8 0.2 !!
assign (resid  100 and  name HN   )(resid  104 and  name O    ) 2.3 0.8 0.2 !!
!!assign (resid  104 and  name N    )(resid  100 and  name O    ) 3.3 0.8 0.2 !!
!!assign (resid  104 and  name HN   )(resid  100 and  name O    ) 2.3 0.8 0.2 !!
assign (resid  103 and  name N    )(resid  100 and  name O    ) 3.3 0.8 0.2 !!
assign (resid  103 and  name HN   )(resid  100 and  name O    ) 2.3 0.8 0.2 !!
assign (resid  105 and  name N    )(resid  136 and  name O    ) 3.3 0.8 0.2 !!
assign (resid  105 and  name HN   )(resid  136 and  name O    ) 2.3 0.8 0.2 !!
assign (resid  136 and  name N    )(resid  105 and  name O    ) 3.3 0.8 0.2 !!
assign (resid  136 and  name HN   )(resid  105 and  name O    ) 2.3 0.8 0.2 !!
assign (resid  116 and  name N    )(resid  107 and  name O    ) 3.3 0.8 0.2 !!
assign (resid  116 and  name HN   )(resid  107 and  name O    ) 2.3 0.8 0.2 !!
!!assign (resid  109 and  name N    )(resid  114 and  name O    ) 3.3 0.8 0.2 
!!assign (resid  109 and  name HN   )(resid  114 and  name O    ) 2.3 0.8 0.2 
!!assign (resid  113 and  name N    )(resid  109 and  name O    ) 3.3 0.8 0.2 !!! 
!!assign (resid  113 and  name HN   )(resid  109 and  name O    ) 2.3 0.8 0.2 !!!
assign (resid   36 and  name N    )(resid   40 and  name O    ) 3.3 0.8 0.2 !!!
assign (resid   36 and  name HN   )(resid   40 and  name O    ) 2.3 0.8 0.2 !!!
assign (resid   39 and  name N    )(resid   36 and  name O    ) 3.3 0.8 0.2 !!!
assign (resid   39 and  name HN   )(resid   36 and  name O    ) 2.3 0.8 0.2 !!!
assign (resid   33 and  name N    )(resid   20 and  name O    ) 3.3 0.8 0.2 !!!
assign (resid   33 and  name HN   )(resid   20 and  name O    ) 2.3 0.8 0.2 !!!
assign (resid   97 and  name N    )(resid   61 and  name O    ) 3.3 0.8 0.2
assign (resid   97 and  name HN   )(resid   61 and  name O    ) 2.3 0.8 0.2
assign (resid   92 and  name N    )(resid   89 and  name O    ) 3.3 0.8 0.2 !!!!
assign (resid   92 and  name HN   )(resid   89 and  name O    ) 2.3 0.8 0.2 !!!!
!!assign (resid   93 and  name N    )(resid   89 and  name O    ) 3.3 0.8 0.2 !!!!
!!assign (resid   93 and  name HN   )(resid   89 and  name O    ) 2.3 0.8 0.2 !!!!
!assign (resid   72 and  name NE   )(resid   37 and  name O    ) 3.3 0.8 0.2 !!!!!
!assign (resid   72 and  name HE   )(resid   37 and  name O    ) 2.3 0.8 0.2 !!!!!
!assign (resid   72 and  name NH#  )(resid   37 and  name O    ) 3.3 0.8 0.2 !!!!!
!assign (resid   72 and  name HH#  )(resid   37 and  name O    ) 2.3 0.8 0.2 !!!!!
!assign (resid   72 and  name NH#  )(resid   84 and  name O    ) 3.3 0.8 0.2 !!!!!
!assign (resid   72 and  name HH#  )(resid   84 and  name O    ) 2.3 0.8 0.2 !!!!!



!assign (resid  113 and  name N    )(resid  119 and  name O    ) 3.3 0.8 0.2 !!! TRY?
!assign (resid  113 and  name HN   )(resid  119 and  name O    ) 2.3 0.8 0.2 !!! TRY?
set echo=true end
set wrnlev=5 end
# Restraints file 2: FGF21coress_dih.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -111.9   24.8 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  137.1   23.3 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -124.3   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  140.6   24.6 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -104.9   27.3 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  128.7   20.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0 -130.1   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  151.3   20.2 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -111.9   23.1 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  125.2   22.5 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -105.8   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  125.9   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0 -113.0   21.6 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  126.2   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0 -135.7   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  155.6   27.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -91.7   44.5 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  148.4   31.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -91.2   64.9 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  140.8   27.3 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0 -110.9   62.7 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  145.0   27.6 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -89.4   26.5 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  119.5   39.1 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0  -74.7   21.4 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  133.6   21.5 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -129.1   26.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  138.1   25.4 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -94.4   44.6 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  129.1   28.2 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -77.1   20.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  162.9   23.4 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -63.4   20.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -23.1   20.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -86.9   20.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0    3.0   20.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0   89.8   20.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0   -1.4   20.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -88.3   27.3 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  155.4   25.1 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0 -122.3   20.1 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  140.1   23.8 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0 -134.8   38.6 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  159.1   27.6 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0 -120.6   38.5 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  137.4   25.6 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -90.5   48.4 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  164.1   21.6 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -63.4   50.0 2 #20 to 50
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -22.6   20.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -56.5   20.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -33.0   20.0 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -70.4   20.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -16.3   20.0 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -97.6   20.0 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0    2.6   20.0 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -83.3   27.3 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  128.0   20.0 2
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0 -117.6   21.0 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  138.7   29.6 2
assign (resid   53 and name C    ) (resid   54 and name N    )
       (resid   54 and name CA   ) (resid   54 and name C    )    1.0 -113.4   38.4 2
assign (resid   54 and name N    ) (resid   54 and name CA   )
       (resid   54 and name C    ) (resid   55 and name N    )    1.0  129.4   33.4 2
assign (resid   54 and name C    ) (resid   55 and name N    )
       (resid   55 and name CA   ) (resid   55 and name C    )    1.0 -100.9   20.9 2
assign (resid   55 and name N    ) (resid   55 and name CA   )
       (resid   55 and name C    ) (resid   56 and name N    )    1.0  125.1   20.0 2
assign (resid   55 and name C    ) (resid   56 and name N    )
       (resid   56 and name CA   ) (resid   56 and name C    )    1.0 -121.0   28.1 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  135.6   30.9 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0  -74.7   20.9 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  129.7   27.3 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0 -107.0   65.0 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  150.5   26.9 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0  -54.7   20.0 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  129.7   23.7 2
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0   85.5   20.0 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
       (resid   61 and name C    ) (resid   62 and name N    )    1.0    0.2   20.0 2
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0 -106.1   35.7 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0  140.6   24.1 2
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0 -129.5   23.5 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0  146.0   22.3 2
assign (resid   63 and name C    ) (resid   64 and name N    )
       (resid   64 and name CA   ) (resid   64 and name C    )    1.0 -131.3   21.4 2
assign (resid   64 and name N    ) (resid   64 and name CA   )
       (resid   64 and name C    ) (resid   65 and name N    )    1.0  142.1   23.5 2
assign (resid   64 and name C    ) (resid   65 and name N    )
       (resid   65 and name CA   ) (resid   65 and name C    )    1.0  -94.6   22.7 2
assign (resid   65 and name N    ) (resid   65 and name CA   )
       (resid   65 and name C    ) (resid   66 and name N    )    1.0  121.2   20.0 2
assign (resid   65 and name C    ) (resid   66 and name N    )
       (resid   66 and name CA   ) (resid   66 and name C    )    1.0 -120.1   22.5 2
assign (resid   66 and name N    ) (resid   66 and name CA   )
       (resid   66 and name C    ) (resid   67 and name N    )    1.0  137.2   20.8 2
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -66.5   20.0 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0  -30.6   20.0 2
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -70.6   20.0 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  -35.2   20.0 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0 -109.9   20.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0   -5.3   20.0 2
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0   55.9   20.0 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0   42.1   20.0 2
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0 -123.2   31.8 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  152.0   20.0 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0  -98.5   29.2 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  125.8   20.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -88.7   42.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  125.9   20.0 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0 -132.3   22.8 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  155.9   20.1 2
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0 -129.4   23.0 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  140.9   28.5 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -85.2   30.3 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  157.8   23.8 2
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -56.4   20.0 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0  -25.1   20.0 2
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -82.7   20.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0   -0.9   20.0 2
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0   94.4   20.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0   -8.6   20.0 2
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0  -69.7   20.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  141.5   20.0 2
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0 -105.9   29.2 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  134.3   20.0 2
assign (resid   82 and name C    ) (resid   83 and name N    )
       (resid   83 and name CA   ) (resid   83 and name C    )    1.0 -149.7   20.0 2
assign (resid   83 and name N    ) (resid   83 and name CA   )
       (resid   83 and name C    ) (resid   84 and name N    )    1.0  162.1   20.0 2
assign (resid   84 and name C    ) (resid   85 and name N    )
       (resid   85 and name CA   ) (resid   85 and name C    )    1.0 -118.2   31.6 2
assign (resid   85 and name N    ) (resid   85 and name CA   )
       (resid   85 and name C    ) (resid   86 and name N    )    1.0  140.3   25.6 2
assign (resid   86 and name C    ) (resid   87 and name N    )
       (resid   87 and name CA   ) (resid   87 and name C    )    1.0 -130.1   34.4 2
assign (resid   87 and name N    ) (resid   87 and name CA   )
       (resid   87 and name C    ) (resid   88 and name N    )    1.0  140.0   34.1 2
assign (resid   88 and name C    ) (resid   89 and name N    )
       (resid   89 and name CA   ) (resid   89 and name C    )    1.0 -106.0   31.5 2
assign (resid   89 and name N    ) (resid   89 and name CA   )
       (resid   89 and name C    ) (resid   90 and name N    )    1.0  109.2   20.0 2
assign (resid   89 and name C    ) (resid   90 and name N    )
       (resid   90 and name CA   ) (resid   90 and name C    )    1.0  -57.8   20.0 2
assign (resid   90 and name N    ) (resid   90 and name CA   )
       (resid   90 and name C    ) (resid   91 and name N    )    1.0  -28.0   20.0 2
assign (resid   90 and name C    ) (resid   91 and name N    )
       (resid   91 and name CA   ) (resid   91 and name C    )    1.0  -65.8   20.0 2
assign (resid   91 and name N    ) (resid   91 and name CA   )
       (resid   91 and name C    ) (resid   92 and name N    )    1.0  -25.1   20.2 2
assign (resid   91 and name C    ) (resid   92 and name N    )
       (resid   92 and name CA   ) (resid   92 and name C    )    1.0  -92.4   46.4 2
assign (resid   92 and name N    ) (resid   92 and name CA   )
       (resid   92 and name C    ) (resid   93 and name N    )    1.0  -14.3   21.8 2
assign (resid   92 and name C    ) (resid   93 and name N    )
       (resid   93 and name CA   ) (resid   93 and name C    )    1.0 -103.3   22.2 2
assign (resid   93 and name N    ) (resid   93 and name CA   )
       (resid   93 and name C    ) (resid   94 and name N    )    1.0    8.1   20.2 2
assign (resid   93 and name C    ) (resid   94 and name N    )
       (resid   94 and name CA   ) (resid   94 and name C    )    1.0 -107.7   37.0 2
assign (resid   94 and name N    ) (resid   94 and name CA   )
       (resid   94 and name C    ) (resid   95 and name N    )    1.0  137.1   27.2 2
assign (resid   94 and name C    ) (resid   95 and name N    )
       (resid   95 and name CA   ) (resid   95 and name C    )    1.0 -125.0   32.0 2
assign (resid   95 and name N    ) (resid   95 and name CA   )
       (resid   95 and name C    ) (resid   96 and name N    )    1.0  136.3   23.0 2
assign (resid   95 and name C    ) (resid   96 and name N    )
       (resid   96 and name CA   ) (resid   96 and name C    )    1.0 -103.7   25.4 2
assign (resid   96 and name N    ) (resid   96 and name CA   )
       (resid   96 and name C    ) (resid   97 and name N    )    1.0  128.3   20.0 2
assign (resid   96 and name C    ) (resid   97 and name N    )
       (resid   97 and name CA   ) (resid   97 and name C    )    1.0 -112.4   21.5 2
assign (resid   97 and name N    ) (resid   97 and name CA   )
       (resid   97 and name C    ) (resid   98 and name N    )    1.0  121.0   20.0 2
assign (resid   97 and name C    ) (resid   98 and name N    )
       (resid   98 and name CA   ) (resid   98 and name C    )    1.0 -100.3   20.7 2
assign (resid   98 and name N    ) (resid   98 and name CA   )
       (resid   98 and name C    ) (resid   99 and name N    )    1.0  121.7   20.0 2
assign (resid   98 and name C    ) (resid   99 and name N    )
       (resid   99 and name CA   ) (resid   99 and name C    )    1.0 -102.0   22.0 2
assign (resid   99 and name N    ) (resid   99 and name CA   )
       (resid   99 and name C    ) (resid  100 and name N    )    1.0  123.0   20.0 2
assign (resid   99 and name C    ) (resid  100 and name N    )
       (resid  100 and name CA   ) (resid  100 and name C    )    1.0  -88.6   20.0 2
assign (resid  100 and name N    ) (resid  100 and name CA   )
       (resid  100 and name C    ) (resid  101 and name N    )    1.0  160.6   20.0 2
assign (resid  100 and name C    ) (resid  101 and name N    )
       (resid  101 and name CA   ) (resid  101 and name C    )    1.0  -61.9   20.0 2
assign (resid  101 and name N    ) (resid  101 and name CA   )
       (resid  101 and name C    ) (resid  102 and name N    )    1.0  -23.9   20.0 2
assign (resid  101 and name C    ) (resid  102 and name N    )
       (resid  102 and name CA   ) (resid  102 and name C    )    1.0  -87.0   20.0 2
assign (resid  102 and name N    ) (resid  102 and name CA   )
       (resid  102 and name C    ) (resid  103 and name N    )    1.0    4.7   20.0 2
assign (resid  102 and name C    ) (resid  103 and name N    )
       (resid  103 and name CA   ) (resid  103 and name C    )    1.0   92.3   20.0 2
assign (resid  103 and name N    ) (resid  103 and name CA   )
       (resid  103 and name C    ) (resid  104 and name N    )    1.0   -0.7   23.5 2
assign (resid  103 and name C    ) (resid  104 and name N    )
       (resid  104 and name CA   ) (resid  104 and name C    )    1.0  -96.2   60.4 2
assign (resid  104 and name N    ) (resid  104 and name CA   )
       (resid  104 and name C    ) (resid  105 and name N    )    1.0  149.0   23.5 2
assign (resid  104 and name C    ) (resid  105 and name N    )
       (resid  105 and name CA   ) (resid  105 and name C    )    1.0 -120.0   34.2 2
assign (resid  105 and name N    ) (resid  105 and name CA   )
       (resid  105 and name C    ) (resid  106 and name N    )    1.0  149.1   20.3 2
assign (resid  105 and name C    ) (resid  106 and name N    )
       (resid  106 and name CA   ) (resid  106 and name C    )    1.0 -130.9   24.9 2
assign (resid  106 and name N    ) (resid  106 and name CA   )
       (resid  106 and name C    ) (resid  107 and name N    )    1.0  150.6   20.0 2
assign (resid  106 and name C    ) (resid  107 and name N    )
       (resid  107 and name CA   ) (resid  107 and name C    )    1.0 -124.0   28.3 2
assign (resid  107 and name N    ) (resid  107 and name CA   )
       (resid  107 and name C    ) (resid  108 and name N    )    1.0  147.7   27.8 2
assign (resid  107 and name C    ) (resid  108 and name N    )
       (resid  108 and name CA   ) (resid  108 and name C    )    1.0 -140.2   22.3 2
assign (resid  108 and name N    ) (resid  108 and name CA   )
       (resid  108 and name C    ) (resid  109 and name N    )    1.0  152.5   23.3 2
assign (resid  108 and name C    ) (resid  109 and name N    )
       (resid  109 and name CA   ) (resid  109 and name C    )    1.0  -67.3   20.0 2
assign (resid  109 and name N    ) (resid  109 and name CA   )
       (resid  109 and name C    ) (resid  110 and name N    )    1.0  140.6   24.5 2
assign (resid  109 and name C    ) (resid  110 and name N    )
       (resid  110 and name CA   ) (resid  110 and name C    )    1.0  -63.7   20.0 2
assign (resid  110 and name N    ) (resid  110 and name CA   )
       (resid  110 and name C    ) (resid  111 and name N    )    1.0  -33.2   20.0 2
assign (resid  110 and name C    ) (resid  111 and name N    )
       (resid  111 and name CA   ) (resid  111 and name C    )    1.0  -67.1   20.0 2
assign (resid  111 and name N    ) (resid  111 and name CA   )
       (resid  111 and name C    ) (resid  112 and name N    )    1.0  -35.2   20.9 2
assign (resid  111 and name C    ) (resid  112 and name N    )
       (resid  112 and name CA   ) (resid  112 and name C    )    1.0 -102.1   20.0 2
assign (resid  112 and name N    ) (resid  112 and name CA   )
       (resid  112 and name C    ) (resid  113 and name N    )    1.0    2.9   20.0 2
assign (resid  112 and name C    ) (resid  113 and name N    )
       (resid  113 and name CA   ) (resid  113 and name C    )    1.0   74.3   20.0 2
assign (resid  113 and name N    ) (resid  113 and name CA   )
       (resid  113 and name C    ) (resid  114 and name N    )    1.0   24.3   20.0 2
assign (resid  113 and name C    ) (resid  114 and name N    )
       (resid  114 and name CA   ) (resid  114 and name C    )    1.0  -97.1   25.7 2
assign (resid  114 and name N    ) (resid  114 and name CA   )
       (resid  114 and name C    ) (resid  115 and name N    )    1.0  127.5   24.3 2
assign (resid  114 and name C    ) (resid  115 and name N    )
       (resid  115 and name CA   ) (resid  115 and name C    )    1.0  -61.6   20.0 2
assign (resid  115 and name N    ) (resid  115 and name CA   )
       (resid  115 and name C    ) (resid  116 and name N    )    1.0  138.5   20.0 2
assign (resid  115 and name C    ) (resid  116 and name N    )
       (resid  116 and name CA   ) (resid  116 and name C    )    1.0  -94.2   47.2 2
assign (resid  116 and name N    ) (resid  116 and name CA   )
       (resid  116 and name C    ) (resid  117 and name N    )    1.0  129.4   20.0 2
assign (resid  116 and name C    ) (resid  117 and name N    )
       (resid  117 and name CA   ) (resid  117 and name C    )    1.0 -101.6   53.6 2
assign (resid  117 and name N    ) (resid  117 and name CA   )
       (resid  117 and name C    ) (resid  118 and name N    )    1.0  142.8   34.5 2
assign (resid  117 and name C    ) (resid  118 and name N    )
       (resid  118 and name CA   ) (resid  118 and name C    )    1.0  -88.6   38.3 2
assign (resid  118 and name N    ) (resid  118 and name CA   )
       (resid  118 and name C    ) (resid  119 and name N    )    1.0  140.2   39.8 2
assign (resid  118 and name C    ) (resid  119 and name N    )
       (resid  119 and name CA   ) (resid  119 and name C    )    1.0  -54.8   20.0 2
assign (resid  119 and name N    ) (resid  119 and name CA   )
       (resid  119 and name C    ) (resid  120 and name N    )    1.0  132.5   20.0 2
assign (resid  123 and name C    ) (resid  124 and name N    )
       (resid  124 and name CA   ) (resid  124 and name C    )    1.0  -67.0   20.0 2
assign (resid  124 and name N    ) (resid  124 and name CA   )
       (resid  124 and name C    ) (resid  125 and name N    )    1.0  150.9   20.0 2
assign (resid  124 and name C    ) (resid  125 and name N    )
       (resid  125 and name CA   ) (resid  125 and name C    )    1.0  -67.9   21.3 2
assign (resid  125 and name N    ) (resid  125 and name CA   )
       (resid  125 and name C    ) (resid  126 and name N    )    1.0  138.2   24.9 2
assign (resid  126 and name C    ) (resid  127 and name N    )
       (resid  127 and name CA   ) (resid  127 and name C    )    1.0  -85.5   54.9 2
assign (resid  127 and name N    ) (resid  127 and name CA   )
       (resid  127 and name C    ) (resid  128 and name N    )    1.0  128.3   42.3 2
assign (resid  132 and name C    ) (resid  133 and name N    )
       (resid  133 and name CA   ) (resid  133 and name C    )    1.0  -66.1   20.0 2
assign (resid  133 and name N    ) (resid  133 and name CA   )
       (resid  133 and name C    ) (resid  134 and name N    )    1.0  150.1   20.0 2
assign (resid  133 and name C    ) (resid  134 and name N    )
       (resid  134 and name CA   ) (resid  134 and name C    )    1.0  -68.7   20.0 2
assign (resid  134 and name N    ) (resid  134 and name CA   )
       (resid  134 and name C    ) (resid  135 and name N    )    1.0  135.1   22.8 2
assign (resid  134 and name C    ) (resid  135 and name N    )
       (resid  135 and name CA   ) (resid  135 and name C    )    1.0  -97.6   32.4 2
assign (resid  135 and name N    ) (resid  135 and name CA   )
       (resid  135 and name C    ) (resid  136 and name N    )    1.0  130.5   20.4 2
assign (resid  135 and name C    ) (resid  136 and name N    )
       (resid  136 and name CA   ) (resid  136 and name C    )    1.0 -116.8   23.0 2
assign (resid  136 and name N    ) (resid  136 and name CA   )
       (resid  136 and name C    ) (resid  137 and name N    )    1.0  133.6   20.0 2
assign (resid  136 and name C    ) (resid  137 and name N    )
       (resid  137 and name CA   ) (resid  137 and name C    )    1.0 -115.2   24.7 2
assign (resid  137 and name N    ) (resid  137 and name CA   )
       (resid  137 and name C    ) (resid  138 and name N    )    1.0  119.0   26.1 2
assign (resid  137 and name C    ) (resid  138 and name N    )
       (resid  138 and name CA   ) (resid  138 and name C    )    1.0  -73.5   20.0 2
assign (resid  138 and name N    ) (resid  138 and name CA   )
       (resid  138 and name C    ) (resid  139 and name N    )    1.0  138.2   25.5 2
assign (resid  138 and name C    ) (resid  139 and name N    )
       (resid  139 and name CA   ) (resid  139 and name C    )    1.0 -100.2   21.4 2
assign (resid  139 and name N    ) (resid  139 and name CA   )
       (resid  139 and name C    ) (resid  140 and name N    )    1.0  127.6   23.1 2
assign (resid  139 and name C    ) (resid  140 and name N    )
       (resid  140 and name CA   ) (resid  140 and name C    )    1.0  -60.0   20.0 2
assign (resid  140 and name N    ) (resid  140 and name CA   )
       (resid  140 and name C    ) (resid  141 and name N    )    1.0  141.9   20.0 2

! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid   28 and name C    ) (resid   29 and name N   )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -90.8   78.4 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  136.6   57.7 2
assign (resid   45 and name C    ) (resid   46 and name N   )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -91.9   80.0 2 !30 to 80
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0    6.0   30.0 2
assign (resid   47 and name C    ) (resid   48 and name N   )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0  -83.9   54.3 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  137.1   59.3 2
assign (resid   83 and name C    ) (resid   84 and name N   )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0 -109.3   43.4 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  139.9   49.3 2
assign (resid   87 and name C    ) (resid   88 and name N   )
       (resid   88 and name CA   ) (resid   88 and name C    )    1.0  -76.8   31.6 2
assign (resid   88 and name N    ) (resid   88 and name CA   )
       (resid   88 and name C    ) (resid   89 and name N    )    1.0  125.7   30.9 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  13           HT1      GLY  13  79.850  -0.900  -5.162
    2    H2   GLY  13           HT2      GLY  13  79.466   0.339  -4.063
    3    H3   GLY  13           HT3      GLY  13  79.765  -1.235  -3.501
    4    HA2  GLY  13           HA2      GLY  13  81.586   0.709  -3.487
    5    HA3  GLY  13           HA1      GLY  13  81.982  -1.007  -3.566
    6    H    GLN  14           HN       GLN  14  82.063   1.996  -5.224
    7    HA   GLN  14           HA       GLN  14  82.500   0.882  -7.860
    8    HB2  GLN  14           HB2      GLN  14  81.501   3.092  -7.666
    9    HB3  GLN  14           HB1      GLN  14  82.903   3.680  -6.773
   10    HG2  GLN  14           HG2      GLN  14  83.270   2.466  -9.511
   11    HG3  GLN  14           HG1      GLN  14  82.735   4.137  -9.358
   12   HE21  GLN  14          HE21      GLN  14  85.499   2.108  -9.347
   13   HE22  GLN  14          HE22      GLN  14  86.617   3.254  -8.786
   14    H    VAL  15           HN       VAL  15  84.339  -0.004  -8.508
   15    HA   VAL  15           HA       VAL  15  86.900   1.027  -7.463
   16    HB   VAL  15           HB       VAL  15  86.492  -0.897  -6.109
   17   HG11  VAL  15          HG11      VAL  15  86.001  -3.115  -7.185
   18   HG12  VAL  15          HG12      VAL  15  85.798  -2.269  -8.719
   19   HG13  VAL  15          HG13      VAL  15  84.707  -1.931  -7.376
   20   HG21  VAL  15          HG21      VAL  15  88.220  -1.975  -8.343
   21   HG22  VAL  15          HG22      VAL  15  88.408  -2.201  -6.604
   22   HG23  VAL  15          HG23      VAL  15  88.764  -0.635  -7.333
   23    H    ARG  16           HN       ARG  16  88.639   0.847  -8.838
   24    HA   ARG  16           HA       ARG  16  88.190  -0.286 -11.532
   25    HB2  ARG  16           HB2      ARG  16  89.084   2.536 -10.921
   26    HB3  ARG  16           HB1      ARG  16  89.283   1.769 -12.497
   27    HG2  ARG  16           HG2      ARG  16  86.825   1.366 -12.576
   28    HG3  ARG  16           HG1      ARG  16  86.659   2.233 -11.049
   29    HD2  ARG  16           HD2      ARG  16  87.913   3.423 -13.533
   30    HD3  ARG  16           HD1      ARG  16  86.225   3.656 -13.088
   31    HE   ARG  16           HE       ARG  16  88.558   4.831 -11.777
   32   HH11  ARG  16          HH11      ARG  16  88.079   6.417 -10.225
   33   HH12  ARG  16          HH12      ARG  16  86.445   6.637  -9.696
   34   HH21  ARG  16          HH21      ARG  16  85.166   4.130 -11.717
   35   HH22  ARG  16          HH22      ARG  16  84.799   5.343 -10.538
   36    H    GLN  17           HN       GLN  17  90.077  -0.876 -12.640
   37    HA   GLN  17           HA       GLN  17  92.507  -1.097 -10.952
   38    HB2  GLN  17           HB2      GLN  17  91.579  -2.795 -13.281
   39    HB3  GLN  17           HB1      GLN  17  93.074  -3.026 -12.380
   40    HG2  GLN  17           HG2      GLN  17  91.759  -3.353 -10.304
   41    HG3  GLN  17           HG1      GLN  17  90.275  -3.180 -11.240
   42   HE21  GLN  17          HE21      GLN  17  92.310  -4.651 -13.361
   43   HE22  GLN  17          HE22      GLN  17  91.973  -6.278 -13.014
   44    H    ARG  18           HN       ARG  18  94.128   0.269 -11.529
   45    HA   ARG  18           HA       ARG  18  94.690   0.659 -14.379
   46    HB2  ARG  18           HB2      ARG  18  94.141   2.991 -12.526
   47    HB3  ARG  18           HB1      ARG  18  94.703   3.108 -14.189
   48    HG2  ARG  18           HG2      ARG  18  92.619   1.898 -14.906
   49    HG3  ARG  18           HG1      ARG  18  92.050   2.003 -13.244
   50    HD2  ARG  18           HD2      ARG  18  92.249   4.468 -13.339
   51    HD3  ARG  18           HD1      ARG  18  92.744   4.346 -15.027
   52    HE   ARG  18           HE       ARG  18  90.054   3.971 -13.973
   53   HH11  ARG  18          HH11      ARG  18  88.439   3.751 -15.553
   54   HH12  ARG  18          HH12      ARG  18  88.881   3.486 -17.207
   55   HH21  ARG  18          HH21      ARG  18  92.292   3.517 -16.573
   56   HH22  ARG  18          HH22      ARG  18  91.065   3.351 -17.785
   57    H    TYR  19           HN       TYR  19  96.761   1.621 -14.787
   58    HA   TYR  19           HA       TYR  19  98.722   1.100 -12.646
   59    HB2  TYR  19           HB2      TYR  19  98.983   1.601 -15.623
   60    HB3  TYR  19           HB1      TYR  19 100.367   1.495 -14.539
   61    HD1  TYR  19           HD1      TYR  19  97.358  -0.401 -15.695
   62    HD2  TYR  19           HD2      TYR  19 101.270  -0.593 -13.930
   63    HE1  TYR  19           HE1      TYR  19  97.329  -2.873 -15.888
   64    HE2  TYR  19           HE2      TYR  19 101.236  -3.065 -14.119
   65    HH   TYR  19           HH       TYR  19  98.410  -4.759 -15.498
   66    H    LEU  20           HN       LEU  20  99.842   2.768 -11.661
   67    HA   LEU  20           HA       LEU  20  99.080   5.502 -12.401
   68    HB2  LEU  20           HB2      LEU  20  99.861   4.175  -9.959
   69    HB3  LEU  20           HB1      LEU  20 100.988   5.490 -10.253
   70    HG   LEU  20           HG       LEU  20  99.010   7.019 -10.581
   71   HD11  LEU  20          HD11      LEU  20  97.202   5.587 -11.110
   72   HD12  LEU  20          HD12      LEU  20  96.866   6.087  -9.457
   73   HD13  LEU  20          HD13      LEU  20  97.560   4.498  -9.772
   74   HD21  LEU  20          HD21      LEU  20  98.470   7.116  -8.137
   75   HD22  LEU  20          HD22      LEU  20 100.199   6.986  -8.455
   76   HD23  LEU  20          HD23      LEU  20  99.288   5.568  -7.931
   77    H    TYR  21           HN       TYR  21 100.253   6.750 -13.646
   78    HA   TYR  21           HA       TYR  21 103.153   6.212 -13.956
   79    HB2  TYR  21           HB2      TYR  21 102.267   5.267 -15.927
   80    HB3  TYR  21           HB1      TYR  21 101.049   6.528 -16.097
   81    HD1  TYR  21           HD1      TYR  21 104.774   6.510 -15.615
   82    HD2  TYR  21           HD2      TYR  21 101.458   7.886 -17.963
   83    HE1  TYR  21           HE1      TYR  21 106.325   7.819 -17.035
   84    HE2  TYR  21           HE2      TYR  21 103.008   9.183 -19.396
   85    HH   TYR  21           HH       TYR  21 106.516   9.225 -18.734
   86    H    THR  22           HN       THR  22 104.312   7.869 -13.496
   87    HA   THR  22           HA       THR  22 103.281  10.608 -13.959
   88    HB   THR  22           HB       THR  22 104.463   9.365 -11.508
   89    HG1  THR  22           HG1      THR  22 102.886  10.633 -10.567
   90   HG21  THR  22          HG21      THR  22 104.870  12.202 -12.417
   91   HG22  THR  22          HG22      THR  22 106.084  11.057 -11.842
   92   HG23  THR  22          HG23      THR  22 104.915  11.745 -10.715
   93    H    SER  23           HN       SER  23 104.609  11.819 -15.175
   94    HA   SER  23           HA       SER  23 107.110  10.754 -16.114
   95    HB2  SER  23           HB2      SER  23 106.099  13.579 -16.467
   96    HB3  SER  23           HB1      SER  23 107.236  12.704 -17.488
   97    HG   SER  23           HG       SER  23 105.026  12.788 -18.271
   98    H    GLY  24           HN       GLY  24 109.205  11.640 -15.752
   99    HA2  GLY  24           HA2      GLY  24 109.519  13.631 -13.621
  100    HA3  GLY  24           HA1      GLY  24 110.153  12.020 -13.302
  101    HA   PRO  25           HA       PRO  25 113.490  14.619 -15.276
  102    HB2  PRO  25           HB2      PRO  25 115.117  13.043 -13.329
  103    HB3  PRO  25           HB1      PRO  25 115.125  14.790 -13.645
  104    HG2  PRO  25           HG2      PRO  25 114.035  13.787 -11.422
  105    HG3  PRO  25           HG1      PRO  25 113.318  15.181 -12.255
  106    HD2  PRO  25           HD2      PRO  25 112.425  12.309 -12.279
  107    HD3  PRO  25           HD1      PRO  25 111.446  13.794 -12.233
  108    H    HIS  26           HN       HIS  26 115.000  13.931 -16.817
  109    HA   HIS  26           HA       HIS  26 114.560  11.564 -18.167
  110    HB2  HIS  26           HB2      HIS  26 117.082  13.230 -18.045
  111    HB3  HIS  26           HB1      HIS  26 116.791  11.952 -19.225
  112    HD2  HIS  26           HD2      HIS  26 114.589  12.523 -21.047
  113    HE1  HIS  26           HE1      HIS  26 114.534  16.654 -20.174
  114    HE2  HIS  26           HE2      HIS  26 113.682  14.864 -21.762
  115    H    GLY  27           HN       GLY  27 115.221   9.518 -18.007
  116    HA2  GLY  27           HA2      GLY  27 117.508   8.768 -16.351
  117    HA3  GLY  27           HA1      GLY  27 115.935   8.180 -15.815
  118    H    LEU  28           HN       LEU  28 116.568   6.000 -16.194
  119    HA   LEU  28           HA       LEU  28 117.564   5.035 -18.656
  120    HB2  LEU  28           HB2      LEU  28 115.961   3.658 -16.487
  121    HB3  LEU  28           HB1      LEU  28 116.639   2.822 -17.879
  122    HG   LEU  28           HG       LEU  28 118.905   3.799 -17.202
  123   HD11  LEU  28          HD11      LEU  28 118.371   5.528 -15.683
  124   HD12  LEU  28          HD12      LEU  28 118.961   4.235 -14.645
  125   HD13  LEU  28          HD13      LEU  28 117.228   4.523 -14.795
  126   HD21  LEU  28          HD21      LEU  28 119.269   2.037 -15.522
  127   HD22  LEU  28          HD22      LEU  28 118.249   1.439 -16.832
  128   HD23  LEU  28          HD23      LEU  28 117.526   1.889 -15.288
  129    H    SER  29           HN       SER  29 114.294   5.420 -17.384
  130    HA   SER  29           HA       SER  29 113.166   5.693 -19.994
  131    HB2  SER  29           HB2      SER  29 113.605   3.149 -19.615
  132    HB3  SER  29           HB1      SER  29 112.213   3.242 -18.542
  133    HG   SER  29           HG       SER  29 112.129   4.334 -21.141
  134    H    SER  30           HN       SER  30 110.546   4.959 -19.440
  135    HA   SER  30           HA       SER  30 109.588   7.154 -17.984
  136    HB2  SER  30           HB2      SER  30 107.402   6.097 -18.170
  137    HB3  SER  30           HB1      SER  30 108.278   5.923 -19.687
  138    HG   SER  30           HG       SER  30 107.794   4.018 -17.657
  139    H    CYS  31           HN       CYS  31 108.319   7.159 -15.994
  140    HA   CYS  31           HA       CYS  31 109.320   5.182 -14.018
  141    HB2  CYS  31           HB2      CYS  31 109.239   8.120 -13.999
  142    HB3  CYS  31           HB1      CYS  31 108.539   7.423 -12.546
  143    H    HIS  32           HN       HIS  32 107.807   3.843 -13.366
  144    HA   HIS  32           HA       HIS  32 104.989   4.774 -13.170
  145    HB2  HIS  32           HB2      HIS  32 106.106   2.003 -13.685
  146    HB3  HIS  32           HB1      HIS  32 104.399   2.366 -13.424
  147    HD2  HIS  32           HD2      HIS  32 107.112   2.775 -16.220
  148    HE1  HIS  32           HE1      HIS  32 103.449   4.217 -17.749
  149    HE2  HIS  32           HE2      HIS  32 105.852   3.637 -18.340
  150    H    LEU  33           HN       LEU  33 104.032   4.632 -11.179
  151    HA   LEU  33           HA       LEU  33 105.558   4.360  -8.864
  152    HB2  LEU  33           HB2      LEU  33 103.084   5.230  -9.283
  153    HB3  LEU  33           HB1      LEU  33 102.648   3.598  -8.794
  154    HG   LEU  33           HG       LEU  33 104.315   5.570  -7.196
  155   HD11  LEU  33          HD11      LEU  33 102.336   5.338  -5.610
  156   HD12  LEU  33          HD12      LEU  33 101.484   4.539  -6.930
  157   HD13  LEU  33          HD13      LEU  33 102.016   6.211  -7.109
  158   HD21  LEU  33          HD21      LEU  33 103.705   2.653  -6.814
  159   HD22  LEU  33          HD22      LEU  33 103.822   3.690  -5.393
  160   HD23  LEU  33          HD23      LEU  33 105.193   3.545  -6.488
  161    H    GLU  34           HN       GLU  34 106.224   2.664  -7.660
  162    HA   GLU  34           HA       GLU  34 105.242  -0.054  -8.333
  163    HB2  GLU  34           HB2      GLU  34 107.400   0.455  -9.456
  164    HB3  GLU  34           HB1      GLU  34 108.120   0.765  -7.881
  165    HG2  GLU  34           HG2      GLU  34 107.580  -1.548  -7.184
  166    HG3  GLU  34           HG1      GLU  34 106.897  -1.857  -8.780
  167    H    ILE  35           HN       ILE  35 104.660  -1.196  -6.578
  168    HA   ILE  35           HA       ILE  35 105.613  -0.285  -3.910
  169    HB   ILE  35           HB       ILE  35 103.140  -1.918  -4.568
  170   HG12  ILE  35          HG12      ILE  35 103.509   1.004  -3.831
  171   HG13  ILE  35          HG11      ILE  35 102.897   0.380  -5.362
  172   HG21  ILE  35          HG21      ILE  35 102.580  -1.657  -2.231
  173   HG22  ILE  35          HG22      ILE  35 103.936  -0.561  -1.971
  174   HG23  ILE  35          HG23      ILE  35 104.227  -2.268  -2.289
  175   HD11  ILE  35          HD11      ILE  35 100.967   1.020  -4.090
  176   HD12  ILE  35          HD12      ILE  35 101.583   0.226  -2.641
  177   HD13  ILE  35          HD13      ILE  35 101.038  -0.741  -4.012
  178    H    ARG  36           HN       ARG  36 106.878  -1.589  -2.783
  179    HA   ARG  36           HA       ARG  36 107.521  -4.248  -3.863
  180    HB2  ARG  36           HB2      ARG  36 108.829  -2.300  -2.014
  181    HB3  ARG  36           HB1      ARG  36 109.297  -3.993  -1.914
  182    HG2  ARG  36           HG2      ARG  36 110.803  -2.857  -3.452
  183    HG3  ARG  36           HG1      ARG  36 109.772  -3.948  -4.377
  184    HD2  ARG  36           HD2      ARG  36 108.330  -2.106  -5.036
  185    HD3  ARG  36           HD1      ARG  36 109.214  -0.993  -3.997
  186    HE   ARG  36           HE       ARG  36 110.011  -1.899  -6.619
  187   HH11  ARG  36          HH11      ARG  36 111.948  -1.010  -7.407
  188   HH12  ARG  36          HH12      ARG  36 113.041  -0.224  -6.316
  189   HH21  ARG  36          HH21      ARG  36 111.057  -0.764  -3.523
  190   HH22  ARG  36          HH22      ARG  36 112.534  -0.082  -4.115
  191    H    GLU  37           HN       GLU  37 107.836  -6.024  -2.357
  192    HA   GLU  37           HA       GLU  37 105.531  -6.416  -0.696
  193    HB2  GLU  37           HB2      GLU  37 107.973  -8.194  -0.690
  194    HB3  GLU  37           HB1      GLU  37 106.287  -8.633  -0.416
  195    HG2  GLU  37           HG2      GLU  37 105.807  -8.041  -2.797
  196    HG3  GLU  37           HG1      GLU  37 107.528  -7.775  -3.042
  197    H    ASP  38           HN       ASP  38 108.774  -5.338  -0.291
  198    HA   ASP  38           HA       ASP  38 108.976  -5.814   2.530
  199    HB2  ASP  38           HB2      ASP  38 110.509  -4.041   0.619
  200    HB3  ASP  38           HB1      ASP  38 110.903  -4.188   2.328
  201    H    GLY  39           HN       GLY  39 107.174  -3.721   0.666
  202    HA2  GLY  39           HA2      GLY  39 105.587  -2.203   1.501
  203    HA3  GLY  39           HA1      GLY  39 106.499  -2.085   3.001
  204    H    THR  40           HN       THR  40 108.600  -1.864   0.361
  205    HA   THR  40           HA       THR  40 108.924   1.004   0.835
  206    HB   THR  40           HB       THR  40 110.810   0.668  -0.902
  207    HG1  THR  40           HG1      THR  40 111.406  -1.704  -0.686
  208   HG21  THR  40          HG21      THR  40 111.427   0.929   1.366
  209   HG22  THR  40          HG22      THR  40 112.202  -0.575   0.866
  210   HG23  THR  40          HG23      THR  40 110.720  -0.622   1.822
  211    H    VAL  41           HN       VAL  41 109.051   2.529  -0.966
  212    HA   VAL  41           HA       VAL  41 107.302   1.807  -3.249
  213    HB   VAL  41           HB       VAL  41 107.111   4.235  -1.456
  214   HG11  VAL  41          HG11      VAL  41 105.212   4.822  -3.103
  215   HG12  VAL  41          HG12      VAL  41 106.002   3.706  -4.216
  216   HG13  VAL  41          HG13      VAL  41 106.863   5.133  -3.638
  217   HG21  VAL  41          HG21      VAL  41 105.064   2.163  -2.306
  218   HG22  VAL  41          HG22      VAL  41 104.832   3.447  -1.119
  219   HG23  VAL  41          HG23      VAL  41 105.945   2.121  -0.779
  220    H    GLY  42           HN       GLY  42 107.805   2.705  -5.190
  221    HA2  GLY  42           HA2      GLY  42 109.582   4.903  -5.550
  222    HA3  GLY  42           HA1      GLY  42 110.423   3.375  -5.804
  223    H    CYS  43           HN       CYS  43 110.479   4.673  -8.014
  224    HA   CYS  43           HA       CYS  43 108.042   4.202  -9.578
  225    HB2  CYS  43           HB2      CYS  43 108.708   6.052 -10.704
  226    HB3  CYS  43           HB1      CYS  43 110.089   6.173  -9.627
  227    H    ALA  44           HN       ALA  44 108.270   3.210 -11.750
  228    HA   ALA  44           HA       ALA  44 110.378   1.139 -11.917
  229    HB1  ALA  44           HB1      ALA  44 108.335  -0.265 -12.940
  230    HB2  ALA  44           HB2      ALA  44 107.409   0.764 -11.847
  231    HB3  ALA  44           HB3      ALA  44 108.684  -0.274 -11.212
  232    H    ALA  45           HN       ALA  45 111.039   0.636 -13.954
  233    HA   ALA  45           HA       ALA  45 109.982   2.317 -16.166
  234    HB1  ALA  45           HB1      ALA  45 112.494   1.551 -16.978
  235    HB2  ALA  45           HB2      ALA  45 112.713   1.637 -15.231
  236    HB3  ALA  45           HB3      ALA  45 112.153   3.055 -16.116
  237    H    ASP  46           HN       ASP  46 110.195  -0.815 -14.958
  238    HA   ASP  46           HA       ASP  46 110.207  -2.100 -17.605
  239    HB2  ASP  46           HB2      ASP  46 111.637  -3.064 -15.852
  240    HB3  ASP  46           HB1      ASP  46 110.220  -3.310 -14.832
  241    H    GLN  47           HN       GLN  47 107.989  -0.666 -15.702
  242    HA   GLN  47           HA       GLN  47 105.721  -0.964 -15.283
  243    HB2  GLN  47           HB2      GLN  47 106.079  -1.749 -18.173
  244    HB3  GLN  47           HB1      GLN  47 104.498  -1.524 -17.428
  245    HG2  GLN  47           HG2      GLN  47 105.051   0.780 -16.858
  246    HG3  GLN  47           HG1      GLN  47 106.685   0.572 -17.484
  247   HE21  GLN  47          HE21      GLN  47 104.017   2.135 -18.350
  248   HE22  GLN  47          HE22      GLN  47 104.012   1.885 -20.029
  249    H    SER  48           HN       SER  48 105.649  -2.638 -13.748
  250    HA   SER  48           HA       SER  48 104.955  -5.301 -14.850
  251    HB2  SER  48           HB2      SER  48 107.161  -4.693 -13.238
  252    HB3  SER  48           HB1      SER  48 106.009  -5.429 -12.134
  253    HG   SER  48           HG       SER  48 106.946  -7.147 -13.015
  254    HA   PRO  49           HA       PRO  49 101.222  -5.454 -12.526
  255    HB2  PRO  49           HB2      PRO  49 102.254  -7.569 -10.677
  256    HB3  PRO  49           HB1      PRO  49 100.813  -7.582 -11.712
  257    HG2  PRO  49           HG2      PRO  49 102.975  -8.983 -12.365
  258    HG3  PRO  49           HG1      PRO  49 102.016  -8.148 -13.604
  259    HD2  PRO  49           HD2      PRO  49 104.662  -7.357 -12.420
  260    HD3  PRO  49           HD1      PRO  49 104.078  -7.206 -14.092
  261    H    GLU  50           HN       GLU  50 104.096  -5.446 -10.458
  262    HA   GLU  50           HA       GLU  50 102.921  -4.720  -8.034
  263    HB2  GLU  50           HB2      GLU  50 105.317  -3.347  -7.928
  264    HB3  GLU  50           HB1      GLU  50 105.137  -5.056  -7.572
  265    HG2  GLU  50           HG2      GLU  50 105.739  -5.662  -9.830
  266    HG3  GLU  50           HG1      GLU  50 105.739  -3.969 -10.331
  267    H    SER  51           HN       SER  51 103.359  -2.872 -10.924
  268    HA   SER  51           HA       SER  51 102.906  -0.317  -9.586
  269    HB2  SER  51           HB2      SER  51 103.400  -1.096 -12.463
  270    HB3  SER  51           HB1      SER  51 103.037   0.550 -11.961
  271    HG   SER  51           HG       SER  51 104.857  -0.098 -10.334
  272    H    LEU  52           HN       LEU  52 100.938  -2.749 -10.184
  273    HA   LEU  52           HA       LEU  52  98.766  -1.215 -11.460
  274    HB2  LEU  52           HB2      LEU  52  99.504  -3.699 -11.987
  275    HB3  LEU  52           HB1      LEU  52  98.548  -4.081 -10.558
  276    HG   LEU  52           HG       LEU  52  97.559  -2.563 -12.984
  277   HD11  LEU  52          HD11      LEU  52  96.705  -5.291 -12.011
  278   HD12  LEU  52          HD12      LEU  52  97.987  -5.072 -13.202
  279   HD13  LEU  52          HD13      LEU  52  96.347  -4.531 -13.559
  280   HD21  LEU  52          HD21      LEU  52  96.272  -3.333 -10.367
  281   HD22  LEU  52          HD22      LEU  52  95.319  -3.010 -11.815
  282   HD23  LEU  52          HD23      LEU  52  96.336  -1.747 -11.134
  283    H    LEU  53           HN       LEU  53  97.513  -0.075 -10.133
  284    HA   LEU  53           HA       LEU  53  97.017  -1.092  -7.376
  285    HB2  LEU  53           HB2      LEU  53  96.954   1.784  -8.301
  286    HB3  LEU  53           HB1      LEU  53  96.872   1.183  -6.646
  287    HG   LEU  53           HG       LEU  53  99.246   0.831  -8.501
  288   HD11  LEU  53          HD11      LEU  53 100.335   2.501  -7.061
  289   HD12  LEU  53          HD12      LEU  53  98.851   2.673  -6.124
  290   HD13  LEU  53          HD13      LEU  53  98.893   3.180  -7.814
  291   HD21  LEU  53          HD21      LEU  53 100.322   0.273  -6.206
  292   HD22  LEU  53          HD22      LEU  53  99.305  -0.955  -6.951
  293   HD23  LEU  53          HD23      LEU  53  98.666   0.041  -5.641
  294    H    GLN  54           HN       GLN  54  94.941  -1.493  -6.865
  295    HA   GLN  54           HA       GLN  54  92.874  -0.567  -8.779
  296    HB2  GLN  54           HB2      GLN  54  91.392  -2.237  -7.842
  297    HB3  GLN  54           HB1      GLN  54  92.909  -3.000  -8.297
  298    HG2  GLN  54           HG2      GLN  54  93.648  -2.801  -5.915
  299    HG3  GLN  54           HG1      GLN  54  92.038  -2.222  -5.505
  300   HE21  GLN  54          HE21      GLN  54  90.956  -4.116  -7.710
  301   HE22  GLN  54          HE22      GLN  54  90.938  -5.633  -6.947
  302    H    LEU  55           HN       LEU  55  91.868   1.219  -8.336
  303    HA   LEU  55           HA       LEU  55  91.948   2.293  -5.641
  304    HB2  LEU  55           HB2      LEU  55  91.164   4.353  -6.603
  305    HB3  LEU  55           HB1      LEU  55  92.494   3.718  -7.565
  306    HG   LEU  55           HG       LEU  55  90.354   2.538  -8.831
  307   HD11  LEU  55          HD11      LEU  55  89.351   5.337  -8.333
  308   HD12  LEU  55          HD12      LEU  55  88.911   4.039  -7.228
  309   HD13  LEU  55          HD13      LEU  55  88.477   3.927  -8.933
  310   HD21  LEU  55          HD21      LEU  55  91.686   5.210  -9.317
  311   HD22  LEU  55          HD22      LEU  55  90.565   4.490 -10.473
  312   HD23  LEU  55          HD23      LEU  55  92.065   3.658 -10.062
  313    H    LYS  56           HN       LYS  56  90.389   2.126  -4.211
  314    HA   LYS  56           HA       LYS  56  87.673   1.341  -5.118
  315    HB2  LYS  56           HB2      LYS  56  89.031   0.973  -2.429
  316    HB3  LYS  56           HB1      LYS  56  87.385   0.472  -2.822
  317    HG2  LYS  56           HG2      LYS  56  88.231  -1.032  -4.564
  318    HG3  LYS  56           HG1      LYS  56  89.876  -0.493  -4.252
  319    HD2  LYS  56           HD2      LYS  56  89.703  -2.519  -3.047
  320    HD3  LYS  56           HD1      LYS  56  89.494  -1.267  -1.825
  321    HE2  LYS  56           HE2      LYS  56  87.129  -1.591  -1.751
  322    HE3  LYS  56           HE1      LYS  56  87.139  -2.551  -3.230
  323    HZ1  LYS  56           HZ1      LYS  56  88.619  -3.391  -0.813
  324    HZ2  LYS  56           HZ2      LYS  56  88.169  -4.329  -2.156
  325    HZ3  LYS  56           HZ3      LYS  56  86.991  -3.799  -1.051
  326    H    ALA  57           HN       ALA  57  85.973   2.616  -4.627
  327    HA   ALA  57           HA       ALA  57  86.553   5.260  -3.520
  328    HB1  ALA  57           HB1      ALA  57  84.502   5.927  -4.475
  329    HB2  ALA  57           HB2      ALA  57  83.891   4.272  -4.526
  330    HB3  ALA  57           HB3      ALA  57  85.175   4.770  -5.626
  331    H    LEU  58           HN       LEU  58  86.526   5.433  -1.361
  332    HA   LEU  58           HA       LEU  58  84.855   3.746   0.299
  333    HB2  LEU  58           HB2      LEU  58  86.449   6.195   1.089
  334    HB3  LEU  58           HB1      LEU  58  85.826   4.948   2.166
  335    HG   LEU  58           HG       LEU  58  87.919   4.558   0.007
  336   HD11  LEU  58          HD11      LEU  58  89.058   5.603   1.758
  337   HD12  LEU  58          HD12      LEU  58  89.227   3.908   2.210
  338   HD13  LEU  58          HD13      LEU  58  88.012   4.911   2.997
  339   HD21  LEU  58          HD21      LEU  58  88.100   2.282   1.289
  340   HD22  LEU  58          HD22      LEU  58  86.806   2.488   0.111
  341   HD23  LEU  58          HD23      LEU  58  86.462   2.648   1.834
  342    H    LYS  59           HN       LYS  59  85.129   7.254  -0.161
  343    HA   LYS  59           HA       LYS  59  82.213   7.535   0.201
  344    HB2  LYS  59           HB2      LYS  59  84.209   9.481   1.368
  345    HB3  LYS  59           HB1      LYS  59  82.489   9.366   1.697
  346    HG2  LYS  59           HG2      LYS  59  82.759   7.317   2.915
  347    HG3  LYS  59           HG1      LYS  59  84.438   7.157   2.403
  348    HD2  LYS  59           HD2      LYS  59  83.637   9.653   3.881
  349    HD3  LYS  59           HD1      LYS  59  83.842   8.164   4.800
  350    HE2  LYS  59           HE2      LYS  59  85.965   9.063   2.856
  351    HE3  LYS  59           HE1      LYS  59  85.906   9.716   4.493
  352    HZ1  LYS  59           HZ1      LYS  59  86.971   7.286   3.676
  353    HZ2  LYS  59           HZ2      LYS  59  85.580   6.921   4.580
  354    HZ3  LYS  59           HZ3      LYS  59  86.815   7.869   5.262
  355    HA   PRO  60           HA       PRO  60  82.455  10.065  -3.445
  356    HB2  PRO  60           HB2      PRO  60  81.091  12.315  -2.025
  357    HB3  PRO  60           HB1      PRO  60  80.634  11.491  -3.528
  358    HG2  PRO  60           HG2      PRO  60  79.329  11.077  -1.216
  359    HG3  PRO  60           HG1      PRO  60  79.538   9.801  -2.427
  360    HD2  PRO  60           HD2      PRO  60  80.915  10.141   0.201
  361    HD3  PRO  60           HD1      PRO  60  80.525   8.655  -0.693
  362    H    GLY  61           HN       GLY  61  84.367  10.929  -4.031
  363    HA2  GLY  61           HA2      GLY  61  85.885  12.723  -4.239
  364    HA3  GLY  61           HA1      GLY  61  85.346  13.353  -2.689
  365    H    VAL  62           HN       VAL  62  85.660  10.372  -1.731
  366    HA   VAL  62           HA       VAL  62  88.603  10.517  -1.285
  367    HB   VAL  62           HB       VAL  62  86.398   9.568   0.564
  368   HG11  VAL  62          HG11      VAL  62  88.337   9.195   2.169
  369   HG12  VAL  62          HG12      VAL  62  89.415   9.345   0.782
  370   HG13  VAL  62          HG13      VAL  62  88.235   8.035   0.845
  371   HG21  VAL  62          HG21      VAL  62  88.506  11.677   1.050
  372   HG22  VAL  62          HG22      VAL  62  87.016  11.393   1.953
  373   HG23  VAL  62          HG23      VAL  62  86.947  12.065   0.324
  374    H    ILE  63           HN       ILE  63  89.760   8.779  -1.877
  375    HA   ILE  63           HA       ILE  63  88.361   6.212  -2.338
  376    HB   ILE  63           HB       ILE  63  89.512   5.891  -4.419
  377   HG12  ILE  63          HG12      ILE  63  90.868   7.961  -5.296
  378   HG13  ILE  63          HG11      ILE  63  90.975   8.415  -3.602
  379   HG21  ILE  63          HG21      ILE  63  88.580   7.789  -5.728
  380   HG22  ILE  63          HG22      ILE  63  88.329   8.672  -4.223
  381   HG23  ILE  63          HG23      ILE  63  87.442   7.180  -4.527
  382   HD11  ILE  63          HD11      ILE  63  91.721   5.594  -4.155
  383   HD12  ILE  63          HD12      ILE  63  92.524   6.799  -3.152
  384   HD13  ILE  63          HD13      ILE  63  92.770   6.799  -4.893
  385    H    GLN  64           HN       GLN  64  89.898   4.404  -2.575
  386    HA   GLN  64           HA       GLN  64  92.331   4.716  -0.896
  387    HB2  GLN  64           HB2      GLN  64  90.439   3.599   0.301
  388    HB3  GLN  64           HB1      GLN  64  90.437   2.351  -0.939
  389    HG2  GLN  64           HG2      GLN  64  92.720   1.727  -0.380
  390    HG3  GLN  64           HG1      GLN  64  92.835   3.054   0.777
  391   HE21  GLN  64          HE21      GLN  64  93.206   0.339   1.621
  392   HE22  GLN  64          HE22      GLN  64  91.904  -0.086   2.623
  393    H    ILE  65           HN       ILE  65  94.132   3.478  -1.593
  394    HA   ILE  65           HA       ILE  65  93.779   2.101  -4.206
  395    HB   ILE  65           HB       ILE  65  96.313   2.746  -4.430
  396   HG12  ILE  65          HG12      ILE  65  95.308   4.859  -2.489
  397   HG13  ILE  65          HG11      ILE  65  96.504   3.620  -2.117
  398   HG21  ILE  65          HG21      ILE  65  94.118   4.822  -4.686
  399   HG22  ILE  65          HG22      ILE  65  94.485   3.568  -5.871
  400   HG23  ILE  65          HG23      ILE  65  95.660   4.841  -5.541
  401   HD11  ILE  65          HD11      ILE  65  97.755   4.589  -4.220
  402   HD12  ILE  65          HD12      ILE  65  97.860   5.438  -2.677
  403   HD13  ILE  65          HD13      ILE  65  96.749   6.007  -3.922
  404    H    LEU  66           HN       LEU  66  94.154   0.074  -4.199
  405    HA   LEU  66           HA       LEU  66  95.849  -1.131  -2.095
  406    HB2  LEU  66           HB2      LEU  66  93.268  -1.556  -2.248
  407    HB3  LEU  66           HB1      LEU  66  93.678  -2.570  -3.618
  408    HG   LEU  66           HG       LEU  66  94.304  -2.962  -0.708
  409   HD11  LEU  66          HD11      LEU  66  92.371  -4.072  -1.797
  410   HD12  LEU  66          HD12      LEU  66  93.557  -5.233  -1.199
  411   HD13  LEU  66          HD13      LEU  66  93.485  -4.853  -2.922
  412   HD21  LEU  66          HD21      LEU  66  95.899  -4.753  -1.312
  413   HD22  LEU  66          HD22      LEU  66  96.531  -3.169  -1.692
  414   HD23  LEU  66          HD23      LEU  66  95.891  -4.195  -2.977
  415    H    GLY  67           HN       GLY  67  97.636  -2.257  -2.851
  416    HA2  GLY  67           HA2      GLY  67  98.029  -2.464  -5.730
  417    HA3  GLY  67           HA1      GLY  67  99.178  -2.932  -4.483
  418    H    VAL  68           HN       VAL  68  97.266  -4.151  -6.867
  419    HA   VAL  68           HA       VAL  68  96.052  -6.395  -5.668
  420    HB   VAL  68           HB       VAL  68  95.885  -7.263  -7.951
  421   HG11  VAL  68          HG11      VAL  68  94.250  -5.615  -7.328
  422   HG12  VAL  68          HG12      VAL  68  94.796  -5.200  -8.953
  423   HG13  VAL  68          HG13      VAL  68  95.401  -4.300  -7.562
  424   HG21  VAL  68          HG21      VAL  68  98.019  -6.753  -8.882
  425   HG22  VAL  68          HG22      VAL  68  97.864  -5.041  -8.484
  426   HG23  VAL  68          HG23      VAL  68  96.874  -5.743  -9.760
  427    H    LYS  69           HN       LYS  69  99.242  -6.051  -7.221
  428    HA   LYS  69           HA       LYS  69  99.940  -8.788  -7.100
  429    HB2  LYS  69           HB2      LYS  69 101.118  -6.994  -8.442
  430    HB3  LYS  69           HB1      LYS  69 101.859  -6.465  -6.930
  431    HG2  LYS  69           HG2      LYS  69 102.612  -8.929  -6.656
  432    HG3  LYS  69           HG1      LYS  69 102.201  -9.101  -8.359
  433    HD2  LYS  69           HD2      LYS  69 103.752  -7.280  -8.928
  434    HD3  LYS  69           HD1      LYS  69 104.138  -7.083  -7.219
  435    HE2  LYS  69           HE2      LYS  69 105.887  -8.443  -8.035
  436    HE3  LYS  69           HE1      LYS  69 104.784  -9.583  -7.262
  437    HZ1  LYS  69           HZ1      LYS  69 103.876 -10.177  -9.355
  438    HZ2  LYS  69           HZ2      LYS  69 105.566 -10.233  -9.523
  439    HZ3  LYS  69           HZ3      LYS  69 104.691  -8.921 -10.152
  440    H    THR  70           HN       THR  70 100.687  -6.087  -4.928
  441    HA   THR  70           HA       THR  70 101.985  -7.852  -3.009
  442    HB   THR  70           HB       THR  70 102.134  -5.554  -1.759
  443    HG1  THR  70           HG1      THR  70 100.656  -4.411  -2.915
  444   HG21  THR  70          HG21      THR  70 103.521  -5.754  -4.435
  445   HG22  THR  70          HG22      THR  70 103.972  -6.732  -3.043
  446   HG23  THR  70          HG23      THR  70 104.114  -4.983  -2.965
  447    H    SER  71           HN       SER  71  98.851  -6.510  -3.499
  448    HA   SER  71           HA       SER  71  96.946  -6.536  -2.238
  449    HB2  SER  71           HB2      SER  71  97.051  -8.869  -2.007
  450    HB3  SER  71           HB1      SER  71  98.487  -8.804  -0.994
  451    HG   SER  71           HG       SER  71  96.939  -9.053   0.469
  452    H    ARG  72           HN       ARG  72  99.389  -4.906  -1.519
  453    HA   ARG  72           HA       ARG  72  98.919  -4.396   1.354
  454    HB2  ARG  72           HB2      ARG  72 101.164  -3.642  -0.530
  455    HB3  ARG  72           HB1      ARG  72 101.000  -2.963   1.083
  456    HG2  ARG  72           HG2      ARG  72 101.146  -5.199   2.075
  457    HG3  ARG  72           HG1      ARG  72 101.236  -5.920   0.471
  458    HD2  ARG  72           HD2      ARG  72 103.336  -4.749   0.021
  459    HD3  ARG  72           HD1      ARG  72 103.230  -3.920   1.566
  460    HE   ARG  72           HE       ARG  72 104.123  -5.806   2.544
  461   HH11  ARG  72          HH11      ARG  72 104.898  -7.928   2.565
  462   HH12  ARG  72          HH12      ARG  72 104.533  -8.993   1.249
  463   HH21  ARG  72          HH21      ARG  72 102.684  -6.637  -0.489
  464   HH22  ARG  72          HH22      ARG  72 103.282  -8.261  -0.480
  465    H    PHE  73           HN       PHE  73  98.137  -2.429   2.042
  466    HA   PHE  73           HA       PHE  73  96.913  -0.699   0.032
  467    HB2  PHE  73           HB2      PHE  73  97.039  -0.278   3.030
  468    HB3  PHE  73           HB1      PHE  73  95.884   0.412   1.894
  469    HD1  PHE  73           HD1      PHE  73  96.822  -2.530   3.836
  470    HD2  PHE  73           HD2      PHE  73  94.135  -1.015   0.844
  471    HE1  PHE  73           HE1      PHE  73  95.339  -4.486   4.182
  472    HE2  PHE  73           HE2      PHE  73  92.651  -2.976   1.193
  473    HZ   PHE  73           HZ       PHE  73  93.252  -4.709   2.862
  474    H    LEU  74           HN       LEU  74  97.724   1.244  -0.628
  475    HA   LEU  74           HA       LEU  74 100.371   2.006   0.379
  476    HB2  LEU  74           HB2      LEU  74 100.238   2.017  -1.997
  477    HB3  LEU  74           HB1      LEU  74  98.709   2.883  -1.985
  478    HG   LEU  74           HG       LEU  74  99.760   4.916  -1.246
  479   HD11  LEU  74          HD11      LEU  74 101.365   4.308   0.358
  480   HD12  LEU  74          HD12      LEU  74 102.367   4.824  -0.990
  481   HD13  LEU  74          HD13      LEU  74 102.110   3.106  -0.697
  482   HD21  LEU  74          HD21      LEU  74 101.544   5.207  -3.037
  483   HD22  LEU  74          HD22      LEU  74  99.996   4.602  -3.618
  484   HD23  LEU  74          HD23      LEU  74 101.348   3.493  -3.403
  485    H    CYS  75           HN       CYS  75 100.379   3.193   2.155
  486    HA   CYS  75           HA       CYS  75  98.430   5.416   2.397
  487    HB2  CYS  75           HB2      CYS  75  99.706   4.020   4.738
  488    HB3  CYS  75           HB1      CYS  75  98.307   5.089   4.733
  489    H    GLN  76           HN       GLN  76  99.183   7.355   3.290
  490    HA   GLN  76           HA       GLN  76 102.102   7.720   3.066
  491    HB2  GLN  76           HB2      GLN  76 100.731   9.107   1.574
  492    HB3  GLN  76           HB1      GLN  76  99.858   9.749   2.966
  493    HG2  GLN  76           HG2      GLN  76 101.855  10.774   3.841
  494    HG3  GLN  76           HG1      GLN  76 102.860   9.975   2.636
  495   HE21  GLN  76          HE21      GLN  76 103.338  11.247   0.844
  496   HE22  GLN  76          HE22      GLN  76 102.411  12.565   0.310
  497    H    ARG  77           HN       ARG  77 103.278   8.280   4.790
  498    HA   ARG  77           HA       ARG  77 102.001   8.355   7.378
  499    HB2  ARG  77           HB2      ARG  77 104.162   8.037   8.260
  500    HB3  ARG  77           HB1      ARG  77 104.212   7.196   6.723
  501    HG2  ARG  77           HG2      ARG  77 105.215   9.232   5.689
  502    HG3  ARG  77           HG1      ARG  77 105.294   9.959   7.291
  503    HD2  ARG  77           HD2      ARG  77 106.567   7.307   6.586
  504    HD3  ARG  77           HD1      ARG  77 107.431   8.842   6.579
  505    HE   ARG  77           HE       ARG  77 106.340   8.776   9.067
  506   HH11  ARG  77          HH11      ARG  77 107.314   7.802  10.865
  507   HH12  ARG  77          HH12      ARG  77 108.452   6.515  10.639
  508   HH21  ARG  77          HH21      ARG  77 108.208   6.555   7.179
  509   HH22  ARG  77          HH22      ARG  77 108.957   5.808   8.551
  510    HA   PRO  78           HA       PRO  78 101.741  12.701   8.160
  511    HB2  PRO  78           HB2      PRO  78 103.805  12.499  10.331
  512    HB3  PRO  78           HB1      PRO  78 102.180  13.213  10.383
  513    HG2  PRO  78           HG2      PRO  78 102.629  10.861  11.489
  514    HG3  PRO  78           HG1      PRO  78 101.140  11.151  10.570
  515    HD2  PRO  78           HD2      PRO  78 103.593   9.632   9.749
  516    HD3  PRO  78           HD1      PRO  78 101.883   9.270   9.424
  517    H    ASP  79           HN       ASP  79 105.075  11.498   8.160
  518    HA   ASP  79           HA       ASP  79 106.332  13.970   7.596
  519    HB2  ASP  79           HB2      ASP  79 107.233  11.155   6.920
  520    HB3  ASP  79           HB1      ASP  79 108.242  12.593   6.873
  521    H    GLY  80           HN       GLY  80 104.262  12.043   5.775
  522    HA2  GLY  80           HA2      GLY  80 103.394  12.569   3.661
  523    HA3  GLY  80           HA1      GLY  80 104.777  13.622   3.374
  524    H    ALA  81           HN       ALA  81 105.660  10.558   4.598
  525    HA   ALA  81           HA       ALA  81 106.818   9.843   2.016
  526    HB1  ALA  81           HB1      ALA  81 107.039   8.073   4.427
  527    HB2  ALA  81           HB2      ALA  81 107.878   9.624   4.431
  528    HB3  ALA  81           HB3      ALA  81 108.237   8.433   3.182
  529    H    LEU  82           HN       LEU  82 106.407   7.970   0.892
  530    HA   LEU  82           HA       LEU  82 103.724   6.818   1.275
  531    HB2  LEU  82           HB2      LEU  82 105.638   7.112  -1.017
  532    HB3  LEU  82           HB1      LEU  82 104.465   5.800  -1.080
  533    HG   LEU  82           HG       LEU  82 102.622   7.371  -0.843
  534   HD11  LEU  82          HD11      LEU  82 103.201   9.863  -0.904
  535   HD12  LEU  82          HD12      LEU  82 104.844   9.387  -0.473
  536   HD13  LEU  82          HD13      LEU  82 103.506   9.032   0.620
  537   HD21  LEU  82          HD21      LEU  82 104.708   8.058  -2.927
  538   HD22  LEU  82          HD22      LEU  82 103.126   8.831  -2.913
  539   HD23  LEU  82          HD23      LEU  82 103.248   7.085  -3.116
  540    H    TYR  83           HN       TYR  83 103.355   4.694   1.714
  541    HA   TYR  83           HA       TYR  83 105.425   2.706   1.422
  542    HB2  TYR  83           HB2      TYR  83 105.722   2.151   3.735
  543    HB3  TYR  83           HB1      TYR  83 106.016   3.882   3.576
  544    HD1  TYR  83           HD1      TYR  83 103.959   1.322   5.082
  545    HD2  TYR  83           HD2      TYR  83 104.151   5.513   4.166
  546    HE1  TYR  83           HE1      TYR  83 102.147   1.755   6.711
  547    HE2  TYR  83           HE2      TYR  83 102.336   5.949   5.803
  548    HH   TYR  83           HH       TYR  83 100.478   4.710   6.858
  549    H    GLY  84           HN       GLY  84 104.649   0.598   1.545
  550    HA2  GLY  84           HA2      GLY  84 101.779   0.298   1.275
  551    HA3  GLY  84           HA1      GLY  84 102.991  -0.975   1.117
  552    H    SER  85           HN       SER  85 100.442  -0.946   2.673
  553    HA   SER  85           HA       SER  85 101.596  -1.664   5.305
  554    HB2  SER  85           HB2      SER  85  99.713  -0.635   6.429
  555    HB3  SER  85           HB1      SER  85 100.509   0.566   5.419
  556    HG   SER  85           HG       SER  85  98.072  -0.791   5.026
  557    H    LEU  86           HN       LEU  86 100.457  -3.241   6.473
  558    HA   LEU  86           HA       LEU  86  98.941  -5.107   4.791
  559    HB2  LEU  86           HB2      LEU  86 100.299  -5.316   7.477
  560    HB3  LEU  86           HB1      LEU  86  99.178  -6.555   6.922
  561    HG   LEU  86           HG       LEU  86 101.581  -7.057   6.401
  562   HD11  LEU  86          HD11      LEU  86 100.286  -6.659   3.725
  563   HD12  LEU  86          HD12      LEU  86  99.435  -7.660   4.901
  564   HD13  LEU  86          HD13      LEU  86 101.066  -8.087   4.401
  565   HD21  LEU  86          HD21      LEU  86 102.095  -4.585   5.964
  566   HD22  LEU  86          HD22      LEU  86 101.373  -4.824   4.373
  567   HD23  LEU  86          HD23      LEU  86 102.805  -5.741   4.836
  568    H    HIS  87           HN       HIS  87  98.212  -2.491   6.547
  569    HA   HIS  87           HA       HIS  87  95.528  -3.499   7.237
  570    HB2  HIS  87           HB2      HIS  87  95.685  -1.999   9.310
  571    HB3  HIS  87           HB1      HIS  87  96.567  -3.525   9.362
  572    HD2  HIS  87           HD2      HIS  87  99.443  -3.198   8.802
  573    HE1  HIS  87           HE1      HIS  87  99.431   0.880   9.895
  574    HE2  HIS  87           HE2      HIS  87 100.911  -1.126   9.408
  575    H    PHE  88           HN       PHE  88  93.898  -1.970   7.118
  576    HA   PHE  88           HA       PHE  88  94.482   0.296   5.381
  577    HB2  PHE  88           HB2      PHE  88  92.626  -1.013   4.696
  578    HB3  PHE  88           HB1      PHE  88  91.958  -1.059   6.324
  579    HD1  PHE  88           HD1      PHE  88  93.215   1.764   4.158
  580    HD2  PHE  88           HD2      PHE  88  89.926   0.085   6.361
  581    HE1  PHE  88           HE1      PHE  88  91.854   3.766   3.654
  582    HE2  PHE  88           HE2      PHE  88  88.568   2.091   5.851
  583    HZ   PHE  88           HZ       PHE  88  89.527   3.929   4.499
  584    H    ASP  89           HN       ASP  89  94.587   2.344   6.008
  585    HA   ASP  89           HA       ASP  89  93.538   3.136   8.669
  586    HB2  ASP  89           HB2      ASP  89  96.070   2.816   8.544
  587    HB3  ASP  89           HB1      ASP  89  96.086   4.214   7.471
  588    HA   PRO  90           HA       PRO  90  91.515   5.839   5.512
  589    HB2  PRO  90           HB2      PRO  90  90.215   6.832   8.026
  590    HB3  PRO  90           HB1      PRO  90  89.475   6.381   6.476
  591    HG2  PRO  90           HG2      PRO  90  89.325   4.795   8.619
  592    HG3  PRO  90           HG1      PRO  90  89.480   4.134   6.985
  593    HD2  PRO  90           HD2      PRO  90  91.534   4.307   9.148
  594    HD3  PRO  90           HD1      PRO  90  91.348   3.087   7.867
  595    H    GLU  91           HN       GLU  91  92.692   6.850   8.686
  596    HA   GLU  91           HA       GLU  91  92.940   9.599   8.134
  597    HB2  GLU  91           HB2      GLU  91  94.293   7.814  10.141
  598    HB3  GLU  91           HB1      GLU  91  94.560   9.557  10.086
  599    HG2  GLU  91           HG2      GLU  91  92.161   9.959  10.362
  600    HG3  GLU  91           HG1      GLU  91  91.849   8.224  10.362
  601    H    ALA  92           HN       ALA  92  94.743   7.095   6.766
  602    HA   ALA  92           HA       ALA  92  96.859   9.028   5.997
  603    HB1  ALA  92           HB1      ALA  92  97.921   7.703   7.672
  604    HB2  ALA  92           HB2      ALA  92  98.489   7.099   6.115
  605    HB3  ALA  92           HB3      ALA  92  97.255   6.210   7.009
  606    H    CYS  93           HN       CYS  93  95.084   6.075   5.263
  607    HA   CYS  93           HA       CYS  93  96.226   5.976   2.578
  608    HB2  CYS  93           HB2      CYS  93  95.101   4.056   4.374
  609    HB3  CYS  93           HB1      CYS  93  94.159   4.018   2.886
  610    H    SER  94           HN       SER  94  93.739   7.690   3.946
  611    HA   SER  94           HA       SER  94  91.871   7.424   1.729
  612    HB2  SER  94           HB2      SER  94  91.958   9.456   3.978
  613    HB3  SER  94           HB1      SER  94  90.633   9.230   2.842
  614    HG   SER  94           HG       SER  94  91.438   6.914   4.053
  615    H    PHE  95           HN       PHE  95  91.968   8.568  -0.105
  616    HA   PHE  95           HA       PHE  95  93.704  10.979  -0.205
  617    HB2  PHE  95           HB2      PHE  95  93.425   8.851  -2.338
  618    HB3  PHE  95           HB1      PHE  95  94.430  10.294  -2.423
  619    HD1  PHE  95           HD1      PHE  95  94.093   6.929  -1.047
  620    HD2  PHE  95           HD2      PHE  95  96.413  10.543  -0.938
  621    HE1  PHE  95           HE1      PHE  95  95.938   5.707   0.065
  622    HE2  PHE  95           HE2      PHE  95  98.260   9.321   0.183
  623    HZ   PHE  95           HZ       PHE  95  98.028   6.902   0.678
  624    H    ARG  96           HN       ARG  96  93.062  12.603  -1.609
  625    HA   ARG  96           HA       ARG  96  90.223  12.496  -2.413
  626    HB2  ARG  96           HB2      ARG  96  90.943  14.328  -0.881
  627    HB3  ARG  96           HB1      ARG  96  92.043  14.901  -2.136
  628    HG2  ARG  96           HG2      ARG  96  90.141  15.211  -3.675
  629    HG3  ARG  96           HG1      ARG  96  89.036  14.631  -2.428
  630    HD2  ARG  96           HD2      ARG  96  89.895  16.505  -0.950
  631    HD3  ARG  96           HD1      ARG  96  90.734  17.135  -2.365
  632    HE   ARG  96           HE       ARG  96  87.920  16.666  -2.812
  633   HH11  ARG  96          HH11      ARG  96  86.627  18.505  -3.075
  634   HH12  ARG  96          HH12      ARG  96  87.252  20.067  -2.668
  635   HH21  ARG  96          HH21      ARG  96  90.346  18.858  -1.669
  636   HH22  ARG  96          HH22      ARG  96  89.357  20.265  -1.868
  637    H    GLU  97           HN       GLU  97  89.599  12.946  -4.519
  638    HA   GLU  97           HA       GLU  97  91.702  12.588  -6.526
  639    HB2  GLU  97           HB2      GLU  97  89.706  12.483  -8.103
  640    HB3  GLU  97           HB1      GLU  97  89.815  11.203  -6.897
  641    HG2  GLU  97           HG2      GLU  97  88.202  12.376  -5.470
  642    HG3  GLU  97           HG1      GLU  97  88.122  13.706  -6.626
  643    H    LEU  98           HN       LEU  98  92.569  14.152  -7.651
  644    HA   LEU  98           HA       LEU  98  91.240  16.811  -7.744
  645    HB2  LEU  98           HB2      LEU  98  94.192  16.170  -7.919
  646    HB3  LEU  98           HB1      LEU  98  93.465  17.775  -7.855
  647    HG   LEU  98           HG       LEU  98  93.251  15.686  -5.663
  648   HD11  LEU  98          HD11      LEU  98  94.992  18.147  -5.965
  649   HD12  LEU  98          HD12      LEU  98  95.528  16.475  -5.799
  650   HD13  LEU  98          HD13      LEU  98  94.763  17.295  -4.437
  651   HD21  LEU  98          HD21      LEU  98  92.226  18.507  -6.003
  652   HD22  LEU  98          HD22      LEU  98  92.547  17.864  -4.392
  653   HD23  LEU  98          HD23      LEU  98  91.361  17.080  -5.433
  654    H    LEU  99           HN       LEU  99  90.760  17.568  -9.733
  655    HA   LEU  99           HA       LEU  99  92.037  16.277 -12.088
  656    HB2  LEU  99           HB2      LEU  99  89.216  16.640 -11.402
  657    HB3  LEU  99           HB1      LEU  99  89.585  17.384 -12.954
  658    HG   LEU  99           HG       LEU  99  88.896  15.021 -13.210
  659   HD11  LEU  99          HD11      LEU  99  90.282  14.814 -14.981
  660   HD12  LEU  99          HD12      LEU  99  91.715  14.684 -13.967
  661   HD13  LEU  99          HD13      LEU  99  91.094  16.271 -14.415
  662   HD21  LEU  99          HD21      LEU  99  89.873  13.250 -12.103
  663   HD22  LEU  99          HD22      LEU  99  90.124  14.494 -10.880
  664   HD23  LEU  99          HD23      LEU  99  91.442  14.042 -11.964
  665    H    LEU 100           HN       LEU 100  93.176  17.534 -13.309
  666    HA   LEU 100           HA       LEU 100  93.081  20.447 -12.928
  667    HB2  LEU 100           HB2      LEU 100  95.056  18.644 -14.346
  668    HB3  LEU 100           HB1      LEU 100  95.199  20.398 -14.250
  669    HG   LEU 100           HG       LEU 100  95.014  18.577 -11.833
  670   HD11  LEU 100          HD11      LEU 100  97.521  19.348 -11.650
  671   HD12  LEU 100          HD12      LEU 100  97.377  19.610 -13.389
  672   HD13  LEU 100          HD13      LEU 100  97.102  18.007 -12.712
  673   HD21  LEU 100          HD21      LEU 100  96.128  20.788 -10.856
  674   HD22  LEU 100          HD22      LEU 100  94.382  20.677 -11.042
  675   HD23  LEU 100          HD23      LEU 100  95.341  21.542 -12.242
  676    H    GLU 101           HN       GLU 101  92.857  21.884 -14.656
  677    HA   GLU 101           HA       GLU 101  90.931  21.271 -16.582
  678    HB2  GLU 101           HB2      GLU 101  91.535  23.572 -15.845
  679    HB3  GLU 101           HB1      GLU 101  93.058  23.429 -16.719
  680    HG2  GLU 101           HG2      GLU 101  91.538  24.611 -18.153
  681    HG3  GLU 101           HG1      GLU 101  91.697  22.989 -18.816
  682    H    ASP 102           HN       ASP 102  94.394  20.928 -16.594
  683    HA   ASP 102           HA       ASP 102  94.755  20.588 -19.392
  684    HB2  ASP 102           HB2      ASP 102  96.389  19.817 -16.986
  685    HB3  ASP 102           HB1      ASP 102  96.926  19.504 -18.634
  686    H    GLY 103           HN       GLY 103  93.282  18.619 -17.058
  687    HA2  GLY 103           HA2      GLY 103  92.135  16.626 -17.561
  688    HA3  GLY 103           HA1      GLY 103  93.165  16.396 -18.966
  689    H    TYR 104           HN       TYR 104  94.956  17.177 -16.148
  690    HA   TYR 104           HA       TYR 104  95.844  14.370 -15.950
  691    HB2  TYR 104           HB2      TYR 104  97.003  16.893 -14.743
  692    HB3  TYR 104           HB1      TYR 104  97.701  15.285 -14.594
  693    HD1  TYR 104           HD1      TYR 104  97.956  18.257 -16.371
  694    HD2  TYR 104           HD2      TYR 104  97.861  14.012 -17.018
  695    HE1  TYR 104           HE1      TYR 104  99.105  18.565 -18.542
  696    HE2  TYR 104           HE2      TYR 104  99.014  14.323 -19.190
  697    HH   TYR 104           HH       TYR 104 100.452  15.959 -20.290
  698    H    ASN 105           HN       ASN 105  96.087  13.378 -13.819
  699    HA   ASN 105           HA       ASN 105  94.152  14.449 -11.835
  700    HB2  ASN 105           HB2      ASN 105  93.194  12.497 -12.911
  701    HB3  ASN 105           HB1      ASN 105  94.654  11.564 -12.583
  702   HD21  ASN 105          HD21      ASN 105  91.587  11.857 -11.475
  703   HD22  ASN 105          HD22      ASN 105  91.828  11.541  -9.824
  704    H    VAL 106           HN       VAL 106  94.760  14.514  -9.759
  705    HA   VAL 106           HA       VAL 106  97.337  13.278  -8.987
  706    HB   VAL 106           HB       VAL 106  96.530  16.027  -8.043
  707   HG11  VAL 106          HG11      VAL 106  99.203  14.621  -8.323
  708   HG12  VAL 106          HG12      VAL 106  98.292  14.781  -6.820
  709   HG13  VAL 106          HG13      VAL 106  98.934  16.215  -7.618
  710   HG21  VAL 106          HG21      VAL 106  96.599  16.255 -10.437
  711   HG22  VAL 106          HG22      VAL 106  98.046  15.257 -10.546
  712   HG23  VAL 106          HG23      VAL 106  98.136  16.864  -9.823
  713    H    TYR 107           HN       TYR 107  97.558  12.941  -6.699
  714    HA   TYR 107           HA       TYR 107  94.954  12.745  -5.274
  715    HB2  TYR 107           HB2      TYR 107  97.350  10.903  -5.192
  716    HB3  TYR 107           HB1      TYR 107  95.943  10.764  -4.141
  717    HD1  TYR 107           HD1      TYR 107  97.187  10.451  -7.595
  718    HD2  TYR 107           HD2      TYR 107  93.789  10.017  -5.006
  719    HE1  TYR 107           HE1      TYR 107  95.998   9.186  -9.368
  720    HE2  TYR 107           HE2      TYR 107  92.599   8.750  -6.776
  721    HH   TYR 107           HH       TYR 107  93.143   8.812  -9.762
  722    H    GLN 108           HN       GLN 108  94.871  13.304  -3.147
  723    HA   GLN 108           HA       GLN 108  97.312  14.196  -1.771
  724    HB2  GLN 108           HB2      GLN 108  96.472  16.210  -2.872
  725    HB3  GLN 108           HB1      GLN 108  94.861  15.924  -2.220
  726    HG2  GLN 108           HG2      GLN 108  95.679  16.225   0.057
  727    HG3  GLN 108           HG1      GLN 108  97.337  16.373  -0.527
  728   HE21  GLN 108          HE21      GLN 108  95.529  18.392   0.904
  729   HE22  GLN 108          HE22      GLN 108  95.558  19.760  -0.101
  730    H    SER 109           HN       SER 109  97.283  13.549   0.315
  731    HA   SER 109           HA       SER 109  95.234  11.936   1.354
  732    HB2  SER 109           HB2      SER 109  96.408  12.064   3.465
  733    HB3  SER 109           HB1      SER 109  97.599  11.987   2.169
  734    HG   SER 109           HG       SER 109  97.350  13.831   4.025
  735    H    GLU 110           HN       GLU 110  93.252  12.500   1.905
  736    HA   GLU 110           HA       GLU 110  92.440  15.202   2.285
  737    HB2  GLU 110           HB2      GLU 110  90.258  14.344   2.438
  738    HB3  GLU 110           HB1      GLU 110  91.086  13.229   1.363
  739    HG2  GLU 110           HG2      GLU 110  89.995  11.766   2.833
  740    HG3  GLU 110           HG1      GLU 110  91.600  11.877   3.545
  741    H    ALA 111           HN       ALA 111  93.246  12.575   4.465
  742    HA   ALA 111           HA       ALA 111  92.094  13.504   6.815
  743    HB1  ALA 111           HB1      ALA 111  94.707  12.016   6.553
  744    HB2  ALA 111           HB2      ALA 111  93.107  11.276   6.527
  745    HB3  ALA 111           HB3      ALA 111  93.677  12.089   7.985
  746    H    HIS 112           HN       HIS 112  95.431  14.153   5.667
  747    HA   HIS 112           HA       HIS 112  95.556  16.371   7.644
  748    HB2  HIS 112           HB2      HIS 112  97.131  14.388   7.929
  749    HB3  HIS 112           HB1      HIS 112  97.930  14.944   6.462
  750    HD2  HIS 112           HD2      HIS 112  96.927  18.094   8.292
  751    HE1  HIS 112           HE1      HIS 112 100.752  17.147   9.793
  752    HE2  HIS 112           HE2      HIS 112  98.970  18.946   9.663
  753    H    GLY 113           HN       GLY 113  95.482  15.670   4.321
  754    HA2  GLY 113           HA2      GLY 113  95.451  17.229   2.571
  755    HA3  GLY 113           HA1      GLY 113  96.022  18.456   3.691
  756    H    LEU 114           HN       LEU 114  97.864  15.578   3.812
  757    HA   LEU 114           HA       LEU 114 100.192  16.909   2.842
  758    HB2  LEU 114           HB2      LEU 114  99.644  14.020   3.536
  759    HB3  LEU 114           HB1      LEU 114 101.223  14.588   3.008
  760    HG   LEU 114           HG       LEU 114  99.866  16.036   5.275
  761   HD11  LEU 114          HD11      LEU 114  99.712  13.593   5.814
  762   HD12  LEU 114          HD12      LEU 114 100.775  14.474   6.910
  763   HD13  LEU 114          HD13      LEU 114 101.461  13.478   5.627
  764   HD21  LEU 114          HD21      LEU 114 102.779  15.272   4.965
  765   HD22  LEU 114          HD22      LEU 114 102.087  16.604   5.892
  766   HD23  LEU 114          HD23      LEU 114 102.107  16.674   4.132
  767    HA   PRO 115           HA       PRO 115  99.514  15.860  -1.464
  768    HB2  PRO 115           HB2      PRO 115 101.916  16.521  -2.521
  769    HB3  PRO 115           HB1      PRO 115 100.797  17.756  -1.905
  770    HG2  PRO 115           HG2      PRO 115 103.186  16.544  -0.568
  771    HG3  PRO 115           HG1      PRO 115 102.698  18.247  -0.666
  772    HD2  PRO 115           HD2      PRO 115 102.185  16.695   1.535
  773    HD3  PRO 115           HD1      PRO 115 101.131  18.040   1.040
  774    H    LEU 116           HN       LEU 116  99.965  14.165  -2.935
  775    HA   LEU 116           HA       LEU 116 101.509  11.936  -1.790
  776    HB2  LEU 116           HB2      LEU 116  99.120  11.656  -2.587
  777    HB3  LEU 116           HB1      LEU 116  99.708  11.912  -4.224
  778    HG   LEU 116           HG       LEU 116 101.079   9.821  -2.537
  779   HD11  LEU 116          HD11      LEU 116  98.503   9.273  -4.021
  780   HD12  LEU 116          HD12      LEU 116  98.619   9.423  -2.271
  781   HD13  LEU 116          HD13      LEU 116  99.466   8.122  -3.100
  782   HD21  LEU 116          HD21      LEU 116 102.031  10.155  -4.722
  783   HD22  LEU 116          HD22      LEU 116 100.444  10.156  -5.486
  784   HD23  LEU 116          HD23      LEU 116 101.099   8.667  -4.817
  785    H    HIS 117           HN       HIS 117 103.493  11.532  -2.480
  786    HA   HIS 117           HA       HIS 117 104.222  11.865  -5.276
  787    HB2  HIS 117           HB2      HIS 117 106.186  13.289  -4.739
  788    HB3  HIS 117           HB1      HIS 117 104.656  14.113  -4.441
  789    HD2  HIS 117           HD2      HIS 117 107.832  13.124  -2.502
  790    HE1  HIS 117           HE1      HIS 117 104.973  14.265   0.388
  791    HE2  HIS 117           HE2      HIS 117 107.421  13.701   0.013
  792    H    LEU 118           HN       LEU 118 106.313  10.921  -5.756
  793    HA   LEU 118           HA       LEU 118 106.788   8.494  -4.401
  794    HB2  LEU 118           HB2      LEU 118 108.542  10.055  -6.316
  795    HB3  LEU 118           HB1      LEU 118 108.832   8.387  -5.836
  796    HG   LEU 118           HG       LEU 118 106.271   9.359  -7.133
  797   HD11  LEU 118          HD11      LEU 118 107.078   8.451  -9.206
  798   HD12  LEU 118          HD12      LEU 118 108.516   7.788  -8.423
  799   HD13  LEU 118          HD13      LEU 118 108.328   9.535  -8.592
  800   HD21  LEU 118          HD21      LEU 118 105.656   7.368  -6.107
  801   HD22  LEU 118          HD22      LEU 118 107.285   6.698  -6.164
  802   HD23  LEU 118          HD23      LEU 118 106.290   6.726  -7.618
  803    HA   PRO 119           HA       PRO 119 109.307   9.782  -0.993
  804    HB2  PRO 119           HB2      PRO 119 111.148   7.702  -0.856
  805    HB3  PRO 119           HB1      PRO 119 109.493   7.620  -0.224
  806    HG2  PRO 119           HG2      PRO 119 110.574   6.607  -2.819
  807    HG3  PRO 119           HG1      PRO 119 109.419   5.850  -1.705
  808    HD2  PRO 119           HD2      PRO 119 108.585   7.067  -3.963
  809    HD3  PRO 119           HD1      PRO 119 107.627   7.145  -2.469
  810    H    GLY 120           HN       GLY 120 111.099  11.013  -0.633
  811    HA2  GLY 120           HA2      GLY 120 113.618  10.962  -1.593
  812    HA3  GLY 120           HA1      GLY 120 112.736  11.708  -2.925
  813    H    ASN 121           HN       ASN 121 113.531  12.008   0.500
  814    HA   ASN 121           HA       ASN 121 112.465  14.697   0.695
  815    HB2  ASN 121           HB2      ASN 121 113.572  14.585   2.981
  816    HB3  ASN 121           HB1      ASN 121 112.316  13.385   2.676
  817   HD21  ASN 121          HD21      ASN 121 113.184  11.197   1.824
  818   HD22  ASN 121          HD22      ASN 121 114.667  10.657   2.449
  819    H    LYS 122           HN       LYS 122 113.607  15.957  -0.759
  820    HA   LYS 122           HA       LYS 122 115.380  17.133  -1.652
  821    HB2  LYS 122           HB2      LYS 122 115.998  17.224   1.310
  822    HB3  LYS 122           HB1      LYS 122 116.752  18.261   0.097
  823    HG2  LYS 122           HG2      LYS 122 114.590  19.194  -0.523
  824    HG3  LYS 122           HG1      LYS 122 113.763  18.074   0.556
  825    HD2  LYS 122           HD2      LYS 122 113.878  20.107   1.776
  826    HD3  LYS 122           HD1      LYS 122 115.157  19.099   2.448
  827    HE2  LYS 122           HE2      LYS 122 116.854  20.283   1.248
  828    HE3  LYS 122           HE1      LYS 122 115.666  21.097   0.230
  829    HZ1  LYS 122           HZ1      LYS 122 115.712  22.730   1.709
  830    HZ2  LYS 122           HZ2      LYS 122 116.624  21.815   2.813
  831    HZ3  LYS 122           HZ3      LYS 122 114.930  21.694   2.800
  832    H    SER 123           HN       SER 123 116.584  15.773  -2.891
  833    HA   SER 123           HA       SER 123 119.212  15.186  -2.145
  834    HB2  SER 123           HB2      SER 123 118.574  12.497  -2.362
  835    HB3  SER 123           HB1      SER 123 118.905  13.341  -0.853
  836    HG   SER 123           HG       SER 123 116.380  13.810  -1.606
  837    HA   PRO 124           HA       PRO 124 118.399  13.021  -6.349
  838    HB2  PRO 124           HB2      PRO 124 115.825  12.941  -7.309
  839    HB3  PRO 124           HB1      PRO 124 116.529  11.652  -6.310
  840    HG2  PRO 124           HG2      PRO 124 114.757  13.920  -5.492
  841    HG3  PRO 124           HG1      PRO 124 114.676  12.210  -5.027
  842    HD2  PRO 124           HD2      PRO 124 115.757  14.060  -3.387
  843    HD3  PRO 124           HD1      PRO 124 116.409  12.409  -3.477
  844    H    HIS 125           HN       HIS 125 118.305  13.981  -8.471
  845    HA   HIS 125           HA       HIS 125 118.536  16.780  -8.499
  846    HB2  HIS 125           HB2      HIS 125 119.593  15.245 -10.147
  847    HB3  HIS 125           HB1      HIS 125 118.003  14.960 -10.856
  848    HD2  HIS 125           HD2      HIS 125 120.494  18.022 -10.411
  849    HE1  HIS 125           HE1      HIS 125 117.768  18.907 -13.512
  850    HE2  HIS 125           HE2      HIS 125 119.835  19.723 -12.280
  851    H    ARG 126           HN       ARG 126 117.090  18.359  -8.636
  852    HA   ARG 126           HA       ARG 126 114.443  17.845  -9.836
  853    HB2  ARG 126           HB2      ARG 126 114.192  17.580  -7.388
  854    HB3  ARG 126           HB1      ARG 126 114.868  19.192  -7.157
  855    HG2  ARG 126           HG2      ARG 126 113.034  20.221  -8.322
  856    HG3  ARG 126           HG1      ARG 126 112.415  18.655  -8.848
  857    HD2  ARG 126           HD2      ARG 126 112.657  19.492  -5.947
  858    HD3  ARG 126           HD1      ARG 126 111.174  19.624  -6.891
  859    HE   ARG 126           HE       ARG 126 111.944  17.003  -7.185
  860   HH11  ARG 126          HH11      ARG 126 111.196  15.361  -5.815
  861   HH12  ARG 126          HH12      ARG 126 110.685  15.745  -4.206
  862   HH21  ARG 126          HH21      ARG 126 111.335  19.137  -4.527
  863   HH22  ARG 126          HH22      ARG 126 110.762  17.884  -3.478
  864    H    ASP 127           HN       ASP 127 113.850  19.430 -11.187
  865    HA   ASP 127           HA       ASP 127 115.530  21.457 -11.981
  866    HB2  ASP 127           HB2      ASP 127 112.507  21.514 -12.113
  867    HB3  ASP 127           HB1      ASP 127 113.614  22.395 -13.162
  868    HA   PRO 128           HA       PRO 128 115.145  24.679  -8.955
  869    HB2  PRO 128           HB2      PRO 128 114.597  26.808 -10.943
  870    HB3  PRO 128           HB1      PRO 128 116.020  26.581  -9.910
  871    HG2  PRO 128           HG2      PRO 128 116.106  26.181 -12.567
  872    HG3  PRO 128           HG1      PRO 128 117.077  25.220 -11.435
  873    HD2  PRO 128           HD2      PRO 128 114.508  24.482 -12.810
  874    HD3  PRO 128           HD1      PRO 128 115.966  23.503 -12.549
  875    H    ALA 129           HN       ALA 129 113.633  25.876  -7.737
  876    HA   ALA 129           HA       ALA 129 111.565  26.549  -7.009
  877    HB1  ALA 129           HB1      ALA 129 110.116  27.596  -8.527
  878    HB2  ALA 129           HB2      ALA 129 110.612  26.558  -9.862
  879    HB3  ALA 129           HB3      ALA 129 111.708  27.798  -9.254
  880    HA   PRO 130           HA       PRO 130 109.705  22.393  -7.334
  881    HB2  PRO 130           HB2      PRO 130 108.728  22.181  -4.830
  882    HB3  PRO 130           HB1      PRO 130 110.472  22.070  -5.152
  883    HG2  PRO 130           HG2      PRO 130 108.890  24.374  -4.101
  884    HG3  PRO 130           HG1      PRO 130 110.491  23.792  -3.610
  885    HD2  PRO 130           HD2      PRO 130 110.054  25.933  -5.346
  886    HD3  PRO 130           HD1      PRO 130 111.565  25.001  -5.260
  887    H    ARG 131           HN       ARG 131 107.835  22.292  -8.512
  888    HA   ARG 131           HA       ARG 131 105.774  24.232  -8.329
  889    HB2  ARG 131           HB2      ARG 131 105.669  21.449  -9.525
  890    HB3  ARG 131           HB1      ARG 131 104.492  22.735  -9.802
  891    HG2  ARG 131           HG2      ARG 131 106.833  24.045 -10.430
  892    HG3  ARG 131           HG1      ARG 131 107.234  22.404 -10.925
  893    HD2  ARG 131           HD2      ARG 131 104.885  24.066 -11.861
  894    HD3  ARG 131           HD1      ARG 131 106.275  23.564 -12.816
  895    HE   ARG 131           HE       ARG 131 104.845  21.323 -11.724
  896   HH11  ARG 131          HH11      ARG 131 103.581  20.107 -13.185
  897   HH12  ARG 131          HH12      ARG 131 103.233  20.750 -14.755
  898   HH21  ARG 131          HH21      ARG 131 104.972  23.702 -14.225
  899   HH22  ARG 131          HH22      ARG 131 104.017  22.786 -15.345
  900    H    GLY 132           HN       GLY 132 106.153  20.991  -6.958
  901    HA2  GLY 132           HA2      GLY 132 105.164  20.950  -4.608
  902    HA3  GLY 132           HA1      GLY 132 103.661  21.373  -5.401
  903    HA   PRO 133           HA       PRO 133 103.357  16.866  -5.443
  904    HB2  PRO 133           HB2      PRO 133 100.812  16.603  -6.313
  905    HB3  PRO 133           HB1      PRO 133 101.184  17.199  -4.683
  906    HG2  PRO 133           HG2      PRO 133 100.462  18.749  -7.137
  907    HG3  PRO 133           HG1      PRO 133  99.876  18.945  -5.474
  908    HD2  PRO 133           HD2      PRO 133 101.857  20.514  -6.553
  909    HD3  PRO 133           HD1      PRO 133 101.747  20.154  -4.815
  910    H    ALA 134           HN       ALA 134 103.511  15.214  -6.965
  911    HA   ALA 134           HA       ALA 134 104.127  16.046  -9.680
  912    HB1  ALA 134           HB1      ALA 134 104.089  13.193  -8.721
  913    HB2  ALA 134           HB2      ALA 134 105.378  14.289  -8.227
  914    HB3  ALA 134           HB3      ALA 134 105.123  13.943  -9.938
  915    H    ARG 135           HN       ARG 135 103.048  15.450 -11.530
  916    HA   ARG 135           HA       ARG 135 100.223  14.881 -11.247
  917    HB2  ARG 135           HB2      ARG 135 100.192  15.138 -13.713
  918    HB3  ARG 135           HB1      ARG 135 100.977  16.505 -12.918
  919    HG2  ARG 135           HG2      ARG 135 103.188  15.463 -13.354
  920    HG3  ARG 135           HG1      ARG 135 102.382  14.146 -14.207
  921    HD2  ARG 135           HD2      ARG 135 101.427  15.772 -15.804
  922    HD3  ARG 135           HD1      ARG 135 102.270  17.075 -14.969
  923    HE   ARG 135           HE       ARG 135 104.146  15.095 -15.696
  924   HH11  ARG 135          HH11      ARG 135 105.454  15.444 -17.517
  925   HH12  ARG 135          HH12      ARG 135 104.971  16.596 -18.718
  926   HH21  ARG 135          HH21      ARG 135 102.044  17.474 -17.075
  927   HH22  ARG 135          HH22      ARG 135 103.041  17.749 -18.465
  928    H    PHE 136           HN       PHE 136  99.175  13.008 -11.695
  929    HA   PHE 136           HA       PHE 136 100.806  10.690 -12.595
  930    HB2  PHE 136           HB2      PHE 136  98.916  10.993 -10.298
  931    HB3  PHE 136           HB1      PHE 136  98.825   9.470 -11.185
  932    HD1  PHE 136           HD1      PHE 136 100.754  11.459  -8.833
  933    HD2  PHE 136           HD2      PHE 136 100.902   8.100 -11.502
  934    HE1  PHE 136           HE1      PHE 136 102.816  10.646  -7.705
  935    HE2  PHE 136           HE2      PHE 136 102.958   7.293 -10.384
  936    HZ   PHE 136           HZ       PHE 136 103.915   8.560  -8.484
  937    H    LEU 137           HN       LEU 137 100.039   9.422 -14.113
  938    HA   LEU 137           HA       LEU 137  97.435  10.103 -15.363
  939    HB2  LEU 137           HB2      LEU 137 100.112   9.348 -16.485
  940    HB3  LEU 137           HB1      LEU 137  98.668   8.913 -17.392
  941    HG   LEU 137           HG       LEU 137  99.018  11.736 -16.371
  942   HD11  LEU 137          HD11      LEU 137 100.061  12.313 -18.553
  943   HD12  LEU 137          HD12      LEU 137 100.160  10.595 -18.939
  944   HD13  LEU 137          HD13      LEU 137 101.084  11.250 -17.587
  945   HD21  LEU 137          HD21      LEU 137  96.836  11.222 -17.290
  946   HD22  LEU 137          HD22      LEU 137  97.554  10.449 -18.703
  947   HD23  LEU 137          HD23      LEU 137  97.696  12.190 -18.484
  948    HA   PRO 138           HA       PRO 138  96.909   5.779 -14.015
  949    HB2  PRO 138           HB2      PRO 138  94.217   5.710 -13.854
  950    HB3  PRO 138           HB1      PRO 138  95.201   6.561 -12.646
  951    HG2  PRO 138           HG2      PRO 138  93.668   7.674 -14.952
  952    HG3  PRO 138           HG1      PRO 138  93.826   8.298 -13.300
  953    HD2  PRO 138           HD2      PRO 138  95.298   9.231 -15.467
  954    HD3  PRO 138           HD1      PRO 138  95.810   9.391 -13.770
  955    H    LEU 139           HN       LEU 139  97.321   4.303 -15.578
  956    HA   LEU 139           HA       LEU 139  95.967   4.463 -18.163
  957    HB2  LEU 139           HB2      LEU 139  97.894   2.251 -17.591
  958    HB3  LEU 139           HB1      LEU 139  97.722   3.246 -19.034
  959    HG   LEU 139           HG       LEU 139  98.932   4.151 -16.401
  960   HD11  LEU 139          HD11      LEU 139 100.486   2.690 -17.442
  961   HD12  LEU 139          HD12      LEU 139 101.000   4.307 -17.920
  962   HD13  LEU 139          HD13      LEU 139 100.102   3.297 -19.052
  963   HD21  LEU 139          HD21      LEU 139  97.979   6.077 -17.410
  964   HD22  LEU 139          HD22      LEU 139  98.392   5.534 -19.034
  965   HD23  LEU 139          HD23      LEU 139  99.656   6.097 -17.945
  966    HA   PRO 140           HA       PRO 140  92.853   1.393 -17.158
  967    HB2  PRO 140           HB2      PRO 140  93.584   0.122 -19.777
  968    HB3  PRO 140           HB1      PRO 140  91.983   0.567 -19.150
  969    HG2  PRO 140           HG2      PRO 140  93.212   2.030 -21.019
  970    HG3  PRO 140           HG1      PRO 140  92.213   2.774 -19.758
  971    HD2  PRO 140           HD2      PRO 140  95.188   2.769 -20.037
  972    HD3  PRO 140           HD1      PRO 140  94.116   3.964 -19.268
  973    H    GLY 141           HN       GLY 141  93.077  -0.367 -15.857
  974    HA2  GLY 141           HA2      GLY 141  95.126  -2.396 -16.493
  975    HA3  GLY 141           HA1      GLY 141  95.121  -1.654 -14.894
  Start of MODEL    2
    1    H1   GLY  13           HT1      GLY  13  80.384  -0.061  -4.516
    2    H2   GLY  13           HT2      GLY  13  80.118   0.855  -3.110
    3    H3   GLY  13           HT3      GLY  13  81.318  -0.348  -3.129
    4    HA2  GLY  13           HA2      GLY  13  81.335   2.329  -4.339
    5    HA3  GLY  13           HA1      GLY  13  82.592   1.524  -3.399
    6    H    GLN  14           HN       GLN  14  82.127   2.656  -6.336
    7    HA   GLN  14           HA       GLN  14  82.616   0.531  -8.118
    8    HB2  GLN  14           HB2      GLN  14  83.284   3.474  -8.292
    9    HB3  GLN  14           HB1      GLN  14  83.511   2.340  -9.624
   10    HG2  GLN  14           HG2      GLN  14  81.138   1.784  -9.613
   11    HG3  GLN  14           HG1      GLN  14  80.875   2.811  -8.204
   12   HE21  GLN  14          HE21      GLN  14  83.038   4.663  -9.639
   13   HE22  GLN  14          HE22      GLN  14  82.081   5.541 -10.731
   14    H    VAL  15           HN       VAL  15  84.396  -0.608  -8.603
   15    HA   VAL  15           HA       VAL  15  87.025   0.380  -7.658
   16    HB   VAL  15           HB       VAL  15  86.439  -1.301  -6.089
   17   HG11  VAL  15          HG11      VAL  15  85.698  -3.030  -8.467
   18   HG12  VAL  15          HG12      VAL  15  84.567  -2.294  -7.331
   19   HG13  VAL  15          HG13      VAL  15  85.676  -3.549  -6.781
   20   HG21  VAL  15          HG21      VAL  15  88.740  -1.447  -7.159
   21   HG22  VAL  15          HG22      VAL  15  88.108  -2.749  -8.165
   22   HG23  VAL  15          HG23      VAL  15  88.170  -2.939  -6.415
   23    H    ARG  16           HN       ARG  16  88.659   0.209  -9.012
   24    HA   ARG  16           HA       ARG  16  88.480  -1.508 -11.384
   25    HB2  ARG  16           HB2      ARG  16  88.795   1.497 -11.487
   26    HB3  ARG  16           HB1      ARG  16  89.241   0.434 -12.823
   27    HG2  ARG  16           HG2      ARG  16  86.928  -0.463 -12.859
   28    HG3  ARG  16           HG1      ARG  16  86.494   0.640 -11.553
   29    HD2  ARG  16           HD2      ARG  16  87.104   2.565 -12.987
   30    HD3  ARG  16           HD1      ARG  16  87.495   1.453 -14.295
   31    HE   ARG  16           HE       ARG  16  84.876   0.891 -13.494
   32   HH11  ARG  16          HH11      ARG  16  83.138   1.740 -14.678
   33   HH12  ARG  16          HH12      ARG  16  83.368   3.151 -15.656
   34   HH21  ARG  16          HH21      ARG  16  86.728   3.477 -14.853
   35   HH22  ARG  16          HH22      ARG  16  85.406   4.136 -15.757
   36    H    GLN  17           HN       GLN  17  90.494  -1.990 -12.315
   37    HA   GLN  17           HA       GLN  17  92.801  -1.456 -10.546
   38    HB2  GLN  17           HB2      GLN  17  93.760  -3.417 -11.977
   39    HB3  GLN  17           HB1      GLN  17  92.562  -3.774 -10.734
   40    HG2  GLN  17           HG2      GLN  17  90.790  -3.844 -12.353
   41    HG3  GLN  17           HG1      GLN  17  91.854  -3.239 -13.621
   42   HE21  GLN  17          HE21      GLN  17  94.153  -4.846 -13.108
   43   HE22  GLN  17          HE22      GLN  17  93.765  -6.470 -13.412
   44    H    ARG  18           HN       ARG  18  94.333  -0.070 -11.214
   45    HA   ARG  18           HA       ARG  18  94.907   0.193 -14.089
   46    HB2  ARG  18           HB2      ARG  18  94.215   2.561 -12.331
   47    HB3  ARG  18           HB1      ARG  18  94.741   2.633 -14.009
   48    HG2  ARG  18           HG2      ARG  18  92.729   1.286 -14.643
   49    HG3  ARG  18           HG1      ARG  18  92.188   1.375 -12.972
   50    HD2  ARG  18           HD2      ARG  18  91.060   3.142 -14.084
   51    HD3  ARG  18           HD1      ARG  18  92.360   3.905 -13.175
   52    HE   ARG  18           HE       ARG  18  93.277   3.303 -15.785
   53   HH11  ARG  18          HH11      ARG  18  93.338   4.968 -17.335
   54   HH12  ARG  18          HH12      ARG  18  92.411   6.410 -17.084
   55   HH21  ARG  18          HH21      ARG  18  91.138   5.376 -14.029
   56   HH22  ARG  18          HH22      ARG  18  91.167   6.641 -15.210
   57    H    TYR  19           HN       TYR  19  96.873   1.522 -14.476
   58    HA   TYR  19           HA       TYR  19  98.867   1.116 -12.321
   59    HB2  TYR  19           HB2      TYR  19  99.138   1.719 -15.276
   60    HB3  TYR  19           HB1      TYR  19 100.499   1.680 -14.166
   61    HD1  TYR  19           HD1      TYR  19  97.765  -0.387 -15.635
   62    HD2  TYR  19           HD2      TYR  19 101.472  -0.369 -13.462
   63    HE1  TYR  19           HE1      TYR  19  97.966  -2.841 -15.947
   64    HE2  TYR  19           HE2      TYR  19 101.668  -2.820 -13.769
   65    HH   TYR  19           HH       TYR  19  99.223  -4.776 -14.585
   66    H    LEU  20           HN       LEU  20  99.796   2.896 -11.295
   67    HA   LEU  20           HA       LEU  20  98.772   5.537 -12.090
   68    HB2  LEU  20           HB2      LEU  20  99.029   4.408  -9.625
   69    HB3  LEU  20           HB1      LEU  20 100.563   5.262  -9.716
   70    HG   LEU  20           HG       LEU  20  99.103   7.291 -10.508
   71   HD11  LEU  20          HD11      LEU  20  96.834   7.231  -9.374
   72   HD12  LEU  20          HD12      LEU  20  97.038   5.488  -9.221
   73   HD13  LEU  20          HD13      LEU  20  96.979   6.234 -10.819
   74   HD21  LEU  20          HD21      LEU  20  98.580   7.825  -8.057
   75   HD22  LEU  20          HD22      LEU  20 100.260   7.437  -8.426
   76   HD23  LEU  20          HD23      LEU  20  99.218   6.224  -7.680
   77    H    TYR  21           HN       TYR  21  99.906   6.605 -13.550
   78    HA   TYR  21           HA       TYR  21 102.874   6.545 -13.434
   79    HB2  TYR  21           HB2      TYR  21 102.285   5.217 -15.324
   80    HB3  TYR  21           HB1      TYR  21 101.026   6.345 -15.817
   81    HD1  TYR  21           HD1      TYR  21 104.708   5.960 -15.433
   82    HD2  TYR  21           HD2      TYR  21 101.511   8.207 -17.218
   83    HE1  TYR  21           HE1      TYR  21 106.351   7.200 -16.814
   84    HE2  TYR  21           HE2      TYR  21 103.156   9.433 -18.613
   85    HH   TYR  21           HH       TYR  21 105.613   8.854 -19.496
   86    H    THR  22           HN       THR  22 103.894   8.405 -13.539
   87    HA   THR  22           HA       THR  22 102.334  10.883 -13.997
   88    HB   THR  22           HB       THR  22 104.394  10.113 -11.978
   89    HG1  THR  22           HG1      THR  22 102.736  12.023 -11.244
   90   HG21  THR  22          HG21      THR  22 105.602  11.923 -12.866
   91   HG22  THR  22          HG22      THR  22 104.659  12.648 -11.564
   92   HG23  THR  22          HG23      THR  22 104.137  12.830 -13.238
   93    H    SER  23           HN       SER  23 102.954  12.120 -15.637
   94    HA   SER  23           HA       SER  23 105.116  11.347 -17.349
   95    HB2  SER  23           HB2      SER  23 103.182  13.657 -17.322
   96    HB3  SER  23           HB1      SER  23 104.492  13.570 -18.498
   97    HG   SER  23           HG       SER  23 103.455  11.206 -18.510
   98    H    GLY  24           HN       GLY  24 106.970  12.606 -17.895
   99    HA2  GLY  24           HA2      GLY  24 107.728  14.849 -16.210
  100    HA3  GLY  24           HA1      GLY  24 108.663  13.382 -15.944
  101    HA   PRO  25           HA       PRO  25 110.325  15.901 -19.588
  102    HB2  PRO  25           HB2      PRO  25 112.654  16.773 -18.455
  103    HB3  PRO  25           HB1      PRO  25 111.124  17.665 -18.320
  104    HG2  PRO  25           HG2      PRO  25 112.423  15.828 -16.346
  105    HG3  PRO  25           HG1      PRO  25 111.631  17.393 -16.075
  106    HD2  PRO  25           HD2      PRO  25 110.376  15.013 -15.589
  107    HD3  PRO  25           HD1      PRO  25 109.495  16.470 -16.100
  108    H    HIS  26           HN       HIS  26 112.255  15.405 -20.860
  109    HA   HIS  26           HA       HIS  26 112.906  12.639 -20.828
  110    HB2  HIS  26           HB2      HIS  26 114.359  14.866 -22.275
  111    HB3  HIS  26           HB1      HIS  26 114.403  13.147 -22.664
  112    HD2  HIS  26           HD2      HIS  26 112.236  16.242 -23.437
  113    HE1  HIS  26           HE1      HIS  26 110.075  12.883 -24.806
  114    HE2  HIS  26           HE2      HIS  26 110.183  15.420 -24.827
  115    H    GLY  27           HN       GLY  27 113.793  14.783 -18.626
  116    HA2  GLY  27           HA2      GLY  27 116.538  14.867 -18.393
  117    HA3  GLY  27           HA1      GLY  27 115.439  14.811 -17.020
  118    H    LEU  28           HN       LEU  28 114.381  12.155 -17.765
  119    HA   LEU  28           HA       LEU  28 116.744  10.428 -17.461
  120    HB2  LEU  28           HB2      LEU  28 116.017  10.991 -15.174
  121    HB3  LEU  28           HB1      LEU  28 114.399  10.404 -15.541
  122    HG   LEU  28           HG       LEU  28 115.323   8.147 -15.979
  123   HD11  LEU  28          HD11      LEU  28 117.525   8.392 -16.704
  124   HD12  LEU  28          HD12      LEU  28 117.779   7.878 -15.040
  125   HD13  LEU  28          HD13      LEU  28 117.918   9.585 -15.465
  126   HD21  LEU  28          HD21      LEU  28 114.530   8.631 -13.739
  127   HD22  LEU  28          HD22      LEU  28 116.057   9.408 -13.320
  128   HD23  LEU  28          HD23      LEU  28 116.001   7.668 -13.602
  129    H    SER  29           HN       SER  29 113.446   9.480 -16.738
  130    HA   SER  29           HA       SER  29 112.837   8.504 -19.360
  131    HB2  SER  29           HB2      SER  29 114.096   6.697 -17.341
  132    HB3  SER  29           HB1      SER  29 112.826   6.039 -18.366
  133    HG   SER  29           HG       SER  29 115.122   7.441 -19.285
  134    H    SER  30           HN       SER  30 110.972   6.711 -19.008
  135    HA   SER  30           HA       SER  30 108.810   8.072 -17.816
  136    HB2  SER  30           HB2      SER  30 109.202   5.247 -18.788
  137    HB3  SER  30           HB1      SER  30 107.691   5.743 -18.039
  138    HG   SER  30           HG       SER  30 108.134   5.970 -20.480
  139    H    CYS  31           HN       CYS  31 107.777   7.830 -15.851
  140    HA   CYS  31           HA       CYS  31 109.068   6.050 -13.856
  141    HB2  CYS  31           HB2      CYS  31 108.580   8.951 -13.789
  142    HB3  CYS  31           HB1      CYS  31 107.959   8.128 -12.368
  143    H    HIS  32           HN       HIS  32 107.735   4.500 -13.277
  144    HA   HIS  32           HA       HIS  32 104.817   5.046 -13.106
  145    HB2  HIS  32           HB2      HIS  32 106.290   2.449 -13.628
  146    HB3  HIS  32           HB1      HIS  32 104.558   2.569 -13.341
  147    HD2  HIS  32           HD2      HIS  32 107.146   3.800 -16.098
  148    HE1  HIS  32           HE1      HIS  32 103.265   3.829 -17.749
  149    HE2  HIS  32           HE2      HIS  32 105.730   4.160 -18.257
  150    H    LEU  33           HN       LEU  33 104.093   5.158 -11.070
  151    HA   LEU  33           HA       LEU  33 105.625   4.811  -8.786
  152    HB2  LEU  33           HB2      LEU  33 103.196   5.814  -9.204
  153    HB3  LEU  33           HB1      LEU  33 102.674   4.218  -8.680
  154    HG   LEU  33           HG       LEU  33 104.425   6.156  -7.133
  155   HD11  LEU  33          HD11      LEU  33 102.484   5.986  -5.511
  156   HD12  LEU  33          HD12      LEU  33 101.600   5.128  -6.772
  157   HD13  LEU  33          HD13      LEU  33 102.108   6.798  -7.031
  158   HD21  LEU  33          HD21      LEU  33 105.278   4.074  -6.485
  159   HD22  LEU  33          HD22      LEU  33 103.721   3.263  -6.669
  160   HD23  LEU  33          HD23      LEU  33 104.003   4.333  -5.298
  161    H    GLU  34           HN       GLU  34 106.314   3.060  -7.660
  162    HA   GLU  34           HA       GLU  34 104.976   0.457  -8.091
  163    HB2  GLU  34           HB2      GLU  34 106.980  -0.680  -8.530
  164    HB3  GLU  34           HB1      GLU  34 107.150   0.798  -9.471
  165    HG2  GLU  34           HG2      GLU  34 108.414   1.780  -7.487
  166    HG3  GLU  34           HG1      GLU  34 108.413   0.161  -6.789
  167    H    ILE  35           HN       ILE  35 104.733  -0.756  -6.271
  168    HA   ILE  35           HA       ILE  35 105.877   0.342  -3.759
  169    HB   ILE  35           HB       ILE  35 103.401  -1.348  -4.172
  170   HG12  ILE  35          HG12      ILE  35 103.737   1.518  -3.237
  171   HG13  ILE  35          HG11      ILE  35 103.280   1.067  -4.879
  172   HG21  ILE  35          HG21      ILE  35 104.785  -0.247  -1.710
  173   HG22  ILE  35          HG22      ILE  35 104.383  -1.928  -2.052
  174   HG23  ILE  35          HG23      ILE  35 103.102  -0.772  -1.695
  175   HD11  ILE  35          HD11      ILE  35 101.733   0.611  -2.326
  176   HD12  ILE  35          HD12      ILE  35 101.357  -0.255  -3.817
  177   HD13  ILE  35          HD13      ILE  35 101.230   1.502  -3.764
  178    H    ARG  36           HN       ARG  36 107.316  -0.801  -2.704
  179    HA   ARG  36           HA       ARG  36 108.045  -3.465  -3.632
  180    HB2  ARG  36           HB2      ARG  36 109.227  -1.359  -1.889
  181    HB3  ARG  36           HB1      ARG  36 109.760  -3.011  -1.605
  182    HG2  ARG  36           HG2      ARG  36 111.313  -2.117  -3.166
  183    HG3  ARG  36           HG1      ARG  36 110.236  -3.113  -4.137
  184    HD2  ARG  36           HD2      ARG  36 108.984  -1.158  -4.848
  185    HD3  ARG  36           HD1      ARG  36 109.901  -0.123  -3.755
  186    HE   ARG  36           HE       ARG  36 111.564  -1.549  -5.633
  187   HH11  ARG  36          HH11      ARG  36 112.593  -0.291  -7.207
  188   HH12  ARG  36          HH12      ARG  36 112.065   1.333  -7.499
  189   HH21  ARG  36          HH21      ARG  36 109.567   1.229  -5.093
  190   HH22  ARG  36          HH22      ARG  36 110.340   2.189  -6.310
  191    H    GLU  37           HN       GLU  37 108.377  -5.217  -2.141
  192    HA   GLU  37           HA       GLU  37 106.119  -5.694  -0.451
  193    HB2  GLU  37           HB2      GLU  37 108.723  -7.206  -0.812
  194    HB3  GLU  37           HB1      GLU  37 107.354  -7.789   0.135
  195    HG2  GLU  37           HG2      GLU  37 105.928  -7.754  -1.837
  196    HG3  GLU  37           HG1      GLU  37 107.236  -7.060  -2.795
  197    H    ASP  38           HN       ASP  38 109.352  -4.561  -0.099
  198    HA   ASP  38           HA       ASP  38 109.597  -4.882   2.731
  199    HB2  ASP  38           HB2      ASP  38 111.044  -3.143   0.726
  200    HB3  ASP  38           HB1      ASP  38 111.479  -3.222   2.430
  201    H    GLY  39           HN       GLY  39 107.658  -2.958   0.858
  202    HA2  GLY  39           HA2      GLY  39 106.076  -1.417   1.617
  203    HA3  GLY  39           HA1      GLY  39 106.969  -1.261   3.126
  204    H    THR  40           HN       THR  40 109.041  -1.025   0.430
  205    HA   THR  40           HA       THR  40 109.322   1.848   0.909
  206    HB   THR  40           HB       THR  40 111.163   1.517  -0.927
  207    HG1  THR  40           HG1      THR  40 110.665  -1.133  -0.076
  208   HG21  THR  40          HG21      THR  40 112.683   0.507   0.871
  209   HG22  THR  40          HG22      THR  40 111.242   0.421   1.884
  210   HG23  THR  40          HG23      THR  40 111.818   1.982   1.301
  211    H    VAL  41           HN       VAL  41 109.438   3.360  -0.959
  212    HA   VAL  41           HA       VAL  41 107.586   2.596  -3.147
  213    HB   VAL  41           HB       VAL  41 107.472   5.083  -1.429
  214   HG11  VAL  41          HG11      VAL  41 106.077   4.366  -4.016
  215   HG12  VAL  41          HG12      VAL  41 107.052   5.797  -3.676
  216   HG13  VAL  41          HG13      VAL  41 105.474   5.603  -2.914
  217   HG21  VAL  41          HG21      VAL  41 106.382   3.172  -0.405
  218   HG22  VAL  41          HG22      VAL  41 105.570   2.771  -1.918
  219   HG23  VAL  41          HG23      VAL  41 105.132   4.240  -1.044
  220    H    GLY  42           HN       GLY  42 107.945   3.497  -5.103
  221    HA2  GLY  42           HA2      GLY  42 109.660   5.701  -5.631
  222    HA3  GLY  42           HA1      GLY  42 110.516   4.182  -5.904
  223    H    CYS  43           HN       CYS  43 110.441   5.289  -8.180
  224    HA   CYS  43           HA       CYS  43 107.918   4.561  -9.554
  225    HB2  CYS  43           HB2      CYS  43 108.161   6.383 -10.891
  226    HB3  CYS  43           HB1      CYS  43 109.263   6.955  -9.646
  227    H    ALA  44           HN       ALA  44 108.116   3.643 -11.718
  228    HA   ALA  44           HA       ALA  44 110.590   2.074 -12.170
  229    HB1  ALA  44           HB1      ALA  44 109.282   0.119 -12.761
  230    HB2  ALA  44           HB2      ALA  44 107.775   0.999 -12.511
  231    HB3  ALA  44           HB3      ALA  44 108.815   0.626 -11.141
  232    H    ALA  45           HN       ALA  45 111.162   1.843 -14.319
  233    HA   ALA  45           HA       ALA  45 109.566   3.433 -16.243
  234    HB1  ALA  45           HB1      ALA  45 111.561   3.809 -17.457
  235    HB2  ALA  45           HB2      ALA  45 112.424   2.530 -16.602
  236    HB3  ALA  45           HB3      ALA  45 112.003   4.025 -15.764
  237    H    ASP  46           HN       ASP  46 110.323   0.266 -15.365
  238    HA   ASP  46           HA       ASP  46 109.966  -0.803 -18.091
  239    HB2  ASP  46           HB2      ASP  46 111.845  -1.571 -16.543
  240    HB3  ASP  46           HB1      ASP  46 110.594  -2.356 -15.584
  241    H    GLN  47           HN       GLN  47 107.943   0.291 -15.924
  242    HA   GLN  47           HA       GLN  47 105.849  -0.279 -15.097
  243    HB2  GLN  47           HB2      GLN  47 105.866  -1.398 -17.899
  244    HB3  GLN  47           HB1      GLN  47 104.413  -1.325 -16.903
  245    HG2  GLN  47           HG2      GLN  47 104.608   1.094 -16.715
  246    HG3  GLN  47           HG1      GLN  47 106.136   1.072 -17.595
  247   HE21  GLN  47          HE21      GLN  47 102.871   1.649 -18.026
  248   HE22  GLN  47          HE22      GLN  47 102.755   1.315 -19.685
  249    H    SER  48           HN       SER  48 106.132  -1.713 -13.392
  250    HA   SER  48           HA       SER  48 106.141  -4.601 -14.066
  251    HB2  SER  48           HB2      SER  48 107.407  -3.041 -11.840
  252    HB3  SER  48           HB1      SER  48 107.013  -4.738 -11.604
  253    HG   SER  48           HG       SER  48 109.008  -4.769 -12.463
  254    HA   PRO  49           HA       PRO  49 102.182  -5.251 -12.171
  255    HB2  PRO  49           HB2      PRO  49 103.481  -7.171 -10.267
  256    HB3  PRO  49           HB1      PRO  49 102.059  -7.401 -11.305
  257    HG2  PRO  49           HG2      PRO  49 104.420  -8.465 -11.934
  258    HG3  PRO  49           HG1      PRO  49 103.333  -7.825 -13.180
  259    HD2  PRO  49           HD2      PRO  49 105.870  -6.655 -12.118
  260    HD3  PRO  49           HD1      PRO  49 105.147  -6.523 -13.734
  261    H    GLU  50           HN       GLU  50 104.906  -4.816  -9.934
  262    HA   GLU  50           HA       GLU  50 103.463  -4.267  -7.607
  263    HB2  GLU  50           HB2      GLU  50 105.725  -2.512  -7.589
  264    HB3  GLU  50           HB1      GLU  50 105.573  -4.072  -6.795
  265    HG2  GLU  50           HG2      GLU  50 106.342  -5.192  -8.861
  266    HG3  GLU  50           HG1      GLU  50 106.483  -3.620  -9.648
  267    H    SER  51           HN       SER  51 103.723  -2.426 -10.495
  268    HA   SER  51           HA       SER  51 102.971   0.078  -9.226
  269    HB2  SER  51           HB2      SER  51 103.376  -0.697 -12.117
  270    HB3  SER  51           HB1      SER  51 102.934   0.918 -11.580
  271    HG   SER  51           HG       SER  51 104.890   0.462 -10.092
  272    H    LEU  52           HN       LEU  52 101.353  -2.677 -10.073
  273    HA   LEU  52           HA       LEU  52  98.965  -1.425 -11.143
  274    HB2  LEU  52           HB2      LEU  52 100.019  -3.957 -11.297
  275    HB3  LEU  52           HB1      LEU  52  98.789  -4.193 -10.059
  276    HG   LEU  52           HG       LEU  52  98.311  -2.988 -12.802
  277   HD11  LEU  52          HD11      LEU  52  97.107  -5.088 -13.240
  278   HD12  LEU  52          HD12      LEU  52  97.532  -5.669 -11.630
  279   HD13  LEU  52          HD13      LEU  52  98.793  -5.414 -12.836
  280   HD21  LEU  52          HD21      LEU  52  96.241  -3.878 -10.781
  281   HD22  LEU  52          HD22      LEU  52  95.997  -2.943 -12.255
  282   HD23  LEU  52          HD23      LEU  52  96.798  -2.208 -10.875
  283    H    LEU  53           HN       LEU  53  97.665  -0.295  -9.832
  284    HA   LEU  53           HA       LEU  53  97.366  -1.186  -7.007
  285    HB2  LEU  53           HB2      LEU  53  97.066   1.616  -8.095
  286    HB3  LEU  53           HB1      LEU  53  97.034   1.118  -6.404
  287    HG   LEU  53           HG       LEU  53  99.406   0.782  -8.263
  288   HD11  LEU  53          HD11      LEU  53  99.108   2.700  -5.941
  289   HD12  LEU  53          HD12      LEU  53  98.794   3.162  -7.614
  290   HD13  LEU  53          HD13      LEU  53 100.408   2.639  -7.131
  291   HD21  LEU  53          HD21      LEU  53 100.505   0.479  -5.884
  292   HD22  LEU  53          HD22      LEU  53  99.671  -0.878  -6.633
  293   HD23  LEU  53          HD23      LEU  53  98.864   0.068  -5.383
  294    H    GLN  54           HN       GLN  54  95.414  -1.837  -6.439
  295    HA   GLN  54           HA       GLN  54  93.180  -1.551  -8.250
  296    HB2  GLN  54           HB2      GLN  54  93.463  -2.766  -5.501
  297    HB3  GLN  54           HB1      GLN  54  91.899  -2.616  -6.300
  298    HG2  GLN  54           HG2      GLN  54  92.739  -3.890  -8.222
  299    HG3  GLN  54           HG1      GLN  54  94.319  -4.026  -7.455
  300   HE21  GLN  54          HE21      GLN  54  93.359  -6.449  -7.955
  301   HE22  GLN  54          HE22      GLN  54  92.653  -7.176  -6.593
  302    H    LEU  55           HN       LEU  55  92.034   0.217  -8.422
  303    HA   LEU  55           HA       LEU  55  92.024   2.216  -6.292
  304    HB2  LEU  55           HB2      LEU  55  92.366   2.912  -8.613
  305    HB3  LEU  55           HB1      LEU  55  90.821   2.209  -9.073
  306    HG   LEU  55           HG       LEU  55  90.569   4.079  -6.790
  307   HD11  LEU  55          HD11      LEU  55  92.442   5.181  -8.006
  308   HD12  LEU  55          HD12      LEU  55  90.959   6.136  -8.042
  309   HD13  LEU  55          HD13      LEU  55  91.448   5.211  -9.462
  310   HD21  LEU  55          HD21      LEU  55  88.746   4.981  -8.169
  311   HD22  LEU  55          HD22      LEU  55  88.654   3.220  -8.121
  312   HD23  LEU  55          HD23      LEU  55  89.299   4.031  -9.548
  313    H    LYS  56           HN       LYS  56  90.485   2.235  -4.779
  314    HA   LYS  56           HA       LYS  56  87.818   1.083  -5.423
  315    HB2  LYS  56           HB2      LYS  56  89.372   0.928  -2.827
  316    HB3  LYS  56           HB1      LYS  56  87.723   0.344  -3.063
  317    HG2  LYS  56           HG2      LYS  56  88.486  -1.221  -4.783
  318    HG3  LYS  56           HG1      LYS  56  90.124  -0.588  -4.658
  319    HD2  LYS  56           HD2      LYS  56  90.160  -2.556  -3.342
  320    HD3  LYS  56           HD1      LYS  56  90.021  -1.245  -2.173
  321    HE2  LYS  56           HE2      LYS  56  87.691  -1.650  -1.843
  322    HE3  LYS  56           HE1      LYS  56  87.594  -2.694  -3.259
  323    HZ1  LYS  56           HZ1      LYS  56  87.669  -3.901  -1.121
  324    HZ2  LYS  56           HZ2      LYS  56  89.235  -3.298  -0.862
  325    HZ3  LYS  56           HZ3      LYS  56  88.923  -4.325  -2.180
  326    H    ALA  57           HN       ALA  57  86.119   2.315  -5.008
  327    HA   ALA  57           HA       ALA  57  86.568   5.020  -4.003
  328    HB1  ALA  57           HB1      ALA  57  85.275   4.893  -5.995
  329    HB2  ALA  57           HB2      ALA  57  84.145   5.285  -4.700
  330    HB3  ALA  57           HB3      ALA  57  84.236   3.637  -5.325
  331    H    LEU  58           HN       LEU  58  86.587   5.191  -1.846
  332    HA   LEU  58           HA       LEU  58  85.017   3.522  -0.112
  333    HB2  LEU  58           HB2      LEU  58  86.400   6.143   0.519
  334    HB3  LEU  58           HB1      LEU  58  85.867   4.924   1.676
  335    HG   LEU  58           HG       LEU  58  87.967   4.523  -0.473
  336   HD11  LEU  58          HD11      LEU  58  88.109   5.450   2.326
  337   HD12  LEU  58          HD12      LEU  58  89.300   5.560   1.032
  338   HD13  LEU  58          HD13      LEU  58  89.173   4.087   1.984
  339   HD21  LEU  58          HD21      LEU  58  87.086   2.389  -0.217
  340   HD22  LEU  58          HD22      LEU  58  86.600   2.663   1.458
  341   HD23  LEU  58          HD23      LEU  58  88.296   2.378   1.066
  342    H    LYS  59           HN       LYS  59  85.050   7.050  -0.373
  343    HA   LYS  59           HA       LYS  59  82.089   7.077  -0.315
  344    HB2  LYS  59           HB2      LYS  59  83.888   9.172   0.910
  345    HB3  LYS  59           HB1      LYS  59  82.142   9.049   1.056
  346    HG2  LYS  59           HG2      LYS  59  82.493   7.901   3.001
  347    HG3  LYS  59           HG1      LYS  59  83.039   6.556   2.006
  348    HD2  LYS  59           HD2      LYS  59  84.837   6.899   3.496
  349    HD3  LYS  59           HD1      LYS  59  85.354   7.744   2.038
  350    HE2  LYS  59           HE2      LYS  59  85.736   9.120   4.056
  351    HE3  LYS  59           HE1      LYS  59  84.563   9.880   2.985
  352    HZ1  LYS  59           HZ1      LYS  59  83.062   9.813   4.592
  353    HZ2  LYS  59           HZ2      LYS  59  84.229   9.176   5.650
  354    HZ3  LYS  59           HZ3      LYS  59  83.235   8.133   4.749
  355    HA   PRO  60           HA       PRO  60  82.281   9.437  -4.079
  356    HB2  PRO  60           HB2      PRO  60  80.696  11.560  -2.660
  357    HB3  PRO  60           HB1      PRO  60  80.407  10.809  -4.244
  358    HG2  PRO  60           HG2      PRO  60  78.967  10.124  -2.107
  359    HG3  PRO  60           HG1      PRO  60  79.439   8.931  -3.330
  360    HD2  PRO  60           HD2      PRO  60  80.497   9.297  -0.563
  361    HD3  PRO  60           HD1      PRO  60  80.394   7.826  -1.556
  362    H    GLY  61           HN       GLY  61  84.218  10.359  -4.550
  363    HA2  GLY  61           HA2      GLY  61  85.568  12.315  -4.761
  364    HA3  GLY  61           HA1      GLY  61  84.961  12.883  -3.213
  365    H    VAL  62           HN       VAL  62  85.448   9.951  -2.244
  366    HA   VAL  62           HA       VAL  62  88.363  10.264  -1.755
  367    HB   VAL  62           HB       VAL  62  86.254   9.096   0.075
  368   HG11  VAL  62          HG11      VAL  62  88.167   9.126   1.721
  369   HG12  VAL  62          HG12      VAL  62  89.246   9.498   0.376
  370   HG13  VAL  62          HG13      VAL  62  88.369   7.968   0.406
  371   HG21  VAL  62          HG21      VAL  62  86.805  11.081   1.484
  372   HG22  VAL  62          HG22      VAL  62  86.082  11.528  -0.060
  373   HG23  VAL  62          HG23      VAL  62  87.822  11.695   0.179
  374    H    ILE  63           HN       ILE  63  89.651   8.564  -2.229
  375    HA   ILE  63           HA       ILE  63  88.385   5.937  -2.764
  376    HB   ILE  63           HB       ILE  63  89.737   5.637  -4.728
  377   HG12  ILE  63          HG12      ILE  63  90.948   8.040  -5.390
  378   HG13  ILE  63          HG11      ILE  63  91.179   8.018  -3.646
  379   HG21  ILE  63          HG21      ILE  63  88.681   7.232  -6.175
  380   HG22  ILE  63          HG22      ILE  63  88.567   8.424  -4.882
  381   HG23  ILE  63          HG23      ILE  63  87.573   6.970  -4.828
  382   HD11  ILE  63          HD11      ILE  63  92.007   5.562  -4.045
  383   HD12  ILE  63          HD12      ILE  63  93.084   6.901  -4.437
  384   HD13  ILE  63          HD13      ILE  63  92.192   6.083  -5.717
  385    H    GLN  64           HN       GLN  64  89.960   4.173  -2.870
  386    HA   GLN  64           HA       GLN  64  92.308   4.533  -1.088
  387    HB2  GLN  64           HB2      GLN  64  90.524   3.485   0.202
  388    HB3  GLN  64           HB1      GLN  64  90.253   2.297  -1.068
  389    HG2  GLN  64           HG2      GLN  64  92.517   1.388  -0.719
  390    HG3  GLN  64           HG1      GLN  64  92.825   2.615   0.510
  391   HE21  GLN  64          HE21      GLN  64  92.581  -0.457   0.685
  392   HE22  GLN  64          HE22      GLN  64  91.446  -0.700   1.923
  393    H    ILE  65           HN       ILE  65  94.117   3.344  -1.666
  394    HA   ILE  65           HA       ILE  65  93.933   1.809  -4.197
  395    HB   ILE  65           HB       ILE  65  96.452   2.584  -4.355
  396   HG12  ILE  65          HG12      ILE  65  95.203   4.737  -2.607
  397   HG13  ILE  65          HG11      ILE  65  96.486   3.639  -2.115
  398   HG21  ILE  65          HG21      ILE  65  95.756   4.502  -5.681
  399   HG22  ILE  65          HG22      ILE  65  94.198   4.553  -4.856
  400   HG23  ILE  65          HG23      ILE  65  94.594   3.198  -5.915
  401   HD11  ILE  65          HD11      ILE  65  97.717   4.598  -4.244
  402   HD12  ILE  65          HD12      ILE  65  97.700   5.525  -2.743
  403   HD13  ILE  65          HD13      ILE  65  96.583   5.934  -4.043
  404    H    LEU  66           HN       LEU  66  94.570  -0.209  -4.157
  405    HA   LEU  66           HA       LEU  66  96.313  -1.156  -1.956
  406    HB2  LEU  66           HB2      LEU  66  94.034  -1.774  -1.448
  407    HB3  LEU  66           HB1      LEU  66  93.779  -2.384  -3.071
  408    HG   LEU  66           HG       LEU  66  94.188  -4.100  -1.213
  409   HD11  LEU  66          HD11      LEU  66  96.291  -4.647  -3.222
  410   HD12  LEU  66          HD12      LEU  66  94.720  -4.254  -3.893
  411   HD13  LEU  66          HD13      LEU  66  94.887  -5.598  -2.771
  412   HD21  LEU  66          HD21      LEU  66  97.093  -3.370  -1.582
  413   HD22  LEU  66          HD22      LEU  66  96.384  -4.452  -0.388
  414   HD23  LEU  66          HD23      LEU  66  96.125  -2.715  -0.264
  415    H    GLY  67           HN       GLY  67  98.140  -1.970  -2.743
  416    HA2  GLY  67           HA2      GLY  67  98.503  -2.561  -5.533
  417    HA3  GLY  67           HA1      GLY  67  99.704  -2.746  -4.266
  418    H    VAL  68           HN       VAL  68  98.114  -4.428  -6.540
  419    HA   VAL  68           HA       VAL  68  97.108  -6.698  -5.213
  420    HB   VAL  68           HB       VAL  68  97.138  -7.755  -7.372
  421   HG11  VAL  68          HG11      VAL  68  96.010  -6.002  -8.706
  422   HG12  VAL  68          HG12      VAL  68  96.622  -4.770  -7.599
  423   HG13  VAL  68          HG13      VAL  68  95.471  -5.982  -7.027
  424   HG21  VAL  68          HG21      VAL  68  98.260  -6.423  -9.281
  425   HG22  VAL  68          HG22      VAL  68  99.320  -7.332  -8.205
  426   HG23  VAL  68          HG23      VAL  68  99.147  -5.588  -8.005
  427    H    LYS  69           HN       LYS  69 100.330  -6.091  -6.604
  428    HA   LYS  69           HA       LYS  69 101.336  -8.681  -6.194
  429    HB2  LYS  69           HB2      LYS  69 102.424  -7.104  -7.690
  430    HB3  LYS  69           HB1      LYS  69 102.807  -6.055  -6.326
  431    HG2  LYS  69           HG2      LYS  69 104.254  -7.725  -5.354
  432    HG3  LYS  69           HG1      LYS  69 103.762  -8.918  -6.553
  433    HD2  LYS  69           HD2      LYS  69 104.767  -7.535  -8.329
  434    HD3  LYS  69           HD1      LYS  69 105.247  -6.342  -7.123
  435    HE2  LYS  69           HE2      LYS  69 106.629  -8.022  -5.985
  436    HE3  LYS  69           HE1      LYS  69 106.142  -9.238  -7.166
  437    HZ1  LYS  69           HZ1      LYS  69 107.030  -7.548  -8.866
  438    HZ2  LYS  69           HZ2      LYS  69 108.146  -8.482  -7.990
  439    HZ3  LYS  69           HZ3      LYS  69 107.853  -6.868  -7.548
  440    H    THR  70           HN       THR  70 101.742  -5.776  -4.153
  441    HA   THR  70           HA       THR  70 103.033  -7.394  -2.090
  442    HB   THR  70           HB       THR  70 103.446  -5.264  -0.977
  443    HG1  THR  70           HG1      THR  70 101.319  -4.547  -2.375
  444   HG21  THR  70          HG21      THR  70 103.969  -5.371  -3.951
  445   HG22  THR  70          HG22      THR  70 105.075  -5.750  -2.633
  446   HG23  THR  70          HG23      THR  70 104.612  -4.079  -2.939
  447    H    SER  71           HN       SER  71  99.880  -6.199  -2.808
  448    HA   SER  71           HA       SER  71  97.891  -6.359  -1.655
  449    HB2  SER  71           HB2      SER  71  97.602  -8.258  -0.375
  450    HB3  SER  71           HB1      SER  71  99.137  -8.681  -1.130
  451    HG   SER  71           HG       SER  71  99.873  -7.294   0.871
  452    H    ARG  72           HN       ARG  72  99.947  -4.319  -0.986
  453    HA   ARG  72           HA       ARG  72  99.287  -3.783   1.846
  454    HB2  ARG  72           HB2      ARG  72 101.512  -2.725   0.089
  455    HB3  ARG  72           HB1      ARG  72 101.196  -2.204   1.740
  456    HG2  ARG  72           HG2      ARG  72 101.396  -4.633   2.432
  457    HG3  ARG  72           HG1      ARG  72 101.989  -4.976   0.813
  458    HD2  ARG  72           HD2      ARG  72 103.644  -2.936   1.394
  459    HD3  ARG  72           HD1      ARG  72 103.315  -3.476   3.038
  460    HE   ARG  72           HE       ARG  72 105.042  -4.746   1.223
  461   HH11  ARG  72          HH11      ARG  72 105.762  -6.859   1.621
  462   HH12  ARG  72          HH12      ARG  72 104.884  -7.870   2.719
  463   HH21  ARG  72          HH21      ARG  72 102.500  -5.479   3.447
  464   HH22  ARG  72          HH22      ARG  72 103.045  -7.092   3.739
  465    H    PHE  73           HN       PHE  73  98.473  -1.798   2.442
  466    HA   PHE  73           HA       PHE  73  97.045  -0.344   0.330
  467    HB2  PHE  73           HB2      PHE  73  96.973   0.063   3.336
  468    HB3  PHE  73           HB1      PHE  73  95.825   0.688   2.154
  469    HD1  PHE  73           HD1      PHE  73  96.748  -2.127   4.234
  470    HD2  PHE  73           HD2      PHE  73  94.426  -0.965   0.802
  471    HE1  PHE  73           HE1      PHE  73  95.413  -4.208   4.427
  472    HE2  PHE  73           HE2      PHE  73  93.099  -3.050   1.001
  473    HZ   PHE  73           HZ       PHE  73  93.590  -4.665   2.812
  474    H    LEU  74           HN       LEU  74  98.145   1.280  -0.631
  475    HA   LEU  74           HA       LEU  74 100.447   2.493   0.527
  476    HB2  LEU  74           HB2      LEU  74 100.315   2.441  -1.850
  477    HB3  LEU  74           HB1      LEU  74  98.741   3.220  -1.855
  478    HG   LEU  74           HG       LEU  74  99.695   5.309  -1.088
  479   HD11  LEU  74          HD11      LEU  74 102.271   5.384  -0.863
  480   HD12  LEU  74          HD12      LEU  74 102.180   3.630  -0.706
  481   HD13  LEU  74          HD13      LEU  74 101.366   4.666   0.466
  482   HD21  LEU  74          HD21      LEU  74 101.608   4.227  -3.168
  483   HD22  LEU  74          HD22      LEU  74 101.019   5.879  -2.992
  484   HD23  LEU  74          HD23      LEU  74  99.927   4.608  -3.536
  485    H    CYS  75           HN       CYS  75 100.402   3.766   2.218
  486    HA   CYS  75           HA       CYS  75  98.257   5.793   2.449
  487    HB2  CYS  75           HB2      CYS  75  99.626   4.408   4.756
  488    HB3  CYS  75           HB1      CYS  75  98.233   5.490   4.825
  489    H    GLN  76           HN       GLN  76  98.851   7.789   3.413
  490    HA   GLN  76           HA       GLN  76 101.701   8.424   2.987
  491    HB2  GLN  76           HB2      GLN  76 100.056   9.645   1.633
  492    HB3  GLN  76           HB1      GLN  76  99.288  10.245   3.103
  493    HG2  GLN  76           HG2      GLN  76 101.323  11.412   3.747
  494    HG3  GLN  76           HG1      GLN  76 102.193  10.709   2.387
  495   HE21  GLN  76          HE21      GLN  76 102.295  12.037   0.573
  496   HE22  GLN  76          HE22      GLN  76 101.181  13.263   0.211
  497    H    ARG  77           HN       ARG  77 102.945   8.939   4.519
  498    HA   ARG  77           HA       ARG  77 102.340   8.889   7.268
  499    HB2  ARG  77           HB2      ARG  77 104.512   8.370   6.063
  500    HB3  ARG  77           HB1      ARG  77 104.722  10.104   5.865
  501    HG2  ARG  77           HG2      ARG  77 104.808  10.427   8.260
  502    HG3  ARG  77           HG1      ARG  77 104.399   8.729   8.543
  503    HD2  ARG  77           HD2      ARG  77 106.454   8.025   7.401
  504    HD3  ARG  77           HD1      ARG  77 106.859   9.703   7.065
  505    HE   ARG  77           HE       ARG  77 106.548   9.518   9.825
  506   HH11  ARG  77          HH11      ARG  77 108.368   9.212  11.169
  507   HH12  ARG  77          HH12      ARG  77 109.807   8.507  10.511
  508   HH21  ARG  77          HH21      ARG  77 108.502   8.129   7.328
  509   HH22  ARG  77          HH22      ARG  77 109.881   7.893   8.348
  510    HA   PRO  78           HA       PRO  78 100.853  13.120   7.814
  511    HB2  PRO  78           HB2      PRO  78 102.670  13.168  10.206
  512    HB3  PRO  78           HB1      PRO  78 100.958  13.626  10.087
  513    HG2  PRO  78           HG2      PRO  78 101.703  11.322  11.202
  514    HG3  PRO  78           HG1      PRO  78 100.231  11.440  10.220
  515    HD2  PRO  78           HD2      PRO  78 102.857  10.182   9.532
  516    HD3  PRO  78           HD1      PRO  78 101.218   9.761   8.986
  517    H    ASP  79           HN       ASP  79 104.261  12.310   8.118
  518    HA   ASP  79           HA       ASP  79 105.304  14.937   7.765
  519    HB2  ASP  79           HB2      ASP  79 106.533  12.938   8.722
  520    HB3  ASP  79           HB1      ASP  79 106.690  12.344   7.070
  521    H    GLY  80           HN       GLY  80 103.637  12.955   5.687
  522    HA2  GLY  80           HA2      GLY  80 103.035  13.501   3.479
  523    HA3  GLY  80           HA1      GLY  80 104.465  14.521   3.355
  524    H    ALA  81           HN       ALA  81 105.120  11.494   4.757
  525    HA   ALA  81           HA       ALA  81 106.562  10.646   2.362
  526    HB1  ALA  81           HB1      ALA  81 107.854   9.358   3.775
  527    HB2  ALA  81           HB2      ALA  81 106.503   8.964   4.840
  528    HB3  ALA  81           HB3      ALA  81 107.275  10.545   4.940
  529    H    LEU  82           HN       LEU  82 106.280   8.575   1.407
  530    HA   LEU  82           HA       LEU  82 103.543   7.462   1.715
  531    HB2  LEU  82           HB2      LEU  82 105.252   8.003  -0.670
  532    HB3  LEU  82           HB1      LEU  82 104.329   6.506  -0.712
  533    HG   LEU  82           HG       LEU  82 102.256   7.842  -0.192
  534   HD11  LEU  82          HD11      LEU  82 102.259  10.216  -0.285
  535   HD12  LEU  82          HD12      LEU  82 103.917  10.270  -0.884
  536   HD13  LEU  82          HD13      LEU  82 103.593   9.791   0.773
  537   HD21  LEU  82          HD21      LEU  82 103.174   7.250  -2.562
  538   HD22  LEU  82          HD22      LEU  82 103.570   8.965  -2.665
  539   HD23  LEU  82          HD23      LEU  82 101.899   8.456  -2.432
  540    H    TYR  83           HN       TYR  83 103.281   5.364   2.203
  541    HA   TYR  83           HA       TYR  83 105.423   3.443   1.790
  542    HB2  TYR  83           HB2      TYR  83 105.687   2.833   4.117
  543    HB3  TYR  83           HB1      TYR  83 106.026   4.555   3.946
  544    HD1  TYR  83           HD1      TYR  83 103.801   2.049   5.376
  545    HD2  TYR  83           HD2      TYR  83 104.303   6.252   4.621
  546    HE1  TYR  83           HE1      TYR  83 102.015   2.560   7.021
  547    HE2  TYR  83           HE2      TYR  83 102.517   6.760   6.268
  548    HH   TYR  83           HH       TYR  83 100.359   5.189   7.174
  549    H    GLY  84           HN       GLY  84 104.744   1.317   1.888
  550    HA2  GLY  84           HA2      GLY  84 101.913   0.861   1.569
  551    HA3  GLY  84           HA1      GLY  84 103.189  -0.354   1.509
  552    H    SER  85           HN       SER  85 100.507  -0.008   3.066
  553    HA   SER  85           HA       SER  85 101.607  -0.674   5.752
  554    HB2  SER  85           HB2      SER  85  99.690   0.327   6.752
  555    HB3  SER  85           HB1      SER  85 100.284   1.480   5.562
  556    HG   SER  85           HG       SER  85  98.047  -0.230   5.453
  557    H    LEU  86           HN       LEU  86 100.728  -2.379   6.864
  558    HA   LEU  86           HA       LEU  86  99.364  -4.392   5.236
  559    HB2  LEU  86           HB2      LEU  86 100.766  -4.400   7.903
  560    HB3  LEU  86           HB1      LEU  86  99.749  -5.755   7.425
  561    HG   LEU  86           HG       LEU  86 102.212  -6.006   6.879
  562   HD11  LEU  86          HD11      LEU  86 100.710  -6.011   4.275
  563   HD12  LEU  86          HD12      LEU  86 100.141  -7.051   5.580
  564   HD13  LEU  86          HD13      LEU  86 101.775  -7.232   4.964
  565   HD21  LEU  86          HD21      LEU  86 103.202  -4.700   5.143
  566   HD22  LEU  86          HD22      LEU  86 102.397  -3.540   6.198
  567   HD23  LEU  86          HD23      LEU  86 101.647  -4.013   4.675
  568    H    HIS  87           HN       HIS  87  98.542  -1.901   7.297
  569    HA   HIS  87           HA       HIS  87  95.906  -3.120   7.884
  570    HB2  HIS  87           HB2      HIS  87  97.177  -3.077   9.962
  571    HB3  HIS  87           HB1      HIS  87  97.561  -1.372   9.725
  572    HD2  HIS  87           HD2      HIS  87  96.002  -0.925  12.176
  573    HE1  HIS  87           HE1      HIS  87  92.293  -1.567  10.266
  574    HE2  HIS  87           HE2      HIS  87  93.410  -0.676  12.363
  575    H    PHE  88           HN       PHE  88  94.223  -1.949   7.294
  576    HA   PHE  88           HA       PHE  88  94.569   0.401   5.737
  577    HB2  PHE  88           HB2      PHE  88  92.758  -1.144   5.274
  578    HB3  PHE  88           HB1      PHE  88  92.066  -0.863   6.873
  579    HD1  PHE  88           HD1      PHE  88  93.275   1.104   3.920
  580    HD2  PHE  88           HD2      PHE  88  90.321   0.706   7.016
  581    HE1  PHE  88           HE1      PHE  88  92.072   3.071   3.025
  582    HE2  PHE  88           HE2      PHE  88  89.116   2.677   6.114
  583    HZ   PHE  88           HZ       PHE  88  89.992   3.857   4.123
  584    H    ASP  89           HN       ASP  89  94.386   2.493   6.206
  585    HA   ASP  89           HA       ASP  89  93.333   3.333   8.820
  586    HB2  ASP  89           HB2      ASP  89  95.857   3.143   8.886
  587    HB3  ASP  89           HB1      ASP  89  95.907   4.422   7.675
  588    HA   PRO  90           HA       PRO  90  91.552   5.893   5.477
  589    HB2  PRO  90           HB2      PRO  90  89.527   7.066   6.909
  590    HB3  PRO  90           HB1      PRO  90  89.432   5.423   6.245
  591    HG2  PRO  90           HG2      PRO  90  90.044   6.299   9.030
  592    HG3  PRO  90           HG1      PRO  90  89.049   4.945   8.467
  593    HD2  PRO  90           HD2      PRO  90  91.609   4.632   9.373
  594    HD3  PRO  90           HD1      PRO  90  90.882   3.549   8.164
  595    H    GLU  91           HN       GLU  91  92.734   6.959   8.559
  596    HA   GLU  91           HA       GLU  91  92.559   9.767   8.099
  597    HB2  GLU  91           HB2      GLU  91  92.821   8.739  10.345
  598    HB3  GLU  91           HB1      GLU  91  94.467   8.278   9.912
  599    HG2  GLU  91           HG2      GLU  91  95.061  10.635   9.575
  600    HG3  GLU  91           HG1      GLU  91  93.403  11.116   9.932
  601    H    ALA  92           HN       ALA  92  94.692   7.328   6.913
  602    HA   ALA  92           HA       ALA  92  96.426   9.434   5.736
  603    HB1  ALA  92           HB1      ALA  92  97.284   6.811   6.972
  604    HB2  ALA  92           HB2      ALA  92  97.738   8.436   7.486
  605    HB3  ALA  92           HB3      ALA  92  98.328   7.799   5.949
  606    H    CYS  93           HN       CYS  93  94.928   6.272   5.435
  607    HA   CYS  93           HA       CYS  93  96.030   5.795   2.812
  608    HB2  CYS  93           HB2      CYS  93  93.772   4.298   4.124
  609    HB3  CYS  93           HB1      CYS  93  94.869   3.728   2.867
  610    H    SER  94           HN       SER  94  93.376   7.586   3.976
  611    HA   SER  94           HA       SER  94  91.715   7.211   1.637
  612    HB2  SER  94           HB2      SER  94  91.578   9.341   3.792
  613    HB3  SER  94           HB1      SER  94  90.344   9.001   2.584
  614    HG   SER  94           HG       SER  94  90.685   7.851   4.940
  615    H    PHE  95           HN       PHE  95  91.600   8.551  -0.139
  616    HA   PHE  95           HA       PHE  95  93.441  10.871  -0.241
  617    HB2  PHE  95           HB2      PHE  95  93.145   8.728  -2.349
  618    HB3  PHE  95           HB1      PHE  95  94.086  10.204  -2.522
  619    HD1  PHE  95           HD1      PHE  95  93.947   6.870  -1.029
  620    HD2  PHE  95           HD2      PHE  95  96.105  10.581  -1.129
  621    HE1  PHE  95           HE1      PHE  95  95.879   5.769   0.056
  622    HE2  PHE  95           HE2      PHE  95  98.041   9.484  -0.035
  623    HZ   PHE  95           HZ       PHE  95  97.937   7.077   0.549
  624    H    ARG  96           HN       ARG  96  92.800  12.545  -1.526
  625    HA   ARG  96           HA       ARG  96  89.992  12.496  -2.445
  626    HB2  ARG  96           HB2      ARG  96  90.661  14.283  -0.844
  627    HB3  ARG  96           HB1      ARG  96  91.853  14.852  -2.015
  628    HG2  ARG  96           HG2      ARG  96  90.086  15.297  -3.648
  629    HG3  ARG  96           HG1      ARG  96  88.875  14.645  -2.543
  630    HD2  ARG  96           HD2      ARG  96  90.646  17.009  -1.880
  631    HD3  ARG  96           HD1      ARG  96  89.023  17.160  -2.547
  632    HE   ARG  96           HE       ARG  96  88.847  15.515  -0.289
  633   HH11  ARG  96          HH11      ARG  96  88.137  16.405   1.679
  634   HH12  ARG  96          HH12      ARG  96  88.302  18.106   1.962
  635   HH21  ARG  96          HH21      ARG  96  89.714  18.759  -1.135
  636   HH22  ARG  96          HH22      ARG  96  89.192  19.435   0.371
  637    H    GLU  97           HN       GLU  97  89.546  12.604  -4.609
  638    HA   GLU  97           HA       GLU  97  91.827  12.582  -6.443
  639    HB2  GLU  97           HB2      GLU  97  90.159  11.944  -8.143
  640    HB3  GLU  97           HB1      GLU  97  90.109  10.874  -6.743
  641    HG2  GLU  97           HG2      GLU  97  88.231  12.348  -5.843
  642    HG3  GLU  97           HG1      GLU  97  88.199  13.116  -7.429
  643    H    LEU  98           HN       LEU  98  92.501  14.259  -7.540
  644    HA   LEU  98           HA       LEU  98  90.729  16.622  -7.872
  645    HB2  LEU  98           HB2      LEU  98  93.753  16.513  -7.881
  646    HB3  LEU  98           HB1      LEU  98  92.752  17.961  -7.930
  647    HG   LEU  98           HG       LEU  98  92.798  15.964  -5.645
  648   HD11  LEU  98          HD11      LEU  98  93.970  18.758  -5.809
  649   HD12  LEU  98          HD12      LEU  98  94.909  17.267  -5.894
  650   HD13  LEU  98          HD13      LEU  98  94.031  17.674  -4.420
  651   HD21  LEU  98          HD21      LEU  98  91.649  18.043  -4.527
  652   HD22  LEU  98          HD22      LEU  98  90.685  16.992  -5.562
  653   HD23  LEU  98          HD23      LEU  98  91.293  18.525  -6.187
  654    H    LEU  99           HN       LEU  99  90.112  16.982  -9.943
  655    HA   LEU  99           HA       LEU  99  91.782  15.862 -12.135
  656    HB2  LEU  99           HB2      LEU  99  88.911  15.704 -11.557
  657    HB3  LEU  99           HB1      LEU  99  89.209  16.301 -13.182
  658    HG   LEU  99           HG       LEU  99  88.977  13.800 -13.021
  659   HD11  LEU  99          HD11      LEU  99  91.789  14.409 -13.912
  660   HD12  LEU  99          HD12      LEU  99  90.422  15.128 -14.761
  661   HD13  LEU  99          HD13      LEU  99  90.579  13.375 -14.665
  662   HD21  LEU  99          HD21      LEU  99  91.739  13.599 -11.878
  663   HD22  LEU  99          HD22      LEU  99  90.400  12.466 -11.787
  664   HD23  LEU  99          HD23      LEU  99  90.409  13.895 -10.759
  665    H    LEU 100           HN       LEU 100  92.742  17.237 -13.361
  666    HA   LEU 100           HA       LEU 100  92.142  20.066 -13.265
  667    HB2  LEU 100           HB2      LEU 100  94.168  18.383 -14.740
  668    HB3  LEU 100           HB1      LEU 100  93.993  20.100 -15.063
  669    HG   LEU 100           HG       LEU 100  95.795  19.329 -13.343
  670   HD11  LEU 100          HD11      LEU 100  95.169  21.660 -13.722
  671   HD12  LEU 100          HD12      LEU 100  95.460  21.357 -12.011
  672   HD13  LEU 100          HD13      LEU 100  93.811  21.490 -12.612
  673   HD21  LEU 100          HD21      LEU 100  93.386  19.333 -11.502
  674   HD22  LEU 100          HD22      LEU 100  95.062  19.019 -11.070
  675   HD23  LEU 100          HD23      LEU 100  94.182  17.865 -12.063
  676    H    GLU 101           HN       GLU 101  91.373  21.313 -14.972
  677    HA   GLU 101           HA       GLU 101  89.373  20.191 -16.597
  678    HB2  GLU 101           HB2      GLU 101  90.938  22.759 -16.978
  679    HB3  GLU 101           HB1      GLU 101  89.421  22.356 -17.785
  680    HG2  GLU 101           HG2      GLU 101  88.291  22.191 -15.618
  681    HG3  GLU 101           HG1      GLU 101  89.809  22.542 -14.793
  682    H    ASP 102           HN       ASP 102  92.784  20.582 -16.967
  683    HA   ASP 102           HA       ASP 102  92.890  20.160 -19.805
  684    HB2  ASP 102           HB2      ASP 102  94.668  21.277 -18.359
  685    HB3  ASP 102           HB1      ASP 102  95.110  19.657 -17.835
  686    H    GLY 103           HN       GLY 103  92.369  18.123 -17.105
  687    HA2  GLY 103           HA2      GLY 103  91.610  15.873 -17.463
  688    HA3  GLY 103           HA1      GLY 103  92.683  15.749 -18.847
  689    H    TYR 104           HN       TYR 104  94.402  17.247 -16.358
  690    HA   TYR 104           HA       TYR 104  95.876  14.781 -15.853
  691    HB2  TYR 104           HB2      TYR 104  96.325  17.597 -14.796
  692    HB3  TYR 104           HB1      TYR 104  97.374  16.216 -14.485
  693    HD1  TYR 104           HD1      TYR 104  96.912  18.988 -16.573
  694    HD2  TYR 104           HD2      TYR 104  98.051  14.848 -16.715
  695    HE1  TYR 104           HE1      TYR 104  98.066  19.382 -18.728
  696    HE2  TYR 104           HE2      TYR 104  99.211  15.247 -18.873
  697    HH   TYR 104           HH       TYR 104  99.414  18.513 -20.272
  698    H    ASN 105           HN       ASN 105  95.942  13.666 -13.918
  699    HA   ASN 105           HA       ASN 105  93.891  14.456 -11.922
  700    HB2  ASN 105           HB2      ASN 105  94.995  11.684 -12.346
  701    HB3  ASN 105           HB1      ASN 105  93.555  12.158 -11.445
  702   HD21  ASN 105          HD21      ASN 105  92.152  10.834 -12.780
  703   HD22  ASN 105          HD22      ASN 105  91.786  11.267 -14.380
  704    H    VAL 106           HN       VAL 106  94.430  14.635  -9.831
  705    HA   VAL 106           HA       VAL 106  97.112  13.773  -8.959
  706    HB   VAL 106           HB       VAL 106  96.056  16.469  -8.124
  707   HG11  VAL 106          HG11      VAL 106  97.928  15.523  -6.870
  708   HG12  VAL 106          HG12      VAL 106  98.485  16.889  -7.835
  709   HG13  VAL 106          HG13      VAL 106  98.817  15.243  -8.368
  710   HG21  VAL 106          HG21      VAL 106  97.519  17.414  -9.956
  711   HG22  VAL 106          HG22      VAL 106  96.062  16.607 -10.536
  712   HG23  VAL 106          HG23      VAL 106  97.621  15.787 -10.627
  713    H    TYR 107           HN       TYR 107  97.285  13.477  -6.667
  714    HA   TYR 107           HA       TYR 107  94.654  13.162  -5.318
  715    HB2  TYR 107           HB2      TYR 107  97.103  11.399  -5.132
  716    HB3  TYR 107           HB1      TYR 107  95.648  11.227  -4.147
  717    HD1  TYR 107           HD1      TYR 107  97.142  10.648  -7.418
  718    HD2  TYR 107           HD2      TYR 107  93.451  10.754  -5.229
  719    HE1  TYR 107           HE1      TYR 107  96.020   9.415  -9.252
  720    HE2  TYR 107           HE2      TYR 107  92.324   9.518  -7.061
  721    HH   TYR 107           HH       TYR 107  92.640   8.370  -8.982
  722    H    GLN 108           HN       GLN 108  94.532  13.458  -3.121
  723    HA   GLN 108           HA       GLN 108  96.797  14.576  -1.658
  724    HB2  GLN 108           HB2      GLN 108  95.929  16.557  -2.736
  725    HB3  GLN 108           HB1      GLN 108  94.278  16.138  -2.283
  726    HG2  GLN 108           HG2      GLN 108  94.797  16.450   0.074
  727    HG3  GLN 108           HG1      GLN 108  96.500  16.715  -0.300
  728   HE21  GLN 108          HE21      GLN 108  94.473  18.595   0.953
  729   HE22  GLN 108          HE22      GLN 108  94.500  19.977  -0.033
  730    H    SER 109           HN       SER 109  96.687  13.994   0.458
  731    HA   SER 109           HA       SER 109  94.727  12.193   1.372
  732    HB2  SER 109           HB2      SER 109  95.738  12.434   3.557
  733    HB3  SER 109           HB1      SER 109  97.014  12.438   2.345
  734    HG   SER 109           HG       SER 109  96.675  14.845   2.451
  735    H    GLU 110           HN       GLU 110  92.690  12.532   1.987
  736    HA   GLU 110           HA       GLU 110  91.595  15.159   2.097
  737    HB2  GLU 110           HB2      GLU 110  89.496  14.055   2.563
  738    HB3  GLU 110           HB1      GLU 110  90.352  13.153   1.318
  739    HG2  GLU 110           HG2      GLU 110  89.739  11.404   2.722
  740    HG3  GLU 110           HG1      GLU 110  91.312  11.802   3.405
  741    H    ALA 111           HN       ALA 111  92.360  12.731   4.569
  742    HA   ALA 111           HA       ALA 111  91.220  14.117   6.747
  743    HB1  ALA 111           HB1      ALA 111  92.357  12.554   8.146
  744    HB2  ALA 111           HB2      ALA 111  93.545  12.212   6.893
  745    HB3  ALA 111           HB3      ALA 111  91.876  11.683   6.689
  746    H    HIS 112           HN       HIS 112  94.628  14.001   5.644
  747    HA   HIS 112           HA       HIS 112  95.289  16.088   7.613
  748    HB2  HIS 112           HB2      HIS 112  96.954  14.257   5.889
  749    HB3  HIS 112           HB1      HIS 112  97.651  15.573   6.829
  750    HD2  HIS 112           HD2      HIS 112  96.734  11.929   7.355
  751    HE1  HIS 112           HE1      HIS 112  96.884  13.635  11.215
  752    HE2  HIS 112           HE2      HIS 112  96.763  11.451   9.923
  753    H    GLY 113           HN       GLY 113  94.722  15.782   4.199
  754    HA2  GLY 113           HA2      GLY 113  94.625  17.503   2.617
  755    HA3  GLY 113           HA1      GLY 113  95.152  18.620   3.869
  756    H    LEU 114           HN       LEU 114  97.166  15.916   3.736
  757    HA   LEU 114           HA       LEU 114  99.379  17.467   2.815
  758    HB2  LEU 114           HB2      LEU 114  99.011  14.573   3.554
  759    HB3  LEU 114           HB1      LEU 114 100.545  15.159   2.916
  760    HG   LEU 114           HG       LEU 114  99.270  16.641   5.216
  761   HD11  LEU 114          HD11      LEU 114  99.290  14.183   5.808
  762   HD12  LEU 114          HD12      LEU 114 100.308  15.184   6.840
  763   HD13  LEU 114          HD13      LEU 114 101.038  14.204   5.570
  764   HD21  LEU 114          HD21      LEU 114 102.137  16.043   4.406
  765   HD22  LEU 114          HD22      LEU 114 101.656  17.045   5.774
  766   HD23  LEU 114          HD23      LEU 114 101.285  17.562   4.130
  767    HA   PRO 115           HA       PRO 115  98.859  16.428  -1.521
  768    HB2  PRO 115           HB2      PRO 115 101.234  17.271  -2.515
  769    HB3  PRO 115           HB1      PRO 115 100.020  18.419  -1.907
  770    HG2  PRO 115           HG2      PRO 115 102.446  17.335  -0.528
  771    HG3  PRO 115           HG1      PRO 115 101.867  19.010  -0.623
  772    HD2  PRO 115           HD2      PRO 115 101.393  17.425   1.553
  773    HD3  PRO 115           HD1      PRO 115 100.258  18.690   1.030
  774    H    LEU 116           HN       LEU 116  99.512  14.797  -3.019
  775    HA   LEU 116           HA       LEU 116 101.192  12.678  -1.843
  776    HB2  LEU 116           HB2      LEU 116  98.886  12.159  -2.643
  777    HB3  LEU 116           HB1      LEU 116  99.386  12.582  -4.275
  778    HG   LEU 116           HG       LEU 116 101.125  10.595  -2.855
  779   HD11  LEU 116          HD11      LEU 116  99.546   8.734  -3.524
  780   HD12  LEU 116          HD12      LEU 116  98.305   9.964  -3.753
  781   HD13  LEU 116          HD13      LEU 116  99.007   9.708  -2.157
  782   HD21  LEU 116          HD21      LEU 116 101.046   9.525  -5.128
  783   HD22  LEU 116          HD22      LEU 116 101.615  11.189  -5.169
  784   HD23  LEU 116          HD23      LEU 116  99.964  10.813  -5.654
  785    H    HIS 117           HN       HIS 117 103.224  12.451  -2.471
  786    HA   HIS 117           HA       HIS 117 103.999  12.846  -5.250
  787    HB2  HIS 117           HB2      HIS 117 105.769  14.463  -4.716
  788    HB3  HIS 117           HB1      HIS 117 104.182  15.121  -4.310
  789    HD2  HIS 117           HD2      HIS 117 103.839  15.737  -1.604
  790    HE1  HIS 117           HE1      HIS 117 107.431  14.020  -0.203
  791    HE2  HIS 117           HE2      HIS 117 105.431  15.444   0.445
  792    H    LEU 118           HN       LEU 118 106.028  11.919  -5.745
  793    HA   LEU 118           HA       LEU 118 106.739   9.638  -4.251
  794    HB2  LEU 118           HB2      LEU 118 108.216  11.144  -6.410
  795    HB3  LEU 118           HB1      LEU 118 108.748   9.597  -5.759
  796    HG   LEU 118           HG       LEU 118 106.020  10.069  -6.994
  797   HD11  LEU 118          HD11      LEU 118 106.861   8.998  -8.988
  798   HD12  LEU 118          HD12      LEU 118 108.417   8.678  -8.221
  799   HD13  LEU 118          HD13      LEU 118 107.944  10.335  -8.599
  800   HD21  LEU 118          HD21      LEU 118 106.391   7.414  -7.173
  801   HD22  LEU 118          HD22      LEU 118 105.712   8.154  -5.728
  802   HD23  LEU 118          HD23      LEU 118 107.416   7.706  -5.766
  803    HA   PRO 119           HA       PRO 119 109.169  11.785  -1.058
  804    HB2  PRO 119           HB2      PRO 119 110.605   9.161  -0.884
  805    HB3  PRO 119           HB1      PRO 119 109.888  10.141   0.410
  806    HG2  PRO 119           HG2      PRO 119 108.719   7.903  -0.483
  807    HG3  PRO 119           HG1      PRO 119 107.776   9.303   0.057
  808    HD2  PRO 119           HD2      PRO 119 108.244   8.318  -2.726
  809    HD3  PRO 119           HD1      PRO 119 106.859   9.205  -2.051
  810    H    GLY 120           HN       GLY 120 110.965  13.009  -1.310
  811    HA2  GLY 120           HA2      GLY 120 112.846  12.349  -3.488
  812    HA3  GLY 120           HA1      GLY 120 112.625  13.935  -2.753
  813    H    ASN 121           HN       ASN 121 112.866  11.025  -0.843
  814    HA   ASN 121           HA       ASN 121 115.281  12.064   0.459
  815    HB2  ASN 121           HB2      ASN 121 113.664   9.627   1.213
  816    HB3  ASN 121           HB1      ASN 121 114.781  10.539   2.227
  817   HD21  ASN 121          HD21      ASN 121 111.884  11.285   0.194
  818   HD22  ASN 121          HD22      ASN 121 111.161  12.295   1.351
  819    H    LYS 122           HN       LYS 122 116.639  10.006   1.343
  820    HA   LYS 122           HA       LYS 122 118.343   8.592   0.726
  821    HB2  LYS 122           HB2      LYS 122 115.933   7.439  -0.673
  822    HB3  LYS 122           HB1      LYS 122 117.508   6.647  -0.738
  823    HG2  LYS 122           HG2      LYS 122 117.580   6.551   1.715
  824    HG3  LYS 122           HG1      LYS 122 116.028   7.384   1.809
  825    HD2  LYS 122           HD2      LYS 122 114.960   5.535   0.568
  826    HD3  LYS 122           HD1      LYS 122 116.508   4.693   0.493
  827    HE2  LYS 122           HE2      LYS 122 115.186   5.519   3.089
  828    HE3  LYS 122           HE1      LYS 122 114.975   3.928   2.360
  829    HZ1  LYS 122           HZ1      LYS 122 117.605   5.117   3.060
  830    HZ2  LYS 122           HZ2      LYS 122 117.316   3.536   2.509
  831    HZ3  LYS 122           HZ3      LYS 122 116.759   4.021   4.039
  832    H    SER 123           HN       SER 123 119.720   9.942  -0.356
  833    HA   SER 123           HA       SER 123 120.725  11.014  -2.165
  834    HB2  SER 123           HB2      SER 123 121.794   9.401  -3.542
  835    HB3  SER 123           HB1      SER 123 121.574   8.640  -1.968
  836    HG   SER 123           HG       SER 123 120.197   7.288  -2.819
  837    HA   PRO 124           HA       PRO 124 116.961  11.235  -4.942
  838    HB2  PRO 124           HB2      PRO 124 116.682  13.968  -4.891
  839    HB3  PRO 124           HB1      PRO 124 115.912  12.893  -3.706
  840    HG2  PRO 124           HG2      PRO 124 118.415  14.505  -3.450
  841    HG3  PRO 124           HG1      PRO 124 117.120  14.243  -2.267
  842    HD2  PRO 124           HD2      PRO 124 119.487  12.895  -2.165
  843    HD3  PRO 124           HD1      PRO 124 117.964  12.174  -1.601
  844    H    HIS 125           HN       HIS 125 117.082  11.692  -7.149
  845    HA   HIS 125           HA       HIS 125 119.715  12.184  -8.197
  846    HB2  HIS 125           HB2      HIS 125 117.063  11.879  -9.626
  847    HB3  HIS 125           HB1      HIS 125 118.658  11.801 -10.378
  848    HD2  HIS 125           HD2      HIS 125 116.248   9.521  -8.365
  849    HE1  HIS 125           HE1      HIS 125 119.867   7.393  -8.798
  850    HE2  HIS 125           HE2      HIS 125 117.442   7.219  -8.064
  851    H    ARG 126           HN       ARG 126 120.557  14.124  -8.541
  852    HA   ARG 126           HA       ARG 126 120.680  16.440  -8.646
  853    HB2  ARG 126           HB2      ARG 126 118.873  15.695 -10.958
  854    HB3  ARG 126           HB1      ARG 126 119.631  17.277 -10.770
  855    HG2  ARG 126           HG2      ARG 126 121.854  16.242 -10.785
  856    HG3  ARG 126           HG1      ARG 126 121.123  14.640 -10.904
  857    HD2  ARG 126           HD2      ARG 126 120.074  15.294 -13.048
  858    HD3  ARG 126           HD1      ARG 126 120.853  16.870 -12.943
  859    HE   ARG 126           HE       ARG 126 122.122  14.345 -13.638
  860   HH11  ARG 126          HH11      ARG 126 124.276  14.528 -14.341
  861   HH12  ARG 126          HH12      ARG 126 125.136  16.012 -14.099
  862   HH21  ARG 126          HH21      ARG 126 122.487  17.601 -12.525
  863   HH22  ARG 126          HH22      ARG 126 124.121  17.754 -13.078
  864    H    ASP 127           HN       ASP 127 119.662  17.059  -6.722
  865    HA   ASP 127           HA       ASP 127 117.211  17.210  -5.789
  866    HB2  ASP 127           HB2      ASP 127 117.660  19.565  -5.001
  867    HB3  ASP 127           HB1      ASP 127 118.919  18.387  -4.638
  868    HA   PRO 128           HA       PRO 128 115.170  19.277  -9.339
  869    HB2  PRO 128           HB2      PRO 128 112.895  17.820  -9.396
  870    HB3  PRO 128           HB1      PRO 128 114.424  17.193 -10.046
  871    HG2  PRO 128           HG2      PRO 128 113.069  16.572  -7.465
  872    HG3  PRO 128           HG1      PRO 128 113.982  15.503  -8.546
  873    HD2  PRO 128           HD2      PRO 128 114.997  16.695  -6.212
  874    HD3  PRO 128           HD1      PRO 128 115.983  15.999  -7.513
  875    H    ALA 129           HN       ALA 129 113.235  20.597  -9.487
  876    HA   ALA 129           HA       ALA 129 111.917  21.230  -6.913
  877    HB1  ALA 129           HB1      ALA 129 113.789  22.823  -7.352
  878    HB2  ALA 129           HB2      ALA 129 112.204  23.595  -7.298
  879    HB3  ALA 129           HB3      ALA 129 112.985  23.292  -8.850
  880    HA   PRO 130           HA       PRO 130 108.944  20.861 -10.450
  881    HB2  PRO 130           HB2      PRO 130 107.109  19.251  -9.257
  882    HB3  PRO 130           HB1      PRO 130 108.593  18.613  -9.998
  883    HG2  PRO 130           HG2      PRO 130 107.998  19.140  -7.118
  884    HG3  PRO 130           HG1      PRO 130 108.835  17.763  -7.861
  885    HD2  PRO 130           HD2      PRO 130 110.150  19.866  -6.671
  886    HD3  PRO 130           HD1      PRO 130 110.865  18.887  -7.971
  887    H    ARG 131           HN       ARG 131 106.821  21.766 -10.694
  888    HA   ARG 131           HA       ARG 131 106.207  23.805  -8.678
  889    HB2  ARG 131           HB2      ARG 131 106.380  24.252 -11.186
  890    HB3  ARG 131           HB1      ARG 131 104.857  23.379 -11.346
  891    HG2  ARG 131           HG2      ARG 131 103.750  24.954  -9.842
  892    HG3  ARG 131           HG1      ARG 131 105.278  25.788  -9.554
  893    HD2  ARG 131           HD2      ARG 131 104.015  27.034 -11.216
  894    HD3  ARG 131           HD1      ARG 131 105.419  26.301 -11.984
  895    HE   ARG 131           HE       ARG 131 103.991  24.887 -13.186
  896   HH11  ARG 131          HH11      ARG 131 101.933  24.413 -14.022
  897   HH12  ARG 131          HH12      ARG 131 100.520  25.015 -13.222
  898   HH21  ARG 131          HH21      ARG 131 102.296  26.682 -10.756
  899   HH22  ARG 131          HH22      ARG 131 100.725  26.308 -11.385
  900    H    GLY 132           HN       GLY 132 104.896  23.203  -7.079
  901    HA2  GLY 132           HA2      GLY 132 103.034  22.423  -5.982
  902    HA3  GLY 132           HA1      GLY 132 102.250  22.265  -7.553
  903    HA   PRO 133           HA       PRO 133 103.094  18.014  -5.757
  904    HB2  PRO 133           HB2      PRO 133 100.293  17.543  -6.621
  905    HB3  PRO 133           HB1      PRO 133 101.049  17.211  -5.055
  906    HG2  PRO 133           HG2      PRO 133  99.283  19.210  -5.392
  907    HG3  PRO 133           HG1      PRO 133 100.645  19.335  -4.262
  908    HD2  PRO 133           HD2      PRO 133 100.349  20.543  -6.997
  909    HD3  PRO 133           HD1      PRO 133 101.086  21.234  -5.533
  910    H    ALA 134           HN       ALA 134 103.397  16.068  -7.004
  911    HA   ALA 134           HA       ALA 134 103.879  16.516  -9.778
  912    HB1  ALA 134           HB1      ALA 134 105.160  14.920  -8.309
  913    HB2  ALA 134           HB2      ALA 134 104.625  14.239  -9.844
  914    HB3  ALA 134           HB3      ALA 134 103.759  13.849  -8.359
  915    H    ARG 135           HN       ARG 135 102.716  15.982 -11.547
  916    HA   ARG 135           HA       ARG 135  99.909  15.350 -11.197
  917    HB2  ARG 135           HB2      ARG 135  99.836  15.601 -13.680
  918    HB3  ARG 135           HB1      ARG 135 100.521  17.001 -12.855
  919    HG2  ARG 135           HG2      ARG 135 102.803  16.136 -13.317
  920    HG3  ARG 135           HG1      ARG 135 102.095  14.785 -14.203
  921    HD2  ARG 135           HD2      ARG 135 101.033  16.363 -15.771
  922    HD3  ARG 135           HD1      ARG 135 101.725  17.715 -14.880
  923    HE   ARG 135           HE       ARG 135 103.097  16.025 -16.769
  924   HH11  ARG 135          HH11      ARG 135 105.279  16.521 -17.137
  925   HH12  ARG 135          HH12      ARG 135 106.134  17.530 -16.018
  926   HH21  ARG 135          HH21      ARG 135 103.397  17.993 -13.939
  927   HH22  ARG 135          HH22      ARG 135 105.063  18.377 -14.216
  928    H    PHE 136           HN       PHE 136  98.925  13.456 -11.565
  929    HA   PHE 136           HA       PHE 136 100.576  11.177 -12.513
  930    HB2  PHE 136           HB2      PHE 136  98.804  11.497 -10.138
  931    HB3  PHE 136           HB1      PHE 136  98.698   9.952 -10.982
  932    HD1  PHE 136           HD1      PHE 136 100.738  12.039  -8.778
  933    HD2  PHE 136           HD2      PHE 136 100.776   8.610 -11.373
  934    HE1  PHE 136           HE1      PHE 136 102.859  11.261  -7.739
  935    HE2  PHE 136           HE2      PHE 136 102.884   7.840 -10.335
  936    HZ   PHE 136           HZ       PHE 136 103.930   9.162  -8.526
  937    H    LEU 137           HN       LEU 137  99.566   9.590 -13.714
  938    HA   LEU 137           HA       LEU 137  96.926  10.237 -14.869
  939    HB2  LEU 137           HB2      LEU 137  99.526   9.666 -16.272
  940    HB3  LEU 137           HB1      LEU 137  97.979   9.408 -17.076
  941    HG   LEU 137           HG       LEU 137  98.446  12.052 -15.707
  942   HD11  LEU 137          HD11      LEU 137  99.501  12.949 -17.753
  943   HD12  LEU 137          HD12      LEU 137  99.547  11.325 -18.440
  944   HD13  LEU 137          HD13      LEU 137 100.507  11.705 -17.009
  945   HD21  LEU 137          HD21      LEU 137  96.260  11.437 -16.760
  946   HD22  LEU 137          HD22      LEU 137  97.086  11.279 -18.308
  947   HD23  LEU 137          HD23      LEU 137  97.001  12.850 -17.512
  948    HA   PRO 138           HA       PRO 138  96.832   5.806 -13.809
  949    HB2  PRO 138           HB2      PRO 138  94.149   5.436 -13.817
  950    HB3  PRO 138           HB1      PRO 138  94.975   6.293 -12.499
  951    HG2  PRO 138           HG2      PRO 138  93.430   7.401 -14.799
  952    HG3  PRO 138           HG1      PRO 138  93.472   7.935 -13.109
  953    HD2  PRO 138           HD2      PRO 138  94.908   9.138 -15.166
  954    HD3  PRO 138           HD1      PRO 138  95.340   9.256 -13.445
  955    H    LEU 139           HN       LEU 139  97.026   4.074 -15.161
  956    HA   LEU 139           HA       LEU 139  95.991   4.332 -17.916
  957    HB2  LEU 139           HB2      LEU 139  97.999   2.229 -17.199
  958    HB3  LEU 139           HB1      LEU 139  97.814   3.141 -18.691
  959    HG   LEU 139           HG       LEU 139  98.835   4.303 -16.078
  960   HD11  LEU 139          HD11      LEU 139 100.990   4.425 -17.454
  961   HD12  LEU 139          HD12      LEU 139 100.223   3.290 -18.565
  962   HD13  LEU 139          HD13      LEU 139 100.517   2.823 -16.890
  963   HD21  LEU 139          HD21      LEU 139  99.432   6.220 -17.522
  964   HD22  LEU 139          HD22      LEU 139  97.695   5.928 -17.553
  965   HD23  LEU 139          HD23      LEU 139  98.700   5.404 -18.901
  966    HA   PRO 140           HA       PRO 140  92.957   1.145 -16.924
  967    HB2  PRO 140           HB2      PRO 140  93.494   0.183 -19.714
  968    HB3  PRO 140           HB1      PRO 140  91.942   0.527 -18.921
  969    HG2  PRO 140           HG2      PRO 140  92.996   2.205 -20.710
  970    HG3  PRO 140           HG1      PRO 140  92.104   2.794 -19.295
  971    HD2  PRO 140           HD2      PRO 140  95.049   2.839 -19.810
  972    HD3  PRO 140           HD1      PRO 140  94.040   3.955 -18.863
  973    H    GLY 141           HN       GLY 141  93.278  -0.726 -15.869
  974    HA2  GLY 141           HA2      GLY 141  95.768  -2.201 -16.233
  975    HA3  GLY 141           HA1      GLY 141  94.600  -2.417 -14.936
  Start of MODEL    3
    1    H1   GLY  13           HT1      GLY  13  83.846   0.623 -10.654
    2    H2   GLY  13           HT2      GLY  13  82.972   1.521 -11.804
    3    H3   GLY  13           HT3      GLY  13  82.676  -0.142 -11.617
    4    HA2  GLY  13           HA2      GLY  13  81.151   1.716 -10.518
    5    HA3  GLY  13           HA1      GLY  13  81.391   0.122  -9.805
    6    H    GLN  14           HN       GLN  14  81.414   0.536  -7.663
    7    HA   GLN  14           HA       GLN  14  82.491   2.835  -6.434
    8    HB2  GLN  14           HB2      GLN  14  81.925   0.072  -5.331
    9    HB3  GLN  14           HB1      GLN  14  82.353   1.468  -4.340
   10    HG2  GLN  14           HG2      GLN  14  80.407   2.694  -5.137
   11    HG3  GLN  14           HG1      GLN  14  80.009   1.390  -6.254
   12   HE21  GLN  14          HE21      GLN  14  78.074   0.577  -5.373
   13   HE22  GLN  14          HE22      GLN  14  77.917   0.025  -3.775
   14    H    VAL  15           HN       VAL  15  83.887  -0.275  -7.289
   15    HA   VAL  15           HA       VAL  15  86.561   0.764  -6.536
   16    HB   VAL  15           HB       VAL  15  86.097  -0.857  -4.874
   17   HG11  VAL  15          HG11      VAL  15  85.066  -2.568  -7.148
   18   HG12  VAL  15          HG12      VAL  15  84.143  -1.925  -5.788
   19   HG13  VAL  15          HG13      VAL  15  85.351  -3.183  -5.518
   20   HG21  VAL  15          HG21      VAL  15  88.301  -1.074  -6.135
   21   HG22  VAL  15          HG22      VAL  15  87.570  -2.421  -7.005
   22   HG23  VAL  15          HG23      VAL  15  87.787  -2.512  -5.258
   23    H    ARG  16           HN       ARG  16  88.072   0.584  -8.039
   24    HA   ARG  16           HA       ARG  16  87.616  -1.149 -10.389
   25    HB2  ARG  16           HB2      ARG  16  86.845   1.268 -10.784
   26    HB3  ARG  16           HB1      ARG  16  88.547   1.707 -10.676
   27    HG2  ARG  16           HG2      ARG  16  88.542   1.290 -12.943
   28    HG3  ARG  16           HG1      ARG  16  88.712  -0.386 -12.442
   29    HD2  ARG  16           HD2      ARG  16  86.053   0.982 -12.944
   30    HD3  ARG  16           HD1      ARG  16  86.894  -0.020 -14.120
   31    HE   ARG  16           HE       ARG  16  86.690  -1.601 -11.874
   32   HH11  ARG  16          HH11      ARG  16  84.941  -3.020 -11.555
   33   HH12  ARG  16          HH12      ARG  16  83.432  -2.711 -12.346
   34   HH21  ARG  16          HH21      ARG  16  84.530   0.171 -13.923
   35   HH22  ARG  16          HH22      ARG  16  83.195  -0.905 -13.673
   36    H    GLN  17           HN       GLN  17  89.445  -1.865 -11.399
   37    HA   GLN  17           HA       GLN  17  91.970  -1.524  -9.910
   38    HB2  GLN  17           HB2      GLN  17  92.554  -3.596 -11.413
   39    HB3  GLN  17           HB1      GLN  17  91.501  -3.812 -10.017
   40    HG2  GLN  17           HG2      GLN  17  89.528  -3.691 -11.406
   41    HG3  GLN  17           HG1      GLN  17  90.497  -3.277 -12.820
   42   HE21  GLN  17          HE21      GLN  17  92.379  -5.065 -13.166
   43   HE22  GLN  17          HE22      GLN  17  91.830  -6.669 -13.074
   44    H    ARG  18           HN       ARG  18  93.478  -0.216 -10.781
   45    HA   ARG  18           HA       ARG  18  93.746  -0.091 -13.718
   46    HB2  ARG  18           HB2      ARG  18  93.812   2.471 -12.134
   47    HB3  ARG  18           HB1      ARG  18  93.589   2.235 -13.866
   48    HG2  ARG  18           HG2      ARG  18  91.365   1.252 -13.450
   49    HG3  ARG  18           HG1      ARG  18  91.588   1.487 -11.714
   50    HD2  ARG  18           HD2      ARG  18  91.903   3.934 -12.145
   51    HD3  ARG  18           HD1      ARG  18  91.502   3.647 -13.836
   52    HE   ARG  18           HE       ARG  18  89.451   2.601 -12.185
   53   HH11  ARG  18          HH11      ARG  18  87.528   3.785 -11.974
   54   HH12  ARG  18          HH12      ARG  18  87.504   5.468 -12.380
   55   HH21  ARG  18          HH21      ARG  18  90.857   5.578 -13.254
   56   HH22  ARG  18          HH22      ARG  18  89.390   6.484 -13.096
   57    H    TYR  19           HN       TYR  19  95.743   1.016 -14.389
   58    HA   TYR  19           HA       TYR  19  97.974   0.457 -12.514
   59    HB2  TYR  19           HB2      TYR  19  97.942   0.951 -15.506
   60    HB3  TYR  19           HB1      TYR  19  99.382   0.627 -14.552
   61    HD1  TYR  19           HD1      TYR  19  96.170  -0.815 -15.736
   62    HD2  TYR  19           HD2      TYR  19  99.973  -1.597 -13.897
   63    HE1  TYR  19           HE1      TYR  19  95.824  -3.249 -16.058
   64    HE2  TYR  19           HE2      TYR  19  99.627  -4.031 -14.214
   65    HH   TYR  19           HH       TYR  19  96.776  -5.421 -14.774
   66    H    LEU  20           HN       LEU  20  99.131   2.202 -11.688
   67    HA   LEU  20           HA       LEU  20  98.298   4.883 -12.521
   68    HB2  LEU  20           HB2      LEU  20  99.319   3.719 -10.109
   69    HB3  LEU  20           HB1      LEU  20 100.479   4.939 -10.610
   70    HG   LEU  20           HG       LEU  20  98.554   6.564 -10.837
   71   HD11  LEU  20          HD11      LEU  20  96.600   5.278 -11.039
   72   HD12  LEU  20          HD12      LEU  20  96.523   5.799  -9.360
   73   HD13  LEU  20          HD13      LEU  20  97.074   4.174  -9.751
   74   HD21  LEU  20          HD21      LEU  20  99.894   6.756  -8.882
   75   HD22  LEU  20          HD22      LEU  20  99.244   5.268  -8.193
   76   HD23  LEU  20          HD23      LEU  20  98.236   6.712  -8.282
   77    H    TYR  21           HN       TYR  21  99.194   5.803 -14.212
   78    HA   TYR  21           HA       TYR  21 102.089   5.349 -14.740
   79    HB2  TYR  21           HB2      TYR  21 100.907   4.179 -16.423
   80    HB3  TYR  21           HB1      TYR  21  99.738   5.480 -16.623
   81    HD1  TYR  21           HD1      TYR  21 103.415   4.816 -16.894
   82    HD2  TYR  21           HD2      TYR  21 100.050   7.032 -18.355
   83    HE1  TYR  21           HE1      TYR  21 104.832   5.777 -18.686
   84    HE2  TYR  21           HE2      TYR  21 101.463   8.000 -20.146
   85    HH   TYR  21           HH       TYR  21 103.870   8.435 -20.555
   86    H    THR  22           HN       THR  22 103.312   7.082 -14.805
   87    HA   THR  22           HA       THR  22 102.136   9.732 -15.403
   88    HB   THR  22           HB       THR  22 102.420   9.671 -12.999
   89    HG1  THR  22           HG1      THR  22 103.250  11.503 -14.272
   90   HG21  THR  22          HG21      THR  22 105.234   8.760 -13.607
   91   HG22  THR  22          HG22      THR  22 103.947   7.751 -12.949
   92   HG23  THR  22          HG23      THR  22 104.586   9.094 -12.003
   93    H    SER  23           HN       SER  23 103.508  11.143 -16.513
   94    HA   SER  23           HA       SER  23 106.171  10.106 -17.292
   95    HB2  SER  23           HB2      SER  23 104.654   9.564 -19.127
   96    HB3  SER  23           HB1      SER  23 104.067  11.225 -19.161
   97    HG   SER  23           HG       SER  23 106.242  10.169 -20.323
   98    H    GLY  24           HN       GLY  24 107.732  11.598 -17.176
   99    HA2  GLY  24           HA2      GLY  24 107.437  14.328 -17.809
  100    HA3  GLY  24           HA1      GLY  24 107.300  14.142 -16.064
  101    HA   PRO  25           HA       PRO  25 111.797  14.668 -17.220
  102    HB2  PRO  25           HB2      PRO  25 111.710  16.335 -14.747
  103    HB3  PRO  25           HB1      PRO  25 112.393  16.719 -16.339
  104    HG2  PRO  25           HG2      PRO  25 110.123  17.844 -15.495
  105    HG3  PRO  25           HG1      PRO  25 110.357  17.397 -17.195
  106    HD2  PRO  25           HD2      PRO  25 108.776  15.966 -15.076
  107    HD3  PRO  25           HD1      PRO  25 108.383  16.224 -16.792
  108    H    HIS  26           HN       HIS  26 113.600  13.774 -16.181
  109    HA   HIS  26           HA       HIS  26 114.800  12.448 -14.755
  110    HB2  HIS  26           HB2      HIS  26 113.836  13.918 -12.937
  111    HB3  HIS  26           HB1      HIS  26 112.564  12.713 -12.736
  112    HD2  HIS  26           HD2      HIS  26 114.030  12.427 -10.108
  113    HE1  HIS  26           HE1      HIS  26 116.878   9.856 -11.868
  114    HE2  HIS  26           HE2      HIS  26 115.927  10.685  -9.666
  115    H    GLY  27           HN       GLY  27 113.450  11.229 -16.709
  116    HA2  GLY  27           HA2      GLY  27 112.974   8.603 -15.577
  117    HA3  GLY  27           HA1      GLY  27 111.570   9.317 -16.368
  118    H    LEU  28           HN       LEU  28 114.008   7.234 -16.876
  119    HA   LEU  28           HA       LEU  28 115.110   7.955 -19.366
  120    HB2  LEU  28           HB2      LEU  28 116.020   6.157 -17.939
  121    HB3  LEU  28           HB1      LEU  28 114.577   5.194 -18.244
  122    HG   LEU  28           HG       LEU  28 115.106   5.168 -20.664
  123   HD11  LEU  28          HD11      LEU  28 117.338   6.969 -19.749
  124   HD12  LEU  28          HD12      LEU  28 116.301   7.109 -21.170
  125   HD13  LEU  28          HD13      LEU  28 117.598   5.917 -21.140
  126   HD21  LEU  28          HD21      LEU  28 117.153   3.749 -20.494
  127   HD22  LEU  28          HD22      LEU  28 115.942   3.344 -19.278
  128   HD23  LEU  28          HD23      LEU  28 117.359   4.295 -18.831
  129    H    SER  29           HN       SER  29 112.258   6.014 -18.537
  130    HA   SER  29           HA       SER  29 110.995   6.705 -21.048
  131    HB2  SER  29           HB2      SER  29 110.710   4.425 -21.813
  132    HB3  SER  29           HB1      SER  29 112.426   4.773 -21.653
  133    HG   SER  29           HG       SER  29 112.356   3.730 -19.620
  134    H    SER  30           HN       SER  30 109.016   4.770 -21.060
  135    HA   SER  30           HA       SER  30 107.029   5.713 -19.503
  136    HB2  SER  30           HB2      SER  30 106.703   3.956 -21.196
  137    HB3  SER  30           HB1      SER  30 107.460   2.784 -20.120
  138    HG   SER  30           HG       SER  30 105.663   2.662 -19.041
  139    H    CYS  31           HN       CYS  31 106.371   5.669 -17.421
  140    HA   CYS  31           HA       CYS  31 107.825   3.915 -15.525
  141    HB2  CYS  31           HB2      CYS  31 107.608   6.859 -15.553
  142    HB3  CYS  31           HB1      CYS  31 107.224   6.134 -13.997
  143    H    HIS  32           HN       HIS  32 106.541   2.630 -14.482
  144    HA   HIS  32           HA       HIS  32 103.721   3.401 -13.976
  145    HB2  HIS  32           HB2      HIS  32 105.006   0.770 -14.692
  146    HB3  HIS  32           HB1      HIS  32 103.539   0.774 -13.717
  147    HD2  HIS  32           HD2      HIS  32 101.663   0.091 -15.632
  148    HE1  HIS  32           HE1      HIS  32 102.689   3.016 -18.497
  149    HE2  HIS  32           HE2      HIS  32 101.019   1.194 -17.911
  150    H    LEU  33           HN       LEU  33 103.211   3.645 -11.904
  151    HA   LEU  33           HA       LEU  33 105.115   3.476  -9.830
  152    HB2  LEU  33           HB2      LEU  33 102.811   4.753 -10.037
  153    HB3  LEU  33           HB1      LEU  33 102.157   3.302  -9.288
  154    HG   LEU  33           HG       LEU  33 104.280   5.153  -8.168
  155   HD11  LEU  33          HD11      LEU  33 102.606   5.326  -6.309
  156   HD12  LEU  33          HD12      LEU  33 101.493   4.363  -7.280
  157   HD13  LEU  33          HD13      LEU  33 102.013   5.949  -7.848
  158   HD21  LEU  33          HD21      LEU  33 105.035   2.999  -7.530
  159   HD22  LEU  33          HD22      LEU  33 103.388   2.403  -7.286
  160   HD23  LEU  33          HD23      LEU  33 104.086   3.557  -6.154
  161    H    GLU  34           HN       GLU  34 105.900   1.707  -8.815
  162    HA   GLU  34           HA       GLU  34 104.220  -0.736  -8.699
  163    HB2  GLU  34           HB2      GLU  34 106.208  -2.093  -8.928
  164    HB3  GLU  34           HB1      GLU  34 106.135  -0.967 -10.282
  165    HG2  GLU  34           HG2      GLU  34 107.710   0.537  -9.094
  166    HG3  GLU  34           HG1      GLU  34 107.814  -0.619  -7.772
  167    H    ILE  35           HN       ILE  35 104.224  -1.919  -6.832
  168    HA   ILE  35           HA       ILE  35 105.498  -0.608  -4.481
  169    HB   ILE  35           HB       ILE  35 102.997  -2.307  -4.629
  170   HG12  ILE  35          HG12      ILE  35 103.391   0.587  -3.803
  171   HG13  ILE  35          HG11      ILE  35 102.844   0.091  -5.403
  172   HG21  ILE  35          HG21      ILE  35 104.071  -2.841  -2.566
  173   HG22  ILE  35          HG22      ILE  35 102.876  -1.615  -2.156
  174   HG23  ILE  35          HG23      ILE  35 104.575  -1.171  -2.310
  175   HD11  ILE  35          HD11      ILE  35 100.856   0.557  -4.181
  176   HD12  ILE  35          HD12      ILE  35 101.445  -0.294  -2.751
  177   HD13  ILE  35          HD13      ILE  35 100.987  -1.203  -4.193
  178    H    ARG  36           HN       ARG  36 106.961  -1.707  -3.363
  179    HA   ARG  36           HA       ARG  36 107.626  -4.437  -4.183
  180    HB2  ARG  36           HB2      ARG  36 108.958  -2.291  -2.568
  181    HB3  ARG  36           HB1      ARG  36 109.535  -3.951  -2.451
  182    HG2  ARG  36           HG2      ARG  36 110.878  -3.072  -4.159
  183    HG3  ARG  36           HG1      ARG  36 109.599  -3.850  -5.079
  184    HD2  ARG  36           HD2      ARG  36 108.410  -1.634  -5.170
  185    HD3  ARG  36           HD1      ARG  36 109.812  -0.903  -4.393
  186    HE   ARG  36           HE       ARG  36 109.643  -1.873  -7.142
  187   HH11  ARG  36          HH11      ARG  36 111.413  -1.346  -8.449
  188   HH12  ARG  36          HH12      ARG  36 112.855  -0.700  -7.735
  189   HH21  ARG  36          HH21      ARG  36 111.615  -0.804  -4.498
  190   HH22  ARG  36          HH22      ARG  36 112.969  -0.400  -5.499
  191    H    GLU  37           HN       GLU  37 108.042  -6.087  -2.623
  192    HA   GLU  37           HA       GLU  37 105.932  -6.398  -0.726
  193    HB2  GLU  37           HB2      GLU  37 106.915  -8.306  -1.959
  194    HB3  GLU  37           HB1      GLU  37 108.452  -8.036  -1.139
  195    HG2  GLU  37           HG2      GLU  37 107.415  -8.459   1.025
  196    HG3  GLU  37           HG1      GLU  37 105.839  -8.636   0.259
  197    H    ASP  38           HN       ASP  38 109.222  -5.309  -0.684
  198    HA   ASP  38           HA       ASP  38 109.587  -5.489   2.159
  199    HB2  ASP  38           HB2      ASP  38 111.066  -4.038  -0.036
  200    HB3  ASP  38           HB1      ASP  38 111.531  -3.920   1.658
  201    H    GLY  39           HN       GLY  39 107.691  -3.578   0.228
  202    HA2  GLY  39           HA2      GLY  39 106.224  -1.910   0.987
  203    HA3  GLY  39           HA1      GLY  39 107.257  -1.653   2.391
  204    H    THR  40           HN       THR  40 109.144  -1.799  -0.416
  205    HA   THR  40           HA       THR  40 109.571   1.085  -0.300
  206    HB   THR  40           HB       THR  40 111.289   0.540  -2.124
  207    HG1  THR  40           HG1      THR  40 110.743  -2.079  -1.213
  208   HG21  THR  40          HG21      THR  40 111.963   0.941   0.164
  209   HG22  THR  40          HG22      THR  40 112.859  -0.450  -0.445
  210   HG23  THR  40          HG23      THR  40 111.485  -0.690   0.632
  211    H    VAL  41           HN       VAL  41 109.662   2.332  -2.372
  212    HA   VAL  41           HA       VAL  41 107.579   1.440  -4.290
  213    HB   VAL  41           HB       VAL  41 107.844   4.116  -2.906
  214   HG11  VAL  41          HG11      VAL  41 106.271   3.311  -5.362
  215   HG12  VAL  41          HG12      VAL  41 107.397   4.657  -5.194
  216   HG13  VAL  41          HG13      VAL  41 105.838   4.706  -4.373
  217   HG21  VAL  41          HG21      VAL  41 105.572   3.645  -2.173
  218   HG22  VAL  41          HG22      VAL  41 106.592   2.265  -1.761
  219   HG23  VAL  41          HG23      VAL  41 105.517   2.184  -3.157
  220    H    GLY  42           HN       GLY  42 107.731   2.307  -6.370
  221    HA2  GLY  42           HA2      GLY  42 109.745   4.099  -7.235
  222    HA3  GLY  42           HA1      GLY  42 110.279   2.440  -7.501
  223    H    CYS  43           HN       CYS  43 110.159   3.435  -9.794
  224    HA   CYS  43           HA       CYS  43 107.421   3.189 -10.893
  225    HB2  CYS  43           HB2      CYS  43 107.944   5.047 -12.079
  226    HB3  CYS  43           HB1      CYS  43 109.541   5.067 -11.348
  227    H    ALA  44           HN       ALA  44 107.207   2.106 -12.981
  228    HA   ALA  44           HA       ALA  44 109.219  -0.011 -13.491
  229    HB1  ALA  44           HB1      ALA  44 107.559  -1.238 -12.347
  230    HB2  ALA  44           HB2      ALA  44 107.158  -1.483 -14.044
  231    HB3  ALA  44           HB3      ALA  44 106.246  -0.323 -13.080
  232    H    ALA  45           HN       ALA  45 109.513  -0.539 -15.624
  233    HA   ALA  45           HA       ALA  45 108.059   1.122 -17.618
  234    HB1  ALA  45           HB1      ALA  45 110.857  -0.034 -17.744
  235    HB2  ALA  45           HB2      ALA  45 110.456   1.654 -17.428
  236    HB3  ALA  45           HB3      ALA  45 110.084   0.938 -18.997
  237    H    ASP  46           HN       ASP  46 108.402  -1.982 -16.420
  238    HA   ASP  46           HA       ASP  46 108.007  -3.318 -19.009
  239    HB2  ASP  46           HB2      ASP  46 108.335  -4.485 -16.239
  240    HB3  ASP  46           HB1      ASP  46 108.288  -5.392 -17.750
  241    H    GLN  47           HN       GLN  47 106.104  -1.799 -16.824
  242    HA   GLN  47           HA       GLN  47 103.906  -1.999 -16.127
  243    HB2  GLN  47           HB2      GLN  47 103.707  -3.091 -18.937
  244    HB3  GLN  47           HB1      GLN  47 102.387  -2.402 -17.993
  245    HG2  GLN  47           HG2      GLN  47 103.649  -0.253 -17.883
  246    HG3  GLN  47           HG1      GLN  47 104.883  -0.954 -18.920
  247   HE21  GLN  47          HE21      GLN  47 102.123   0.946 -19.031
  248   HE22  GLN  47          HE22      GLN  47 101.676   0.659 -20.643
  249    H    SER  48           HN       SER  48 104.005  -3.624 -14.517
  250    HA   SER  48           HA       SER  48 103.045  -6.279 -15.413
  251    HB2  SER  48           HB2      SER  48 105.568  -5.717 -14.252
  252    HB3  SER  48           HB1      SER  48 104.635  -6.551 -13.015
  253    HG   SER  48           HG       SER  48 105.425  -8.170 -14.209
  254    HA   PRO  49           HA       PRO  49  99.885  -6.261 -12.352
  255    HB2  PRO  49           HB2      PRO  49 101.251  -8.400 -10.759
  256    HB3  PRO  49           HB1      PRO  49  99.591  -8.350 -11.386
  257    HG2  PRO  49           HG2      PRO  49 101.447  -9.859 -12.542
  258    HG3  PRO  49           HG1      PRO  49 100.237  -8.993 -13.508
  259    HD2  PRO  49           HD2      PRO  49 103.138  -8.346 -13.104
  260    HD3  PRO  49           HD1      PRO  49 102.116  -8.123 -14.540
  261    H    GLU  50           HN       GLU  50 103.140  -6.404 -10.970
  262    HA   GLU  50           HA       GLU  50 102.652  -5.631  -8.366
  263    HB2  GLU  50           HB2      GLU  50 104.925  -4.757  -8.328
  264    HB3  GLU  50           HB1      GLU  50 104.881  -6.258  -9.253
  265    HG2  GLU  50           HG2      GLU  50 104.685  -4.892 -11.348
  266    HG3  GLU  50           HG1      GLU  50 104.918  -3.442 -10.375
  267    H    SER  51           HN       SER  51 102.415  -3.731 -11.267
  268    HA   SER  51           HA       SER  51 102.287  -1.218  -9.799
  269    HB2  SER  51           HB2      SER  51 102.203  -1.864 -12.744
  270    HB3  SER  51           HB1      SER  51 102.045  -0.239 -12.091
  271    HG   SER  51           HG       SER  51 104.099  -1.053 -10.890
  272    H    LEU  52           HN       LEU  52 100.145  -3.628 -10.435
  273    HA   LEU  52           HA       LEU  52  97.899  -2.001 -11.234
  274    HB2  LEU  52           HB2      LEU  52  98.469  -4.702 -11.348
  275    HB3  LEU  52           HB1      LEU  52  97.327  -4.644 -10.011
  276    HG   LEU  52           HG       LEU  52  96.849  -3.435 -12.756
  277   HD11  LEU  52          HD11      LEU  52  95.144  -5.317 -12.885
  278   HD12  LEU  52          HD12      LEU  52  95.934  -6.018 -11.470
  279   HD13  LEU  52          HD13      LEU  52  96.832  -5.825 -12.978
  280   HD21  LEU  52          HD21      LEU  52  94.772  -3.965 -10.625
  281   HD22  LEU  52          HD22      LEU  52  94.675  -2.897 -12.025
  282   HD23  LEU  52          HD23      LEU  52  95.670  -2.451 -10.651
  283    H    LEU  53           HN       LEU  53  96.841  -0.704  -9.899
  284    HA   LEU  53           HA       LEU  53  96.839  -1.306  -6.989
  285    HB2  LEU  53           HB2      LEU  53  96.453   1.374  -8.333
  286    HB3  LEU  53           HB1      LEU  53  96.599   1.059  -6.604
  287    HG   LEU  53           HG       LEU  53  98.748   0.514  -8.672
  288   HD11  LEU  53          HD11      LEU  53  98.672   2.600  -6.476
  289   HD12  LEU  53          HD12      LEU  53  98.255   2.932  -8.159
  290   HD13  LEU  53          HD13      LEU  53  99.891   2.424  -7.739
  291   HD21  LEU  53          HD21      LEU  53  98.499  -0.023  -5.715
  292   HD22  LEU  53          HD22      LEU  53 100.085   0.355  -6.389
  293   HD23  LEU  53          HD23      LEU  53  99.188  -1.041  -6.982
  294    H    GLN  54           HN       GLN  54  94.953  -1.749  -6.079
  295    HA   GLN  54           HA       GLN  54  92.527  -1.644  -7.665
  296    HB2  GLN  54           HB2      GLN  54  93.371  -3.413  -5.818
  297    HB3  GLN  54           HB1      GLN  54  92.486  -2.338  -4.746
  298    HG2  GLN  54           HG2      GLN  54  90.464  -2.607  -6.077
  299    HG3  GLN  54           HG1      GLN  54  91.338  -3.593  -7.248
  300   HE21  GLN  54          HE21      GLN  54  90.548  -5.689  -6.951
  301   HE22  GLN  54          HE22      GLN  54  90.446  -6.473  -5.449
  302    H    LEU  55           HN       LEU  55  91.542   0.279  -7.868
  303    HA   LEU  55           HA       LEU  55  91.798   2.296  -5.778
  304    HB2  LEU  55           HB2      LEU  55  92.081   2.952  -8.105
  305    HB3  LEU  55           HB1      LEU  55  90.469   2.367  -8.500
  306    HG   LEU  55           HG       LEU  55  90.554   4.308  -6.233
  307   HD11  LEU  55          HD11      LEU  55  91.116   5.262  -9.056
  308   HD12  LEU  55          HD12      LEU  55  92.292   5.253  -7.742
  309   HD13  LEU  55          HD13      LEU  55  90.861   6.275  -7.636
  310   HD21  LEU  55          HD21      LEU  55  88.441   3.486  -7.233
  311   HD22  LEU  55          HD22      LEU  55  88.919   4.165  -8.790
  312   HD23  LEU  55          HD23      LEU  55  88.602   5.232  -7.421
  313    H    LYS  56           HN       LYS  56  90.387   2.557  -4.221
  314    HA   LYS  56           HA       LYS  56  87.596   1.586  -4.596
  315    HB2  LYS  56           HB2      LYS  56  89.300   1.600  -2.089
  316    HB3  LYS  56           HB1      LYS  56  87.594   1.154  -2.149
  317    HG2  LYS  56           HG2      LYS  56  88.142  -0.644  -3.773
  318    HG3  LYS  56           HG1      LYS  56  89.847  -0.218  -3.645
  319    HD2  LYS  56           HD2      LYS  56  89.781  -0.717  -1.220
  320    HD3  LYS  56           HD1      LYS  56  88.084  -1.178  -1.373
  321    HE2  LYS  56           HE2      LYS  56  89.446  -3.195  -1.468
  322    HE3  LYS  56           HE1      LYS  56  88.748  -2.898  -3.061
  323    HZ1  LYS  56           HZ1      LYS  56  91.169  -1.503  -2.870
  324    HZ2  LYS  56           HZ2      LYS  56  90.776  -2.792  -3.903
  325    HZ3  LYS  56           HZ3      LYS  56  91.452  -3.099  -2.375
  326    H    ALA  57           HN       ALA  57  85.974   2.889  -3.937
  327    HA   ALA  57           HA       ALA  57  86.686   5.690  -3.379
  328    HB1  ALA  57           HB1      ALA  57  84.123   4.364  -4.272
  329    HB2  ALA  57           HB2      ALA  57  85.197   5.371  -5.242
  330    HB3  ALA  57           HB3      ALA  57  84.271   6.086  -3.922
  331    H    LEU  58           HN       LEU  58  86.997   5.956  -1.226
  332    HA   LEU  58           HA       LEU  58  85.417   4.602   0.763
  333    HB2  LEU  58           HB2      LEU  58  87.157   7.053   1.112
  334    HB3  LEU  58           HB1      LEU  58  86.626   5.938   2.371
  335    HG   LEU  58           HG       LEU  58  88.481   5.279   0.060
  336   HD11  LEU  58          HD11      LEU  58  88.881   5.943   2.961
  337   HD12  LEU  58          HD12      LEU  58  89.872   6.361   1.565
  338   HD13  LEU  58          HD13      LEU  58  89.939   4.734   2.236
  339   HD21  LEU  58          HD21      LEU  58  87.291   3.276   0.454
  340   HD22  LEU  58          HD22      LEU  58  87.171   3.580   2.188
  341   HD23  LEU  58          HD23      LEU  58  88.714   3.107   1.478
  342    H    LYS  59           HN       LYS  59  85.877   8.074   0.255
  343    HA   LYS  59           HA       LYS  59  82.983   8.520   0.722
  344    HB2  LYS  59           HB2      LYS  59  85.240  10.372   1.504
  345    HB3  LYS  59           HB1      LYS  59  83.538  10.560   1.893
  346    HG2  LYS  59           HG2      LYS  59  83.889   9.403   3.823
  347    HG3  LYS  59           HG1      LYS  59  84.241   7.972   2.861
  348    HD2  LYS  59           HD2      LYS  59  86.105   8.387   4.351
  349    HD3  LYS  59           HD1      LYS  59  86.626   8.718   2.701
  350    HE2  LYS  59           HE2      LYS  59  87.290  10.777   3.421
  351    HE3  LYS  59           HE1      LYS  59  85.592  11.182   3.676
  352    HZ1  LYS  59           HZ1      LYS  59  87.403   9.882   5.637
  353    HZ2  LYS  59           HZ2      LYS  59  85.750  10.187   5.888
  354    HZ3  LYS  59           HZ3      LYS  59  86.837  11.479   5.698
  355    HA   PRO  60           HA       PRO  60  82.826  10.573  -3.213
  356    HB2  PRO  60           HB2      PRO  60  81.757  12.998  -1.814
  357    HB3  PRO  60           HB1      PRO  60  81.099  12.122  -3.210
  358    HG2  PRO  60           HG2      PRO  60  80.056  11.895  -0.731
  359    HG3  PRO  60           HG1      PRO  60  80.034  10.569  -1.904
  360    HD2  PRO  60           HD2      PRO  60  81.664  10.849   0.561
  361    HD3  PRO  60           HD1      PRO  60  81.200   9.384  -0.328
  362    H    GLY  61           HN       GLY  61  84.682  11.245  -4.116
  363    HA2  GLY  61           HA2      GLY  61  86.253  12.887  -4.734
  364    HA3  GLY  61           HA1      GLY  61  85.924  13.752  -3.238
  365    H    VAL  62           HN       VAL  62  86.213  10.812  -2.031
  366    HA   VAL  62           HA       VAL  62  89.181  10.896  -1.844
  367    HB   VAL  62           HB       VAL  62  87.196  10.087   0.291
  368   HG11  VAL  62          HG11      VAL  62  89.194  10.077   1.743
  369   HG12  VAL  62          HG12      VAL  62  90.207  10.417   0.342
  370   HG13  VAL  62          HG13      VAL  62  89.335   8.889   0.451
  371   HG21  VAL  62          HG21      VAL  62  88.230  12.198   1.394
  372   HG22  VAL  62          HG22      VAL  62  87.034  12.445   0.123
  373   HG23  VAL  62          HG23      VAL  62  88.751  12.623  -0.237
  374    H    ILE  63           HN       ILE  63  90.225   9.082  -2.362
  375    HA   ILE  63           HA       ILE  63  88.737   6.520  -2.474
  376    HB   ILE  63           HB       ILE  63  89.769   5.995  -4.589
  377   HG12  ILE  63          HG12      ILE  63  91.066   8.082  -5.661
  378   HG13  ILE  63          HG11      ILE  63  91.368   8.483  -3.977
  379   HG21  ILE  63          HG21      ILE  63  87.703   7.458  -4.511
  380   HG22  ILE  63          HG22      ILE  63  88.651   7.589  -5.992
  381   HG23  ILE  63          HG23      ILE  63  88.763   8.844  -4.760
  382   HD11  ILE  63          HD11      ILE  63  92.728   6.581  -5.626
  383   HD12  ILE  63          HD12      ILE  63  91.968   5.689  -4.311
  384   HD13  ILE  63          HD13      ILE  63  93.068   7.014  -3.955
  385    H    GLN  64           HN       GLN  64  90.247   4.646  -2.677
  386    HA   GLN  64           HA       GLN  64  92.829   5.071  -1.276
  387    HB2  GLN  64           HB2      GLN  64  91.181   4.247   0.345
  388    HB3  GLN  64           HB1      GLN  64  90.803   2.889  -0.709
  389    HG2  GLN  64           HG2      GLN  64  93.078   2.043  -0.507
  390    HG3  GLN  64           HG1      GLN  64  93.553   3.461   0.431
  391   HE21  GLN  64          HE21      GLN  64  94.049   1.243   1.819
  392   HE22  GLN  64          HE22      GLN  64  92.846   0.895   2.964
  393    H    ILE  65           HN       ILE  65  94.474   3.613  -1.835
  394    HA   ILE  65           HA       ILE  65  93.926   1.940  -4.222
  395    HB   ILE  65           HB       ILE  65  96.555   2.463  -4.529
  396   HG12  ILE  65          HG12      ILE  65  95.446   4.908  -3.095
  397   HG13  ILE  65          HG11      ILE  65  96.709   3.844  -2.486
  398   HG21  ILE  65          HG21      ILE  65  94.366   4.419  -5.310
  399   HG22  ILE  65          HG22      ILE  65  94.739   2.924  -6.167
  400   HG23  ILE  65          HG23      ILE  65  95.924   4.224  -6.112
  401   HD11  ILE  65          HD11      ILE  65  96.828   5.934  -4.600
  402   HD12  ILE  65          HD12      ILE  65  97.799   4.488  -4.877
  403   HD13  ILE  65          HD13      ILE  65  98.051   5.456  -3.424
  404    H    LEU  66           HN       LEU  66  94.337  -0.125  -4.039
  405    HA   LEU  66           HA       LEU  66  96.201  -1.095  -1.951
  406    HB2  LEU  66           HB2      LEU  66  93.974  -1.419  -1.124
  407    HB3  LEU  66           HB1      LEU  66  93.425  -2.069  -2.651
  408    HG   LEU  66           HG       LEU  66  93.885  -3.721  -0.739
  409   HD11  LEU  66          HD11      LEU  66  93.889  -4.136  -3.406
  410   HD12  LEU  66          HD12      LEU  66  94.209  -5.410  -2.235
  411   HD13  LEU  66          HD13      LEU  66  95.544  -4.611  -3.041
  412   HD21  LEU  66          HD21      LEU  66  96.127  -4.350  -0.255
  413   HD22  LEU  66          HD22      LEU  66  96.095  -2.589  -0.160
  414   HD23  LEU  66          HD23      LEU  66  96.766  -3.385  -1.580
  415    H    GLY  67           HN       GLY  67  97.848  -2.059  -2.916
  416    HA2  GLY  67           HA2      GLY  67  97.894  -2.867  -5.641
  417    HA3  GLY  67           HA1      GLY  67  99.128  -3.224  -4.439
  418    H    VAL  68           HN       VAL  68  97.022  -4.637  -6.521
  419    HA   VAL  68           HA       VAL  68  95.862  -6.702  -4.982
  420    HB   VAL  68           HB       VAL  68  95.337  -7.734  -7.070
  421   HG11  VAL  68          HG11      VAL  68  94.198  -5.588  -6.522
  422   HG12  VAL  68          HG12      VAL  68  94.331  -5.851  -8.262
  423   HG13  VAL  68          HG13      VAL  68  95.425  -4.725  -7.453
  424   HG21  VAL  68          HG21      VAL  68  97.609  -6.033  -8.112
  425   HG22  VAL  68          HG22      VAL  68  96.397  -6.730  -9.186
  426   HG23  VAL  68          HG23      VAL  68  97.423  -7.784  -8.216
  427    H    LYS  69           HN       LYS  69  98.903  -6.612  -6.844
  428    HA   LYS  69           HA       LYS  69  99.573  -9.322  -6.387
  429    HB2  LYS  69           HB2      LYS  69 100.622  -7.950  -8.152
  430    HB3  LYS  69           HB1      LYS  69 101.435  -6.998  -6.912
  431    HG2  LYS  69           HG2      LYS  69 102.578  -9.039  -6.093
  432    HG3  LYS  69           HG1      LYS  69 101.761  -9.984  -7.336
  433    HD2  LYS  69           HD2      LYS  69 102.858  -8.645  -9.080
  434    HD3  LYS  69           HD1      LYS  69 103.662  -7.680  -7.840
  435    HE2  LYS  69           HE2      LYS  69 104.778  -9.703  -6.985
  436    HE3  LYS  69           HE1      LYS  69 103.981 -10.670  -8.226
  437    HZ1  LYS  69           HZ1      LYS  69 105.237  -8.443  -9.413
  438    HZ2  LYS  69           HZ2      LYS  69 105.533 -10.095  -9.675
  439    HZ3  LYS  69           HZ3      LYS  69 106.364  -9.264  -8.447
  440    H    THR  70           HN       THR  70 100.556  -6.356  -4.692
  441    HA   THR  70           HA       THR  70 102.044  -7.910  -2.722
  442    HB   THR  70           HB       THR  70 102.369  -5.506  -1.761
  443    HG1  THR  70           HG1      THR  70 100.592  -4.757  -3.151
  444   HG21  THR  70          HG21      THR  70 103.430  -6.472  -4.419
  445   HG22  THR  70          HG22      THR  70 104.195  -6.587  -2.833
  446   HG23  THR  70          HG23      THR  70 104.041  -5.020  -3.624
  447    H    SER  71           HN       SER  71  98.889  -6.474  -3.005
  448    HA   SER  71           HA       SER  71  97.115  -6.417  -1.536
  449    HB2  SER  71           HB2      SER  71  96.881  -8.245  -0.154
  450    HB3  SER  71           HB1      SER  71  98.260  -8.818  -1.088
  451    HG   SER  71           HG       SER  71  99.616  -8.021   0.543
  452    H    ARG  72           HN       ARG  72  99.585  -4.674  -1.294
  453    HA   ARG  72           HA       ARG  72  99.410  -3.871   1.539
  454    HB2  ARG  72           HB2      ARG  72 101.427  -3.310  -0.641
  455    HB3  ARG  72           HB1      ARG  72 101.418  -2.456   0.899
  456    HG2  ARG  72           HG2      ARG  72 101.673  -4.566   2.110
  457    HG3  ARG  72           HG1      ARG  72 101.586  -5.462   0.596
  458    HD2  ARG  72           HD2      ARG  72 103.647  -4.417  -0.189
  459    HD3  ARG  72           HD1      ARG  72 103.696  -3.378   1.225
  460    HE   ARG  72           HE       ARG  72 104.751  -5.105   2.312
  461   HH11  ARG  72          HH11      ARG  72 105.249  -7.248   2.789
  462   HH12  ARG  72          HH12      ARG  72 104.605  -8.526   1.810
  463   HH21  ARG  72          HH21      ARG  72 102.839  -6.395  -0.273
  464   HH22  ARG  72          HH22      ARG  72 103.223  -8.041   0.092
  465    H    PHE  73           HN       PHE  73  98.702  -1.878   2.120
  466    HA   PHE  73           HA       PHE  73  97.231  -0.343   0.107
  467    HB2  PHE  73           HB2      PHE  73  97.509   0.083   3.099
  468    HB3  PHE  73           HB1      PHE  73  96.377   0.910   2.032
  469    HD1  PHE  73           HD1      PHE  73  97.077  -2.147   3.899
  470    HD2  PHE  73           HD2      PHE  73  94.561  -0.373   0.896
  471    HE1  PHE  73           HE1      PHE  73  95.443  -3.993   4.170
  472    HE2  PHE  73           HE2      PHE  73  92.932  -2.220   1.168
  473    HZ   PHE  73           HZ       PHE  73  93.372  -4.031   2.806
  474    H    LEU  74           HN       LEU  74  98.245   1.225  -0.977
  475    HA   LEU  74           HA       LEU  74 100.799   2.231  -0.170
  476    HB2  LEU  74           HB2      LEU  74 100.411   2.115  -2.508
  477    HB3  LEU  74           HB1      LEU  74  98.871   2.956  -2.376
  478    HG   LEU  74           HG       LEU  74  99.964   5.044  -1.865
  479   HD11  LEU  74          HD11      LEU  74 101.755   4.434  -0.422
  480   HD12  LEU  74          HD12      LEU  74 102.537   5.055  -1.865
  481   HD13  LEU  74          HD13      LEU  74 102.431   3.315  -1.604
  482   HD21  LEU  74          HD21      LEU  74 101.015   5.466  -3.935
  483   HD22  LEU  74          HD22      LEU  74  99.995   4.075  -4.286
  484   HD23  LEU  74          HD23      LEU  74 101.722   3.853  -4.015
  485    H    CYS  75           HN       CYS  75 100.951   3.467   1.578
  486    HA   CYS  75           HA       CYS  75  99.062   5.728   1.894
  487    HB2  CYS  75           HB2      CYS  75 100.524   4.398   4.160
  488    HB3  CYS  75           HB1      CYS  75  99.146   5.492   4.245
  489    H    GLN  76           HN       GLN  76  99.887   7.701   2.514
  490    HA   GLN  76           HA       GLN  76 102.792   8.039   2.101
  491    HB2  GLN  76           HB2      GLN  76 101.344   9.224   0.536
  492    HB3  GLN  76           HB1      GLN  76 100.500  10.001   1.874
  493    HG2  GLN  76           HG2      GLN  76 102.464  11.222   2.516
  494    HG3  GLN  76           HG1      GLN  76 103.480  10.285   1.424
  495   HE21  GLN  76          HE21      GLN  76 100.763  10.639  -0.376
  496   HE22  GLN  76          HE22      GLN  76 101.099  12.107  -1.152
  497    H    ARG  77           HN       ARG  77 104.054   8.791   3.693
  498    HA   ARG  77           HA       ARG  77 102.885   9.175   6.322
  499    HB2  ARG  77           HB2      ARG  77 105.678   9.636   6.508
  500    HB3  ARG  77           HB1      ARG  77 104.829   8.145   6.906
  501    HG2  ARG  77           HG2      ARG  77 105.064   7.399   4.569
  502    HG3  ARG  77           HG1      ARG  77 105.909   8.895   4.181
  503    HD2  ARG  77           HD2      ARG  77 107.503   7.054   4.607
  504    HD3  ARG  77           HD1      ARG  77 107.668   8.335   5.807
  505    HE   ARG  77           HE       ARG  77 105.872   6.167   6.551
  506   HH11  ARG  77          HH11      ARG  77 106.488   5.033   8.416
  507   HH12  ARG  77          HH12      ARG  77 108.098   5.196   9.031
  508   HH21  ARG  77          HH21      ARG  77 109.093   7.442   6.583
  509   HH22  ARG  77          HH22      ARG  77 109.562   6.582   8.012
  510    HA   PRO  78           HA       PRO  78 103.008  13.565   6.740
  511    HB2  PRO  78           HB2      PRO  78 105.158  13.409   8.823
  512    HB3  PRO  78           HB1      PRO  78 103.563  14.185   8.906
  513    HG2  PRO  78           HG2      PRO  78 104.023  11.888  10.157
  514    HG3  PRO  78           HG1      PRO  78 102.471  12.196   9.354
  515    HD2  PRO  78           HD2      PRO  78 104.755  10.479   8.441
  516    HD3  PRO  78           HD1      PRO  78 103.007  10.217   8.275
  517    H    ASP  79           HN       ASP  79 106.124  11.972   6.601
  518    HA   ASP  79           HA       ASP  79 107.703  14.193   5.810
  519    HB2  ASP  79           HB2      ASP  79 108.038  11.211   5.437
  520    HB3  ASP  79           HB1      ASP  79 109.260  12.390   4.970
  521    H    GLY  80           HN       GLY  80 105.293  12.404   4.248
  522    HA2  GLY  80           HA2      GLY  80 104.354  12.856   2.159
  523    HA3  GLY  80           HA1      GLY  80 105.779  13.798   1.735
  524    H    ALA  81           HN       ALA  81 106.564  10.798   3.100
  525    HA   ALA  81           HA       ALA  81 107.519   9.823   0.517
  526    HB1  ALA  81           HB1      ALA  81 109.178   9.414   2.068
  527    HB2  ALA  81           HB2      ALA  81 108.303   7.891   2.219
  528    HB3  ALA  81           HB3      ALA  81 108.038   9.184   3.390
  529    H    LEU  82           HN       LEU  82 106.865   7.965  -0.490
  530    HA   LEU  82           HA       LEU  82 104.214   6.938   0.284
  531    HB2  LEU  82           HB2      LEU  82 105.754   7.215  -2.259
  532    HB3  LEU  82           HB1      LEU  82 104.671   5.835  -2.154
  533    HG   LEU  82           HG       LEU  82 102.809   7.368  -1.558
  534   HD11  LEU  82          HD11      LEU  82 104.065   9.154  -0.504
  535   HD12  LEU  82          HD12      LEU  82 103.188   9.820  -1.882
  536   HD13  LEU  82          HD13      LEU  82 104.918   9.496  -2.008
  537   HD21  LEU  82          HD21      LEU  82 103.579   6.783  -3.998
  538   HD22  LEU  82          HD22      LEU  82 104.085   8.474  -4.059
  539   HD23  LEU  82          HD23      LEU  82 102.395   8.066  -3.759
  540    H    TYR  83           HN       TYR  83 103.884   4.873   0.941
  541    HA   TYR  83           HA       TYR  83 105.844   2.800   0.379
  542    HB2  TYR  83           HB2      TYR  83 106.414   2.287   2.641
  543    HB3  TYR  83           HB1      TYR  83 106.697   4.015   2.434
  544    HD1  TYR  83           HD1      TYR  83 104.963   1.522   4.335
  545    HD2  TYR  83           HD2      TYR  83 104.773   5.629   3.094
  546    HE1  TYR  83           HE1      TYR  83 103.359   1.996   6.164
  547    HE2  TYR  83           HE2      TYR  83 103.167   6.106   4.929
  548    HH   TYR  83           HH       TYR  83 102.678   4.987   7.275
  549    H    GLY  84           HN       GLY  84 105.087   0.687   0.842
  550    HA2  GLY  84           HA2      GLY  84 102.191   0.442   0.813
  551    HA3  GLY  84           HA1      GLY  84 103.357  -0.870   0.648
  552    H    SER  85           HN       SER  85 100.930  -0.437   2.449
  553    HA   SER  85           HA       SER  85 102.285  -1.118   5.002
  554    HB2  SER  85           HB2      SER  85 100.583   0.105   6.221
  555    HB3  SER  85           HB1      SER  85 101.360   1.188   5.073
  556    HG   SER  85           HG       SER  85  99.213  -0.183   4.055
  557    H    LEU  86           HN       LEU  86 101.148  -2.537   6.374
  558    HA   LEU  86           HA       LEU  86  99.446  -4.431   4.935
  559    HB2  LEU  86           HB2      LEU  86 100.877  -4.462   7.587
  560    HB3  LEU  86           HB1      LEU  86  99.664  -5.678   7.202
  561    HG   LEU  86           HG       LEU  86 102.017  -6.369   6.662
  562   HD11  LEU  86          HD11      LEU  86 101.387  -7.571   4.797
  563   HD12  LEU  86          HD12      LEU  86 100.610  -6.199   4.018
  564   HD13  LEU  86          HD13      LEU  86  99.797  -7.042   5.337
  565   HD21  LEU  86          HD21      LEU  86 101.830  -4.338   4.425
  566   HD22  LEU  86          HD22      LEU  86 103.221  -5.325   4.875
  567   HD23  LEU  86          HD23      LEU  86 102.682  -4.024   5.939
  568    H    HIS  87           HN       HIS  87  99.069  -1.742   6.961
  569    HA   HIS  87           HA       HIS  87  96.314  -2.585   7.689
  570    HB2  HIS  87           HB2      HIS  87  97.878  -0.504   9.205
  571    HB3  HIS  87           HB1      HIS  87  96.476  -1.437   9.727
  572    HD2  HIS  87           HD2      HIS  87  99.940  -1.470  10.759
  573    HE1  HIS  87           HE1      HIS  87  99.122  -5.590  10.345
  574    HE2  HIS  87           HE2      HIS  87 100.737  -3.892  11.320
  575    H    PHE  88           HN       PHE  88  94.673  -1.087   7.463
  576    HA   PHE  88           HA       PHE  88  95.194   1.011   5.507
  577    HB2  PHE  88           HB2      PHE  88  93.303  -0.313   4.994
  578    HB3  PHE  88           HB1      PHE  88  92.691  -0.234   6.642
  579    HD1  PHE  88           HD1      PHE  88  93.905   2.393   4.226
  580    HD2  PHE  88           HD2      PHE  88  90.677   0.961   6.677
  581    HE1  PHE  88           HE1      PHE  88  92.569   4.380   3.624
  582    HE2  PHE  88           HE2      PHE  88  89.336   2.954   6.066
  583    HZ   PHE  88           HZ       PHE  88  90.282   4.664   4.543
  584    H    ASP  89           HN       ASP  89  95.432   3.072   5.995
  585    HA   ASP  89           HA       ASP  89  94.470   4.098   8.608
  586    HB2  ASP  89           HB2      ASP  89  96.998   3.692   8.378
  587    HB3  ASP  89           HB1      ASP  89  96.990   5.047   7.254
  588    HA   PRO  90           HA       PRO  90  92.383   6.563   5.302
  589    HB2  PRO  90           HB2      PRO  90  91.195   7.817   7.751
  590    HB3  PRO  90           HB1      PRO  90  90.391   7.225   6.284
  591    HG2  PRO  90           HG2      PRO  90  90.322   5.870   8.599
  592    HG3  PRO  90           HG1      PRO  90  90.339   5.054   7.029
  593    HD2  PRO  90           HD2      PRO  90  92.522   5.303   9.043
  594    HD3  PRO  90           HD1      PRO  90  92.237   4.022   7.843
  595    H    GLU  91           HN       GLU  91  93.728   7.809   8.321
  596    HA   GLU  91           HA       GLU  91  94.013  10.506   7.542
  597    HB2  GLU  91           HB2      GLU  91  95.495   8.852   9.581
  598    HB3  GLU  91           HB1      GLU  91  95.671  10.599   9.418
  599    HG2  GLU  91           HG2      GLU  91  93.276  10.906   9.832
  600    HG3  GLU  91           HG1      GLU  91  93.052   9.159   9.928
  601    H    ALA  92           HN       ALA  92  95.659   7.839   6.288
  602    HA   ALA  92           HA       ALA  92  97.808   9.620   5.284
  603    HB1  ALA  92           HB1      ALA  92  99.451   7.813   5.577
  604    HB2  ALA  92           HB2      ALA  92  98.222   6.827   6.367
  605    HB3  ALA  92           HB3      ALA  92  98.771   8.324   7.124
  606    H    CYS  93           HN       CYS  93  95.872   6.712   4.863
  607    HA   CYS  93           HA       CYS  93  96.930   6.345   2.164
  608    HB2  CYS  93           HB2      CYS  93  95.951   4.583   4.164
  609    HB3  CYS  93           HB1      CYS  93  94.856   4.448   2.792
  610    H    SER  94           HN       SER  94  94.510   8.167   3.498
  611    HA   SER  94           HA       SER  94  92.575   7.767   1.356
  612    HB2  SER  94           HB2      SER  94  91.317   9.530   2.441
  613    HB3  SER  94           HB1      SER  94  91.869   8.408   3.678
  614    HG   SER  94           HG       SER  94  93.639   9.863   4.017
  615    H    PHE  95           HN       PHE  95  92.506   8.939  -0.497
  616    HA   PHE  95           HA       PHE  95  94.271  11.314  -0.709
  617    HB2  PHE  95           HB2      PHE  95  93.959   9.157  -2.807
  618    HB3  PHE  95           HB1      PHE  95  94.975  10.594  -2.910
  619    HD1  PHE  95           HD1      PHE  95  94.643   7.228  -1.535
  620    HD2  PHE  95           HD2      PHE  95  96.953  10.851  -1.416
  621    HE1  PHE  95           HE1      PHE  95  96.499   6.007  -0.437
  622    HE2  PHE  95           HE2      PHE  95  98.810   9.633  -0.312
  623    HZ   PHE  95           HZ       PHE  95  98.590   7.207   0.172
  624    H    ARG  96           HN       ARG  96  93.610  12.909  -2.067
  625    HA   ARG  96           HA       ARG  96  90.781  12.846  -2.896
  626    HB2  ARG  96           HB2      ARG  96  91.526  14.702  -1.415
  627    HB3  ARG  96           HB1      ARG  96  92.690  15.190  -2.647
  628    HG2  ARG  96           HG2      ARG  96  90.880  15.582  -4.246
  629    HG3  ARG  96           HG1      ARG  96  89.691  15.021  -3.070
  630    HD2  ARG  96           HD2      ARG  96  90.401  16.855  -1.536
  631    HD3  ARG  96           HD1      ARG  96  91.486  17.446  -2.791
  632    HE   ARG  96           HE       ARG  96  89.632  18.269  -3.954
  633   HH11  ARG  96          HH11      ARG  96  87.421  18.804  -4.080
  634   HH12  ARG  96          HH12      ARG  96  86.299  18.082  -2.976
  635   HH21  ARG  96          HH21      ARG  96  88.704  16.176  -1.362
  636   HH22  ARG  96          HH22      ARG  96  87.023  16.586  -1.443
  637    H    GLU  97           HN       GLU  97  90.225  13.025  -5.037
  638    HA   GLU  97           HA       GLU  97  92.416  12.730  -6.956
  639    HB2  GLU  97           HB2      GLU  97  90.589  12.240  -8.580
  640    HB3  GLU  97           HB1      GLU  97  90.611  11.156  -7.193
  641    HG2  GLU  97           HG2      GLU  97  88.856  12.613  -6.121
  642    HG3  GLU  97           HG1      GLU  97  88.758  13.511  -7.635
  643    H    LEU  98           HN       LEU  98  93.239  14.357  -8.016
  644    HA   LEU  98           HA       LEU  98  91.644  16.834  -8.394
  645    HB2  LEU  98           HB2      LEU  98  94.642  16.559  -8.642
  646    HB3  LEU  98           HB1      LEU  98  93.697  18.035  -8.480
  647    HG   LEU  98           HG       LEU  98  94.002  15.888  -6.365
  648   HD11  LEU  98          HD11      LEU  98  95.068  18.719  -6.572
  649   HD12  LEU  98          HD12      LEU  98  96.023  17.238  -6.632
  650   HD13  LEU  98          HD13      LEU  98  95.202  17.698  -5.143
  651   HD21  LEU  98          HD21      LEU  98  92.393  18.445  -6.509
  652   HD22  LEU  98          HD22      LEU  98  92.863  17.733  -4.965
  653   HD23  LEU  98          HD23      LEU  98  91.836  16.828  -6.076
  654    H    LEU  99           HN       LEU  99  90.838  16.991 -10.385
  655    HA   LEU  99           HA       LEU  99  92.265  15.652 -12.620
  656    HB2  LEU  99           HB2      LEU  99  89.761  15.158 -11.799
  657    HB3  LEU  99           HB1      LEU  99  89.409  16.539 -12.825
  658    HG   LEU  99           HG       LEU  99  89.186  14.518 -14.131
  659   HD11  LEU  99          HD11      LEU  99  90.211  16.538 -15.196
  660   HD12  LEU  99          HD12      LEU  99  90.672  15.021 -15.966
  661   HD13  LEU  99          HD13      LEU  99  91.802  15.838 -14.889
  662   HD21  LEU  99          HD21      LEU  99  90.621  12.748 -14.127
  663   HD22  LEU  99          HD22      LEU  99  91.039  13.369 -12.535
  664   HD23  LEU  99          HD23      LEU  99  92.060  13.746 -13.927
  665    H    LEU 100           HN       LEU 100  93.379  17.012 -13.849
  666    HA   LEU 100           HA       LEU 100  92.800  19.851 -13.870
  667    HB2  LEU 100           HB2      LEU 100  94.871  18.243 -15.383
  668    HB3  LEU 100           HB1      LEU 100  94.799  20.002 -15.297
  669    HG   LEU 100           HG       LEU 100  95.134  18.142 -12.921
  670   HD11  LEU 100          HD11      LEU 100  97.420  19.375 -12.879
  671   HD12  LEU 100          HD12      LEU 100  97.073  19.780 -14.559
  672   HD13  LEU 100          HD13      LEU 100  97.198  18.091 -14.066
  673   HD21  LEU 100          HD21      LEU 100  94.139  20.025 -11.975
  674   HD22  LEU 100          HD22      LEU 100  94.765  21.116 -13.211
  675   HD23  LEU 100          HD23      LEU 100  95.827  20.525 -11.933
  676    H    GLU 101           HN       GLU 101  92.230  21.081 -15.635
  677    HA   GLU 101           HA       GLU 101  90.269  20.071 -17.365
  678    HB2  GLU 101           HB2      GLU 101  92.014  22.529 -17.671
  679    HB3  GLU 101           HB1      GLU 101  90.504  22.228 -18.538
  680    HG2  GLU 101           HG2      GLU 101  90.718  22.265 -15.528
  681    HG3  GLU 101           HG1      GLU 101  90.261  23.677 -16.481
  682    H    ASP 102           HN       ASP 102  93.724  20.370 -17.643
  683    HA   ASP 102           HA       ASP 102  93.959  19.968 -20.437
  684    HB2  ASP 102           HB2      ASP 102  95.846  19.534 -18.125
  685    HB3  ASP 102           HB1      ASP 102  96.315  19.252 -19.801
  686    H    GLY 103           HN       GLY 103  92.851  17.934 -18.025
  687    HA2  GLY 103           HA2      GLY 103  92.013  15.768 -18.368
  688    HA3  GLY 103           HA1      GLY 103  92.993  15.627 -19.819
  689    H    TYR 104           HN       TYR 104  94.617  16.733 -16.964
  690    HA   TYR 104           HA       TYR 104  95.946  14.093 -16.722
  691    HB2  TYR 104           HB2      TYR 104  96.852  16.900 -16.063
  692    HB3  TYR 104           HB1      TYR 104  97.705  15.472 -15.473
  693    HD1  TYR 104           HD1      TYR 104  97.189  17.675 -18.280
  694    HD2  TYR 104           HD2      TYR 104  98.490  13.734 -17.186
  695    HE1  TYR 104           HE1      TYR 104  98.309  17.438 -20.478
  696    HE2  TYR 104           HE2      TYR 104  99.614  13.496 -19.382
  697    HH   TYR 104           HH       TYR 104 100.574  15.592 -21.194
  698    H    ASN 105           HN       ASN 105  95.964  13.012 -14.797
  699    HA   ASN 105           HA       ASN 105  94.248  14.140 -12.654
  700    HB2  ASN 105           HB2      ASN 105  94.895  11.224 -12.684
  701    HB3  ASN 105           HB1      ASN 105  93.381  12.045 -12.295
  702   HD21  ASN 105          HD21      ASN 105  91.871  11.250 -13.736
  703   HD22  ASN 105          HD22      ASN 105  92.100  11.120 -15.415
  704    H    VAL 106           HN       VAL 106  94.936  14.198 -10.571
  705    HA   VAL 106           HA       VAL 106  97.591  13.108  -9.904
  706    HB   VAL 106           HB       VAL 106  96.821  15.882  -9.009
  707   HG11  VAL 106          HG11      VAL 106  99.302  16.077  -8.823
  708   HG12  VAL 106          HG12      VAL 106  99.446  14.394  -9.335
  709   HG13  VAL 106          HG13      VAL 106  98.645  14.789  -7.814
  710   HG21  VAL 106          HG21      VAL 106  98.127  15.033 -11.598
  711   HG22  VAL 106          HG22      VAL 106  98.378  16.635 -10.906
  712   HG23  VAL 106          HG23      VAL 106  96.758  16.121 -11.379
  713    H    TYR 107           HN       TYR 107  97.928  12.859  -7.607
  714    HA   TYR 107           HA       TYR 107  95.394  12.736  -6.056
  715    HB2  TYR 107           HB2      TYR 107  97.736  10.820  -6.019
  716    HB3  TYR 107           HB1      TYR 107  96.352  10.751  -4.926
  717    HD1  TYR 107           HD1      TYR 107  97.615   9.829  -8.168
  718    HD2  TYR 107           HD2      TYR 107  94.006  10.573  -5.959
  719    HE1  TYR 107           HE1      TYR 107  96.312   8.595  -9.880
  720    HE2  TYR 107           HE2      TYR 107  92.707   9.337  -7.670
  721    HH   TYR 107           HH       TYR 107  94.128   8.323 -10.684
  722    H    GLN 108           HN       GLN 108  95.456  13.253  -3.902
  723    HA   GLN 108           HA       GLN 108  97.963  14.135  -2.668
  724    HB2  GLN 108           HB2      GLN 108  97.220  16.152  -3.805
  725    HB3  GLN 108           HB1      GLN 108  95.597  15.966  -3.150
  726    HG2  GLN 108           HG2      GLN 108  96.428  16.314  -0.881
  727    HG3  GLN 108           HG1      GLN 108  98.089  16.366  -1.469
  728   HE21  GLN 108          HE21      GLN 108  96.409  18.525  -0.110
  729   HE22  GLN 108          HE22      GLN 108  96.479  19.844  -1.175
  730    H    SER 109           HN       SER 109  97.910  13.973  -0.432
  731    HA   SER 109           HA       SER 109  95.905  12.330   0.714
  732    HB2  SER 109           HB2      SER 109  98.236  12.493   1.584
  733    HB3  SER 109           HB1      SER 109  97.874  14.117   2.159
  734    HG   SER 109           HG       SER 109  96.396  11.798   2.858
  735    H    GLU 110           HN       GLU 110  93.919  12.879   1.311
  736    HA   GLU 110           HA       GLU 110  93.043  15.589   1.323
  737    HB2  GLU 110           HB2      GLU 110  90.886  14.716   1.704
  738    HB3  GLU 110           HB1      GLU 110  91.696  13.491   0.738
  739    HG2  GLU 110           HG2      GLU 110  90.743  12.186   2.428
  740    HG3  GLU 110           HG1      GLU 110  92.359  12.467   3.071
  741    H    ALA 111           HN       ALA 111  94.104  13.351   3.783
  742    HA   ALA 111           HA       ALA 111  93.041  14.813   5.997
  743    HB1  ALA 111           HB1      ALA 111  94.086  13.222   7.361
  744    HB2  ALA 111           HB2      ALA 111  95.362  12.912   6.183
  745    HB3  ALA 111           HB3      ALA 111  93.724  12.331   5.883
  746    H    HIS 112           HN       HIS 112  96.422  14.417   4.870
  747    HA   HIS 112           HA       HIS 112  97.224  16.668   6.566
  748    HB2  HIS 112           HB2      HIS 112  98.759  14.637   4.950
  749    HB3  HIS 112           HB1      HIS 112  99.526  15.977   5.798
  750    HD2  HIS 112           HD2      HIS 112  98.258  15.909   8.714
  751    HE1  HIS 112           HE1      HIS 112  98.826  11.726   8.689
  752    HE2  HIS 112           HE2      HIS 112  98.386  13.743  10.167
  753    H    GLY 113           HN       GLY 113  96.478  16.096   3.240
  754    HA2  GLY 113           HA2      GLY 113  96.394  17.643   1.498
  755    HA3  GLY 113           HA1      GLY 113  97.023  18.855   2.607
  756    H    LEU 114           HN       LEU 114  98.805  15.930   2.438
  757    HA   LEU 114           HA       LEU 114 101.109  17.297   1.402
  758    HB2  LEU 114           HB2      LEU 114 100.511  14.580   2.486
  759    HB3  LEU 114           HB1      LEU 114 101.987  14.784   1.547
  760    HG   LEU 114           HG       LEU 114 101.369  16.770   3.731
  761   HD11  LEU 114          HD11      LEU 114 101.083  14.517   4.754
  762   HD12  LEU 114          HD12      LEU 114 102.486  15.377   5.384
  763   HD13  LEU 114          HD13      LEU 114 102.700  14.088   4.199
  764   HD21  LEU 114          HD21      LEU 114 103.715  17.104   3.735
  765   HD22  LEU 114          HD22      LEU 114 103.325  16.879   2.030
  766   HD23  LEU 114          HD23      LEU 114 104.026  15.553   2.954
  767    HA   PRO 115           HA       PRO 115  99.982  16.289  -2.915
  768    HB2  PRO 115           HB2      PRO 115 102.849  16.987  -3.421
  769    HB3  PRO 115           HB1      PRO 115 101.384  17.596  -4.217
  770    HG2  PRO 115           HG2      PRO 115 102.752  19.090  -2.474
  771    HG3  PRO 115           HG1      PRO 115 100.984  19.163  -2.581
  772    HD2  PRO 115           HD2      PRO 115 102.688  17.850  -0.496
  773    HD3  PRO 115           HD1      PRO 115 101.109  18.656  -0.338
  774    H    LEU 116           HN       LEU 116 100.370  14.521  -4.281
  775    HA   LEU 116           HA       LEU 116 101.980  12.363  -3.109
  776    HB2  LEU 116           HB2      LEU 116  99.590  12.021  -3.819
  777    HB3  LEU 116           HB1      LEU 116 100.110  12.259  -5.483
  778    HG   LEU 116           HG       LEU 116 101.811  10.291  -4.090
  779   HD11  LEU 116          HD11      LEU 116  99.899   9.632  -2.832
  780   HD12  LEU 116          HD12      LEU 116 100.014   8.486  -4.166
  781   HD13  LEU 116          HD13      LEU 116  98.833   9.795  -4.227
  782   HD21  LEU 116          HD21      LEU 116 101.630  10.686  -6.580
  783   HD22  LEU 116          HD22      LEU 116 100.028   9.953  -6.515
  784   HD23  LEU 116          HD23      LEU 116 101.451   9.003  -6.092
  785    H    HIS 117           HN       HIS 117 103.868  11.733  -3.904
  786    HA   HIS 117           HA       HIS 117 104.557  12.084  -6.704
  787    HB2  HIS 117           HB2      HIS 117 106.717  13.275  -6.042
  788    HB3  HIS 117           HB1      HIS 117 105.244  14.242  -5.984
  789    HD2  HIS 117           HD2      HIS 117 107.909  12.786  -3.512
  790    HE1  HIS 117           HE1      HIS 117 105.079  14.944  -1.241
  791    HE2  HIS 117           HE2      HIS 117 107.320  13.753  -1.158
  792    H    LEU 118           HN       LEU 118 106.385  10.811  -7.320
  793    HA   LEU 118           HA       LEU 118 106.689   8.425  -5.891
  794    HB2  LEU 118           HB2      LEU 118 108.282   9.715  -8.093
  795    HB3  LEU 118           HB1      LEU 118 108.818   8.198  -7.378
  796    HG   LEU 118           HG       LEU 118 106.067   8.647  -8.587
  797   HD11  LEU 118          HD11      LEU 118 108.037   8.734 -10.198
  798   HD12  LEU 118          HD12      LEU 118 106.846   7.474 -10.531
  799   HD13  LEU 118          HD13      LEU 118 108.373   7.060  -9.745
  800   HD21  LEU 118          HD21      LEU 118 106.428   5.954  -8.586
  801   HD22  LEU 118          HD22      LEU 118 105.691   6.808  -7.236
  802   HD23  LEU 118          HD23      LEU 118 107.394   6.364  -7.169
  803    HA   PRO 119           HA       PRO 119 109.657   9.348  -2.714
  804    HB2  PRO 119           HB2      PRO 119 111.403   7.109  -3.663
  805    HB3  PRO 119           HB1      PRO 119 110.700   7.385  -2.057
  806    HG2  PRO 119           HG2      PRO 119 109.733   5.508  -3.680
  807    HG3  PRO 119           HG1      PRO 119 108.665   6.474  -2.646
  808    HD2  PRO 119           HD2      PRO 119 109.145   6.712  -5.601
  809    HD3  PRO 119           HD1      PRO 119 107.645   6.922  -4.671
  810    H    GLY 120           HN       GLY 120 111.492  10.592  -2.445
  811    HA2  GLY 120           HA2      GLY 120 113.388  10.864  -4.702
  812    HA3  GLY 120           HA1      GLY 120 112.597  12.297  -4.048
  813    H    ASN 121           HN       ASN 121 112.882  10.294  -1.501
  814    HA   ASN 121           HA       ASN 121 114.185  10.313   0.382
  815    HB2  ASN 121           HB2      ASN 121 116.480  10.549  -1.574
  816    HB3  ASN 121           HB1      ASN 121 116.548   9.930   0.076
  817   HD21  ASN 121          HD21      ASN 121 113.631   8.959  -1.404
  818   HD22  ASN 121          HD22      ASN 121 114.118   7.407  -1.885
  819    H    LYS 122           HN       LYS 122 113.176  12.834  -0.583
  820    HA   LYS 122           HA       LYS 122 113.484  15.117  -0.383
  821    HB2  LYS 122           HB2      LYS 122 114.954  14.275   2.116
  822    HB3  LYS 122           HB1      LYS 122 114.058  15.772   1.849
  823    HG2  LYS 122           HG2      LYS 122 112.873  12.978   1.922
  824    HG3  LYS 122           HG1      LYS 122 112.709  14.203   3.179
  825    HD2  LYS 122           HD2      LYS 122 111.700  15.697   1.315
  826    HD3  LYS 122           HD1      LYS 122 111.541  14.200   0.397
  827    HE2  LYS 122           HE2      LYS 122 110.205  13.204   2.193
  828    HE3  LYS 122           HE1      LYS 122 110.373  14.676   3.150
  829    HZ1  LYS 122           HZ1      LYS 122 109.435  15.150   0.476
  830    HZ2  LYS 122           HZ2      LYS 122 108.819  15.710   1.956
  831    HZ3  LYS 122           HZ3      LYS 122 108.385  14.172   1.380
  832    H    SER 123           HN       SER 123 115.361  16.688   0.742
  833    HA   SER 123           HA       SER 123 118.014  16.064  -0.207
  834    HB2  SER 123           HB2      SER 123 116.126  17.375  -1.964
  835    HB3  SER 123           HB1      SER 123 117.457  18.470  -1.611
  836    HG   SER 123           HG       SER 123 118.505  16.088  -1.984
  837    HA   PRO 124           HA       PRO 124 119.144  19.022   2.847
  838    HB2  PRO 124           HB2      PRO 124 121.058  20.603   1.578
  839    HB3  PRO 124           HB1      PRO 124 121.370  18.988   2.247
  840    HG2  PRO 124           HG2      PRO 124 120.807  19.786  -0.576
  841    HG3  PRO 124           HG1      PRO 124 121.969  18.599   0.051
  842    HD2  PRO 124           HD2      PRO 124 119.622  17.826  -1.032
  843    HD3  PRO 124           HD1      PRO 124 120.331  16.953   0.342
  844    H    HIS 125           HN       HIS 125 118.565  21.045   3.614
  845    HA   HIS 125           HA       HIS 125 116.512  22.433   2.313
  846    HB2  HIS 125           HB2      HIS 125 118.322  23.597   4.434
  847    HB3  HIS 125           HB1      HIS 125 116.636  24.005   4.109
  848    HD2  HIS 125           HD2      HIS 125 114.757  21.889   4.853
  849    HE1  HIS 125           HE1      HIS 125 117.538  19.898   7.330
  850    HE2  HIS 125           HE2      HIS 125 115.085  20.061   6.690
  851    H    ARG 126           HN       ARG 126 116.520  23.863   0.719
  852    HA   ARG 126           HA       ARG 126 118.582  25.852   0.449
  853    HB2  ARG 126           HB2      ARG 126 119.301  25.219  -1.801
  854    HB3  ARG 126           HB1      ARG 126 119.686  23.947  -0.643
  855    HG2  ARG 126           HG2      ARG 126 117.629  22.740  -1.304
  856    HG3  ARG 126           HG1      ARG 126 117.287  23.997  -2.495
  857    HD2  ARG 126           HD2      ARG 126 119.813  22.329  -2.453
  858    HD3  ARG 126           HD1      ARG 126 118.425  22.006  -3.489
  859    HE   ARG 126           HE       ARG 126 119.238  24.686  -3.855
  860   HH11  ARG 126          HH11      ARG 126 120.437  25.215  -5.701
  861   HH12  ARG 126          HH12      ARG 126 121.283  23.978  -6.566
  862   HH21  ARG 126          HH21      ARG 126 120.266  21.432  -4.444
  863   HH22  ARG 126          HH22      ARG 126 121.187  21.834  -5.854
  864    H    ASP 127           HN       ASP 127 118.161  27.165  -1.651
  865    HA   ASP 127           HA       ASP 127 115.731  28.372  -1.552
  866    HB2  ASP 127           HB2      ASP 127 117.016  28.003  -4.246
  867    HB3  ASP 127           HB1      ASP 127 116.287  29.450  -3.553
  868    HA   PRO 128           HA       PRO 128 112.614  25.710  -3.209
  869    HB2  PRO 128           HB2      PRO 128 111.837  27.660  -5.328
  870    HB3  PRO 128           HB1      PRO 128 110.858  26.964  -4.023
  871    HG2  PRO 128           HG2      PRO 128 111.707  29.511  -3.969
  872    HG3  PRO 128           HG1      PRO 128 111.535  28.542  -2.494
  873    HD2  PRO 128           HD2      PRO 128 114.029  29.319  -3.961
  874    HD3  PRO 128           HD1      PRO 128 113.759  29.102  -2.219
  875    H    ALA 129           HN       ALA 129 112.247  24.196  -4.837
  876    HA   ALA 129           HA       ALA 129 113.058  24.274  -7.481
  877    HB1  ALA 129           HB1      ALA 129 115.326  24.172  -7.375
  878    HB2  ALA 129           HB2      ALA 129 115.152  22.535  -6.744
  879    HB3  ALA 129           HB3      ALA 129 115.289  23.899  -5.636
  880    HA   PRO 130           HA       PRO 130 112.422  19.677  -5.847
  881    HB2  PRO 130           HB2      PRO 130 110.951  20.398  -3.336
  882    HB3  PRO 130           HB1      PRO 130 112.089  19.065  -3.634
  883    HG2  PRO 130           HG2      PRO 130 112.857  21.164  -2.234
  884    HG3  PRO 130           HG1      PRO 130 113.951  20.450  -3.437
  885    HD2  PRO 130           HD2      PRO 130 112.248  22.917  -3.674
  886    HD3  PRO 130           HD1      PRO 130 113.940  22.678  -4.176
  887    H    ARG 131           HN       ARG 131 110.267  22.409  -5.517
  888    HA   ARG 131           HA       ARG 131 107.753  21.252  -5.650
  889    HB2  ARG 131           HB2      ARG 131 108.643  23.686  -7.218
  890    HB3  ARG 131           HB1      ARG 131 107.000  23.301  -6.713
  891    HG2  ARG 131           HG2      ARG 131 109.279  23.730  -4.766
  892    HG3  ARG 131           HG1      ARG 131 108.184  25.013  -5.270
  893    HD2  ARG 131           HD2      ARG 131 106.274  23.504  -4.488
  894    HD3  ARG 131           HD1      ARG 131 107.510  22.499  -3.731
  895    HE   ARG 131           HE       ARG 131 107.883  25.200  -2.967
  896   HH11  ARG 131          HH11      ARG 131 107.182  25.866  -0.922
  897   HH12  ARG 131          HH12      ARG 131 106.057  24.893  -0.034
  898   HH21  ARG 131          HH21      ARG 131 105.811  22.462  -2.495
  899   HH22  ARG 131          HH22      ARG 131 105.279  22.968  -0.927
  900    H    GLY 132           HN       GLY 132 106.615  20.167  -7.159
  901    HA2  GLY 132           HA2      GLY 132 106.414  20.287  -9.800
  902    HA3  GLY 132           HA1      GLY 132 107.961  19.456  -9.664
  903    HA   PRO 133           HA       PRO 133 104.591  16.554  -7.671
  904    HB2  PRO 133           HB2      PRO 133 102.120  17.653  -8.917
  905    HB3  PRO 133           HB1      PRO 133 102.395  17.130  -7.246
  906    HG2  PRO 133           HG2      PRO 133 102.167  19.723  -7.883
  907    HG3  PRO 133           HG1      PRO 133 103.268  19.168  -6.608
  908    HD2  PRO 133           HD2      PRO 133 103.915  20.010  -9.420
  909    HD3  PRO 133           HD1      PRO 133 104.814  20.320  -7.916
  910    H    ALA 134           HN       ALA 134 104.040  14.619  -8.703
  911    HA   ALA 134           HA       ALA 134 104.532  14.557 -11.583
  912    HB1  ALA 134           HB1      ALA 134 105.693  12.923 -10.208
  913    HB2  ALA 134           HB2      ALA 134 104.547  12.098 -11.264
  914    HB3  ALA 134           HB3      ALA 134 104.158  12.338  -9.562
  915    H    ARG 135           HN       ARG 135 102.983  14.431 -13.067
  916    HA   ARG 135           HA       ARG 135 100.204  14.222 -12.292
  917    HB2  ARG 135           HB2      ARG 135 101.542  14.367 -15.007
  918    HB3  ARG 135           HB1      ARG 135  99.797  14.397 -14.751
  919    HG2  ARG 135           HG2      ARG 135 100.027  16.424 -13.366
  920    HG3  ARG 135           HG1      ARG 135 101.773  16.396 -13.612
  921    HD2  ARG 135           HD2      ARG 135  99.761  16.565 -15.868
  922    HD3  ARG 135           HD1      ARG 135 100.553  17.968 -15.154
  923    HE   ARG 135           HE       ARG 135 102.552  16.141 -15.898
  924   HH11  ARG 135          HH11      ARG 135 103.697  16.484 -17.822
  925   HH12  ARG 135          HH12      ARG 135 103.000  17.447 -19.082
  926   HH21  ARG 135          HH21      ARG 135 100.076  18.089 -17.333
  927   HH22  ARG 135          HH22      ARG 135 100.950  18.354 -18.805
  928    H    PHE 136           HN       PHE 136  98.955  12.425 -12.344
  929    HA   PHE 136           HA       PHE 136 100.158   9.941 -13.446
  930    HB2  PHE 136           HB2      PHE 136  98.753  10.526 -10.874
  931    HB3  PHE 136           HB1      PHE 136  98.400   8.969 -11.629
  932    HD1  PHE 136           HD1      PHE 136 100.814  10.878  -9.714
  933    HD2  PHE 136           HD2      PHE 136 100.341   7.469 -12.286
  934    HE1  PHE 136           HE1      PHE 136 102.979   9.961  -8.907
  935    HE2  PHE 136           HE2      PHE 136 102.501   6.559 -11.481
  936    HZ   PHE 136           HZ       PHE 136 103.818   7.803  -9.797
  937    H    LEU 137           HN       LEU 137  98.933   8.573 -14.586
  938    HA   LEU 137           HA       LEU 137  96.185   9.411 -15.325
  939    HB2  LEU 137           HB2      LEU 137  98.576   8.824 -17.036
  940    HB3  LEU 137           HB1      LEU 137  96.992   8.342 -17.639
  941    HG   LEU 137           HG       LEU 137  97.320  11.132 -16.547
  942   HD11  LEU 137          HD11      LEU 137  98.278  10.182 -19.260
  943   HD12  LEU 137          HD12      LEU 137  99.212  11.025 -18.024
  944   HD13  LEU 137          HD13      LEU 137  97.926  11.871 -18.887
  945   HD21  LEU 137          HD21      LEU 137  95.100  10.249 -17.235
  946   HD22  LEU 137          HD22      LEU 137  95.729   9.967 -18.857
  947   HD23  LEU 137          HD23      LEU 137  95.602  11.613 -18.235
  948    HA   PRO 138           HA       PRO 138  96.079   5.052 -13.784
  949    HB2  PRO 138           HB2      PRO 138  93.158   5.703 -13.799
  950    HB3  PRO 138           HB1      PRO 138  94.138   4.951 -12.522
  951    HG2  PRO 138           HG2      PRO 138  93.318   7.480 -12.325
  952    HG3  PRO 138           HG1      PRO 138  94.919   6.982 -11.745
  953    HD2  PRO 138           HD2      PRO 138  94.204   8.483 -14.247
  954    HD3  PRO 138           HD1      PRO 138  95.617   8.669 -13.183
  955    H    LEU 139           HN       LEU 139  95.889   3.272 -15.103
  956    HA   LEU 139           HA       LEU 139  94.497   3.618 -17.692
  957    HB2  LEU 139           HB2      LEU 139  96.357   1.326 -17.128
  958    HB3  LEU 139           HB1      LEU 139  95.980   2.107 -18.660
  959    HG   LEU 139           HG       LEU 139  97.583   3.351 -16.410
  960   HD11  LEU 139          HD11      LEU 139  98.355   2.146 -19.077
  961   HD12  LEU 139          HD12      LEU 139  98.911   1.658 -17.477
  962   HD13  LEU 139          HD13      LEU 139  99.423   3.202 -18.155
  963   HD21  LEU 139          HD21      LEU 139  98.053   5.081 -18.177
  964   HD22  LEU 139          HD22      LEU 139  96.377   5.055 -17.635
  965   HD23  LEU 139          HD23      LEU 139  96.818   4.320 -19.177
  966    HA   PRO 140           HA       PRO 140  91.347   0.939 -15.792
  967    HB2  PRO 140           HB2      PRO 140  90.696   0.284 -18.639
  968    HB3  PRO 140           HB1      PRO 140  89.620   0.818 -17.331
  969    HG2  PRO 140           HG2      PRO 140  90.403   2.458 -19.325
  970    HG3  PRO 140           HG1      PRO 140  90.069   3.036 -17.684
  971    HD2  PRO 140           HD2      PRO 140  92.693   2.722 -19.061
  972    HD3  PRO 140           HD1      PRO 140  92.234   3.803 -17.726
  973    H    GLY 141           HN       GLY 141  91.727  -1.064 -15.048
  974    HA2  GLY 141           HA2      GLY 141  93.504  -2.870 -16.569
  975    HA3  GLY 141           HA1      GLY 141  93.166  -2.958 -14.842
  Start of MODEL    4
    1    H1   GLY  13           HT1      GLY  13  80.284  -3.905  -4.581
    2    H2   GLY  13           HT2      GLY  13  79.422  -3.060  -5.776
    3    H3   GLY  13           HT3      GLY  13  80.542  -2.243  -4.794
    4    HA2  GLY  13           HA2      GLY  13  82.217  -3.955  -5.772
    5    HA3  GLY  13           HA1      GLY  13  81.014  -4.052  -7.057
    6    H    GLN  14           HN       GLN  14  82.334  -1.404  -5.040
    7    HA   GLN  14           HA       GLN  14  82.582   0.262  -7.468
    8    HB2  GLN  14           HB2      GLN  14  82.887   1.130  -4.589
    9    HB3  GLN  14           HB1      GLN  14  82.659   2.153  -6.007
   10    HG2  GLN  14           HG2      GLN  14  80.520   2.031  -4.968
   11    HG3  GLN  14           HG1      GLN  14  80.432   0.935  -6.346
   12   HE21  GLN  14          HE21      GLN  14  78.796  -0.425  -5.300
   13   HE22  GLN  14          HE22      GLN  14  79.195  -1.423  -3.987
   14    H    VAL  15           HN       VAL  15  84.459  -1.622  -7.547
   15    HA   VAL  15           HA       VAL  15  86.929  -0.156  -6.871
   16    HB   VAL  15           HB       VAL  15  86.769  -1.767  -5.130
   17   HG11  VAL  15          HG11      VAL  15  85.046  -3.192  -6.171
   18   HG12  VAL  15          HG12      VAL  15  86.393  -4.161  -5.573
   19   HG13  VAL  15          HG13      VAL  15  86.248  -3.822  -7.298
   20   HG21  VAL  15          HG21      VAL  15  88.979  -1.565  -6.342
   21   HG22  VAL  15          HG22      VAL  15  88.551  -3.019  -7.241
   22   HG23  VAL  15          HG23      VAL  15  88.753  -3.092  -5.492
   23    H    ARG  16           HN       ARG  16  88.512  -0.257  -8.380
   24    HA   ARG  16           HA       ARG  16  88.249  -2.140 -10.633
   25    HB2  ARG  16           HB2      ARG  16  86.989  -0.078 -11.242
   26    HB3  ARG  16           HB1      ARG  16  88.474   0.849 -11.036
   27    HG2  ARG  16           HG2      ARG  16  89.572  -0.383 -12.799
   28    HG3  ARG  16           HG1      ARG  16  88.218  -1.508 -12.922
   29    HD2  ARG  16           HD2      ARG  16  86.752   0.461 -13.509
   30    HD3  ARG  16           HD1      ARG  16  88.211   1.441 -13.588
   31    HE   ARG  16           HE       ARG  16  88.651  -0.763 -15.232
   32   HH11  ARG  16          HH11      ARG  16  88.186  -0.703 -17.454
   33   HH12  ARG  16          HH12      ARG  16  87.101   0.496 -18.075
   34   HH21  ARG  16          HH21      ARG  16  86.500   1.939 -14.981
   35   HH22  ARG  16          HH22      ARG  16  86.151   1.992 -16.677
   36    H    GLN  17           HN       GLN  17  90.178  -2.399 -11.855
   37    HA   GLN  17           HA       GLN  17  92.601  -1.737 -10.323
   38    HB2  GLN  17           HB2      GLN  17  93.213  -3.465 -12.539
   39    HB3  GLN  17           HB1      GLN  17  93.209  -3.861 -10.824
   40    HG2  GLN  17           HG2      GLN  17  90.843  -4.410 -10.909
   41    HG3  GLN  17           HG1      GLN  17  90.756  -3.915 -12.598
   42   HE21  GLN  17          HE21      GLN  17  93.445  -5.121 -13.223
   43   HE22  GLN  17          HE22      GLN  17  93.189  -6.798 -13.244
   44    H    ARG  18           HN       ARG  18  94.020  -0.262 -10.953
   45    HA   ARG  18           HA       ARG  18  94.279   0.443 -13.790
   46    HB2  ARG  18           HB2      ARG  18  93.616   2.476 -11.640
   47    HB3  ARG  18           HB1      ARG  18  94.079   2.859 -13.295
   48    HG2  ARG  18           HG2      ARG  18  92.106   1.591 -14.114
   49    HG3  ARG  18           HG1      ARG  18  91.622   1.298 -12.450
   50    HD2  ARG  18           HD2      ARG  18  91.469   3.720 -12.058
   51    HD3  ARG  18           HD1      ARG  18  91.955   4.026 -13.720
   52    HE   ARG  18           HE       ARG  18  89.352   3.051 -12.816
   53   HH11  ARG  18          HH11      ARG  18  87.737   3.109 -14.408
   54   HH12  ARG  18          HH12      ARG  18  88.168   3.360 -16.067
   55   HH21  ARG  18          HH21      ARG  18  91.568   3.584 -15.429
   56   HH22  ARG  18          HH22      ARG  18  90.334   3.623 -16.644
   57    H    TYR  19           HN       TYR  19  96.252   1.459 -14.308
   58    HA   TYR  19           HA       TYR  19  98.391   1.137 -12.295
   59    HB2  TYR  19           HB2      TYR  19  98.414   1.651 -15.284
   60    HB3  TYR  19           HB1      TYR  19  99.868   1.694 -14.297
   61    HD1  TYR  19           HD1      TYR  19  97.031  -0.482 -15.341
   62    HD2  TYR  19           HD2      TYR  19 100.994  -0.309 -13.680
   63    HE1  TYR  19           HE1      TYR  19  97.229  -2.944 -15.554
   64    HE2  TYR  19           HE2      TYR  19 101.186  -2.770 -13.892
   65    HH   TYR  19           HH       TYR  19 100.247  -4.592 -15.062
   66    H    LEU  20           HN       LEU  20  99.349   2.939 -11.343
   67    HA   LEU  20           HA       LEU  20  98.300   5.576 -12.094
   68    HB2  LEU  20           HB2      LEU  20  99.078   4.437  -9.651
   69    HB3  LEU  20           HB1      LEU  20 100.390   5.544 -10.013
   70    HG   LEU  20           HG       LEU  20  98.612   7.325 -10.443
   71   HD11  LEU  20          HD11      LEU  20  96.576   6.192 -10.733
   72   HD12  LEU  20          HD12      LEU  20  96.446   6.754  -9.070
   73   HD13  LEU  20          HD13      LEU  20  96.888   5.081  -9.401
   74   HD21  LEU  20          HD21      LEU  20  99.000   6.065  -7.721
   75   HD22  LEU  20          HD22      LEU  20  98.179   7.610  -7.942
   76   HD23  LEU  20          HD23      LEU  20  99.869   7.434  -8.413
   77    H    TYR  21           HN       TYR  21  99.290   6.754 -13.586
   78    HA   TYR  21           HA       TYR  21 102.200   6.359 -14.050
   79    HB2  TYR  21           HB2      TYR  21 101.003   5.227 -15.776
   80    HB3  TYR  21           HB1      TYR  21  99.916   6.591 -16.008
   81    HD1  TYR  21           HD1      TYR  21 103.276   5.256 -16.640
   82    HD2  TYR  21           HD2      TYR  21 100.660   8.617 -17.154
   83    HE1  TYR  21           HE1      TYR  21 104.795   6.185 -18.356
   84    HE2  TYR  21           HE2      TYR  21 102.190   9.553 -18.863
   85    HH   TYR  21           HH       TYR  21 105.127   8.953 -19.221
   86    H    THR  22           HN       THR  22 103.441   8.104 -14.336
   87    HA   THR  22           HA       THR  22 102.295  10.697 -15.010
   88    HB   THR  22           HB       THR  22 102.185  10.720 -12.554
   89    HG1  THR  22           HG1      THR  22 102.978  12.681 -12.522
   90   HG21  THR  22          HG21      THR  22 103.970   9.076 -12.143
   91   HG22  THR  22          HG22      THR  22 104.245  10.571 -11.248
   92   HG23  THR  22          HG23      THR  22 105.165  10.240 -12.709
   93    H    SER  23           HN       SER  23 104.050  12.327 -15.381
   94    HA   SER  23           HA       SER  23 106.477  10.995 -16.459
   95    HB2  SER  23           HB2      SER  23 105.153  13.586 -17.306
   96    HB3  SER  23           HB1      SER  23 106.629  12.917 -17.996
   97    HG   SER  23           HG       SER  23 104.041  11.742 -17.977
   98    H    GLY  24           HN       GLY  24 108.490  11.921 -16.060
   99    HA2  GLY  24           HA2      GLY  24 108.716  14.332 -14.451
  100    HA3  GLY  24           HA1      GLY  24 109.173  12.850 -13.622
  101    HA   PRO  25           HA       PRO  25 113.128  12.623 -15.562
  102    HB2  PRO  25           HB2      PRO  25 112.465  10.345 -17.372
  103    HB3  PRO  25           HB1      PRO  25 113.677  10.438 -16.078
  104    HG2  PRO  25           HG2      PRO  25 111.426   9.023 -15.790
  105    HG3  PRO  25           HG1      PRO  25 112.150   9.904 -14.431
  106    HD2  PRO  25           HD2      PRO  25 109.770  10.653 -16.108
  107    HD3  PRO  25           HD1      PRO  25 110.023  10.846 -14.358
  108    H    HIS  26           HN       HIS  26 114.290  13.466 -17.308
  109    HA   HIS  26           HA       HIS  26 112.768  14.802 -19.339
  110    HB2  HIS  26           HB2      HIS  26 114.835  15.772 -18.405
  111    HB3  HIS  26           HB1      HIS  26 115.763  14.431 -19.077
  112    HD2  HIS  26           HD2      HIS  26 116.604  17.230 -20.388
  113    HE1  HIS  26           HE1      HIS  26 113.958  16.328 -23.552
  114    HE2  HIS  26           HE2      HIS  26 115.910  17.790 -22.843
  115    H    GLY  27           HN       GLY  27 111.713  13.141 -20.483
  116    HA2  GLY  27           HA2      GLY  27 111.456  11.616 -22.188
  117    HA3  GLY  27           HA1      GLY  27 113.015  12.182 -22.785
  118    H    LEU  28           HN       LEU  28 113.990  10.274 -23.292
  119    HA   LEU  28           HA       LEU  28 115.116   8.300 -22.996
  120    HB2  LEU  28           HB2      LEU  28 116.169   9.653 -21.148
  121    HB3  LEU  28           HB1      LEU  28 114.995   8.948 -20.046
  122    HG   LEU  28           HG       LEU  28 115.839   6.651 -20.925
  123   HD11  LEU  28          HD11      LEU  28 118.007   8.521 -21.909
  124   HD12  LEU  28          HD12      LEU  28 117.165   7.260 -22.807
  125   HD13  LEU  28          HD13      LEU  28 118.323   6.825 -21.556
  126   HD21  LEU  28          HD21      LEU  28 116.276   7.362 -18.663
  127   HD22  LEU  28          HD22      LEU  28 117.527   8.482 -19.202
  128   HD23  LEU  28          HD23      LEU  28 117.789   6.742 -19.325
  129    H    SER  29           HN       SER  29 113.153   8.419 -20.039
  130    HA   SER  29           HA       SER  29 111.456   6.234 -20.980
  131    HB2  SER  29           HB2      SER  29 113.378   5.998 -18.666
  132    HB3  SER  29           HB1      SER  29 111.954   4.979 -18.819
  133    HG   SER  29           HG       SER  29 114.154   4.370 -19.808
  134    H    SER  30           HN       SER  30 109.577   5.948 -19.700
  135    HA   SER  30           HA       SER  30 108.798   8.352 -18.238
  136    HB2  SER  30           HB2      SER  30 107.056   5.988 -18.870
  137    HB3  SER  30           HB1      SER  30 106.570   7.647 -18.527
  138    HG   SER  30           HG       SER  30 106.528   7.484 -20.709
  139    H    CYS  31           HN       CYS  31 107.376   8.045 -16.286
  140    HA   CYS  31           HA       CYS  31 108.636   6.061 -14.476
  141    HB2  CYS  31           HB2      CYS  31 107.930   8.918 -14.222
  142    HB3  CYS  31           HB1      CYS  31 107.493   7.947 -12.821
  143    H    HIS  32           HN       HIS  32 107.452   4.561 -13.575
  144    HA   HIS  32           HA       HIS  32 104.489   4.770 -13.547
  145    HB2  HIS  32           HB2      HIS  32 106.303   2.379 -13.930
  146    HB3  HIS  32           HB1      HIS  32 104.594   2.229 -13.527
  147    HD2  HIS  32           HD2      HIS  32 102.996   2.208 -15.758
  148    HE1  HIS  32           HE1      HIS  32 105.675   4.045 -18.449
  149    HE2  HIS  32           HE2      HIS  32 103.363   3.018 -18.212
  150    H    LEU  33           HN       LEU  33 103.591   4.718 -11.534
  151    HA   LEU  33           HA       LEU  33 105.276   4.611  -9.234
  152    HB2  LEU  33           HB2      LEU  33 102.883   5.714  -9.627
  153    HB3  LEU  33           HB1      LEU  33 102.312   4.171  -8.999
  154    HG   LEU  33           HG       LEU  33 104.195   6.110  -7.626
  155   HD11  LEU  33          HD11      LEU  33 102.330   6.064  -5.908
  156   HD12  LEU  33          HD12      LEU  33 101.361   5.195  -7.099
  157   HD13  LEU  33          HD13      LEU  33 101.919   6.832  -7.441
  158   HD21  LEU  33          HD21      LEU  33 103.835   4.407  -5.685
  159   HD22  LEU  33          HD22      LEU  33 105.026   4.039  -6.929
  160   HD23  LEU  33          HD23      LEU  33 103.436   3.270  -6.974
  161    H    GLU  34           HN       GLU  34 105.935   2.920  -8.082
  162    HA   GLU  34           HA       GLU  34 104.499   0.350  -8.280
  163    HB2  GLU  34           HB2      GLU  34 106.776  -0.766  -8.298
  164    HB3  GLU  34           HB1      GLU  34 106.299   0.024  -9.797
  165    HG2  GLU  34           HG2      GLU  34 108.576   0.654  -9.384
  166    HG3  GLU  34           HG1      GLU  34 107.596   2.066  -9.001
  167    H    ILE  35           HN       ILE  35 104.552  -0.927  -6.456
  168    HA   ILE  35           HA       ILE  35 105.664   0.385  -4.023
  169    HB   ILE  35           HB       ILE  35 103.287  -1.480  -4.246
  170   HG12  ILE  35          HG12      ILE  35 103.512   1.505  -3.718
  171   HG13  ILE  35          HG11      ILE  35 102.862   0.762  -5.178
  172   HG21  ILE  35          HG21      ILE  35 102.957  -0.898  -1.853
  173   HG22  ILE  35          HG22      ILE  35 104.440   0.051  -1.884
  174   HG23  ILE  35          HG23      ILE  35 104.506  -1.697  -2.091
  175   HD11  ILE  35          HD11      ILE  35 101.197  -0.432  -3.603
  176   HD12  ILE  35          HD12      ILE  35 100.948   1.290  -3.893
  177   HD13  ILE  35          HD13      ILE  35 101.700   0.750  -2.392
  178    H    ARG  36           HN       ARG  36 107.073  -0.640  -2.814
  179    HA   ARG  36           HA       ARG  36 108.063  -3.259  -3.637
  180    HB2  ARG  36           HB2      ARG  36 109.005  -1.002  -1.941
  181    HB3  ARG  36           HB1      ARG  36 109.581  -2.598  -1.475
  182    HG2  ARG  36           HG2      ARG  36 111.168  -1.575  -3.018
  183    HG3  ARG  36           HG1      ARG  36 110.394  -2.955  -3.796
  184    HD2  ARG  36           HD2      ARG  36 108.983  -1.559  -5.095
  185    HD3  ARG  36           HD1      ARG  36 109.363  -0.136  -4.128
  186    HE   ARG  36           HE       ARG  36 111.329   0.114  -5.358
  187   HH11  ARG  36          HH11      ARG  36 112.792  -0.492  -6.999
  188   HH12  ARG  36          HH12      ARG  36 112.635  -2.043  -7.755
  189   HH21  ARG  36          HH21      ARG  36 109.893  -2.990  -5.859
  190   HH22  ARG  36          HH22      ARG  36 110.993  -3.453  -7.115
  191    H    GLU  37           HN       GLU  37 108.288  -5.024  -2.198
  192    HA   GLU  37           HA       GLU  37 106.023  -5.523  -0.535
  193    HB2  GLU  37           HB2      GLU  37 108.673  -6.970  -0.818
  194    HB3  GLU  37           HB1      GLU  37 107.293  -7.583   0.093
  195    HG2  GLU  37           HG2      GLU  37 105.922  -7.617  -1.911
  196    HG3  GLU  37           HG1      GLU  37 107.216  -6.860  -2.841
  197    H    ASP  38           HN       ASP  38 109.256  -4.380  -0.115
  198    HA   ASP  38           HA       ASP  38 109.412  -4.606   2.724
  199    HB2  ASP  38           HB2      ASP  38 110.893  -2.848   0.753
  200    HB3  ASP  38           HB1      ASP  38 111.294  -2.978   2.464
  201    H    GLY  39           HN       GLY  39 107.542  -2.716   0.717
  202    HA2  GLY  39           HA2      GLY  39 105.907  -1.181   1.427
  203    HA3  GLY  39           HA1      GLY  39 106.816  -0.913   2.912
  204    H    THR  40           HN       THR  40 108.852  -0.880   0.207
  205    HA   THR  40           HA       THR  40 109.251   1.979   0.478
  206    HB   THR  40           HB       THR  40 110.648   0.590  -1.742
  207    HG1  THR  40           HG1      THR  40 111.758  -0.125   0.609
  208   HG21  THR  40          HG21      THR  40 111.156   2.874  -0.647
  209   HG22  THR  40          HG22      THR  40 112.516   1.791  -0.940
  210   HG23  THR  40          HG23      THR  40 111.836   1.934   0.681
  211    H    VAL  41           HN       VAL  41 109.215   3.445  -1.361
  212    HA   VAL  41           HA       VAL  41 107.302   2.676  -3.491
  213    HB   VAL  41           HB       VAL  41 107.225   5.147  -1.749
  214   HG11  VAL  41          HG11      VAL  41 105.820   4.470  -4.337
  215   HG12  VAL  41          HG12      VAL  41 106.759   5.913  -3.956
  216   HG13  VAL  41          HG13      VAL  41 105.182   5.664  -3.206
  217   HG21  VAL  41          HG21      VAL  41 104.837   4.268  -1.427
  218   HG22  VAL  41          HG22      VAL  41 106.116   3.324  -0.668
  219   HG23  VAL  41          HG23      VAL  41 105.390   2.773  -2.177
  220    H    GLY  42           HN       GLY  42 107.748   3.455  -5.494
  221    HA2  GLY  42           HA2      GLY  42 109.469   5.708  -5.967
  222    HA3  GLY  42           HA1      GLY  42 110.282   4.175  -6.274
  223    H    CYS  43           HN       CYS  43 110.257   5.427  -8.466
  224    HA   CYS  43           HA       CYS  43 107.757   4.896  -9.944
  225    HB2  CYS  43           HB2      CYS  43 108.195   6.912 -10.885
  226    HB3  CYS  43           HB1      CYS  43 109.688   7.026  -9.970
  227    H    ALA  44           HN       ALA  44 107.911   3.908 -12.072
  228    HA   ALA  44           HA       ALA  44 110.256   2.141 -12.482
  229    HB1  ALA  44           HB1      ALA  44 108.888   0.437 -11.788
  230    HB2  ALA  44           HB2      ALA  44 108.174   0.585 -13.395
  231    HB3  ALA  44           HB3      ALA  44 107.427   1.392 -12.017
  232    H    ALA  45           HN       ALA  45 110.772   1.700 -14.616
  233    HA   ALA  45           HA       ALA  45 109.383   3.369 -16.655
  234    HB1  ALA  45           HB1      ALA  45 112.249   2.666 -16.145
  235    HB2  ALA  45           HB2      ALA  45 111.542   4.206 -16.632
  236    HB3  ALA  45           HB3      ALA  45 111.743   2.913 -17.817
  237    H    ASP  46           HN       ASP  46 109.881   0.164 -15.650
  238    HA   ASP  46           HA       ASP  46 109.571  -0.907 -18.399
  239    HB2  ASP  46           HB2      ASP  46 110.569  -2.173 -15.853
  240    HB3  ASP  46           HB1      ASP  46 110.226  -3.085 -17.322
  241    H    GLN  47           HN       GLN  47 107.500   0.105 -16.243
  242    HA   GLN  47           HA       GLN  47 105.417  -0.539 -15.473
  243    HB2  GLN  47           HB2      GLN  47 105.356  -1.999 -18.109
  244    HB3  GLN  47           HB1      GLN  47 103.998  -1.290 -17.239
  245    HG2  GLN  47           HG2      GLN  47 105.078   0.952 -17.518
  246    HG3  GLN  47           HG1      GLN  47 106.303   0.194 -18.522
  247   HE21  GLN  47          HE21      GLN  47 103.722   2.075 -18.944
  248   HE22  GLN  47          HE22      GLN  47 103.058   1.413 -20.358
  249    H    SER  48           HN       SER  48 105.671  -1.927 -13.744
  250    HA   SER  48           HA       SER  48 105.811  -4.831 -14.350
  251    HB2  SER  48           HB2      SER  48 106.754  -4.999 -12.006
  252    HB3  SER  48           HB1      SER  48 107.784  -4.186 -13.176
  253    HG   SER  48           HG       SER  48 107.005  -2.206 -12.376
  254    HA   PRO  49           HA       PRO  49 101.829  -5.525 -12.517
  255    HB2  PRO  49           HB2      PRO  49 103.105  -7.443 -10.594
  256    HB3  PRO  49           HB1      PRO  49 101.707  -7.681 -11.665
  257    HG2  PRO  49           HG2      PRO  49 104.079  -8.729 -12.250
  258    HG3  PRO  49           HG1      PRO  49 103.026  -8.073 -13.517
  259    HD2  PRO  49           HD2      PRO  49 105.517  -6.900 -12.344
  260    HD3  PRO  49           HD1      PRO  49 104.879  -6.784 -13.997
  261    H    GLU  50           HN       GLU  50 104.505  -5.199 -10.201
  262    HA   GLU  50           HA       GLU  50 103.041  -4.591  -7.913
  263    HB2  GLU  50           HB2      GLU  50 105.089  -3.237  -7.241
  264    HB3  GLU  50           HB1      GLU  50 105.378  -4.926  -7.660
  265    HG2  GLU  50           HG2      GLU  50 106.033  -4.255  -9.934
  266    HG3  GLU  50           HG1      GLU  50 105.745  -2.566  -9.528
  267    H    SER  51           HN       SER  51 103.319  -2.799 -10.807
  268    HA   SER  51           HA       SER  51 102.694  -0.231  -9.583
  269    HB2  SER  51           HB2      SER  51 102.897  -1.060 -12.489
  270    HB3  SER  51           HB1      SER  51 102.710   0.589 -11.906
  271    HG   SER  51           HG       SER  51 104.679   0.070 -10.625
  272    H    LEU  52           HN       LEU  52 101.037  -2.965 -10.430
  273    HA   LEU  52           HA       LEU  52  98.598  -1.753 -11.406
  274    HB2  LEU  52           HB2      LEU  52  99.621  -4.164 -11.822
  275    HB3  LEU  52           HB1      LEU  52  98.789  -4.559 -10.324
  276    HG   LEU  52           HG       LEU  52  97.532  -3.427 -12.838
  277   HD11  LEU  52          HD11      LEU  52  98.154  -5.845 -12.858
  278   HD12  LEU  52          HD12      LEU  52  96.414  -5.580 -12.967
  279   HD13  LEU  52          HD13      LEU  52  97.138  -6.079 -11.438
  280   HD21  LEU  52          HD21      LEU  52  95.384  -3.813 -11.586
  281   HD22  LEU  52          HD22      LEU  52  96.360  -2.487 -10.956
  282   HD23  LEU  52          HD23      LEU  52  96.345  -4.044 -10.124
  283    H    LEU  53           HN       LEU  53  97.371  -0.647 -10.010
  284    HA   LEU  53           HA       LEU  53  97.217  -1.566  -7.189
  285    HB2  LEU  53           HB2      LEU  53  96.926   1.242  -8.240
  286    HB3  LEU  53           HB1      LEU  53  96.923   0.739  -6.553
  287    HG   LEU  53           HG       LEU  53  99.313  -0.027  -8.207
  288   HD11  LEU  53          HD11      LEU  53  98.722   2.769  -7.219
  289   HD12  LEU  53          HD12      LEU  53  99.100   2.264  -8.865
  290   HD13  LEU  53          HD13      LEU  53 100.343   2.202  -7.619
  291   HD21  LEU  53          HD21      LEU  53  98.880  -0.583  -5.719
  292   HD22  LEU  53          HD22      LEU  53  99.200   1.119  -5.413
  293   HD23  LEU  53          HD23      LEU  53 100.451   0.104  -6.129
  294    H    GLN  54           HN       GLN  54  95.290  -2.053  -6.400
  295    HA   GLN  54           HA       GLN  54  92.954  -1.847  -8.072
  296    HB2  GLN  54           HB2      GLN  54  93.369  -2.818  -5.248
  297    HB3  GLN  54           HB1      GLN  54  91.777  -2.738  -6.002
  298    HG2  GLN  54           HG2      GLN  54  92.597  -4.171  -7.849
  299    HG3  GLN  54           HG1      GLN  54  94.158  -4.287  -7.042
  300   HE21  GLN  54          HE21      GLN  54  94.355  -5.800  -5.310
  301   HE22  GLN  54          HE22      GLN  54  93.066  -6.761  -4.766
  302    H    LEU  55           HN       LEU  55  91.754  -0.090  -8.256
  303    HA   LEU  55           HA       LEU  55  91.971   2.055  -6.278
  304    HB2  LEU  55           HB2      LEU  55  92.034   2.643  -8.661
  305    HB3  LEU  55           HB1      LEU  55  90.458   1.895  -8.903
  306    HG   LEU  55           HG       LEU  55  90.502   3.895  -6.702
  307   HD11  LEU  55          HD11      LEU  55  92.018   5.091  -8.149
  308   HD12  LEU  55          HD12      LEU  55  90.426   5.833  -8.296
  309   HD13  LEU  55          HD13      LEU  55  91.016   4.755  -9.561
  310   HD21  LEU  55          HD21      LEU  55  88.750   3.652  -9.169
  311   HD22  LEU  55          HD22      LEU  55  88.401   4.587  -7.716
  312   HD23  LEU  55          HD23      LEU  55  88.440   2.829  -7.642
  313    H    LYS  56           HN       LYS  56  90.679   2.002  -4.571
  314    HA   LYS  56           HA       LYS  56  87.980   0.779  -4.822
  315    HB2  LYS  56           HB2      LYS  56  89.825   1.058  -2.442
  316    HB3  LYS  56           HB1      LYS  56  88.159   0.496  -2.334
  317    HG2  LYS  56           HG2      LYS  56  88.679  -1.369  -3.844
  318    HG3  LYS  56           HG1      LYS  56  90.340  -0.794  -3.999
  319    HD2  LYS  56           HD2      LYS  56  90.666  -1.080  -1.567
  320    HD3  LYS  56           HD1      LYS  56  89.010  -1.668  -1.417
  321    HE2  LYS  56           HE2      LYS  56  89.538  -3.541  -2.934
  322    HE3  LYS  56           HE1      LYS  56  91.197  -2.957  -3.074
  323    HZ1  LYS  56           HZ1      LYS  56  91.265  -3.126  -0.567
  324    HZ2  LYS  56           HZ2      LYS  56  91.249  -4.595  -1.422
  325    HZ3  LYS  56           HZ3      LYS  56  89.831  -4.027  -0.679
  326    H    ALA  57           HN       ALA  57  86.269   2.031  -4.489
  327    HA   ALA  57           HA       ALA  57  86.722   4.847  -3.753
  328    HB1  ALA  57           HB1      ALA  57  84.698   5.316  -4.838
  329    HB2  ALA  57           HB2      ALA  57  84.109   3.662  -4.663
  330    HB3  ALA  57           HB3      ALA  57  85.395   4.023  -5.814
  331    H    LEU  58           HN       LEU  58  86.788   5.049  -1.566
  332    HA   LEU  58           HA       LEU  58  85.163   3.480   0.202
  333    HB2  LEU  58           HB2      LEU  58  86.552   6.095   0.813
  334    HB3  LEU  58           HB1      LEU  58  86.043   4.864   1.966
  335    HG   LEU  58           HG       LEU  58  88.150   4.510  -0.187
  336   HD11  LEU  58          HD11      LEU  58  89.605   4.224   1.907
  337   HD12  LEU  58          HD12      LEU  58  88.263   4.925   2.806
  338   HD13  LEU  58          HD13      LEU  58  89.065   5.864   1.547
  339   HD21  LEU  58          HD21      LEU  58  87.209   2.365   0.109
  340   HD22  LEU  58          HD22      LEU  58  86.906   2.631   1.827
  341   HD23  LEU  58          HD23      LEU  58  88.553   2.367   1.248
  342    H    LYS  59           HN       LYS  59  85.118   6.899  -0.742
  343    HA   LYS  59           HA       LYS  59  82.204   6.977  -0.415
  344    HB2  LYS  59           HB2      LYS  59  84.015   9.067   0.805
  345    HB3  LYS  59           HB1      LYS  59  82.271   8.950   0.956
  346    HG2  LYS  59           HG2      LYS  59  82.530   6.794   2.158
  347    HG3  LYS  59           HG1      LYS  59  84.281   6.968   2.059
  348    HD2  LYS  59           HD2      LYS  59  82.641   9.203   3.249
  349    HD3  LYS  59           HD1      LYS  59  83.010   7.785   4.225
  350    HE2  LYS  59           HE2      LYS  59  85.425   8.120   3.791
  351    HE3  LYS  59           HE1      LYS  59  85.046   9.549   2.831
  352    HZ1  LYS  59           HZ1      LYS  59  85.515  10.408   4.908
  353    HZ2  LYS  59           HZ2      LYS  59  84.738   9.143   5.734
  354    HZ3  LYS  59           HZ3      LYS  59  83.822  10.322   4.923
  355    HA   PRO  60           HA       PRO  60  82.267   9.309  -4.200
  356    HB2  PRO  60           HB2      PRO  60  80.852  11.469  -2.652
  357    HB3  PRO  60           HB1      PRO  60  80.466  10.796  -4.250
  358    HG2  PRO  60           HG2      PRO  60  79.092  10.082  -2.076
  359    HG3  PRO  60           HG1      PRO  60  79.456   8.921  -3.366
  360    HD2  PRO  60           HD2      PRO  60  80.616   9.099  -0.631
  361    HD3  PRO  60           HD1      PRO  60  80.482   7.694  -1.712
  362    H    GLY  61           HN       GLY  61  84.316  10.011  -4.652
  363    HA2  GLY  61           HA2      GLY  61  85.768  11.859  -5.029
  364    HA3  GLY  61           HA1      GLY  61  85.167  12.615  -3.559
  365    H    VAL  62           HN       VAL  62  85.488   9.815  -2.258
  366    HA   VAL  62           HA       VAL  62  88.369  10.116  -1.636
  367    HB   VAL  62           HB       VAL  62  86.188   8.796  -0.007
  368   HG11  VAL  62          HG11      VAL  62  87.956   8.989   1.794
  369   HG12  VAL  62          HG12      VAL  62  89.099   9.440   0.528
  370   HG13  VAL  62          HG13      VAL  62  88.342   7.847   0.507
  371   HG21  VAL  62          HG21      VAL  62  87.489  11.529   0.197
  372   HG22  VAL  62          HG22      VAL  62  86.487  10.814   1.464
  373   HG23  VAL  62          HG23      VAL  62  85.785  11.187  -0.111
  374    H    ILE  63           HN       ILE  63  89.723   8.516  -2.165
  375    HA   ILE  63           HA       ILE  63  88.614   5.827  -2.713
  376    HB   ILE  63           HB       ILE  63  89.945   5.631  -4.705
  377   HG12  ILE  63          HG12      ILE  63  90.966   8.122  -5.361
  378   HG13  ILE  63          HG11      ILE  63  91.243   8.095  -3.622
  379   HG21  ILE  63          HG21      ILE  63  87.689   6.808  -4.726
  380   HG22  ILE  63          HG22      ILE  63  88.735   7.143  -6.106
  381   HG23  ILE  63          HG23      ILE  63  88.580   8.329  -4.811
  382   HD11  ILE  63          HD11      ILE  63  92.209   5.685  -4.108
  383   HD12  ILE  63          HD12      ILE  63  93.196   7.111  -4.427
  384   HD13  ILE  63          HD13      ILE  63  92.365   6.301  -5.754
  385    H    GLN  64           HN       GLN  64  90.303   4.169  -2.869
  386    HA   GLN  64           HA       GLN  64  92.689   4.681  -1.193
  387    HB2  GLN  64           HB2      GLN  64  91.219   3.644   0.345
  388    HB3  GLN  64           HB1      GLN  64  90.562   2.559  -0.863
  389    HG2  GLN  64           HG2      GLN  64  91.991   1.268   0.584
  390    HG3  GLN  64           HG1      GLN  64  92.832   1.415  -0.944
  391   HE21  GLN  64          HE21      GLN  64  93.680   1.217   2.075
  392   HE22  GLN  64          HE22      GLN  64  94.877   2.413   2.199
  393    H    ILE  65           HN       ILE  65  94.485   3.399  -1.769
  394    HA   ILE  65           HA       ILE  65  94.201   1.897  -4.313
  395    HB   ILE  65           HB       ILE  65  96.924   2.792  -4.017
  396   HG12  ILE  65          HG12      ILE  65  96.597   5.249  -4.001
  397   HG13  ILE  65          HG11      ILE  65  94.885   5.019  -3.666
  398   HG21  ILE  65          HG21      ILE  65  95.466   2.431  -6.125
  399   HG22  ILE  65          HG22      ILE  65  96.574   3.795  -6.136
  400   HG23  ILE  65          HG23      ILE  65  94.858   4.056  -5.830
  401   HD11  ILE  65          HD11      ILE  65  95.359   4.987  -1.474
  402   HD12  ILE  65          HD12      ILE  65  97.083   5.092  -1.814
  403   HD13  ILE  65          HD13      ILE  65  96.302   3.517  -1.702
  404    H    LEU  66           HN       LEU  66  94.727  -0.175  -4.234
  405    HA   LEU  66           HA       LEU  66  96.542  -1.142  -2.102
  406    HB2  LEU  66           HB2      LEU  66  94.245  -1.596  -1.469
  407    HB3  LEU  66           HB1      LEU  66  93.899  -2.296  -3.034
  408    HG   LEU  66           HG       LEU  66  94.310  -3.883  -1.042
  409   HD11  LEU  66          HD11      LEU  66  94.448  -4.398  -3.626
  410   HD12  LEU  66          HD12      LEU  66  94.979  -5.586  -2.444
  411   HD13  LEU  66          HD13      LEU  66  96.161  -4.597  -3.281
  412   HD21  LEU  66          HD21      LEU  66  96.386  -2.606  -0.319
  413   HD22  LEU  66          HD22      LEU  66  97.218  -3.365  -1.674
  414   HD23  LEU  66          HD23      LEU  66  96.546  -4.358  -0.386
  415    H    GLY  67           HN       GLY  67  98.256  -2.143  -2.934
  416    HA2  GLY  67           HA2      GLY  67  98.417  -2.840  -5.732
  417    HA3  GLY  67           HA1      GLY  67  99.686  -3.032  -4.537
  418    H    VAL  68           HN       VAL  68  98.061  -4.733  -6.658
  419    HA   VAL  68           HA       VAL  68  96.970  -6.906  -5.186
  420    HB   VAL  68           HB       VAL  68  96.882  -8.045  -7.328
  421   HG11  VAL  68          HG11      VAL  68  95.199  -6.346  -6.989
  422   HG12  VAL  68          HG12      VAL  68  95.746  -6.233  -8.661
  423   HG13  VAL  68          HG13      VAL  68  96.319  -5.068  -7.466
  424   HG21  VAL  68          HG21      VAL  68  97.888  -6.758  -9.323
  425   HG22  VAL  68          HG22      VAL  68  99.018  -7.628  -8.285
  426   HG23  VAL  68          HG23      VAL  68  98.836  -5.881  -8.122
  427    H    LYS  69           HN       LYS  69 100.116  -6.412  -6.760
  428    HA   LYS  69           HA       LYS  69 101.101  -9.005  -6.210
  429    HB2  LYS  69           HB2      LYS  69 102.025  -7.386  -7.910
  430    HB3  LYS  69           HB1      LYS  69 102.738  -6.484  -6.577
  431    HG2  LYS  69           HG2      LYS  69 103.313  -9.429  -6.668
  432    HG3  LYS  69           HG1      LYS  69 104.082  -8.431  -7.894
  433    HD2  LYS  69           HD2      LYS  69 104.986  -6.961  -6.091
  434    HD3  LYS  69           HD1      LYS  69 104.296  -8.052  -4.891
  435    HE2  LYS  69           HE2      LYS  69 106.264  -8.901  -7.031
  436    HE3  LYS  69           HE1      LYS  69 106.704  -8.532  -5.363
  437    HZ1  LYS  69           HZ1      LYS  69 105.151 -10.268  -4.641
  438    HZ2  LYS  69           HZ2      LYS  69 106.389 -10.887  -5.627
  439    HZ3  LYS  69           HZ3      LYS  69 104.831 -10.654  -6.262
  440    H    THR  70           HN       THR  70 101.436  -5.920  -4.494
  441    HA   THR  70           HA       THR  70 102.979  -7.168  -2.354
  442    HB   THR  70           HB       THR  70 102.774  -4.742  -1.436
  443    HG1  THR  70           HG1      THR  70 101.039  -4.137  -2.733
  444   HG21  THR  70          HG21      THR  70 104.123  -5.270  -4.098
  445   HG22  THR  70          HG22      THR  70 104.801  -5.646  -2.514
  446   HG23  THR  70          HG23      THR  70 104.529  -3.967  -2.982
  447    H    SER  71           HN       SER  71  99.670  -6.134  -2.930
  448    HA   SER  71           HA       SER  71  97.772  -6.326  -1.635
  449    HB2  SER  71           HB2      SER  71  97.574  -8.314  -0.527
  450    HB3  SER  71           HB1      SER  71  99.172  -8.644  -1.186
  451    HG   SER  71           HG       SER  71  98.607  -8.665   1.277
  452    H    ARG  72           HN       ARG  72 100.043  -4.414  -1.057
  453    HA   ARG  72           HA       ARG  72  99.511  -3.791   1.786
  454    HB2  ARG  72           HB2      ARG  72 101.724  -2.976  -0.111
  455    HB3  ARG  72           HB1      ARG  72 101.505  -2.274   1.488
  456    HG2  ARG  72           HG2      ARG  72 101.784  -4.457   2.537
  457    HG3  ARG  72           HG1      ARG  72 101.872  -5.233   0.958
  458    HD2  ARG  72           HD2      ARG  72 103.901  -3.919   0.431
  459    HD3  ARG  72           HD1      ARG  72 103.817  -3.170   2.019
  460    HE   ARG  72           HE       ARG  72 104.804  -5.073   2.875
  461   HH11  ARG  72          HH11      ARG  72 105.674  -7.169   2.738
  462   HH12  ARG  72          HH12      ARG  72 105.294  -8.163   1.370
  463   HH21  ARG  72          HH21      ARG  72 103.303  -5.779  -0.150
  464   HH22  ARG  72          HH22      ARG  72 103.951  -7.379  -0.257
  465    H    PHE  73           HN       PHE  73  98.516  -1.912   2.334
  466    HA   PHE  73           HA       PHE  73  97.248  -0.371   0.223
  467    HB2  PHE  73           HB2      PHE  73  97.153  -0.037   3.234
  468    HB3  PHE  73           HB1      PHE  73  96.118   0.784   2.069
  469    HD1  PHE  73           HD1      PHE  73  96.668  -2.273   3.956
  470    HD2  PHE  73           HD2      PHE  73  94.582  -0.572   0.605
  471    HE1  PHE  73           HE1      PHE  73  95.097  -4.190   3.957
  472    HE2  PHE  73           HE2      PHE  73  93.012  -2.491   0.608
  473    HZ   PHE  73           HZ       PHE  73  93.269  -4.299   2.285
  474    H    LEU  74           HN       LEU  74  97.874   1.589  -0.509
  475    HA   LEU  74           HA       LEU  74 100.378   2.712   0.481
  476    HB2  LEU  74           HB2      LEU  74 100.232   2.635  -1.876
  477    HB3  LEU  74           HB1      LEU  74  98.596   3.275  -1.886
  478    HG   LEU  74           HG       LEU  74  99.392   5.473  -1.197
  479   HD11  LEU  74          HD11      LEU  74 102.058   4.059  -0.952
  480   HD12  LEU  74          HD12      LEU  74 101.181   4.934   0.305
  481   HD13  LEU  74          HD13      LEU  74 101.908   5.814  -1.036
  482   HD21  LEU  74          HD21      LEU  74 101.183   4.345  -3.368
  483   HD22  LEU  74          HD22      LEU  74 100.742   6.040  -3.153
  484   HD23  LEU  74          HD23      LEU  74  99.513   4.858  -3.608
  485    H    CYS  75           HN       CYS  75 100.339   4.013   2.163
  486    HA   CYS  75           HA       CYS  75  98.231   6.081   2.357
  487    HB2  CYS  75           HB2      CYS  75  99.430   4.634   4.724
  488    HB3  CYS  75           HB1      CYS  75  98.060   5.744   4.720
  489    H    GLN  76           HN       GLN  76  98.906   8.086   3.104
  490    HA   GLN  76           HA       GLN  76 101.831   8.486   3.135
  491    HB2  GLN  76           HB2      GLN  76 100.609   9.728   1.423
  492    HB3  GLN  76           HB1      GLN  76  99.572  10.442   2.657
  493    HG2  GLN  76           HG2      GLN  76 101.434  11.610   3.649
  494    HG3  GLN  76           HG1      GLN  76 102.584  10.749   2.630
  495   HE21  GLN  76          HE21      GLN  76 103.266  11.960   0.872
  496   HE22  GLN  76          HE22      GLN  76 102.348  13.154   0.092
  497    H    ARG  77           HN       ARG  77 102.845   9.159   4.894
  498    HA   ARG  77           HA       ARG  77 101.349   9.432   7.358
  499    HB2  ARG  77           HB2      ARG  77 104.124   9.977   7.840
  500    HB3  ARG  77           HB1      ARG  77 103.234   8.502   8.216
  501    HG2  ARG  77           HG2      ARG  77 103.698   7.638   5.973
  502    HG3  ARG  77           HG1      ARG  77 104.512   9.143   5.560
  503    HD2  ARG  77           HD2      ARG  77 106.079   7.297   6.203
  504    HD3  ARG  77           HD1      ARG  77 106.241   8.747   7.188
  505    HE   ARG  77           HE       ARG  77 105.114   6.168   8.036
  506   HH11  ARG  77          HH11      ARG  77 104.991   5.907  10.276
  507   HH12  ARG  77          HH12      ARG  77 105.237   7.266  11.322
  508   HH21  ARG  77          HH21      ARG  77 105.787   9.501   8.730
  509   HH22  ARG  77          HH22      ARG  77 105.704   9.295  10.446
  510    HA   PRO  78           HA       PRO  78 101.297  13.793   8.065
  511    HB2  PRO  78           HB2      PRO  78 103.293  13.520  10.286
  512    HB3  PRO  78           HB1      PRO  78 101.694  14.292  10.297
  513    HG2  PRO  78           HG2      PRO  78 102.075  11.917  11.431
  514    HG3  PRO  78           HG1      PRO  78 100.580  12.286  10.551
  515    HD2  PRO  78           HD2      PRO  78 102.891  10.581   9.701
  516    HD3  PRO  78           HD1      PRO  78 101.159  10.398   9.354
  517    H    ASP  79           HN       ASP  79 104.442  12.254   8.012
  518    HA   ASP  79           HA       ASP  79 105.994  14.593   7.509
  519    HB2  ASP  79           HB2      ASP  79 106.528  11.652   7.053
  520    HB3  ASP  79           HB1      ASP  79 107.722  12.916   6.780
  521    H    GLY  80           HN       GLY  80 103.782  12.887   5.627
  522    HA2  GLY  80           HA2      GLY  80 103.118  13.345   3.437
  523    HA3  GLY  80           HA1      GLY  80 104.543  14.363   3.246
  524    H    ALA  81           HN       ALA  81 105.257  11.331   4.586
  525    HA   ALA  81           HA       ALA  81 106.595  10.514   2.117
  526    HB1  ALA  81           HB1      ALA  81 107.833   9.012   3.463
  527    HB2  ALA  81           HB2      ALA  81 106.637   9.047   4.754
  528    HB3  ALA  81           HB3      ALA  81 107.645  10.458   4.453
  529    H    LEU  82           HN       LEU  82 106.172   8.667   0.986
  530    HA   LEU  82           HA       LEU  82 103.503   7.486   1.370
  531    HB2  LEU  82           HB2      LEU  82 105.480   7.625  -0.900
  532    HB3  LEU  82           HB1      LEU  82 104.187   6.434  -0.929
  533    HG   LEU  82           HG       LEU  82 102.493   8.113  -0.898
  534   HD11  LEU  82          HD11      LEU  82 103.183  10.571  -0.833
  535   HD12  LEU  82          HD12      LEU  82 104.753  10.015  -0.249
  536   HD13  LEU  82          HD13      LEU  82 103.294   9.694   0.690
  537   HD21  LEU  82          HD21      LEU  82 103.312   7.869  -3.114
  538   HD22  LEU  82          HD22      LEU  82 104.793   8.758  -2.759
  539   HD23  LEU  82          HD23      LEU  82 103.259   9.609  -2.858
  540    H    TYR  83           HN       TYR  83 103.203   5.382   2.000
  541    HA   TYR  83           HA       TYR  83 105.377   3.458   1.718
  542    HB2  TYR  83           HB2      TYR  83 105.629   2.945   4.037
  543    HB3  TYR  83           HB1      TYR  83 105.801   4.693   3.889
  544    HD1  TYR  83           HD1      TYR  83 104.045   2.051   5.529
  545    HD2  TYR  83           HD2      TYR  83 103.630   6.114   4.197
  546    HE1  TYR  83           HE1      TYR  83 102.141   2.365   7.085
  547    HE2  TYR  83           HE2      TYR  83 101.722   6.426   5.753
  548    HH   TYR  83           HH       TYR  83 100.929   5.367   7.922
  549    H    GLY  84           HN       GLY  84 104.720   1.335   1.776
  550    HA2  GLY  84           HA2      GLY  84 101.895   0.852   1.416
  551    HA3  GLY  84           HA1      GLY  84 103.182  -0.352   1.345
  552    H    SER  85           HN       SER  85 100.486   0.062   2.898
  553    HA   SER  85           HA       SER  85 101.537  -0.809   5.537
  554    HB2  SER  85           HB2      SER  85  99.851   0.376   6.649
  555    HB3  SER  85           HB1      SER  85 100.359   1.502   5.393
  556    HG   SER  85           HG       SER  85  98.305  -0.361   4.905
  557    H    LEU  86           HN       LEU  86 100.653  -2.613   6.411
  558    HA   LEU  86           HA       LEU  86  99.097  -4.303   4.674
  559    HB2  LEU  86           HB2      LEU  86 100.953  -4.792   6.627
  560    HB3  LEU  86           HB1      LEU  86  99.473  -5.122   7.512
  561    HG   LEU  86           HG       LEU  86 100.245  -7.187   6.510
  562   HD11  LEU  86          HD11      LEU  86  97.741  -6.479   6.426
  563   HD12  LEU  86          HD12      LEU  86  98.255  -7.883   5.492
  564   HD13  LEU  86          HD13      LEU  86  98.002  -6.338   4.686
  565   HD21  LEU  86          HD21      LEU  86 101.005  -7.441   4.345
  566   HD22  LEU  86          HD22      LEU  86 101.415  -5.743   4.560
  567   HD23  LEU  86          HD23      LEU  86  99.947  -6.194   3.694
  568    H    HIS  87           HN       HIS  87  98.511  -2.220   7.392
  569    HA   HIS  87           HA       HIS  87  95.720  -3.159   7.631
  570    HB2  HIS  87           HB2      HIS  87  97.052  -3.003   9.707
  571    HB3  HIS  87           HB1      HIS  87  97.295  -1.282   9.410
  572    HD2  HIS  87           HD2      HIS  87  93.954  -3.480   9.476
  573    HE1  HIS  87           HE1      HIS  87  93.341   0.074  11.669
  574    HE2  HIS  87           HE2      HIS  87  92.258  -2.085  10.889
  575    H    PHE  88           HN       PHE  88  94.009  -1.571   7.752
  576    HA   PHE  88           HA       PHE  88  94.427   0.581   5.803
  577    HB2  PHE  88           HB2      PHE  88  92.552  -0.902   5.396
  578    HB3  PHE  88           HB1      PHE  88  91.899  -0.572   7.002
  579    HD1  PHE  88           HD1      PHE  88  93.048   1.235   3.927
  580    HD2  PHE  88           HD2      PHE  88  90.305   1.146   7.233
  581    HE1  PHE  88           HE1      PHE  88  91.915   3.250   3.042
  582    HE2  PHE  88           HE2      PHE  88  89.170   3.165   6.344
  583    HZ   PHE  88           HZ       PHE  88  89.975   4.217   4.246
  584    H    ASP  89           HN       ASP  89  94.295   2.690   6.219
  585    HA   ASP  89           HA       ASP  89  93.356   3.618   8.859
  586    HB2  ASP  89           HB2      ASP  89  95.901   3.387   8.751
  587    HB3  ASP  89           HB1      ASP  89  95.863   4.696   7.573
  588    HA   PRO  90           HA       PRO  90  91.518   6.197   5.570
  589    HB2  PRO  90           HB2      PRO  90  89.528   7.376   7.037
  590    HB3  PRO  90           HB1      PRO  90  89.406   5.735   6.374
  591    HG2  PRO  90           HG2      PRO  90  90.057   6.609   9.150
  592    HG3  PRO  90           HG1      PRO  90  89.064   5.249   8.600
  593    HD2  PRO  90           HD2      PRO  90  91.659   4.975   9.473
  594    HD3  PRO  90           HD1      PRO  90  90.896   3.853   8.321
  595    H    GLU  91           HN       GLU  91  92.749   7.201   8.652
  596    HA   GLU  91           HA       GLU  91  92.618  10.026   8.216
  597    HB2  GLU  91           HB2      GLU  91  92.893   8.733  10.439
  598    HB3  GLU  91           HB1      GLU  91  94.601   8.654  10.023
  599    HG2  GLU  91           HG2      GLU  91  94.319  10.598  11.393
  600    HG3  GLU  91           HG1      GLU  91  94.540  11.180   9.747
  601    H    ALA  92           HN       ALA  92  94.513   7.622   6.800
  602    HA   ALA  92           HA       ALA  92  96.407   9.665   5.813
  603    HB1  ALA  92           HB1      ALA  92  97.712   8.633   7.496
  604    HB2  ALA  92           HB2      ALA  92  98.217   7.865   5.991
  605    HB3  ALA  92           HB3      ALA  92  97.117   7.024   7.084
  606    H    CYS  93           HN       CYS  93  94.837   6.550   5.404
  607    HA   CYS  93           HA       CYS  93  95.959   6.115   2.782
  608    HB2  CYS  93           HB2      CYS  93  93.635   4.676   4.046
  609    HB3  CYS  93           HB1      CYS  93  94.695   4.105   2.761
  610    H    SER  94           HN       SER  94  93.281   7.912   3.966
  611    HA   SER  94           HA       SER  94  91.662   7.602   1.583
  612    HB2  SER  94           HB2      SER  94  91.471   9.639   3.810
  613    HB3  SER  94           HB1      SER  94  90.253   9.338   2.575
  614    HG   SER  94           HG       SER  94  91.235   7.227   4.144
  615    H    PHE  95           HN       PHE  95  91.556   8.935  -0.159
  616    HA   PHE  95           HA       PHE  95  93.204  11.385  -0.206
  617    HB2  PHE  95           HB2      PHE  95  93.256   9.240  -2.338
  618    HB3  PHE  95           HB1      PHE  95  94.102  10.778  -2.396
  619    HD1  PHE  95           HD1      PHE  95  94.031   7.420  -0.916
  620    HD2  PHE  95           HD2      PHE  95  96.031  11.221  -0.939
  621    HE1  PHE  95           HE1      PHE  95  95.964   6.407   0.258
  622    HE2  PHE  95           HE2      PHE  95  97.966  10.211   0.237
  623    HZ   PHE  95           HZ       PHE  95  97.942   7.803   0.830
  624    H    ARG  96           HN       ARG  96  92.416  12.976  -1.506
  625    HA   ARG  96           HA       ARG  96  89.707  12.600  -2.590
  626    HB2  ARG  96           HB2      ARG  96  90.112  14.501  -1.038
  627    HB3  ARG  96           HB1      ARG  96  91.297  15.146  -2.174
  628    HG2  ARG  96           HG2      ARG  96  89.560  15.331  -3.906
  629    HG3  ARG  96           HG1      ARG  96  88.368  14.651  -2.798
  630    HD2  ARG  96           HD2      ARG  96  89.940  17.182  -2.255
  631    HD3  ARG  96           HD1      ARG  96  88.309  17.158  -2.920
  632    HE   ARG  96           HE       ARG  96  88.220  15.634  -0.599
  633   HH11  ARG  96          HH11      ARG  96  87.604  16.537   1.384
  634   HH12  ARG  96          HH12      ARG  96  87.725  18.248   1.629
  635   HH21  ARG  96          HH21      ARG  96  88.967  18.872  -1.555
  636   HH22  ARG  96          HH22      ARG  96  88.507  19.574  -0.040
  637    H    GLU  97           HN       GLU  97  89.271  12.817  -4.771
  638    HA   GLU  97           HA       GLU  97  91.603  12.787  -6.542
  639    HB2  GLU  97           HB2      GLU  97  89.962  12.171  -8.295
  640    HB3  GLU  97           HB1      GLU  97  89.921  11.080  -6.913
  641    HG2  GLU  97           HG2      GLU  97  88.001  12.444  -6.000
  642    HG3  GLU  97           HG1      GLU  97  87.978  13.320  -7.529
  643    H    LEU  98           HN       LEU  98  92.315  14.496  -7.574
  644    HA   LEU  98           HA       LEU  98  90.569  16.884  -7.850
  645    HB2  LEU  98           HB2      LEU  98  93.586  16.773  -7.902
  646    HB3  LEU  98           HB1      LEU  98  92.570  18.203  -7.760
  647    HG   LEU  98           HG       LEU  98  92.796  15.969  -5.724
  648   HD11  LEU  98          HD11      LEU  98  93.780  18.834  -5.742
  649   HD12  LEU  98          HD12      LEU  98  94.772  17.376  -5.726
  650   HD13  LEU  98          HD13      LEU  98  93.789  17.790  -4.321
  651   HD21  LEU  98          HD21      LEU  98  90.587  16.787  -5.528
  652   HD22  LEU  98          HD22      LEU  98  91.073  18.445  -5.883
  653   HD23  LEU  98          HD23      LEU  98  91.485  17.715  -4.331
  654    H    LEU  99           HN       LEU  99  90.120  17.599  -9.860
  655    HA   LEU  99           HA       LEU  99  91.638  16.447 -12.137
  656    HB2  LEU  99           HB2      LEU  99  88.751  16.720 -11.635
  657    HB3  LEU  99           HB1      LEU  99  89.221  17.387 -13.192
  658    HG   LEU  99           HG       LEU  99  88.577  14.973 -13.293
  659   HD11  LEU  99          HD11      LEU  99  90.145  14.459 -14.912
  660   HD12  LEU  99          HD12      LEU  99  91.502  15.042 -13.956
  661   HD13  LEU  99          HD13      LEU  99  90.436  16.191 -14.762
  662   HD21  LEU  99          HD21      LEU  99  89.775  14.598 -10.952
  663   HD22  LEU  99          HD22      LEU  99  91.166  14.230 -11.970
  664   HD23  LEU  99          HD23      LEU  99  89.683  13.299 -12.137
  665    H    LEU 100           HN       LEU 100  92.677  17.761 -13.418
  666    HA   LEU 100           HA       LEU 100  92.415  20.666 -13.002
  667    HB2  LEU 100           HB2      LEU 100  94.541  19.013 -14.388
  668    HB3  LEU 100           HB1      LEU 100  94.571  20.770 -14.240
  669    HG   LEU 100           HG       LEU 100  94.455  18.855 -11.888
  670   HD11  LEU 100          HD11      LEU 100  96.843  19.526 -11.559
  671   HD12  LEU 100          HD12      LEU 100  96.788  20.349 -13.117
  672   HD13  LEU 100          HD13      LEU 100  96.581  18.600 -13.039
  673   HD21  LEU 100          HD21      LEU 100  95.342  21.096 -10.787
  674   HD22  LEU 100          HD22      LEU 100  93.620  20.880 -11.066
  675   HD23  LEU 100          HD23      LEU 100  94.576  21.854 -12.183
  676    H    GLU 101           HN       GLU 101  91.938  22.065 -14.658
  677    HA   GLU 101           HA       GLU 101  90.191  21.246 -16.662
  678    HB2  GLU 101           HB2      GLU 101  90.577  23.481 -17.649
  679    HB3  GLU 101           HB1      GLU 101  90.345  23.561 -15.902
  680    HG2  GLU 101           HG2      GLU 101  92.803  23.603 -15.592
  681    HG3  GLU 101           HG1      GLU 101  93.012  23.593 -17.343
  682    H    ASP 102           HN       ASP 102  93.600  21.076 -16.520
  683    HA   ASP 102           HA       ASP 102  94.109  21.038 -19.342
  684    HB2  ASP 102           HB2      ASP 102  95.748  20.178 -16.953
  685    HB3  ASP 102           HB1      ASP 102  96.340  20.140 -18.612
  686    H    GLY 103           HN       GLY 103  92.624  18.852 -17.274
  687    HA2  GLY 103           HA2      GLY 103  91.715  16.784 -17.894
  688    HA3  GLY 103           HA1      GLY 103  92.822  16.719 -19.260
  689    H    TYR 104           HN       TYR 104  94.179  17.544 -16.196
  690    HA   TYR 104           HA       TYR 104  95.422  14.853 -16.019
  691    HB2  TYR 104           HB2      TYR 104  96.349  17.592 -15.146
  692    HB3  TYR 104           HB1      TYR 104  97.109  16.110 -14.566
  693    HD1  TYR 104           HD1      TYR 104  96.237  18.010 -17.655
  694    HD2  TYR 104           HD2      TYR 104  98.647  14.907 -15.925
  695    HE1  TYR 104           HE1      TYR 104  97.574  17.885 -19.740
  696    HE2  TYR 104           HE2      TYR 104  99.982  14.779 -18.008
  697    HH   TYR 104           HH       TYR 104 100.313  15.616 -20.032
  698    H    ASN 105           HN       ASN 105  95.330  13.702 -14.141
  699    HA   ASN 105           HA       ASN 105  93.500  14.739 -12.053
  700    HB2  ASN 105           HB2      ASN 105  94.207  11.833 -12.378
  701    HB3  ASN 105           HB1      ASN 105  92.750  12.556 -11.699
  702   HD21  ASN 105          HD21      ASN 105  91.035  12.076 -13.069
  703   HD22  ASN 105          HD22      ASN 105  91.091  12.162 -14.762
  704    H    VAL 106           HN       VAL 106  94.134  14.801  -9.956
  705    HA   VAL 106           HA       VAL 106  96.791  13.695  -9.256
  706    HB   VAL 106           HB       VAL 106  95.845  16.349  -8.179
  707   HG11  VAL 106          HG11      VAL 106  97.691  15.211  -7.030
  708   HG12  VAL 106          HG12      VAL 106  98.284  16.650  -7.859
  709   HG13  VAL 106          HG13      VAL 106  98.563  15.055  -8.556
  710   HG21  VAL 106          HG21      VAL 106  97.461  17.296  -9.973
  711   HG22  VAL 106          HG22      VAL 106  95.847  16.821 -10.499
  712   HG23  VAL 106          HG23      VAL 106  97.218  15.760 -10.805
  713    H    TYR 107           HN       TYR 107  97.079  13.336  -6.963
  714    HA   TYR 107           HA       TYR 107  94.511  12.907  -5.527
  715    HB2  TYR 107           HB2      TYR 107  97.050  11.265  -5.446
  716    HB3  TYR 107           HB1      TYR 107  95.620  10.976  -4.455
  717    HD1  TYR 107           HD1      TYR 107  97.079  10.739  -7.803
  718    HD2  TYR 107           HD2      TYR 107  93.485  10.265  -5.496
  719    HE1  TYR 107           HE1      TYR 107  96.043   9.485  -9.674
  720    HE2  TYR 107           HE2      TYR 107  92.448   9.011  -7.369
  721    HH   TYR 107           HH       TYR 107  93.683   9.001 -10.479
  722    H    GLN 108           HN       GLN 108  94.339  13.604  -3.492
  723    HA   GLN 108           HA       GLN 108  96.714  14.708  -2.109
  724    HB2  GLN 108           HB2      GLN 108  95.457  16.537  -3.259
  725    HB3  GLN 108           HB1      GLN 108  94.020  16.078  -2.348
  726    HG2  GLN 108           HG2      GLN 108  95.252  16.499  -0.230
  727    HG3  GLN 108           HG1      GLN 108  96.648  17.021  -1.170
  728   HE21  GLN 108          HE21      GLN 108  95.162  18.729   0.680
  729   HE22  GLN 108          HE22      GLN 108  94.480  19.982  -0.238
  730    H    SER 109           HN       SER 109  96.701  14.384   0.096
  731    HA   SER 109           HA       SER 109  94.863  12.450   1.149
  732    HB2  SER 109           HB2      SER 109  96.723  14.196   2.767
  733    HB3  SER 109           HB1      SER 109  96.133  12.583   3.158
  734    HG   SER 109           HG       SER 109  97.852  13.306   1.014
  735    H    GLU 110           HN       GLU 110  93.011  12.781   2.302
  736    HA   GLU 110           HA       GLU 110  91.958  15.482   2.413
  737    HB2  GLU 110           HB2      GLU 110  89.887  14.417   3.065
  738    HB3  GLU 110           HB1      GLU 110  90.581  13.530   1.712
  739    HG2  GLU 110           HG2      GLU 110  91.569  11.915   3.336
  740    HG3  GLU 110           HG1      GLU 110  90.742  12.758   4.642
  741    H    ALA 111           HN       ALA 111  93.252  13.113   4.628
  742    HA   ALA 111           HA       ALA 111  92.255  14.243   7.028
  743    HB1  ALA 111           HB1      ALA 111  93.140  11.920   6.764
  744    HB2  ALA 111           HB2      ALA 111  93.813  12.788   8.145
  745    HB3  ALA 111           HB3      ALA 111  94.760  12.611   6.667
  746    H    HIS 112           HN       HIS 112  95.511  14.484   5.557
  747    HA   HIS 112           HA       HIS 112  96.121  16.709   7.404
  748    HB2  HIS 112           HB2      HIS 112  97.866  14.922   5.724
  749    HB3  HIS 112           HB1      HIS 112  98.465  16.268   6.685
  750    HD2  HIS 112           HD2      HIS 112  98.504  15.804   9.489
  751    HE1  HIS 112           HE1      HIS 112  97.087  11.832   9.314
  752    HE2  HIS 112           HE2      HIS 112  98.074  13.608  10.836
  753    H    GLY 113           HN       GLY 113  95.480  16.080   4.054
  754    HA2  GLY 113           HA2      GLY 113  95.205  17.671   2.353
  755    HA3  GLY 113           HA1      GLY 113  95.829  18.900   3.443
  756    H    LEU 114           HN       LEU 114  97.747  16.087   3.308
  757    HA   LEU 114           HA       LEU 114  99.962  17.505   2.205
  758    HB2  LEU 114           HB2      LEU 114  99.568  14.588   2.859
  759    HB3  LEU 114           HB1      LEU 114 101.107  15.269   2.347
  760    HG   LEU 114           HG       LEU 114  99.662  16.527   4.680
  761   HD11  LEU 114          HD11      LEU 114 100.588  14.992   6.242
  762   HD12  LEU 114          HD12      LEU 114 101.575  14.205   5.014
  763   HD13  LEU 114          HD13      LEU 114  99.830  13.978   5.021
  764   HD21  LEU 114          HD21      LEU 114 102.616  16.044   4.184
  765   HD22  LEU 114          HD22      LEU 114 101.894  17.150   5.351
  766   HD23  LEU 114          HD23      LEU 114 101.776  17.489   3.625
  767    HA   PRO 115           HA       PRO 115  99.092  16.352  -2.063
  768    HB2  PRO 115           HB2      PRO 115 101.369  17.205  -3.251
  769    HB3  PRO 115           HB1      PRO 115 100.179  18.351  -2.596
  770    HG2  PRO 115           HG2      PRO 115 102.717  17.362  -1.352
  771    HG3  PRO 115           HG1      PRO 115 102.105  19.023  -1.475
  772    HD2  PRO 115           HD2      PRO 115 101.805  17.531   0.790
  773    HD3  PRO 115           HD1      PRO 115 100.605  18.746   0.288
  774    H    LEU 116           HN       LEU 116  99.706  14.672  -3.553
  775    HA   LEU 116           HA       LEU 116 101.426  12.618  -2.341
  776    HB2  LEU 116           HB2      LEU 116  99.075  12.159  -3.235
  777    HB3  LEU 116           HB1      LEU 116  99.748  12.364  -4.848
  778    HG   LEU 116           HG       LEU 116 101.136  10.466  -2.963
  779   HD11  LEU 116          HD11      LEU 116  99.649   8.631  -3.754
  780   HD12  LEU 116          HD12      LEU 116  98.579   9.848  -4.444
  781   HD13  LEU 116          HD13      LEU 116  98.836   9.787  -2.701
  782   HD21  LEU 116          HD21      LEU 116 100.641  10.550  -5.956
  783   HD22  LEU 116          HD22      LEU 116 101.417   9.200  -5.134
  784   HD23  LEU 116          HD23      LEU 116 102.179  10.787  -5.124
  785    H    HIS 117           HN       HIS 117 103.442  12.274  -3.006
  786    HA   HIS 117           HA       HIS 117 104.240  12.804  -5.767
  787    HB2  HIS 117           HB2      HIS 117 106.128  14.239  -5.086
  788    HB3  HIS 117           HB1      HIS 117 104.578  14.981  -4.683
  789    HD2  HIS 117           HD2      HIS 117 107.645  13.349  -2.823
  790    HE1  HIS 117           HE1      HIS 117 105.081  15.030   0.080
  791    HE2  HIS 117           HE2      HIS 117 107.338  13.926  -0.294
  792    H    LEU 118           HN       LEU 118 106.436  12.026  -6.214
  793    HA   LEU 118           HA       LEU 118 106.940   9.538  -4.843
  794    HB2  LEU 118           HB2      LEU 118 108.532  10.844  -7.054
  795    HB3  LEU 118           HB1      LEU 118 108.620   9.159  -6.549
  796    HG   LEU 118           HG       LEU 118 106.153  10.510  -7.688
  797   HD11  LEU 118          HD11      LEU 118 108.094   8.510  -8.894
  798   HD12  LEU 118          HD12      LEU 118 107.922  10.201  -9.373
  799   HD13  LEU 118          HD13      LEU 118 106.601   9.067  -9.655
  800   HD21  LEU 118          HD21      LEU 118 106.752   7.731  -6.663
  801   HD22  LEU 118          HD22      LEU 118 105.513   7.985  -7.890
  802   HD23  LEU 118          HD23      LEU 118 105.360   8.758  -6.316
  803    HA   PRO 119           HA       PRO 119 109.910  11.753  -2.228
  804    HB2  PRO 119           HB2      PRO 119 110.458   9.786  -0.441
  805    HB3  PRO 119           HB1      PRO 119 108.928  10.685  -0.415
  806    HG2  PRO 119           HG2      PRO 119 109.504   7.968  -1.513
  807    HG3  PRO 119           HG1      PRO 119 108.102   8.534  -0.586
  808    HD2  PRO 119           HD2      PRO 119 108.104   8.254  -3.335
  809    HD3  PRO 119           HD1      PRO 119 107.040   9.384  -2.465
  810    H    GLY 120           HN       GLY 120 112.087  11.984  -2.381
  811    HA2  GLY 120           HA2      GLY 120 113.574  10.024  -3.991
  812    HA3  GLY 120           HA1      GLY 120 114.071  11.675  -3.631
  813    H    ASN 121           HN       ASN 121 114.203  11.998  -1.077
  814    HA   ASN 121           HA       ASN 121 115.708  11.658   0.650
  815    HB2  ASN 121           HB2      ASN 121 114.313   8.973   0.535
  816    HB3  ASN 121           HB1      ASN 121 115.240   9.582   1.904
  817   HD21  ASN 121          HD21      ASN 121 113.384  11.917   0.072
  818   HD22  ASN 121          HD22      ASN 121 112.156  12.125   1.223
  819    H    LYS 122           HN       LYS 122 117.046   9.451   1.585
  820    HA   LYS 122           HA       LYS 122 118.917   8.166   1.283
  821    HB2  LYS 122           HB2      LYS 122 117.367   7.315  -0.697
  822    HB3  LYS 122           HB1      LYS 122 118.551   8.144  -1.703
  823    HG2  LYS 122           HG2      LYS 122 120.359   6.813  -0.761
  824    HG3  LYS 122           HG1      LYS 122 119.258   6.062   0.393
  825    HD2  LYS 122           HD2      LYS 122 117.976   5.073  -1.470
  826    HD3  LYS 122           HD1      LYS 122 119.088   5.812  -2.624
  827    HE2  LYS 122           HE2      LYS 122 120.959   4.542  -1.662
  828    HE3  LYS 122           HE1      LYS 122 119.874   3.827  -0.469
  829    HZ1  LYS 122           HZ1      LYS 122 119.946   3.401  -3.388
  830    HZ2  LYS 122           HZ2      LYS 122 118.536   3.080  -2.498
  831    HZ3  LYS 122           HZ3      LYS 122 119.973   2.246  -2.145
  832    H    SER 123           HN       SER 123 118.426  11.049  -0.576
  833    HA   SER 123           HA       SER 123 121.123  11.878  -0.145
  834    HB2  SER 123           HB2      SER 123 121.378  10.366  -2.107
  835    HB3  SER 123           HB1      SER 123 120.289  11.417  -3.008
  836    HG   SER 123           HG       SER 123 122.646  11.813  -3.183
  837    HA   PRO 124           HA       PRO 124 118.735  15.718  -0.222
  838    HB2  PRO 124           HB2      PRO 124 121.320  16.998  -1.027
  839    HB3  PRO 124           HB1      PRO 124 120.224  17.417   0.304
  840    HG2  PRO 124           HG2      PRO 124 122.568  16.152   0.706
  841    HG3  PRO 124           HG1      PRO 124 121.146  15.873   1.726
  842    HD2  PRO 124           HD2      PRO 124 122.352  14.091  -0.337
  843    HD3  PRO 124           HD1      PRO 124 121.384  13.683   1.099
  844    H    HIS 125           HN       HIS 125 117.650  16.806  -1.846
  845    HA   HIS 125           HA       HIS 125 118.041  15.944  -4.542
  846    HB2  HIS 125           HB2      HIS 125 116.287  17.871  -4.925
  847    HB3  HIS 125           HB1      HIS 125 115.810  16.412  -4.059
  848    HD2  HIS 125           HD2      HIS 125 115.223  16.780  -1.331
  849    HE1  HIS 125           HE1      HIS 125 116.049  20.918  -1.201
  850    HE2  HIS 125           HE2      HIS 125 115.099  18.957   0.104
  851    H    ARG 126           HN       ARG 126 119.684  16.594  -5.728
  852    HA   ARG 126           HA       ARG 126 121.059  19.082  -5.324
  853    HB2  ARG 126           HB2      ARG 126 121.266  16.915  -7.418
  854    HB3  ARG 126           HB1      ARG 126 122.304  18.341  -7.398
  855    HG2  ARG 126           HG2      ARG 126 123.090  17.768  -5.147
  856    HG3  ARG 126           HG1      ARG 126 122.011  16.374  -5.110
  857    HD2  ARG 126           HD2      ARG 126 123.192  15.390  -7.029
  858    HD3  ARG 126           HD1      ARG 126 124.261  16.790  -7.098
  859    HE   ARG 126           HE       ARG 126 124.550  15.873  -4.536
  860   HH11  ARG 126          HH11      ARG 126 126.082  14.306  -3.938
  861   HH12  ARG 126          HH12      ARG 126 126.677  13.189  -5.120
  862   HH21  ARG 126          HH21      ARG 126 124.756  14.492  -7.698
  863   HH22  ARG 126          HH22      ARG 126 125.928  13.298  -7.255
  864    H    ASP 127           HN       ASP 127 118.927  17.778  -7.844
  865    HA   ASP 127           HA       ASP 127 118.952  20.254  -9.332
  866    HB2  ASP 127           HB2      ASP 127 117.222  17.798  -9.675
  867    HB3  ASP 127           HB1      ASP 127 117.414  19.100 -10.844
  868    HA   PRO 128           HA       PRO 128 115.523  22.295  -7.368
  869    HB2  PRO 128           HB2      PRO 128 114.180  22.569 -10.030
  870    HB3  PRO 128           HB1      PRO 128 114.599  23.822  -8.845
  871    HG2  PRO 128           HG2      PRO 128 115.987  23.500 -11.115
  872    HG3  PRO 128           HG1      PRO 128 116.761  24.009  -9.604
  873    HD2  PRO 128           HD2      PRO 128 116.866  21.352 -10.971
  874    HD3  PRO 128           HD1      PRO 128 118.083  22.161  -9.958
  875    H    ALA 129           HN       ALA 129 113.642  21.614  -6.408
  876    HA   ALA 129           HA       ALA 129 112.661  19.006  -7.060
  877    HB1  ALA 129           HB1      ALA 129 112.631  20.685  -4.800
  878    HB2  ALA 129           HB2      ALA 129 111.922  19.075  -4.907
  879    HB3  ALA 129           HB3      ALA 129 110.932  20.499  -5.229
  880    HA   PRO 130           HA       PRO 130 109.160  19.820  -9.622
  881    HB2  PRO 130           HB2      PRO 130 107.166  19.026  -7.545
  882    HB3  PRO 130           HB1      PRO 130 107.449  18.334  -9.154
  883    HG2  PRO 130           HG2      PRO 130 108.190  17.052  -6.928
  884    HG3  PRO 130           HG1      PRO 130 109.156  16.973  -8.413
  885    HD2  PRO 130           HD2      PRO 130 109.663  18.568  -5.918
  886    HD3  PRO 130           HD1      PRO 130 110.815  17.737  -6.986
  887    H    ARG 131           HN       ARG 131 107.916  21.575 -10.176
  888    HA   ARG 131           HA       ARG 131 107.879  23.863  -8.511
  889    HB2  ARG 131           HB2      ARG 131 107.787  23.943 -10.999
  890    HB3  ARG 131           HB1      ARG 131 106.150  23.290 -10.932
  891    HG2  ARG 131           HG2      ARG 131 105.410  25.225  -9.608
  892    HG3  ARG 131           HG1      ARG 131 107.049  25.874  -9.625
  893    HD2  ARG 131           HD2      ARG 131 106.967  26.032 -12.082
  894    HD3  ARG 131           HD1      ARG 131 105.329  25.380 -12.072
  895    HE   ARG 131           HE       ARG 131 105.622  27.728 -10.422
  896   HH11  ARG 131          HH11      ARG 131 104.578  29.601 -11.160
  897   HH12  ARG 131          HH12      ARG 131 104.016  29.687 -12.797
  898   HH21  ARG 131          HH21      ARG 131 105.118  26.495 -13.611
  899   HH22  ARG 131          HH22      ARG 131 104.314  27.916 -14.187
  900    H    GLY 132           HN       GLY 132 105.451  21.420  -9.305
  901    HA2  GLY 132           HA2      GLY 132 103.890  22.229  -6.933
  902    HA3  GLY 132           HA1      GLY 132 103.076  22.109  -8.491
  903    HA   PRO 133           HA       PRO 133 102.839  17.991  -6.315
  904    HB2  PRO 133           HB2      PRO 133 100.097  18.061  -7.465
  905    HB3  PRO 133           HB1      PRO 133 100.607  17.726  -5.800
  906    HG2  PRO 133           HG2      PRO 133  99.400  20.024  -6.467
  907    HG3  PRO 133           HG1      PRO 133 100.668  19.958  -5.228
  908    HD2  PRO 133           HD2      PRO 133 100.867  20.897  -8.079
  909    HD3  PRO 133           HD1      PRO 133 101.623  21.571  -6.616
  910    H    ALA 134           HN       ALA 134 102.899  15.924  -7.292
  911    HA   ALA 134           HA       ALA 134 103.582  15.903 -10.080
  912    HB1  ALA 134           HB1      ALA 134 103.864  13.469  -9.738
  913    HB2  ALA 134           HB2      ALA 134 103.188  13.633  -8.118
  914    HB3  ALA 134           HB3      ALA 134 104.718  14.414  -8.519
  915    H    ARG 135           HN       ARG 135 102.183  15.860 -11.687
  916    HA   ARG 135           HA       ARG 135  99.405  15.191 -11.315
  917    HB2  ARG 135           HB2      ARG 135 101.030  15.788 -13.800
  918    HB3  ARG 135           HB1      ARG 135  99.281  15.562 -13.779
  919    HG2  ARG 135           HG2      ARG 135  99.036  17.434 -12.210
  920    HG3  ARG 135           HG1      ARG 135 100.786  17.653 -12.183
  921    HD2  ARG 135           HD2      ARG 135  99.103  17.839 -14.693
  922    HD3  ARG 135           HD1      ARG 135  99.583  19.232 -13.729
  923    HE   ARG 135           HE       ARG 135 101.876  17.701 -14.397
  924   HH11  ARG 135          HH11      ARG 135 103.208  18.422 -16.095
  925   HH12  ARG 135          HH12      ARG 135 102.597  19.574 -17.235
  926   HH21  ARG 135          HH21      ARG 135  99.482  19.812 -15.736
  927   HH22  ARG 135          HH22      ARG 135 100.494  20.365 -17.028
  928    H    PHE 136           HN       PHE 136  98.358  13.349 -11.867
  929    HA   PHE 136           HA       PHE 136  99.972  11.124 -12.978
  930    HB2  PHE 136           HB2      PHE 136  98.416  11.321 -10.449
  931    HB3  PHE 136           HB1      PHE 136  98.218   9.817 -11.347
  932    HD1  PHE 136           HD1      PHE 136 100.534  11.890  -9.381
  933    HD2  PHE 136           HD2      PHE 136 100.154   8.380 -11.832
  934    HE1  PHE 136           HE1      PHE 136 102.715  11.053  -8.532
  935    HE2  PHE 136           HE2      PHE 136 102.324   7.546 -10.979
  936    HZ   PHE 136           HZ       PHE 136 103.605   8.879  -9.335
  937    H    LEU 137           HN       LEU 137  98.946   9.640 -14.217
  938    HA   LEU 137           HA       LEU 137  96.193  10.243 -15.113
  939    HB2  LEU 137           HB2      LEU 137  98.705   9.773 -16.687
  940    HB3  LEU 137           HB1      LEU 137  97.161   9.282 -17.377
  941    HG   LEU 137           HG       LEU 137  97.444  12.063 -16.238
  942   HD11  LEU 137          HD11      LEU 137  98.418  11.123 -18.950
  943   HD12  LEU 137          HD12      LEU 137  99.369  11.916 -17.695
  944   HD13  LEU 137          HD13      LEU 137  98.115  12.813 -18.552
  945   HD21  LEU 137          HD21      LEU 137  95.694  12.576 -17.792
  946   HD22  LEU 137          HD22      LEU 137  95.247  11.030 -17.071
  947   HD23  LEU 137          HD23      LEU 137  95.954  11.079 -18.684
  948    HA   PRO 138           HA       PRO 138  96.359   5.879 -13.798
  949    HB2  PRO 138           HB2      PRO 138  93.728   5.475 -13.336
  950    HB3  PRO 138           HB1      PRO 138  94.737   6.430 -12.233
  951    HG2  PRO 138           HG2      PRO 138  92.835   7.366 -14.338
  952    HG3  PRO 138           HG1      PRO 138  93.083   7.981 -12.693
  953    HD2  PRO 138           HD2      PRO 138  94.184   9.146 -14.945
  954    HD3  PRO 138           HD1      PRO 138  94.891   9.291 -13.319
  955    H    LEU 139           HN       LEU 139  96.563   4.218 -15.199
  956    HA   LEU 139           HA       LEU 139  95.108   4.258 -17.745
  957    HB2  LEU 139           HB2      LEU 139  97.030   2.054 -17.091
  958    HB3  LEU 139           HB1      LEU 139  96.793   2.917 -18.601
  959    HG   LEU 139           HG       LEU 139  98.155   4.048 -16.139
  960   HD11  LEU 139          HD11      LEU 139 100.197   3.860 -17.499
  961   HD12  LEU 139          HD12      LEU 139  99.265   3.156 -18.819
  962   HD13  LEU 139          HD13      LEU 139  99.445   2.276 -17.303
  963   HD21  LEU 139          HD21      LEU 139  98.846   5.791 -17.931
  964   HD22  LEU 139          HD22      LEU 139  97.200   5.883 -17.307
  965   HD23  LEU 139          HD23      LEU 139  97.506   5.150 -18.881
  966    HA   PRO 140           HA       PRO 140  92.233   1.169 -16.361
  967    HB2  PRO 140           HB2      PRO 140  91.643  -0.136 -18.697
  968    HB3  PRO 140           HB1      PRO 140  91.058   1.499 -18.327
  969    HG2  PRO 140           HG2      PRO 140  93.369   0.660 -20.026
  970    HG3  PRO 140           HG1      PRO 140  92.159   1.924 -20.316
  971    HD2  PRO 140           HD2      PRO 140  94.665   2.485 -19.387
  972    HD3  PRO 140           HD1      PRO 140  93.248   3.468 -18.959
  973    H    GLY 141           HN       GLY 141  92.817  -0.568 -15.146
  974    HA2  GLY 141           HA2      GLY 141  94.982  -2.324 -16.012
  975    HA3  GLY 141           HA1      GLY 141  94.179  -2.341 -14.445
  Start of MODEL    5
    1    H1   GLY  13           HT1      GLY  13  82.421   2.479 -13.510
    2    H2   GLY  13           HT2      GLY  13  82.963   3.438 -12.216
    3    H3   GLY  13           HT3      GLY  13  81.323   3.007 -12.331
    4    HA2  GLY  13           HA2      GLY  13  81.669   0.859 -11.649
    5    HA3  GLY  13           HA1      GLY  13  83.355   0.891 -12.169
    6    H    GLN  14           HN       GLN  14  81.990   0.312  -9.508
    7    HA   GLN  14           HA       GLN  14  82.630   2.379  -7.678
    8    HB2  GLN  14           HB2      GLN  14  82.226  -0.598  -7.372
    9    HB3  GLN  14           HB1      GLN  14  82.598   0.442  -5.997
   10    HG2  GLN  14           HG2      GLN  14  80.174   0.177  -6.202
   11    HG3  GLN  14           HG1      GLN  14  80.625   1.845  -6.552
   12   HE21  GLN  14          HE21      GLN  14  78.985   2.384  -8.063
   13   HE22  GLN  14          HE22      GLN  14  78.767   1.569  -9.535
   14    H    VAL  15           HN       VAL  15  84.419  -0.414  -8.882
   15    HA   VAL  15           HA       VAL  15  86.917   0.744  -7.794
   16    HB   VAL  15           HB       VAL  15  86.388  -1.020  -6.293
   17   HG11  VAL  15          HG11      VAL  15  84.685  -2.229  -7.418
   18   HG12  VAL  15          HG12      VAL  15  86.017  -3.372  -7.236
   19   HG13  VAL  15          HG13      VAL  15  85.738  -2.582  -8.789
   20   HG21  VAL  15          HG21      VAL  15  88.741  -0.946  -7.315
   21   HG22  VAL  15          HG22      VAL  15  88.240  -2.318  -8.299
   22   HG23  VAL  15          HG23      VAL  15  88.276  -2.461  -6.542
   23    H    ARG  16           HN       ARG  16  88.655   0.623  -9.105
   24    HA   ARG  16           HA       ARG  16  88.461  -0.884 -11.643
   25    HB2  ARG  16           HB2      ARG  16  88.984   2.080 -11.348
   26    HB3  ARG  16           HB1      ARG  16  89.346   1.174 -12.817
   27    HG2  ARG  16           HG2      ARG  16  87.002   0.542 -13.055
   28    HG3  ARG  16           HG1      ARG  16  86.608   1.309 -11.517
   29    HD2  ARG  16           HD2      ARG  16  87.776   2.791 -13.884
   30    HD3  ARG  16           HD1      ARG  16  86.054   2.719 -13.519
   31    HE   ARG  16           HE       ARG  16  87.404   3.578 -11.207
   32   HH11  ARG  16          HH11      ARG  16  87.465   5.777 -10.696
   33   HH12  ARG  16          HH12      ARG  16  87.174   6.961 -11.925
   34   HH21  ARG  16          HH21      ARG  16  86.718   4.608 -14.439
   35   HH22  ARG  16          HH22      ARG  16  86.733   6.295 -14.051
   36    H    GLN  17           HN       GLN  17  90.469  -1.352 -12.620
   37    HA   GLN  17           HA       GLN  17  92.801  -1.107 -10.807
   38    HB2  GLN  17           HB2      GLN  17  93.453  -2.953 -12.835
   39    HB3  GLN  17           HB1      GLN  17  92.985  -3.345 -11.183
   40    HG2  GLN  17           HG2      GLN  17  90.634  -3.440 -11.860
   41    HG3  GLN  17           HG1      GLN  17  91.076  -2.990 -13.505
   42   HE21  GLN  17          HE21      GLN  17  93.570  -4.647 -13.457
   43   HE22  GLN  17          HE22      GLN  17  93.050  -6.258 -13.576
   44    H    ARG  18           HN       ARG  18  94.354   0.320 -11.359
   45    HA   ARG  18           HA       ARG  18  94.969   0.715 -14.198
   46    HB2  ARG  18           HB2      ARG  18  94.335   3.064 -12.397
   47    HB3  ARG  18           HB1      ARG  18  94.784   3.126 -14.100
   48    HG2  ARG  18           HG2      ARG  18  92.734   1.735 -14.598
   49    HG3  ARG  18           HG1      ARG  18  92.258   1.955 -12.917
   50    HD2  ARG  18           HD2      ARG  18  92.812   4.224 -14.844
   51    HD3  ARG  18           HD1      ARG  18  91.204   3.616 -14.462
   52    HE   ARG  18           HE       ARG  18  92.557   4.279 -12.061
   53   HH11  ARG  18          HH11      ARG  18  92.046   6.245 -11.038
   54   HH12  ARG  18          HH12      ARG  18  91.240   7.494 -11.925
   55   HH21  ARG  18          HH21      ARG  18  91.124   5.676 -14.880
   56   HH22  ARG  18          HH22      ARG  18  90.718   7.172 -14.107
   57    H    TYR  19           HN       TYR  19  97.022   1.651 -14.597
   58    HA   TYR  19           HA       TYR  19  98.941   1.282 -12.395
   59    HB2  TYR  19           HB2      TYR  19  99.283   1.769 -15.365
   60    HB3  TYR  19           HB1      TYR  19 100.627   1.689 -14.234
   61    HD1  TYR  19           HD1      TYR  19  97.682  -0.267 -15.475
   62    HD2  TYR  19           HD2      TYR  19 101.550  -0.381 -13.608
   63    HE1  TYR  19           HE1      TYR  19  97.705  -2.744 -15.655
   64    HE2  TYR  19           HE2      TYR  19 101.564  -2.847 -13.796
   65    HH   TYR  19           HH       TYR  19 100.111  -4.567 -15.644
   66    H    LEU  20           HN       LEU  20 100.051   2.970 -11.449
   67    HA   LEU  20           HA       LEU  20  99.184   5.681 -12.147
   68    HB2  LEU  20           HB2      LEU  20 100.033   4.339  -9.741
   69    HB3  LEU  20           HB1      LEU  20 101.120   5.694 -10.014
   70    HG   LEU  20           HG       LEU  20  99.113   7.176 -10.289
   71   HD11  LEU  20          HD11      LEU  20  96.999   6.057  -9.126
   72   HD12  LEU  20          HD12      LEU  20  97.717   4.571  -9.744
   73   HD13  LEU  20          HD13      LEU  20  97.279   5.868 -10.854
   74   HD21  LEU  20          HD21      LEU  20  99.457   5.639  -7.698
   75   HD22  LEU  20          HD22      LEU  20  98.525   7.129  -7.832
   76   HD23  LEU  20          HD23      LEU  20 100.257   7.141  -8.162
   77    H    TYR  21           HN       TYR  21 100.228   6.792 -13.618
   78    HA   TYR  21           HA       TYR  21 103.186   6.534 -13.821
   79    HB2  TYR  21           HB2      TYR  21 102.280   5.375 -15.715
   80    HB3  TYR  21           HB1      TYR  21 101.127   6.670 -16.031
   81    HD1  TYR  21           HD1      TYR  21 104.709   5.708 -16.169
   82    HD2  TYR  21           HD2      TYR  21 101.779   8.697 -17.139
   83    HE1  TYR  21           HE1      TYR  21 106.353   6.854 -17.636
   84    HE2  TYR  21           HE2      TYR  21 103.424   9.839 -18.597
   85    HH   TYR  21           HH       TYR  21 105.512   9.885 -19.318
   86    H    THR  22           HN       THR  22 104.300   8.432 -13.884
   87    HA   THR  22           HA       THR  22 102.803  10.940 -14.359
   88    HB   THR  22           HB       THR  22 102.926  10.792 -11.964
   89    HG1  THR  22           HG1      THR  22 105.123  12.390 -12.287
   90   HG21  THR  22          HG21      THR  22 105.058  10.466 -10.809
   91   HG22  THR  22          HG22      THR  22 105.878  10.300 -12.363
   92   HG23  THR  22          HG23      THR  22 104.696   9.092 -11.856
   93    H    SER  23           HN       SER  23 104.099  12.724 -15.009
   94    HA   SER  23           HA       SER  23 106.488  11.894 -16.510
   95    HB2  SER  23           HB2      SER  23 104.846  13.080 -17.813
   96    HB3  SER  23           HB1      SER  23 104.746  14.367 -16.613
   97    HG   SER  23           HG       SER  23 106.375  15.258 -17.572
   98    H    GLY  24           HN       GLY  24 108.495  12.517 -15.978
   99    HA2  GLY  24           HA2      GLY  24 108.841  14.558 -13.838
  100    HA3  GLY  24           HA1      GLY  24 109.844  13.114 -13.975
  101    HA   PRO  25           HA       PRO  25 111.866  16.843 -16.086
  102    HB2  PRO  25           HB2      PRO  25 114.197  15.436 -14.825
  103    HB3  PRO  25           HB1      PRO  25 113.855  17.174 -14.927
  104    HG2  PRO  25           HG2      PRO  25 113.506  15.846 -12.651
  105    HG3  PRO  25           HG1      PRO  25 112.376  17.120 -13.147
  106    HD2  PRO  25           HD2      PRO  25 112.005  14.145 -13.218
  107    HD3  PRO  25           HD1      PRO  25 110.809  15.422 -12.897
  108    H    HIS  26           HN       HIS  26 112.895  13.470 -15.762
  109    HA   HIS  26           HA       HIS  26 112.942  13.065 -18.609
  110    HB2  HIS  26           HB2      HIS  26 115.533  13.168 -17.054
  111    HB3  HIS  26           HB1      HIS  26 115.371  12.302 -18.583
  112    HD2  HIS  26           HD2      HIS  26 114.464  14.101 -20.781
  113    HE1  HIS  26           HE1      HIS  26 116.086  17.519 -18.912
  114    HE2  HIS  26           HE2      HIS  26 115.170  16.593 -21.089
  115    H    GLY  27           HN       GLY  27 114.693  11.640 -15.845
  116    HA2  GLY  27           HA2      GLY  27 114.448   9.595 -14.797
  117    HA3  GLY  27           HA1      GLY  27 112.880   9.441 -15.584
  118    H    LEU  28           HN       LEU  28 115.218  10.145 -17.864
  119    HA   LEU  28           HA       LEU  28 116.367   8.931 -19.435
  120    HB2  LEU  28           HB2      LEU  28 117.154   7.707 -17.267
  121    HB3  LEU  28           HB1      LEU  28 116.051   6.434 -17.774
  122    HG   LEU  28           HG       LEU  28 118.219   7.572 -19.562
  123   HD11  LEU  28          HD11      LEU  28 118.260   5.069 -17.855
  124   HD12  LEU  28          HD12      LEU  28 119.206   6.529 -17.564
  125   HD13  LEU  28          HD13      LEU  28 119.508   5.555 -19.003
  126   HD21  LEU  28          HD21      LEU  28 116.301   5.238 -19.736
  127   HD22  LEU  28          HD22      LEU  28 117.815   5.236 -20.640
  128   HD23  LEU  28          HD23      LEU  28 116.620   6.496 -20.932
  129    H    SER  29           HN       SER  29 113.986   6.716 -17.992
  130    HA   SER  29           HA       SER  29 112.639   6.494 -20.619
  131    HB2  SER  29           HB2      SER  29 112.395   4.107 -20.308
  132    HB3  SER  29           HB1      SER  29 114.103   4.520 -20.206
  133    HG   SER  29           HG       SER  29 112.658   4.600 -17.838
  134    H    SER  30           HN       SER  30 110.643   4.755 -19.858
  135    HA   SER  30           HA       SER  30 108.755   6.453 -18.688
  136    HB2  SER  30           HB2      SER  30 108.077   4.572 -20.067
  137    HB3  SER  30           HB1      SER  30 108.762   3.436 -18.910
  138    HG   SER  30           HG       SER  30 106.670   3.540 -18.349
  139    H    CYS  31           HN       CYS  31 107.813   6.550 -16.656
  140    HA   CYS  31           HA       CYS  31 109.219   5.152 -14.456
  141    HB2  CYS  31           HB2      CYS  31 110.038   7.432 -14.477
  142    HB3  CYS  31           HB1      CYS  31 108.395   8.065 -14.582
  143    H    HIS  32           HN       HIS  32 107.817   3.875 -13.452
  144    HA   HIS  32           HA       HIS  32 104.984   4.731 -13.204
  145    HB2  HIS  32           HB2      HIS  32 106.132   1.936 -13.421
  146    HB3  HIS  32           HB1      HIS  32 104.436   2.317 -13.129
  147    HD2  HIS  32           HD2      HIS  32 106.981   2.267 -16.084
  148    HE1  HIS  32           HE1      HIS  32 103.269   3.554 -17.626
  149    HE2  HIS  32           HE2      HIS  32 105.621   2.824 -18.241
  150    H    LEU  33           HN       LEU  33 104.023   4.536 -11.212
  151    HA   LEU  33           HA       LEU  33 105.756   4.486  -8.924
  152    HB2  LEU  33           HB2      LEU  33 103.403   5.673  -9.352
  153    HB3  LEU  33           HB1      LEU  33 102.772   4.181  -8.667
  154    HG   LEU  33           HG       LEU  33 104.788   6.039  -7.375
  155   HD11  LEU  33          HD11      LEU  33 101.860   5.463  -6.894
  156   HD12  LEU  33          HD12      LEU  33 102.618   7.017  -7.240
  157   HD13  LEU  33          HD13      LEU  33 102.881   6.235  -5.681
  158   HD21  LEU  33          HD21      LEU  33 105.399   3.942  -6.562
  159   HD22  LEU  33          HD22      LEU  33 103.747   3.316  -6.622
  160   HD23  LEU  33          HD23      LEU  33 104.216   4.464  -5.367
  161    H    GLU  34           HN       GLU  34 106.281   2.758  -7.659
  162    HA   GLU  34           HA       GLU  34 104.718   0.258  -7.958
  163    HB2  GLU  34           HB2      GLU  34 106.919  -0.974  -7.823
  164    HB3  GLU  34           HB1      GLU  34 106.637  -0.108  -9.334
  165    HG2  GLU  34           HG2      GLU  34 108.113   1.653  -8.721
  166    HG3  GLU  34           HG1      GLU  34 108.136   1.152  -7.032
  167    H    ILE  35           HN       ILE  35 104.589  -1.035  -6.185
  168    HA   ILE  35           HA       ILE  35 105.732   0.049  -3.654
  169    HB   ILE  35           HB       ILE  35 103.138  -1.487  -4.003
  170   HG12  ILE  35          HG12      ILE  35 103.567   1.426  -3.269
  171   HG13  ILE  35          HG11      ILE  35 103.129   0.882  -4.890
  172   HG21  ILE  35          HG21      ILE  35 102.808  -0.887  -1.627
  173   HG22  ILE  35          HG22      ILE  35 104.382  -0.096  -1.606
  174   HG23  ILE  35          HG23      ILE  35 104.278  -1.842  -1.825
  175   HD11  ILE  35          HD11      ILE  35 101.525   0.559  -2.343
  176   HD12  ILE  35          HD12      ILE  35 101.139  -0.292  -3.840
  177   HD13  ILE  35          HD13      ILE  35 101.079   1.469  -3.788
  178    H    ARG  36           HN       ARG  36 107.109  -1.279  -2.667
  179    HA   ARG  36           HA       ARG  36 107.514  -3.963  -3.699
  180    HB2  ARG  36           HB2      ARG  36 108.914  -2.257  -1.659
  181    HB3  ARG  36           HB1      ARG  36 109.304  -3.963  -1.829
  182    HG2  ARG  36           HG2      ARG  36 110.866  -2.959  -3.248
  183    HG3  ARG  36           HG1      ARG  36 109.588  -3.396  -4.373
  184    HD2  ARG  36           HD2      ARG  36 108.705  -1.123  -4.315
  185    HD3  ARG  36           HD1      ARG  36 109.877  -0.669  -3.080
  186    HE   ARG  36           HE       ARG  36 110.991  -1.702  -5.571
  187   HH11  ARG  36          HH11      ARG  36 112.341  -0.263  -6.676
  188   HH12  ARG  36          HH12      ARG  36 112.383   1.407  -6.216
  189   HH21  ARG  36          HH21      ARG  36 110.059   1.044  -3.670
  190   HH22  ARG  36          HH22      ARG  36 111.104   2.142  -4.510
  191    H    GLU  37           HN       GLU  37 107.664  -5.794  -2.311
  192    HA   GLU  37           HA       GLU  37 105.352  -6.132  -0.677
  193    HB2  GLU  37           HB2      GLU  37 106.289  -7.955  -2.049
  194    HB3  GLU  37           HB1      GLU  37 107.762  -7.925  -1.080
  195    HG2  GLU  37           HG2      GLU  37 106.517  -8.530   0.914
  196    HG3  GLU  37           HG1      GLU  37 104.995  -8.447   0.027
  197    H    ASP  38           HN       ASP  38 108.639  -5.227  -0.202
  198    HA   ASP  38           HA       ASP  38 108.820  -5.844   2.586
  199    HB2  ASP  38           HB2      ASP  38 110.765  -5.382   0.976
  200    HB3  ASP  38           HB1      ASP  38 110.363  -3.676   1.157
  201    H    GLY  39           HN       GLY  39 107.060  -3.645   0.802
  202    HA2  GLY  39           HA2      GLY  39 105.424  -2.205   1.710
  203    HA3  GLY  39           HA1      GLY  39 106.336  -2.127   3.210
  204    H    THR  40           HN       THR  40 108.448  -1.759   0.596
  205    HA   THR  40           HA       THR  40 108.621   1.119   1.145
  206    HB   THR  40           HB       THR  40 110.655   0.911  -0.415
  207    HG1  THR  40           HG1      THR  40 110.273  -1.017  -1.376
  208   HG21  THR  40          HG21      THR  40 110.422  -0.493   2.247
  209   HG22  THR  40          HG22      THR  40 111.024   1.133   1.927
  210   HG23  THR  40          HG23      THR  40 111.969  -0.271   1.430
  211    H    VAL  41           HN       VAL  41 108.950   2.627  -0.711
  212    HA   VAL  41           HA       VAL  41 107.269   1.896  -3.050
  213    HB   VAL  41           HB       VAL  41 107.176   4.499  -1.511
  214   HG11  VAL  41          HG11      VAL  41 105.146   4.841  -2.969
  215   HG12  VAL  41          HG12      VAL  41 105.636   3.411  -3.879
  216   HG13  VAL  41          HG13      VAL  41 106.674   4.836  -3.852
  217   HG21  VAL  41          HG21      VAL  41 106.179   2.653  -0.233
  218   HG22  VAL  41          HG22      VAL  41 105.238   2.165  -1.642
  219   HG23  VAL  41          HG23      VAL  41 104.909   3.708  -0.853
  220    H    GLY  42           HN       GLY  42 107.742   2.921  -4.997
  221    HA2  GLY  42           HA2      GLY  42 109.632   5.007  -5.317
  222    HA3  GLY  42           HA1      GLY  42 110.422   3.458  -5.577
  223    H    CYS  43           HN       CYS  43 110.621   4.748  -7.712
  224    HA   CYS  43           HA       CYS  43 108.298   4.495  -9.488
  225    HB2  CYS  43           HB2      CYS  43 109.556   6.536  -9.728
  226    HB3  CYS  43           HB1      CYS  43 111.073   5.649  -9.861
  227    H    ALA  44           HN       ALA  44 108.546   3.418 -11.593
  228    HA   ALA  44           HA       ALA  44 110.627   1.328 -11.722
  229    HB1  ALA  44           HB1      ALA  44 107.745   0.660 -12.304
  230    HB2  ALA  44           HB2      ALA  44 108.435   0.458 -10.699
  231    HB3  ALA  44           HB3      ALA  44 109.102  -0.438 -12.057
  232    H    ALA  45           HN       ALA  45 111.214   0.731 -13.786
  233    HA   ALA  45           HA       ALA  45 110.054   2.346 -15.993
  234    HB1  ALA  45           HB1      ALA  45 112.287   1.916 -17.094
  235    HB2  ALA  45           HB2      ALA  45 112.837   1.252 -15.556
  236    HB3  ALA  45           HB3      ALA  45 112.347   2.943 -15.662
  237    H    ASP  46           HN       ASP  46 110.169  -0.765 -14.747
  238    HA   ASP  46           HA       ASP  46 110.086  -2.068 -17.390
  239    HB2  ASP  46           HB2      ASP  46 110.252  -3.202 -14.593
  240    HB3  ASP  46           HB1      ASP  46 110.156  -4.177 -16.061
  241    H    GLN  47           HN       GLN  47 107.958  -0.594 -15.401
  242    HA   GLN  47           HA       GLN  47 105.721  -0.879 -14.861
  243    HB2  GLN  47           HB2      GLN  47 105.816  -0.035 -17.212
  244    HB3  GLN  47           HB1      GLN  47 105.675  -1.704 -17.769
  245    HG2  GLN  47           HG2      GLN  47 103.545  -1.943 -16.599
  246    HG3  GLN  47           HG1      GLN  47 103.697  -0.307 -15.959
  247   HE21  GLN  47          HE21      GLN  47 102.636   1.253 -17.160
  248   HE22  GLN  47          HE22      GLN  47 102.255   1.129 -18.809
  249    H    SER  48           HN       SER  48 105.687  -2.618 -13.417
  250    HA   SER  48           HA       SER  48 104.901  -5.222 -14.600
  251    HB2  SER  48           HB2      SER  48 106.118  -5.368 -11.916
  252    HB3  SER  48           HB1      SER  48 106.469  -6.315 -13.361
  253    HG   SER  48           HG       SER  48 107.982  -4.940 -13.899
  254    HA   PRO  49           HA       PRO  49 101.276  -5.549 -12.148
  255    HB2  PRO  49           HB2      PRO  49 102.511  -7.565 -10.301
  256    HB3  PRO  49           HB1      PRO  49 101.001  -7.667 -11.231
  257    HG2  PRO  49           HG2      PRO  49 103.145  -8.992 -12.025
  258    HG3  PRO  49           HG1      PRO  49 102.107  -8.172 -13.209
  259    HD2  PRO  49           HD2      PRO  49 104.778  -7.315 -12.132
  260    HD3  PRO  49           HD1      PRO  49 104.135  -7.186 -13.785
  261    H    GLU  50           HN       GLU  50 104.195  -5.402 -10.163
  262    HA   GLU  50           HA       GLU  50 103.092  -4.626  -7.728
  263    HB2  GLU  50           HB2      GLU  50 105.274  -3.699  -7.206
  264    HB3  GLU  50           HB1      GLU  50 105.485  -5.205  -8.101
  265    HG2  GLU  50           HG2      GLU  50 105.670  -3.817 -10.209
  266    HG3  GLU  50           HG1      GLU  50 105.699  -2.385  -9.187
  267    H    SER  51           HN       SER  51 103.425  -2.847 -10.685
  268    HA   SER  51           HA       SER  51 102.971  -0.262  -9.410
  269    HB2  SER  51           HB2      SER  51 103.371  -1.124 -12.278
  270    HB3  SER  51           HB1      SER  51 103.009   0.534 -11.814
  271    HG   SER  51           HG       SER  51 104.906  -0.089 -10.232
  272    H    LEU  52           HN       LEU  52 101.058  -2.818 -10.213
  273    HA   LEU  52           HA       LEU  52  98.833  -1.303 -11.353
  274    HB2  LEU  52           HB2      LEU  52  99.579  -3.783 -11.858
  275    HB3  LEU  52           HB1      LEU  52  98.650  -4.157 -10.410
  276    HG   LEU  52           HG       LEU  52  97.630  -2.756 -12.892
  277   HD11  LEU  52          HD11      LEU  52  96.789  -5.379 -11.642
  278   HD12  LEU  52          HD12      LEU  52  97.929  -5.251 -12.982
  279   HD13  LEU  52          HD13      LEU  52  96.261  -4.721 -13.189
  280   HD21  LEU  52          HD21      LEU  52  95.399  -2.987 -11.664
  281   HD22  LEU  52          HD22      LEU  52  96.484  -1.727 -11.089
  282   HD23  LEU  52          HD23      LEU  52  96.351  -3.249 -10.204
  283    H    LEU  53           HN       LEU  53  97.682  -0.090  -9.976
  284    HA   LEU  53           HA       LEU  53  97.209  -1.100  -7.221
  285    HB2  LEU  53           HB2      LEU  53  97.004   1.743  -8.218
  286    HB3  LEU  53           HB1      LEU  53  96.904   1.186  -6.549
  287    HG   LEU  53           HG       LEU  53  99.346   0.900  -8.326
  288   HD11  LEU  53          HD11      LEU  53  98.810   3.248  -7.707
  289   HD12  LEU  53          HD12      LEU  53 100.299   2.687  -6.946
  290   HD13  LEU  53          HD13      LEU  53  98.808   2.781  -6.007
  291   HD21  LEU  53          HD21      LEU  53 100.366   0.484  -5.955
  292   HD22  LEU  53          HD22      LEU  53  99.482  -0.830  -6.728
  293   HD23  LEU  53          HD23      LEU  53  98.705   0.135  -5.473
  294    H    GLN  54           HN       GLN  54  95.209  -1.645  -6.671
  295    HA   GLN  54           HA       GLN  54  93.024  -1.226  -8.519
  296    HB2  GLN  54           HB2      GLN  54  93.239  -2.528  -5.807
  297    HB3  GLN  54           HB1      GLN  54  91.681  -2.280  -6.597
  298    HG2  GLN  54           HG2      GLN  54  92.438  -3.546  -8.549
  299    HG3  GLN  54           HG1      GLN  54  94.028  -3.746  -7.826
  300   HE21  GLN  54          HE21      GLN  54  92.321  -3.998  -5.132
  301   HE22  GLN  54          HE22      GLN  54  91.902  -5.642  -5.146
  302    H    LEU  55           HN       LEU  55  91.899   0.560  -8.629
  303    HA   LEU  55           HA       LEU  55  92.021   2.553  -6.500
  304    HB2  LEU  55           HB2      LEU  55  92.324   3.359  -8.736
  305    HB3  LEU  55           HB1      LEU  55  90.893   2.508  -9.303
  306    HG   LEU  55           HG       LEU  55  89.439   3.970  -8.061
  307   HD11  LEU  55          HD11      LEU  55  90.532   4.360  -6.014
  308   HD12  LEU  55          HD12      LEU  55  90.591   5.932  -6.811
  309   HD13  LEU  55          HD13      LEU  55  92.019   4.898  -6.800
  310   HD21  LEU  55          HD21      LEU  55  90.064   6.159  -9.082
  311   HD22  LEU  55          HD22      LEU  55  90.235   4.817 -10.214
  312   HD23  LEU  55          HD23      LEU  55  91.662   5.503  -9.440
  313    H    LYS  56           HN       LYS  56  90.563   2.540  -4.916
  314    HA   LYS  56           HA       LYS  56  87.841   1.497  -5.476
  315    HB2  LYS  56           HB2      LYS  56  89.704   1.094  -3.164
  316    HB3  LYS  56           HB1      LYS  56  87.974   1.152  -2.826
  317    HG2  LYS  56           HG2      LYS  56  87.553  -0.657  -4.369
  318    HG3  LYS  56           HG1      LYS  56  89.229  -0.660  -4.909
  319    HD2  LYS  56           HD2      LYS  56  89.963  -1.329  -2.665
  320    HD3  LYS  56           HD1      LYS  56  88.296  -1.258  -2.087
  321    HE2  LYS  56           HE2      LYS  56  89.193  -3.042  -4.365
  322    HE3  LYS  56           HE1      LYS  56  89.083  -3.584  -2.690
  323    HZ1  LYS  56           HZ1      LYS  56  87.052  -3.543  -4.524
  324    HZ2  LYS  56           HZ2      LYS  56  86.728  -2.212  -3.520
  325    HZ3  LYS  56           HZ3      LYS  56  86.891  -3.763  -2.849
  326    H    ALA  57           HN       ALA  57  86.136   2.626  -4.914
  327    HA   ALA  57           HA       ALA  57  86.565   5.379  -3.944
  328    HB1  ALA  57           HB1      ALA  57  85.280   4.927  -6.063
  329    HB2  ALA  57           HB2      ALA  57  84.393   5.855  -4.852
  330    HB3  ALA  57           HB3      ALA  57  84.051   4.139  -5.075
  331    H    LEU  58           HN       LEU  58  86.643   5.314  -1.720
  332    HA   LEU  58           HA       LEU  58  84.984   3.579  -0.146
  333    HB2  LEU  58           HB2      LEU  58  86.433   6.119   0.651
  334    HB3  LEU  58           HB1      LEU  58  85.767   4.926   1.760
  335    HG   LEU  58           HG       LEU  58  88.036   4.508  -0.211
  336   HD11  LEU  58          HD11      LEU  58  87.838   4.708   2.801
  337   HD12  LEU  58          HD12      LEU  58  88.833   5.669   1.709
  338   HD13  LEU  58          HD13      LEU  58  89.225   3.976   2.002
  339   HD21  LEU  58          HD21      LEU  58  86.983   2.405  -0.196
  340   HD22  LEU  58          HD22      LEU  58  86.450   2.574   1.479
  341   HD23  LEU  58          HD23      LEU  58  88.147   2.250   1.119
  342    H    LYS  59           HN       LYS  59  84.983   7.042  -0.821
  343    HA   LYS  59           HA       LYS  59  82.074   7.154  -0.564
  344    HB2  LYS  59           HB2      LYS  59  83.774   9.251   0.792
  345    HB3  LYS  59           HB1      LYS  59  82.062   8.919   1.005
  346    HG2  LYS  59           HG2      LYS  59  82.551   6.836   2.153
  347    HG3  LYS  59           HG1      LYS  59  84.274   7.027   1.841
  348    HD2  LYS  59           HD2      LYS  59  82.628   9.033   3.405
  349    HD3  LYS  59           HD1      LYS  59  83.556   7.738   4.156
  350    HE2  LYS  59           HE2      LYS  59  85.521   8.779   2.639
  351    HE3  LYS  59           HE1      LYS  59  84.525  10.224   2.802
  352    HZ1  LYS  59           HZ1      LYS  59  84.583   9.155   5.310
  353    HZ2  LYS  59           HZ2      LYS  59  85.502  10.477   4.762
  354    HZ3  LYS  59           HZ3      LYS  59  86.162   8.911   4.741
  355    HA   PRO  60           HA       PRO  60  82.513   9.800  -4.114
  356    HB2  PRO  60           HB2      PRO  60  80.835  11.887  -2.776
  357    HB3  PRO  60           HB1      PRO  60  80.605  11.098  -4.349
  358    HG2  PRO  60           HG2      PRO  60  79.090  10.485  -2.223
  359    HG3  PRO  60           HG1      PRO  60  79.550   9.271  -3.430
  360    HD2  PRO  60           HD2      PRO  60  80.598   9.658  -0.654
  361    HD3  PRO  60           HD1      PRO  60  80.414   8.166  -1.603
  362    H    GLY  61           HN       GLY  61  84.363  10.892  -4.502
  363    HA2  GLY  61           HA2      GLY  61  85.800  12.754  -4.427
  364    HA3  GLY  61           HA1      GLY  61  85.034  13.270  -2.930
  365    H    VAL  62           HN       VAL  62  85.475  10.164  -2.262
  366    HA   VAL  62           HA       VAL  62  88.296  10.460  -1.369
  367    HB   VAL  62           HB       VAL  62  86.016   9.158   0.141
  368   HG11  VAL  62          HG11      VAL  62  88.949   9.568   0.770
  369   HG12  VAL  62          HG12      VAL  62  88.105   8.030   0.590
  370   HG13  VAL  62          HG13      VAL  62  87.751   9.077   1.965
  371   HG21  VAL  62          HG21      VAL  62  87.502  11.771   0.539
  372   HG22  VAL  62          HG22      VAL  62  86.479  11.029   1.773
  373   HG23  VAL  62          HG23      VAL  62  85.772  11.562   0.248
  374    H    ILE  63           HN       ILE  63  89.603   8.806  -1.913
  375    HA   ILE  63           HA       ILE  63  88.397   6.212  -2.691
  376    HB   ILE  63           HB       ILE  63  89.830   6.111  -4.634
  377   HG12  ILE  63          HG12      ILE  63  90.893   8.647  -5.053
  378   HG13  ILE  63          HG11      ILE  63  91.096   8.468  -3.314
  379   HG21  ILE  63          HG21      ILE  63  87.580   7.335  -4.660
  380   HG22  ILE  63          HG22      ILE  63  88.676   7.693  -5.993
  381   HG23  ILE  63          HG23      ILE  63  88.511   8.831  -4.655
  382   HD11  ILE  63          HD11      ILE  63  92.320   6.881  -5.542
  383   HD12  ILE  63          HD12      ILE  63  92.062   6.090  -3.987
  384   HD13  ILE  63          HD13      ILE  63  93.071   7.531  -4.088
  385    H    GLN  64           HN       GLN  64  89.987   4.488  -2.870
  386    HA   GLN  64           HA       GLN  64  92.364   4.780  -1.129
  387    HB2  GLN  64           HB2      GLN  64  90.433   3.689   0.072
  388    HB3  GLN  64           HB1      GLN  64  90.502   2.391  -1.115
  389    HG2  GLN  64           HG2      GLN  64  92.852   1.956  -0.498
  390    HG3  GLN  64           HG1      GLN  64  92.774   3.250   0.697
  391   HE21  GLN  64          HE21      GLN  64  93.377   0.676   1.600
  392   HE22  GLN  64          HE22      GLN  64  92.059   0.043   2.459
  393    H    ILE  65           HN       ILE  65  94.131   3.548  -1.778
  394    HA   ILE  65           HA       ILE  65  93.851   2.095  -4.351
  395    HB   ILE  65           HB       ILE  65  96.408   2.866  -4.491
  396   HG12  ILE  65          HG12      ILE  65  95.093   4.987  -2.746
  397   HG13  ILE  65          HG11      ILE  65  96.436   3.951  -2.280
  398   HG21  ILE  65          HG21      ILE  65  94.563   3.436  -6.089
  399   HG22  ILE  65          HG22      ILE  65  95.693   4.767  -5.848
  400   HG23  ILE  65          HG23      ILE  65  94.123   4.788  -5.044
  401   HD11  ILE  65          HD11      ILE  65  97.596   5.842  -2.917
  402   HD12  ILE  65          HD12      ILE  65  96.381   6.313  -4.102
  403   HD13  ILE  65          HD13      ILE  65  97.524   5.025  -4.481
  404    H    LEU  66           HN       LEU  66  94.369   0.050  -4.311
  405    HA   LEU  66           HA       LEU  66  96.127  -0.989  -2.158
  406    HB2  LEU  66           HB2      LEU  66  93.779  -1.474  -1.699
  407    HB3  LEU  66           HB1      LEU  66  93.566  -2.139  -3.303
  408    HG   LEU  66           HG       LEU  66  93.862  -3.759  -1.291
  409   HD11  LEU  66          HD11      LEU  66  95.772  -4.371  -3.528
  410   HD12  LEU  66          HD12      LEU  66  94.041  -4.291  -3.829
  411   HD13  LEU  66          HD13      LEU  66  94.683  -5.447  -2.670
  412   HD21  LEU  66          HD21      LEU  66  96.791  -3.248  -1.806
  413   HD22  LEU  66          HD22      LEU  66  96.064  -4.269  -0.572
  414   HD23  LEU  66          HD23      LEU  66  95.916  -2.519  -0.460
  415    H    GLY  67           HN       GLY  67  97.905  -1.919  -2.951
  416    HA2  GLY  67           HA2      GLY  67  98.208  -2.544  -5.750
  417    HA3  GLY  67           HA1      GLY  67  99.409  -2.790  -4.493
  418    H    VAL  68           HN       VAL  68  97.753  -4.425  -6.724
  419    HA   VAL  68           HA       VAL  68  96.604  -6.586  -5.301
  420    HB   VAL  68           HB       VAL  68  96.439  -7.677  -7.428
  421   HG11  VAL  68          HG11      VAL  68  95.334  -5.902  -8.704
  422   HG12  VAL  68          HG12      VAL  68  96.186  -4.671  -7.766
  423   HG13  VAL  68          HG13      VAL  68  94.991  -5.709  -6.986
  424   HG21  VAL  68          HG21      VAL  68  98.630  -7.434  -8.344
  425   HG22  VAL  68          HG22      VAL  68  98.557  -5.676  -8.237
  426   HG23  VAL  68          HG23      VAL  68  97.569  -6.528  -9.424
  427    H    LYS  69           HN       LYS  69  99.819  -6.239  -6.806
  428    HA   LYS  69           HA       LYS  69 100.627  -8.898  -6.356
  429    HB2  LYS  69           HB2      LYS  69 101.744  -7.281  -7.897
  430    HB3  LYS  69           HB1      LYS  69 102.411  -6.463  -6.488
  431    HG2  LYS  69           HG2      LYS  69 102.869  -9.418  -6.602
  432    HG3  LYS  69           HG1      LYS  69 103.716  -8.467  -7.814
  433    HD2  LYS  69           HD2      LYS  69 104.655  -7.036  -6.010
  434    HD3  LYS  69           HD1      LYS  69 103.848  -8.047  -4.814
  435    HE2  LYS  69           HE2      LYS  69 105.107  -9.996  -5.526
  436    HE3  LYS  69           HE1      LYS  69 105.843  -9.081  -6.844
  437    HZ1  LYS  69           HZ1      LYS  69 107.457  -8.673  -5.377
  438    HZ2  LYS  69           HZ2      LYS  69 106.507  -9.132  -4.044
  439    HZ3  LYS  69           HZ3      LYS  69 106.383  -7.561  -4.679
  440    H    THR  70           HN       THR  70 101.062  -5.991  -4.363
  441    HA   THR  70           HA       THR  70 102.324  -7.607  -2.254
  442    HB   THR  70           HB       THR  70 102.882  -5.504  -1.218
  443    HG1  THR  70           HG1      THR  70 101.104  -4.477  -3.158
  444   HG21  THR  70          HG21      THR  70 103.258  -5.122  -4.194
  445   HG22  THR  70          HG22      THR  70 104.154  -6.327  -3.269
  446   HG23  THR  70          HG23      THR  70 104.333  -4.616  -2.890
  447    H    SER  71           HN       SER  71  99.229  -6.325  -3.048
  448    HA   SER  71           HA       SER  71  97.250  -6.206  -1.864
  449    HB2  SER  71           HB2      SER  71  97.364  -8.534  -1.495
  450    HB3  SER  71           HB1      SER  71  98.722  -8.382  -0.388
  451    HG   SER  71           HG       SER  71  96.546  -6.934   0.388
  452    H    ARG  72           HN       ARG  72  99.514  -4.429  -1.219
  453    HA   ARG  72           HA       ARG  72  99.078  -3.875   1.644
  454    HB2  ARG  72           HB2      ARG  72 101.178  -2.974  -0.332
  455    HB3  ARG  72           HB1      ARG  72 100.997  -2.252   1.264
  456    HG2  ARG  72           HG2      ARG  72 101.290  -4.469   2.296
  457    HG3  ARG  72           HG1      ARG  72 101.478  -5.186   0.704
  458    HD2  ARG  72           HD2      ARG  72 103.467  -3.791   0.305
  459    HD3  ARG  72           HD1      ARG  72 103.277  -3.068   1.898
  460    HE   ARG  72           HE       ARG  72 104.213  -5.781   1.315
  461   HH11  ARG  72          HH11      ARG  72 105.110  -6.870   3.091
  462   HH12  ARG  72          HH12      ARG  72 104.954  -6.202   4.682
  463   HH21  ARG  72          HH21      ARG  72 103.166  -3.424   3.635
  464   HH22  ARG  72          HH22      ARG  72 103.841  -4.263   4.990
  465    H    PHE  73           HN       PHE  73  98.229  -1.949   2.341
  466    HA   PHE  73           HA       PHE  73  96.783  -0.384   0.311
  467    HB2  PHE  73           HB2      PHE  73  96.691  -0.281   3.342
  468    HB3  PHE  73           HB1      PHE  73  95.647   0.627   2.249
  469    HD1  PHE  73           HD1      PHE  73  96.214  -2.563   3.881
  470    HD2  PHE  73           HD2      PHE  73  94.150  -0.638   0.638
  471    HE1  PHE  73           HE1      PHE  73  94.669  -4.494   3.714
  472    HE2  PHE  73           HE2      PHE  73  92.610  -2.571   0.471
  473    HZ   PHE  73           HZ       PHE  73  92.864  -4.499   2.011
  474    H    LEU  74           HN       LEU  74  97.948   1.159  -0.611
  475    HA   LEU  74           HA       LEU  74 100.237   2.365   0.542
  476    HB2  LEU  74           HB2      LEU  74 100.129   2.339  -1.820
  477    HB3  LEU  74           HB1      LEU  74  98.507   3.008  -1.838
  478    HG   LEU  74           HG       LEU  74  99.310   5.181  -1.154
  479   HD11  LEU  74          HD11      LEU  74 101.010   4.781   0.436
  480   HD12  LEU  74          HD12      LEU  74 101.898   5.422  -0.939
  481   HD13  LEU  74          HD13      LEU  74 101.882   3.686  -0.637
  482   HD21  LEU  74          HD21      LEU  74 100.716   5.747  -3.048
  483   HD22  LEU  74          HD22      LEU  74  99.580   4.500  -3.559
  484   HD23  LEU  74          HD23      LEU  74 101.252   4.074  -3.204
  485    H    CYS  75           HN       CYS  75 100.113   3.555   2.339
  486    HA   CYS  75           HA       CYS  75  98.061   5.692   2.466
  487    HB2  CYS  75           HB2      CYS  75  99.366   4.433   4.876
  488    HB3  CYS  75           HB1      CYS  75  97.975   5.510   4.833
  489    H    GLN  76           HN       GLN  76  98.763   7.646   3.580
  490    HA   GLN  76           HA       GLN  76 101.617   8.179   3.040
  491    HB2  GLN  76           HB2      GLN  76 100.073   9.543   1.770
  492    HB3  GLN  76           HB1      GLN  76  99.247  10.048   3.244
  493    HG2  GLN  76           HG2      GLN  76 101.162  11.251   4.015
  494    HG3  GLN  76           HG1      GLN  76 102.199  10.524   2.795
  495   HE21  GLN  76          HE21      GLN  76 102.476  11.705   0.906
  496   HE22  GLN  76          HE22      GLN  76 101.488  12.996   0.418
  497    H    ARG  77           HN       ARG  77 102.950   8.861   4.465
  498    HA   ARG  77           HA       ARG  77 102.436   8.629   7.264
  499    HB2  ARG  77           HB2      ARG  77 104.545   7.996   6.025
  500    HB3  ARG  77           HB1      ARG  77 104.860   9.714   5.812
  501    HG2  ARG  77           HG2      ARG  77 105.015  10.043   8.200
  502    HG3  ARG  77           HG1      ARG  77 104.491   8.382   8.502
  503    HD2  ARG  77           HD2      ARG  77 106.492   7.471   7.603
  504    HD3  ARG  77           HD1      ARG  77 106.954   9.005   6.870
  505    HE   ARG  77           HE       ARG  77 106.764   9.409   9.640
  506   HH11  ARG  77          HH11      ARG  77 108.648   9.401  10.902
  507   HH12  ARG  77          HH12      ARG  77 110.071   8.601  10.323
  508   HH21  ARG  77          HH21      ARG  77 108.625   7.634   7.323
  509   HH22  ARG  77          HH22      ARG  77 110.058   7.601   8.295
  510    HA   PRO  78           HA       PRO  78 101.204  12.882   8.047
  511    HB2  PRO  78           HB2      PRO  78 103.133  12.753  10.345
  512    HB3  PRO  78           HB1      PRO  78 101.452  13.326  10.317
  513    HG2  PRO  78           HG2      PRO  78 102.049  10.952  11.325
  514    HG3  PRO  78           HG1      PRO  78 100.583  11.182  10.354
  515    HD2  PRO  78           HD2      PRO  78 103.147   9.841   9.597
  516    HD3  PRO  78           HD1      PRO  78 101.485   9.472   9.088
  517    H    ASP  79           HN       ASP  79 104.591  11.938   8.058
  518    HA   ASP  79           HA       ASP  79 105.645  14.588   7.706
  519    HB2  ASP  79           HB2      ASP  79 107.022  12.791   8.670
  520    HB3  ASP  79           HB1      ASP  79 106.913  11.894   7.156
  521    H    GLY  80           HN       GLY  80 103.826  12.689   5.739
  522    HA2  GLY  80           HA2      GLY  80 103.154  13.207   3.555
  523    HA3  GLY  80           HA1      GLY  80 104.605  14.180   3.354
  524    H    ALA  81           HN       ALA  81 105.265  11.110   4.694
  525    HA   ALA  81           HA       ALA  81 106.544  10.269   2.208
  526    HB1  ALA  81           HB1      ALA  81 106.570   8.508   4.623
  527    HB2  ALA  81           HB2      ALA  81 107.378  10.069   4.753
  528    HB3  ALA  81           HB3      ALA  81 107.880   8.921   3.512
  529    H    LEU  82           HN       LEU  82 106.257   8.056   1.393
  530    HA   LEU  82           HA       LEU  82 103.446   7.125   1.681
  531    HB2  LEU  82           HB2      LEU  82 105.261   7.430  -0.682
  532    HB3  LEU  82           HB1      LEU  82 104.110   6.098  -0.705
  533    HG   LEU  82           HG       LEU  82 102.256   7.649  -0.348
  534   HD11  LEU  82          HD11      LEU  82 102.903  10.174  -0.576
  535   HD12  LEU  82          HD12      LEU  82 104.489   9.639  -0.014
  536   HD13  LEU  82          HD13      LEU  82 103.059   9.376   0.986
  537   HD21  LEU  82          HD21      LEU  82 103.354   7.230  -2.675
  538   HD22  LEU  82          HD22      LEU  82 103.938   8.888  -2.526
  539   HD23  LEU  82          HD23      LEU  82 102.207   8.561  -2.519
  540    H    TYR  83           HN       TYR  83 103.049   5.044   2.180
  541    HA   TYR  83           HA       TYR  83 105.104   3.006   1.845
  542    HB2  TYR  83           HB2      TYR  83 105.135   2.349   4.196
  543    HB3  TYR  83           HB1      TYR  83 105.674   4.021   4.027
  544    HD1  TYR  83           HD1      TYR  83 103.107   1.805   5.370
  545    HD2  TYR  83           HD2      TYR  83 104.111   5.898   4.539
  546    HE1  TYR  83           HE1      TYR  83 101.294   2.560   6.889
  547    HE2  TYR  83           HE2      TYR  83 102.297   6.648   6.048
  548    HH   TYR  83           HH       TYR  83  99.834   4.881   7.004
  549    H    GLY  84           HN       GLY  84 104.327   0.889   2.039
  550    HA2  GLY  84           HA2      GLY  84 101.435   0.613   1.654
  551    HA3  GLY  84           HA1      GLY  84 102.663  -0.611   1.341
  552    H    SER  85           HN       SER  85 100.102  -0.545   3.073
  553    HA   SER  85           HA       SER  85 101.362  -1.779   5.455
  554    HB2  SER  85           HB2      SER  85 100.686   0.441   6.146
  555    HB3  SER  85           HB1      SER  85  99.080   0.207   5.474
  556    HG   SER  85           HG       SER  85  98.583  -1.113   7.083
  557    H    LEU  86           HN       LEU  86 100.305  -3.533   6.291
  558    HA   LEU  86           HA       LEU  86  98.553  -4.971   4.582
  559    HB2  LEU  86           HB2      LEU  86  99.556  -5.365   7.390
  560    HB3  LEU  86           HB1      LEU  86  98.289  -6.415   6.761
  561    HG   LEU  86           HG       LEU  86 100.602  -7.329   6.454
  562   HD11  LEU  86          HD11      LEU  86  99.613  -6.785   3.672
  563   HD12  LEU  86          HD12      LEU  86  98.529  -7.619   4.786
  564   HD13  LEU  86          HD13      LEU  86 100.109  -8.302   4.419
  565   HD21  LEU  86          HD21      LEU  86 101.630  -5.063   6.080
  566   HD22  LEU  86          HD22      LEU  86 100.920  -5.069   4.469
  567   HD23  LEU  86          HD23      LEU  86 102.124  -6.279   4.902
  568    H    HIS  87           HN       HIS  87  98.053  -3.048   7.496
  569    HA   HIS  87           HA       HIS  87  95.164  -3.560   7.437
  570    HB2  HIS  87           HB2      HIS  87  96.534  -3.572   9.578
  571    HB3  HIS  87           HB1      HIS  87  96.690  -1.826   9.381
  572    HD2  HIS  87           HD2      HIS  87  93.736  -4.444   9.850
  573    HE1  HIS  87           HE1      HIS  87  92.368  -0.619  10.999
  574    HE2  HIS  87           HE2      HIS  87  91.762  -3.082  10.882
  575    H    PHE  88           HN       PHE  88  93.707  -2.193   6.725
  576    HA   PHE  88           HA       PHE  88  94.463   0.146   5.270
  577    HB2  PHE  88           HB2      PHE  88  92.630  -1.056   4.401
  578    HB3  PHE  88           HB1      PHE  88  91.865  -1.197   5.977
  579    HD1  PHE  88           HD1      PHE  88  93.275   1.851   4.271
  580    HD2  PHE  88           HD2      PHE  88  89.777  -0.166   5.744
  581    HE1  PHE  88           HE1      PHE  88  91.910   3.867   3.806
  582    HE2  PHE  88           HE2      PHE  88  88.418   1.846   5.275
  583    HZ   PHE  88           HZ       PHE  88  89.481   3.862   4.309
  584    H    ASP  89           HN       ASP  89  94.517   2.214   5.915
  585    HA   ASP  89           HA       ASP  89  93.399   2.940   8.571
  586    HB2  ASP  89           HB2      ASP  89  95.830   2.784   8.680
  587    HB3  ASP  89           HB1      ASP  89  95.980   3.864   7.296
  588    HA   PRO  90           HA       PRO  90  91.219   5.548   5.438
  589    HB2  PRO  90           HB2      PRO  90  89.844   6.406   7.958
  590    HB3  PRO  90           HB1      PRO  90  89.142   5.929   6.399
  591    HG2  PRO  90           HG2      PRO  90  89.102   4.306   8.523
  592    HG3  PRO  90           HG1      PRO  90  89.284   3.684   6.879
  593    HD2  PRO  90           HD2      PRO  90  91.334   3.934   9.034
  594    HD3  PRO  90           HD1      PRO  90  91.225   2.744   7.718
  595    H    GLU  91           HN       GLU  91  92.256   6.601   8.650
  596    HA   GLU  91           HA       GLU  91  92.313   9.361   8.183
  597    HB2  GLU  91           HB2      GLU  91  93.840   7.599  10.090
  598    HB3  GLU  91           HB1      GLU  91  94.023   9.354  10.086
  599    HG2  GLU  91           HG2      GLU  91  91.625   9.637  10.470
  600    HG3  GLU  91           HG1      GLU  91  91.386   7.890  10.394
  601    H    ALA  92           HN       ALA  92  94.461   6.954   6.941
  602    HA   ALA  92           HA       ALA  92  96.341   9.099   6.090
  603    HB1  ALA  92           HB1      ALA  92  97.013   6.254   6.864
  604    HB2  ALA  92           HB2      ALA  92  97.379   7.701   7.803
  605    HB3  ALA  92           HB3      ALA  92  98.155   7.444   6.240
  606    H    CYS  93           HN       CYS  93  94.620   6.164   5.205
  607    HA   CYS  93           HA       CYS  93  95.840   6.180   2.544
  608    HB2  CYS  93           HB2      CYS  93  94.548   4.174   4.206
  609    HB3  CYS  93           HB1      CYS  93  93.883   4.170   2.575
  610    H    SER  94           HN       SER  94  93.109   7.574   4.000
  611    HA   SER  94           HA       SER  94  91.461   7.502   1.611
  612    HB2  SER  94           HB2      SER  94  91.170   9.365   3.977
  613    HB3  SER  94           HB1      SER  94  89.931   8.891   2.818
  614    HG   SER  94           HG       SER  94  91.295   6.967   4.355
  615    H    PHE  95           HN       PHE  95  91.566   8.906  -0.048
  616    HA   PHE  95           HA       PHE  95  93.148  11.395   0.293
  617    HB2  PHE  95           HB2      PHE  95  93.222   9.560  -2.109
  618    HB3  PHE  95           HB1      PHE  95  94.117  11.057  -1.893
  619    HD1  PHE  95           HD1      PHE  95  93.921   7.510  -1.051
  620    HD2  PHE  95           HD2      PHE  95  95.977  11.192  -0.238
  621    HE1  PHE  95           HE1      PHE  95  95.780   6.240  -0.026
  622    HE2  PHE  95           HE2      PHE  95  97.840   9.920   0.799
  623    HZ   PHE  95           HZ       PHE  95  97.747   7.439   0.900
  624    H    ARG  96           HN       ARG  96  92.523  13.134  -0.950
  625    HA   ARG  96           HA       ARG  96  89.780  13.102  -1.921
  626    HB2  ARG  96           HB2      ARG  96  90.629  14.975  -0.527
  627    HB3  ARG  96           HB1      ARG  96  91.786  15.370  -1.796
  628    HG2  ARG  96           HG2      ARG  96  89.940  15.770  -3.374
  629    HG3  ARG  96           HG1      ARG  96  88.771  15.339  -2.126
  630    HD2  ARG  96           HD2      ARG  96  89.735  17.187  -0.704
  631    HD3  ARG  96           HD1      ARG  96  90.688  17.682  -2.100
  632    HE   ARG  96           HE       ARG  96  88.023  17.540  -2.934
  633   HH11  ARG  96          HH11      ARG  96  86.750  19.425  -2.999
  634   HH12  ARG  96          HH12      ARG  96  87.196  20.796  -2.038
  635   HH21  ARG  96          HH21      ARG  96  89.989  19.265  -0.669
  636   HH22  ARG  96          HH22      ARG  96  89.034  20.709  -0.728
  637    H    GLU  97           HN       GLU  97  89.192  13.315  -4.066
  638    HA   GLU  97           HA       GLU  97  91.281  12.720  -6.030
  639    HB2  GLU  97           HB2      GLU  97  89.191  11.415  -6.008
  640    HB3  GLU  97           HB1      GLU  97  88.268  12.884  -6.317
  641    HG2  GLU  97           HG2      GLU  97  89.436  13.192  -8.452
  642    HG3  GLU  97           HG1      GLU  97  90.414  11.762  -8.137
  643    H    LEU  98           HN       LEU  98  92.206  14.213  -7.262
  644    HA   LEU  98           HA       LEU  98  90.839  16.828  -7.655
  645    HB2  LEU  98           HB2      LEU  98  93.813  16.287  -7.745
  646    HB3  LEU  98           HB1      LEU  98  93.004  17.854  -7.712
  647    HG   LEU  98           HG       LEU  98  92.956  15.787  -5.495
  648   HD11  LEU  98          HD11      LEU  98  94.344  18.469  -5.744
  649   HD12  LEU  98          HD12      LEU  98  95.118  16.886  -5.662
  650   HD13  LEU  98          HD13      LEU  98  94.256  17.518  -4.260
  651   HD21  LEU  98          HD21      LEU  98  91.943  17.833  -4.252
  652   HD22  LEU  98          HD22      LEU  98  90.895  16.931  -5.342
  653   HD23  LEU  98          HD23      LEU  98  91.600  18.461  -5.865
  654    H    LEU  99           HN       LEU  99  90.055  16.958  -9.677
  655    HA   LEU  99           HA       LEU  99  91.544  15.637 -11.876
  656    HB2  LEU  99           HB2      LEU  99  88.723  15.866 -11.221
  657    HB3  LEU  99           HB1      LEU  99  89.009  16.531 -12.821
  658    HG   LEU  99           HG       LEU  99  88.454  14.090 -12.827
  659   HD11  LEU  99          HD11      LEU  99  90.008  15.320 -14.531
  660   HD12  LEU  99          HD12      LEU  99  89.933  13.560 -14.553
  661   HD13  LEU  99          HD13      LEU  99  91.293  14.370 -13.783
  662   HD21  LEU  99          HD21      LEU  99  89.666  12.492 -11.720
  663   HD22  LEU  99          HD22      LEU  99  90.004  13.831 -10.629
  664   HD23  LEU  99          HD23      LEU  99  91.187  13.370 -11.854
  665    H    LEU 100           HN       LEU 100  92.602  16.775 -13.270
  666    HA   LEU 100           HA       LEU 100  92.450  19.698 -13.231
  667    HB2  LEU 100           HB2      LEU 100  94.331  17.697 -14.488
  668    HB3  LEU 100           HB1      LEU 100  94.425  19.413 -14.848
  669    HG   LEU 100           HG       LEU 100  95.954  18.429 -12.974
  670   HD11  LEU 100          HD11      LEU 100  94.318  20.940 -12.730
  671   HD12  LEU 100          HD12      LEU 100  95.968  20.744 -13.312
  672   HD13  LEU 100          HD13      LEU 100  95.611  20.548 -11.598
  673   HD21  LEU 100          HD21      LEU 100  95.001  18.338 -10.753
  674   HD22  LEU 100          HD22      LEU 100  94.088  17.249 -11.790
  675   HD23  LEU 100          HD23      LEU 100  93.419  18.820 -11.354
  676    H    GLU 101           HN       GLU 101  91.955  20.939 -15.023
  677    HA   GLU 101           HA       GLU 101  89.965  20.051 -16.767
  678    HB2  GLU 101           HB2      GLU 101  90.699  22.103 -18.156
  679    HB3  GLU 101           HB1      GLU 101  90.143  22.392 -16.510
  680    HG2  GLU 101           HG2      GLU 101  93.078  21.882 -16.917
  681    HG3  GLU 101           HG1      GLU 101  92.441  23.444 -17.420
  682    H    ASP 102           HN       ASP 102  93.414  19.763 -16.907
  683    HA   ASP 102           HA       ASP 102  93.556  19.194 -19.733
  684    HB2  ASP 102           HB2      ASP 102  95.537  18.848 -17.481
  685    HB3  ASP 102           HB1      ASP 102  95.902  18.536 -19.175
  686    H    GLY 103           HN       GLY 103  92.524  17.462 -17.050
  687    HA2  GLY 103           HA2      GLY 103  91.559  15.308 -17.195
  688    HA3  GLY 103           HA1      GLY 103  92.594  14.946 -18.568
  689    H    TYR 104           HN       TYR 104  94.385  16.418 -16.095
  690    HA   TYR 104           HA       TYR 104  95.657  13.872 -15.441
  691    HB2  TYR 104           HB2      TYR 104  96.336  16.575 -14.268
  692    HB3  TYR 104           HB1      TYR 104  97.360  15.150 -14.358
  693    HD1  TYR 104           HD1      TYR 104  97.365  18.232 -15.558
  694    HD2  TYR 104           HD2      TYR 104  97.042  14.257 -17.162
  695    HE1  TYR 104           HE1      TYR 104  98.261  19.028 -17.727
  696    HE2  TYR 104           HE2      TYR 104  97.930  15.056 -19.325
  697    HH   TYR 104           HH       TYR 104  98.664  18.500 -19.852
  698    H    ASN 105           HN       ASN 105  95.925  13.123 -13.264
  699    HA   ASN 105           HA       ASN 105  93.871  14.120 -11.378
  700    HB2  ASN 105           HB2      ASN 105  93.058  12.078 -12.478
  701    HB3  ASN 105           HB1      ASN 105  94.502  11.221 -11.938
  702   HD21  ASN 105          HD21      ASN 105  91.349  11.452 -11.179
  703   HD22  ASN 105          HD22      ASN 105  91.422  11.281  -9.494
  704    H    VAL 106           HN       VAL 106  94.475  14.333  -9.328
  705    HA   VAL 106           HA       VAL 106  97.061  13.178  -8.464
  706    HB   VAL 106           HB       VAL 106  96.192  15.924  -7.572
  707   HG11  VAL 106          HG11      VAL 106  98.907  14.612  -7.922
  708   HG12  VAL 106          HG12      VAL 106  98.027  14.721  -6.397
  709   HG13  VAL 106          HG13      VAL 106  98.595  16.189  -7.193
  710   HG21  VAL 106          HG21      VAL 106  96.196  16.127  -9.978
  711   HG22  VAL 106          HG22      VAL 106  97.692  15.201 -10.106
  712   HG23  VAL 106          HG23      VAL 106  97.710  16.812  -9.387
  713    H    TYR 107           HN       TYR 107  97.247  13.032  -6.112
  714    HA   TYR 107           HA       TYR 107  94.605  12.745  -4.774
  715    HB2  TYR 107           HB2      TYR 107  97.062  11.007  -4.494
  716    HB3  TYR 107           HB1      TYR 107  95.550  10.790  -3.630
  717    HD1  TYR 107           HD1      TYR 107  97.380   9.934  -6.558
  718    HD2  TYR 107           HD2      TYR 107  93.391  10.568  -5.098
  719    HE1  TYR 107           HE1      TYR 107  96.480   8.609  -8.449
  720    HE2  TYR 107           HE2      TYR 107  92.487   9.249  -6.996
  721    HH   TYR 107           HH       TYR 107  94.214   7.198  -8.791
  722    H    GLN 108           HN       GLN 108  94.441  13.332  -2.656
  723    HA   GLN 108           HA       GLN 108  96.810  14.331  -1.224
  724    HB2  GLN 108           HB2      GLN 108  95.926  16.307  -2.337
  725    HB3  GLN 108           HB1      GLN 108  94.303  15.951  -1.749
  726    HG2  GLN 108           HG2      GLN 108  94.998  16.302   0.552
  727    HG3  GLN 108           HG1      GLN 108  96.678  16.469   0.056
  728   HE21  GLN 108          HE21      GLN 108  94.168  18.334   1.058
  729   HE22  GLN 108          HE22      GLN 108  94.514  19.762   0.211
  730    H    SER 109           HN       SER 109  96.778  13.678   0.855
  731    HA   SER 109           HA       SER 109  94.747  12.021   1.895
  732    HB2  SER 109           HB2      SER 109  96.672  13.601   3.597
  733    HB3  SER 109           HB1      SER 109  95.999  12.002   3.903
  734    HG   SER 109           HG       SER 109  98.090  11.784   3.123
  735    H    GLU 110           HN       GLU 110  92.794  12.537   2.611
  736    HA   GLU 110           HA       GLU 110  91.915  15.228   2.888
  737    HB2  GLU 110           HB2      GLU 110  89.767  14.275   3.346
  738    HB3  GLU 110           HB1      GLU 110  90.533  13.283   2.109
  739    HG2  GLU 110           HG2      GLU 110  91.273  11.700   3.894
  740    HG3  GLU 110           HG1      GLU 110  90.375  12.654   5.074
  741    H    ALA 111           HN       ALA 111  92.797  12.729   5.229
  742    HA   ALA 111           HA       ALA 111  91.706  13.851   7.527
  743    HB1  ALA 111           HB1      ALA 111  94.361  12.439   7.530
  744    HB2  ALA 111           HB2      ALA 111  92.856  11.581   7.201
  745    HB3  ALA 111           HB3      ALA 111  93.087  12.393   8.750
  746    H    HIS 112           HN       HIS 112  95.069  14.291   6.357
  747    HA   HIS 112           HA       HIS 112  95.277  16.655   8.136
  748    HB2  HIS 112           HB2      HIS 112  97.329  14.764   7.011
  749    HB3  HIS 112           HB1      HIS 112  97.771  16.309   7.726
  750    HD2  HIS 112           HD2      HIS 112  97.581  16.407  10.545
  751    HE1  HIS 112           HE1      HIS 112  96.219  12.445  11.068
  752    HE2  HIS 112           HE2      HIS 112  97.046  14.523  12.272
  753    H    GLY 113           HN       GLY 113  94.725  15.932   4.925
  754    HA2  GLY 113           HA2      GLY 113  94.668  17.350   3.082
  755    HA3  GLY 113           HA1      GLY 113  95.219  18.643   4.136
  756    H    LEU 114           HN       LEU 114  97.130  15.782   4.161
  757    HA   LEU 114           HA       LEU 114  99.409  17.190   3.193
  758    HB2  LEU 114           HB2      LEU 114  99.008  14.249   3.740
  759    HB3  LEU 114           HB1      LEU 114 100.567  15.001   3.420
  760    HG   LEU 114           HG       LEU 114  98.833  16.102   5.633
  761   HD11  LEU 114          HD11      LEU 114  99.791  14.550   7.224
  762   HD12  LEU 114          HD12      LEU 114 100.762  13.791   5.963
  763   HD13  LEU 114          HD13      LEU 114  99.011  13.605   5.956
  764   HD21  LEU 114          HD21      LEU 114 101.022  16.687   6.584
  765   HD22  LEU 114          HD22      LEU 114 100.927  17.271   4.925
  766   HD23  LEU 114          HD23      LEU 114 101.839  15.807   5.292
  767    HA   PRO 115           HA       PRO 115  98.677  16.159  -1.117
  768    HB2  PRO 115           HB2      PRO 115 100.982  17.061  -2.210
  769    HB3  PRO 115           HB1      PRO 115  99.765  18.177  -1.555
  770    HG2  PRO 115           HG2      PRO 115 102.274  17.168  -0.271
  771    HG3  PRO 115           HG1      PRO 115 101.648  18.827  -0.354
  772    HD2  PRO 115           HD2      PRO 115 101.299  17.250   1.847
  773    HD3  PRO 115           HD1      PRO 115 100.106  18.477   1.358
  774    H    LEU 116           HN       LEU 116  99.190  14.460  -2.533
  775    HA   LEU 116           HA       LEU 116 101.050  12.444  -1.457
  776    HB2  LEU 116           HB2      LEU 116  98.673  11.852  -2.082
  777    HB3  LEU 116           HB1      LEU 116  99.106  12.149  -3.762
  778    HG   LEU 116           HG       LEU 116 100.660  10.235  -1.995
  779   HD11  LEU 116          HD11      LEU 116  98.171   9.630  -2.291
  780   HD12  LEU 116          HD12      LEU 116  99.363   8.408  -2.723
  781   HD13  LEU 116          HD13      LEU 116  98.576   9.350  -3.985
  782   HD21  LEU 116          HD21      LEU 116 100.974   9.297  -4.519
  783   HD22  LEU 116          HD22      LEU 116 102.034  10.509  -3.818
  784   HD23  LEU 116          HD23      LEU 116 100.726  11.002  -4.889
  785    H    HIS 117           HN       HIS 117 103.014  12.285  -2.249
  786    HA   HIS 117           HA       HIS 117 103.518  12.722  -5.101
  787    HB2  HIS 117           HB2      HIS 117 105.462  14.194  -4.571
  788    HB3  HIS 117           HB1      HIS 117 103.908  14.935  -4.187
  789    HD2  HIS 117           HD2      HIS 117 103.378  15.186  -1.373
  790    HE1  HIS 117           HE1      HIS 117 107.249  14.026  -0.149
  791    HE2  HIS 117           HE2      HIS 117 105.044  15.013   0.633
  792    H    LEU 118           HN       LEU 118 105.354  11.682  -5.846
  793    HA   LEU 118           HA       LEU 118 106.163   9.385  -4.395
  794    HB2  LEU 118           HB2      LEU 118 105.997   9.677  -6.917
  795    HB3  LEU 118           HB1      LEU 118 107.527  10.540  -6.817
  796    HG   LEU 118           HG       LEU 118 108.572   8.546  -5.777
  797   HD11  LEU 118          HD11      LEU 118 105.750   7.551  -5.901
  798   HD12  LEU 118          HD12      LEU 118 107.005   7.234  -4.704
  799   HD13  LEU 118          HD13      LEU 118 107.030   6.380  -6.243
  800   HD21  LEU 118          HD21      LEU 118 108.839   8.728  -8.137
  801   HD22  LEU 118          HD22      LEU 118 107.162   8.263  -8.441
  802   HD23  LEU 118          HD23      LEU 118 108.318   7.066  -7.861
  803    HA   PRO 119           HA       PRO 119 109.300  11.774  -2.078
  804    HB2  PRO 119           HB2      PRO 119 110.250   9.098  -1.175
  805    HB3  PRO 119           HB1      PRO 119 109.761  10.503  -0.210
  806    HG2  PRO 119           HG2      PRO 119 108.230   8.305  -0.427
  807    HG3  PRO 119           HG1      PRO 119 107.540   9.929  -0.255
  808    HD2  PRO 119           HD2      PRO 119 107.721   8.206  -2.700
  809    HD3  PRO 119           HD1      PRO 119 106.466   9.369  -2.215
  810    H    GLY 120           HN       GLY 120 111.486  12.204  -2.354
  811    HA2  GLY 120           HA2      GLY 120 113.068  10.450  -4.128
  812    HA3  GLY 120           HA1      GLY 120 112.862  12.148  -4.552
  813    H    ASN 121           HN       ASN 121 114.189   9.940  -2.136
  814    HA   ASN 121           HA       ASN 121 115.586  12.097  -0.752
  815    HB2  ASN 121           HB2      ASN 121 115.761   9.099  -0.360
  816    HB3  ASN 121           HB1      ASN 121 116.411  10.331   0.717
  817   HD21  ASN 121          HD21      ASN 121 113.471  11.441  -0.573
  818   HD22  ASN 121          HD22      ASN 121 112.454  10.980   0.708
  819    H    LYS 122           HN       LYS 122 117.037  12.924  -2.239
  820    HA   LYS 122           HA       LYS 122 119.271  11.125  -3.015
  821    HB2  LYS 122           HB2      LYS 122 118.252  13.480  -4.623
  822    HB3  LYS 122           HB1      LYS 122 119.487  12.327  -5.102
  823    HG2  LYS 122           HG2      LYS 122 116.630  11.509  -4.511
  824    HG3  LYS 122           HG1      LYS 122 117.171  11.967  -6.120
  825    HD2  LYS 122           HD2      LYS 122 118.324   9.688  -4.473
  826    HD3  LYS 122           HD1      LYS 122 117.199   9.514  -5.808
  827    HE2  LYS 122           HE2      LYS 122 119.165   9.193  -6.973
  828    HE3  LYS 122           HE1      LYS 122 119.093  10.952  -7.079
  829    HZ1  LYS 122           HZ1      LYS 122 120.333  10.775  -4.799
  830    HZ2  LYS 122           HZ2      LYS 122 121.187  10.643  -6.262
  831    HZ3  LYS 122           HZ3      LYS 122 120.777   9.248  -5.386
  832    H    SER 123           HN       SER 123 121.302  11.894  -2.610
  833    HA   SER 123           HA       SER 123 121.482  14.248  -0.920
  834    HB2  SER 123           HB2      SER 123 123.308  13.199  -0.076
  835    HB3  SER 123           HB1      SER 123 122.900  11.845  -1.120
  836    HG   SER 123           HG       SER 123 124.971  12.448  -1.598
  837    HA   PRO 124           HA       PRO 124 124.244  15.629  -4.690
  838    HB2  PRO 124           HB2      PRO 124 122.905  14.202  -6.933
  839    HB3  PRO 124           HB1      PRO 124 124.637  14.399  -6.602
  840    HG2  PRO 124           HG2      PRO 124 123.384  12.048  -6.264
  841    HG3  PRO 124           HG1      PRO 124 124.713  12.564  -5.209
  842    HD2  PRO 124           HD2      PRO 124 121.760  12.583  -4.663
  843    HD3  PRO 124           HD1      PRO 124 123.102  12.188  -3.574
  844    H    HIS 125           HN       HIS 125 123.737  17.516  -5.820
  845    HA   HIS 125           HA       HIS 125 121.146  18.607  -5.479
  846    HB2  HIS 125           HB2      HIS 125 123.346  19.549  -7.335
  847    HB3  HIS 125           HB1      HIS 125 121.980  20.505  -6.761
  848    HD2  HIS 125           HD2      HIS 125 125.468  20.590  -5.884
  849    HE1  HIS 125           HE1      HIS 125 123.643  20.549  -2.077
  850    HE2  HIS 125           HE2      HIS 125 125.792  21.054  -3.334
  851    H    ARG 126           HN       ARG 126 119.495  19.004  -6.956
  852    HA   ARG 126           HA       ARG 126 119.670  17.551  -9.548
  853    HB2  ARG 126           HB2      ARG 126 117.288  17.805  -7.694
  854    HB3  ARG 126           HB1      ARG 126 117.275  17.027  -9.276
  855    HG2  ARG 126           HG2      ARG 126 118.923  15.382  -8.509
  856    HG3  ARG 126           HG1      ARG 126 119.020  16.186  -6.941
  857    HD2  ARG 126           HD2      ARG 126 117.523  14.326  -6.676
  858    HD3  ARG 126           HD1      ARG 126 116.536  15.784  -6.691
  859    HE   ARG 126           HE       ARG 126 116.767  14.743  -9.324
  860   HH11  ARG 126          HH11      ARG 126 115.033  13.544 -10.177
  861   HH12  ARG 126          HH12      ARG 126 113.804  12.939  -9.118
  862   HH21  ARG 126          HH21      ARG 126 115.260  14.230  -6.250
  863   HH22  ARG 126          HH22      ARG 126 113.937  13.318  -6.897
  864    H    ASP 127           HN       ASP 127 118.613  18.471 -11.301
  865    HA   ASP 127           HA       ASP 127 118.641  21.229 -11.550
  866    HB2  ASP 127           HB2      ASP 127 117.859  20.878 -13.716
  867    HB3  ASP 127           HB1      ASP 127 118.478  19.286 -13.321
  868    HA   PRO 128           HA       PRO 128 114.919  22.886  -9.863
  869    HB2  PRO 128           HB2      PRO 128 113.797  23.725 -12.499
  870    HB3  PRO 128           HB1      PRO 128 114.202  24.713 -11.081
  871    HG2  PRO 128           HG2      PRO 128 115.714  24.758 -13.275
  872    HG3  PRO 128           HG1      PRO 128 116.434  24.861 -11.658
  873    HD2  PRO 128           HD2      PRO 128 116.295  22.507 -13.516
  874    HD3  PRO 128           HD1      PRO 128 117.635  23.035 -12.470
  875    H    ALA 129           HN       ALA 129 112.833  22.327  -9.318
  876    HA   ALA 129           HA       ALA 129 111.486  20.254 -10.956
  877    HB1  ALA 129           HB1      ALA 129 110.747  19.243  -8.794
  878    HB2  ALA 129           HB2      ALA 129 111.850  20.335  -7.956
  879    HB3  ALA 129           HB3      ALA 129 112.483  19.129  -9.079
  880    HA   PRO 130           HA       PRO 130 108.484  23.620 -10.041
  881    HB2  PRO 130           HB2      PRO 130 107.196  23.656 -12.434
  882    HB3  PRO 130           HB1      PRO 130 108.753  24.472 -12.180
  883    HG2  PRO 130           HG2      PRO 130 108.177  21.866 -13.509
  884    HG3  PRO 130           HG1      PRO 130 109.360  23.114 -13.939
  885    HD2  PRO 130           HD2      PRO 130 109.973  20.776 -12.559
  886    HD3  PRO 130           HD1      PRO 130 110.968  22.249 -12.518
  887    H    ARG 131           HN       ARG 131 106.164  23.561  -9.730
  888    HA   ARG 131           HA       ARG 131 104.157  22.560  -9.231
  889    HB2  ARG 131           HB2      ARG 131 104.585  21.624 -11.645
  890    HB3  ARG 131           HB1      ARG 131 104.944  20.118 -10.809
  891    HG2  ARG 131           HG2      ARG 131 102.658  19.860 -11.150
  892    HG3  ARG 131           HG1      ARG 131 102.648  20.628  -9.565
  893    HD2  ARG 131           HD2      ARG 131 102.330  22.837 -10.659
  894    HD3  ARG 131           HD1      ARG 131 102.298  22.038 -12.230
  895    HE   ARG 131           HE       ARG 131 100.374  20.818 -10.576
  896   HH11  ARG 131          HH11      ARG 131  98.194  21.358 -10.857
  897   HH12  ARG 131          HH12      ARG 131  97.767  22.860 -11.607
  898   HH21  ARG 131          HH21      ARG 131 101.054  23.852 -12.097
  899   HH22  ARG 131          HH22      ARG 131  99.387  24.273 -12.309
  900    H    GLY 132           HN       GLY 132 104.820  22.385  -7.060
  901    HA2  GLY 132           HA2      GLY 132 106.403  20.712  -5.708
  902    HA3  GLY 132           HA1      GLY 132 104.794  21.096  -5.114
  903    HA   PRO 133           HA       PRO 133 103.640  16.879  -5.472
  904    HB2  PRO 133           HB2      PRO 133 101.044  17.002  -6.374
  905    HB3  PRO 133           HB1      PRO 133 101.521  17.454  -4.725
  906    HG2  PRO 133           HG2      PRO 133 100.995  19.208  -7.087
  907    HG3  PRO 133           HG1      PRO 133 100.526  19.432  -5.391
  908    HD2  PRO 133           HD2      PRO 133 102.663  20.723  -6.499
  909    HD3  PRO 133           HD1      PRO 133 102.615  20.262  -4.783
  910    H    ALA 134           HN       ALA 134 103.526  15.142  -6.934
  911    HA   ALA 134           HA       ALA 134 104.158  15.813  -9.708
  912    HB1  ALA 134           HB1      ALA 134 105.551  14.146  -8.661
  913    HB2  ALA 134           HB2      ALA 134 104.572  13.354  -9.896
  914    HB3  ALA 134           HB3      ALA 134 104.140  13.195  -8.194
  915    H    ARG 135           HN       ARG 135 102.818  15.533 -11.407
  916    HA   ARG 135           HA       ARG 135 100.035  14.911 -10.903
  917    HB2  ARG 135           HB2      ARG 135 101.464  15.342 -13.543
  918    HB3  ARG 135           HB1      ARG 135  99.723  15.385 -13.270
  919    HG2  ARG 135           HG2      ARG 135 100.054  17.298 -11.701
  920    HG3  ARG 135           HG1      ARG 135 101.771  17.294 -12.106
  921    HD2  ARG 135           HD2      ARG 135  99.502  17.683 -14.079
  922    HD3  ARG 135           HD1      ARG 135 100.532  18.963 -13.446
  923    HE   ARG 135           HE       ARG 135 101.200  17.123 -15.541
  924   HH11  ARG 135          HH11      ARG 135 103.286  17.297 -16.415
  925   HH12  ARG 135          HH12      ARG 135 104.520  18.136 -15.537
  926   HH21  ARG 135          HH21      ARG 135 102.458  18.926 -12.866
  927   HH22  ARG 135          HH22      ARG 135 104.048  19.072 -13.537
  928    H    PHE 136           HN       PHE 136  99.081  12.969 -11.155
  929    HA   PHE 136           HA       PHE 136 100.651  10.795 -12.427
  930    HB2  PHE 136           HB2      PHE 136  99.045  10.935  -9.926
  931    HB3  PHE 136           HB1      PHE 136  98.847   9.458 -10.872
  932    HD1  PHE 136           HD1      PHE 136 100.970  11.224  -8.555
  933    HD2  PHE 136           HD2      PHE 136 100.972   8.253 -11.655
  934    HE1  PHE 136           HE1      PHE 136 103.166  10.369  -7.745
  935    HE2  PHE 136           HE2      PHE 136 103.154   7.407 -10.852
  936    HZ   PHE 136           HZ       PHE 136 104.250   8.460  -8.893
  937    H    LEU 137           HN       LEU 137  99.829   9.671 -13.996
  938    HA   LEU 137           HA       LEU 137  97.083  10.260 -14.936
  939    HB2  LEU 137           HB2      LEU 137  99.717  10.012 -16.281
  940    HB3  LEU 137           HB1      LEU 137  98.393   9.204 -17.115
  941    HG   LEU 137           HG       LEU 137  98.041  12.044 -16.145
  942   HD11  LEU 137          HD11      LEU 137  99.418  11.125 -18.686
  943   HD12  LEU 137          HD12      LEU 137 100.089  12.166 -17.430
  944   HD13  LEU 137          HD13      LEU 137  98.781  12.754 -18.458
  945   HD21  LEU 137          HD21      LEU 137  96.966  10.575 -18.575
  946   HD22  LEU 137          HD22      LEU 137  96.410  12.123 -17.940
  947   HD23  LEU 137          HD23      LEU 137  96.126  10.642 -17.027
  948    HA   PRO 138           HA       PRO 138  96.949   5.823 -13.599
  949    HB2  PRO 138           HB2      PRO 138  94.036   6.377 -14.023
  950    HB3  PRO 138           HB1      PRO 138  94.841   5.596 -12.646
  951    HG2  PRO 138           HG2      PRO 138  93.905   8.078 -12.457
  952    HG3  PRO 138           HG1      PRO 138  95.435   7.619 -11.685
  953    HD2  PRO 138           HD2      PRO 138  94.994   9.177 -14.216
  954    HD3  PRO 138           HD1      PRO 138  96.223   9.406 -12.950
  955    H    LEU 139           HN       LEU 139  97.208   4.200 -15.114
  956    HA   LEU 139           HA       LEU 139  96.090   4.628 -17.816
  957    HB2  LEU 139           HB2      LEU 139  98.009   2.412 -17.157
  958    HB3  LEU 139           HB1      LEU 139  97.780   3.272 -18.675
  959    HG   LEU 139           HG       LEU 139  98.988   4.458 -16.157
  960   HD11  LEU 139          HD11      LEU 139 100.211   3.561 -18.784
  961   HD12  LEU 139          HD12      LEU 139 100.512   2.863 -17.192
  962   HD13  LEU 139          HD13      LEU 139 101.064   4.498 -17.557
  963   HD21  LEU 139          HD21      LEU 139  99.577   6.310 -17.755
  964   HD22  LEU 139          HD22      LEU 139  97.847   6.157 -17.450
  965   HD23  LEU 139          HD23      LEU 139  98.536   5.537 -18.949
  966    HA   PRO 140           HA       PRO 140  92.879   1.601 -16.908
  967    HB2  PRO 140           HB2      PRO 140  93.380   0.625 -19.698
  968    HB3  PRO 140           HB1      PRO 140  91.848   1.067 -18.920
  969    HG2  PRO 140           HG2      PRO 140  93.075   2.670 -20.703
  970    HG3  PRO 140           HG1      PRO 140  92.122   3.304 -19.351
  971    HD2  PRO 140           HD2      PRO 140  95.077   3.315 -19.718
  972    HD3  PRO 140           HD1      PRO 140  94.051   4.383 -18.735
  973    H    GLY 141           HN       GLY 141  93.258  -0.231 -15.744
  974    HA2  GLY 141           HA2      GLY 141  95.694  -1.721 -16.103
  975    HA3  GLY 141           HA1      GLY 141  94.442  -2.052 -14.911
  Start of MODEL    6
    1    H1   GLY  13           HT1      GLY  13  81.848   0.989  -1.742
    2    H2   GLY  13           HT2      GLY  13  81.978  -0.223  -2.928
    3    H3   GLY  13           HT3      GLY  13  80.448   0.283  -2.391
    4    HA2  GLY  13           HA2      GLY  13  80.370   1.969  -3.810
    5    HA3  GLY  13           HA1      GLY  13  82.008   2.465  -3.379
    6    H    GLN  14           HN       GLN  14  82.470   2.857  -5.607
    7    HA   GLN  14           HA       GLN  14  82.533   0.526  -7.402
    8    HB2  GLN  14           HB2      GLN  14  83.056   3.461  -7.923
    9    HB3  GLN  14           HB1      GLN  14  83.052   2.192  -9.149
   10    HG2  GLN  14           HG2      GLN  14  80.695   2.831  -7.356
   11    HG3  GLN  14           HG1      GLN  14  80.878   3.434  -9.001
   12   HE21  GLN  14          HE21      GLN  14  79.372   1.022  -7.286
   13   HE22  GLN  14          HE22      GLN  14  79.266  -0.158  -8.502
   14    H    VAL  15           HN       VAL  15  84.369  -0.438  -8.049
   15    HA   VAL  15           HA       VAL  15  86.957   0.774  -7.286
   16    HB   VAL  15           HB       VAL  15  86.588  -0.874  -5.628
   17   HG11  VAL  15          HG11      VAL  15  86.062  -3.265  -6.317
   18   HG12  VAL  15          HG12      VAL  15  85.686  -2.626  -7.917
   19   HG13  VAL  15          HG13      VAL  15  84.746  -2.109  -6.518
   20   HG21  VAL  15          HG21      VAL  15  88.208  -2.329  -7.731
   21   HG22  VAL  15          HG22      VAL  15  88.411  -2.384  -5.980
   22   HG23  VAL  15          HG23      VAL  15  88.822  -0.920  -6.867
   23    H    ARG  16           HN       ARG  16  88.532   0.652  -8.730
   24    HA   ARG  16           HA       ARG  16  88.202  -1.053 -11.129
   25    HB2  ARG  16           HB2      ARG  16  88.779   1.922 -11.078
   26    HB3  ARG  16           HB1      ARG  16  88.994   0.902 -12.503
   27    HG2  ARG  16           HG2      ARG  16  86.632   0.277 -12.452
   28    HG3  ARG  16           HG1      ARG  16  86.391   1.204 -10.974
   29    HD2  ARG  16           HD2      ARG  16  87.043   3.270 -12.194
   30    HD3  ARG  16           HD1      ARG  16  87.203   2.325 -13.674
   31    HE   ARG  16           HE       ARG  16  84.636   1.882 -12.589
   32   HH11  ARG  16          HH11      ARG  16  82.854   3.011 -13.417
   33   HH12  ARG  16          HH12      ARG  16  83.103   4.443 -14.360
   34   HH21  ARG  16          HH21      ARG  16  86.557   4.333 -14.102
   35   HH22  ARG  16          HH22      ARG  16  85.196   5.199 -14.732
   36    H    GLN  17           HN       GLN  17  90.108  -1.876 -11.932
   37    HA   GLN  17           HA       GLN  17  92.521  -1.384 -10.305
   38    HB2  GLN  17           HB2      GLN  17  93.308  -3.484 -11.607
   39    HB3  GLN  17           HB1      GLN  17  92.096  -3.687 -10.346
   40    HG2  GLN  17           HG2      GLN  17  90.314  -3.737 -11.965
   41    HG3  GLN  17           HG1      GLN  17  91.422  -3.308 -13.267
   42   HE21  GLN  17          HE21      GLN  17  93.534  -4.966 -13.050
   43   HE22  GLN  17          HE22      GLN  17  93.067  -6.597 -13.067
   44    H    ARG  18           HN       ARG  18  94.014  -0.047 -11.084
   45    HA   ARG  18           HA       ARG  18  94.677  -0.104 -13.935
   46    HB2  ARG  18           HB2      ARG  18  94.300   2.251 -14.277
   47    HB3  ARG  18           HB1      ARG  18  92.806   1.529 -13.678
   48    HG2  ARG  18           HG2      ARG  18  93.608   2.208 -11.332
   49    HG3  ARG  18           HG1      ARG  18  94.798   3.215 -12.157
   50    HD2  ARG  18           HD2      ARG  18  92.792   4.159 -13.483
   51    HD3  ARG  18           HD1      ARG  18  91.791   3.409 -12.248
   52    HE   ARG  18           HE       ARG  18  93.687   4.890 -10.874
   53   HH11  ARG  18          HH11      ARG  18  93.274   7.026 -10.218
   54   HH12  ARG  18          HH12      ARG  18  92.064   7.957 -11.034
   55   HH21  ARG  18          HH21      ARG  18  91.216   5.410 -13.234
   56   HH22  ARG  18          HH22      ARG  18  90.891   7.039 -12.740
   57    H    TYR  19           HN       TYR  19  96.618   1.147 -14.441
   58    HA   TYR  19           HA       TYR  19  98.568   0.991 -12.253
   59    HB2  TYR  19           HB2      TYR  19  98.908   1.582 -15.202
   60    HB3  TYR  19           HB1      TYR  19 100.219   1.403 -14.044
   61    HD1  TYR  19           HD1      TYR  19  97.403  -0.379 -15.691
   62    HD2  TYR  19           HD2      TYR  19 100.968  -0.746 -13.322
   63    HE1  TYR  19           HE1      TYR  19  97.383  -2.835 -16.039
   64    HE2  TYR  19           HE2      TYR  19 100.945  -3.200 -13.667
   65    HH   TYR  19           HH       TYR  19  99.888  -4.763 -15.650
   66    H    LEU  20           HN       LEU  20  99.885   2.739 -11.604
   67    HA   LEU  20           HA       LEU  20  98.880   5.430 -12.369
   68    HB2  LEU  20           HB2      LEU  20  98.941   4.355  -9.840
   69    HB3  LEU  20           HB1      LEU  20 100.510   5.157  -9.885
   70    HG   LEU  20           HG       LEU  20  99.204   7.210 -10.785
   71   HD11  LEU  20          HD11      LEU  20  96.905   7.276 -10.680
   72   HD12  LEU  20          HD12      LEU  20  96.813   6.140  -9.336
   73   HD13  LEU  20          HD13      LEU  20  97.079   5.548 -10.973
   74   HD21  LEU  20          HD21      LEU  20  98.467   7.812  -8.420
   75   HD22  LEU  20          HD22      LEU  20 100.142   7.281  -8.576
   76   HD23  LEU  20          HD23      LEU  20  98.919   6.173  -7.951
   77    H    TYR  21           HN       TYR  21 100.205   6.526 -13.637
   78    HA   TYR  21           HA       TYR  21 103.130   6.037 -13.474
   79    HB2  TYR  21           HB2      TYR  21 102.513   4.869 -15.410
   80    HB3  TYR  21           HB1      TYR  21 101.282   6.047 -15.849
   81    HD1  TYR  21           HD1      TYR  21 104.955   5.514 -15.594
   82    HD2  TYR  21           HD2      TYR  21 101.799   7.916 -17.227
   83    HE1  TYR  21           HE1      TYR  21 106.600   6.707 -17.013
   84    HE2  TYR  21           HE2      TYR  21 103.440   9.104 -18.656
   85    HH   TYR  21           HH       TYR  21 106.535   9.251 -18.159
   86    H    THR  22           HN       THR  22 104.458   7.756 -13.677
   87    HA   THR  22           HA       THR  22 103.415  10.380 -14.469
   88    HB   THR  22           HB       THR  22 103.155  10.390 -12.040
   89    HG1  THR  22           HG1      THR  22 104.353  12.134 -13.383
   90   HG21  THR  22          HG21      THR  22 104.773   8.600 -11.569
   91   HG22  THR  22          HG22      THR  22 105.103  10.031 -10.594
   92   HG23  THR  22          HG23      THR  22 106.094   9.677 -12.006
   93    H    SER  23           HN       SER  23 105.289  11.964 -14.695
   94    HA   SER  23           HA       SER  23 107.856  10.599 -15.246
   95    HB2  SER  23           HB2      SER  23 107.991  11.318 -17.447
   96    HB3  SER  23           HB1      SER  23 106.267  10.981 -17.318
   97    HG   SER  23           HG       SER  23 107.068  13.131 -18.174
   98    H    GLY  24           HN       GLY  24 109.599  11.730 -14.651
   99    HA2  GLY  24           HA2      GLY  24 109.255  14.589 -13.903
  100    HA3  GLY  24           HA1      GLY  24 110.196  13.460 -12.934
  101    HA   PRO  25           HA       PRO  25 113.793  13.940 -15.455
  102    HB2  PRO  25           HB2      PRO  25 113.733  11.244 -16.706
  103    HB3  PRO  25           HB1      PRO  25 114.913  11.925 -15.567
  104    HG2  PRO  25           HG2      PRO  25 113.182  10.020 -14.826
  105    HG3  PRO  25           HG1      PRO  25 113.675  11.315 -13.717
  106    HD2  PRO  25           HD2      PRO  25 111.132  11.074 -15.309
  107    HD3  PRO  25           HD1      PRO  25 111.357  11.586 -13.619
  108    H    HIS  26           HN       HIS  26 114.599  14.439 -17.563
  109    HA   HIS  26           HA       HIS  26 112.715  15.269 -19.456
  110    HB2  HIS  26           HB2      HIS  26 115.061  16.103 -19.316
  111    HB3  HIS  26           HB1      HIS  26 115.616  14.560 -19.967
  112    HD2  HIS  26           HD2      HIS  26 114.048  17.878 -21.247
  113    HE1  HIS  26           HE1      HIS  26 114.288  15.250 -24.540
  114    HE2  HIS  26           HE2      HIS  26 113.817  17.642 -23.837
  115    H    GLY  27           HN       GLY  27 114.715  12.342 -19.338
  116    HA2  GLY  27           HA2      GLY  27 112.745  10.848 -20.831
  117    HA3  GLY  27           HA1      GLY  27 114.248  11.109 -21.712
  118    H    LEU  28           HN       LEU  28 115.899   9.723 -21.351
  119    HA   LEU  28           HA       LEU  28 117.153   8.042 -20.420
  120    HB2  LEU  28           HB2      LEU  28 116.868   9.664 -18.392
  121    HB3  LEU  28           HB1      LEU  28 115.739   8.460 -17.789
  122    HG   LEU  28           HG       LEU  28 118.540   7.685 -18.653
  123   HD11  LEU  28          HD11      LEU  28 119.130   7.838 -16.219
  124   HD12  LEU  28          HD12      LEU  28 117.603   8.679 -15.949
  125   HD13  LEU  28          HD13      LEU  28 118.841   9.405 -16.975
  126   HD21  LEU  28          HD21      LEU  28 118.093   5.874 -16.940
  127   HD22  LEU  28          HD22      LEU  28 117.037   5.807 -18.344
  128   HD23  LEU  28          HD23      LEU  28 116.439   6.470 -16.822
  129    H    SER  29           HN       SER  29 114.148   7.783 -18.525
  130    HA   SER  29           HA       SER  29 113.205   5.520 -20.025
  131    HB2  SER  29           HB2      SER  29 115.025   4.452 -18.761
  132    HB3  SER  29           HB1      SER  29 114.322   5.033 -17.255
  133    HG   SER  29           HG       SER  29 113.739   2.831 -18.590
  134    H    SER  30           HN       SER  30 111.197   4.667 -19.210
  135    HA   SER  30           HA       SER  30 109.536   6.701 -18.028
  136    HB2  SER  30           HB2      SER  30 108.494   5.429 -19.720
  137    HB3  SER  30           HB1      SER  30 109.066   3.906 -19.046
  138    HG   SER  30           HG       SER  30 106.777   5.100 -18.595
  139    H    CYS  31           HN       CYS  31 108.319   6.515 -16.070
  140    HA   CYS  31           HA       CYS  31 109.346   4.514 -14.130
  141    HB2  CYS  31           HB2      CYS  31 109.537   7.432 -14.044
  142    HB3  CYS  31           HB1      CYS  31 108.748   6.798 -12.606
  143    H    HIS  32           HN       HIS  32 107.758   3.250 -13.510
  144    HA   HIS  32           HA       HIS  32 104.982   4.284 -13.320
  145    HB2  HIS  32           HB2      HIS  32 105.778   1.371 -13.444
  146    HB3  HIS  32           HB1      HIS  32 104.209   2.093 -13.789
  147    HD2  HIS  32           HD2      HIS  32 103.825   2.505 -16.485
  148    HE1  HIS  32           HE1      HIS  32 107.862   2.420 -17.699
  149    HE2  HIS  32           HE2      HIS  32 105.463   2.620 -18.510
  150    H    LEU  33           HN       LEU  33 104.201   4.507 -11.291
  151    HA   LEU  33           HA       LEU  33 105.655   4.096  -8.981
  152    HB2  LEU  33           HB2      LEU  33 103.335   5.296  -9.481
  153    HB3  LEU  33           HB1      LEU  33 102.668   3.789  -8.868
  154    HG   LEU  33           HG       LEU  33 104.570   5.658  -7.421
  155   HD11  LEU  33          HD11      LEU  33 102.314   6.476  -7.357
  156   HD12  LEU  33          HD12      LEU  33 102.624   5.714  -5.797
  157   HD13  LEU  33          HD13      LEU  33 101.678   4.866  -7.021
  158   HD21  LEU  33          HD21      LEU  33 105.262   3.538  -6.684
  159   HD22  LEU  33          HD22      LEU  33 103.632   2.869  -6.772
  160   HD23  LEU  33          HD23      LEU  33 104.055   3.998  -5.486
  161    H    GLU  34           HN       GLU  34 106.242   2.390  -7.836
  162    HA   GLU  34           HA       GLU  34 104.682  -0.114  -7.966
  163    HB2  GLU  34           HB2      GLU  34 106.887  -1.344  -7.916
  164    HB3  GLU  34           HB1      GLU  34 106.514  -0.552  -9.447
  165    HG2  GLU  34           HG2      GLU  34 107.978   1.286  -8.919
  166    HG3  GLU  34           HG1      GLU  34 108.204   0.706  -7.271
  167    H    ILE  35           HN       ILE  35 104.641  -1.298  -6.090
  168    HA   ILE  35           HA       ILE  35 105.910  -0.011  -3.715
  169    HB   ILE  35           HB       ILE  35 103.384  -1.678  -3.833
  170   HG12  ILE  35          HG12      ILE  35 103.769   1.284  -3.284
  171   HG13  ILE  35          HG11      ILE  35 103.210   0.625  -4.823
  172   HG21  ILE  35          HG21      ILE  35 104.549  -1.969  -1.716
  173   HG22  ILE  35          HG22      ILE  35 103.189  -0.885  -1.446
  174   HG23  ILE  35          HG23      ILE  35 104.821  -0.233  -1.583
  175   HD11  ILE  35          HD11      ILE  35 101.324  -0.484  -3.595
  176   HD12  ILE  35          HD12      ILE  35 101.267   1.278  -3.520
  177   HD13  ILE  35          HD13      ILE  35 101.844   0.354  -2.132
  178    H    ARG  36           HN       ARG  36 107.428  -1.145  -2.743
  179    HA   ARG  36           HA       ARG  36 108.067  -3.834  -3.560
  180    HB2  ARG  36           HB2      ARG  36 109.198  -1.874  -1.586
  181    HB3  ARG  36           HB1      ARG  36 109.727  -3.552  -1.545
  182    HG2  ARG  36           HG2      ARG  36 111.233  -2.203  -2.942
  183    HG3  ARG  36           HG1      ARG  36 110.394  -3.409  -3.915
  184    HD2  ARG  36           HD2      ARG  36 108.831  -1.750  -4.730
  185    HD3  ARG  36           HD1      ARG  36 109.476  -0.537  -3.626
  186    HE   ARG  36           HE       ARG  36 111.269  -0.233  -5.082
  187   HH11  ARG  36          HH11      ARG  36 112.353  -0.562  -7.032
  188   HH12  ARG  36          HH12      ARG  36 111.927  -1.902  -8.044
  189   HH21  ARG  36          HH21      ARG  36 109.456  -3.071  -5.909
  190   HH22  ARG  36          HH22      ARG  36 110.280  -3.319  -7.411
  191    H    GLU  37           HN       GLU  37 108.224  -5.652  -2.142
  192    HA   GLU  37           HA       GLU  37 105.902  -6.109  -0.549
  193    HB2  GLU  37           HB2      GLU  37 108.508  -7.650  -0.727
  194    HB3  GLU  37           HB1      GLU  37 107.023  -8.245   0.012
  195    HG2  GLU  37           HG2      GLU  37 107.037  -7.264  -2.835
  196    HG3  GLU  37           HG1      GLU  37 107.534  -8.909  -2.451
  197    H    ASP  38           HN       ASP  38 109.127  -5.019  -0.033
  198    HA   ASP  38           HA       ASP  38 109.178  -5.325   2.821
  199    HB2  ASP  38           HB2      ASP  38 110.873  -3.549   1.049
  200    HB3  ASP  38           HB1      ASP  38 111.249  -4.064   2.690
  201    H    GLY  39           HN       GLY  39 107.519  -3.310   0.759
  202    HA2  GLY  39           HA2      GLY  39 106.001  -1.644   1.412
  203    HA3  GLY  39           HA1      GLY  39 106.860  -1.471   2.937
  204    H    THR  40           HN       THR  40 108.978  -1.515   0.268
  205    HA   THR  40           HA       THR  40 109.605   1.284   0.664
  206    HB   THR  40           HB       THR  40 110.796  -0.211  -1.633
  207    HG1  THR  40           HG1      THR  40 112.099  -0.884   0.578
  208   HG21  THR  40          HG21      THR  40 111.533   2.073  -0.894
  209   HG22  THR  40          HG22      THR  40 112.823   0.873  -0.872
  210   HG23  THR  40          HG23      THR  40 112.049   1.361   0.635
  211    H    VAL  41           HN       VAL  41 109.769   2.776  -1.255
  212    HA   VAL  41           HA       VAL  41 107.646   2.251  -3.257
  213    HB   VAL  41           HB       VAL  41 108.004   4.756  -1.604
  214   HG11  VAL  41          HG11      VAL  41 105.943   5.468  -2.945
  215   HG12  VAL  41          HG12      VAL  41 106.346   4.159  -4.058
  216   HG13  VAL  41          HG13      VAL  41 107.479   5.489  -3.812
  217   HG21  VAL  41          HG21      VAL  41 106.768   3.090  -0.394
  218   HG22  VAL  41          HG22      VAL  41 105.848   2.636  -1.829
  219   HG23  VAL  41          HG23      VAL  41 105.575   4.202  -1.064
  220    H    GLY  42           HN       GLY  42 108.038   2.897  -5.262
  221    HA2  GLY  42           HA2      GLY  42 109.862   4.918  -6.059
  222    HA3  GLY  42           HA1      GLY  42 110.622   3.330  -6.208
  223    H    CYS  43           HN       CYS  43 110.509   4.213  -8.581
  224    HA   CYS  43           HA       CYS  43 107.913   3.427  -9.765
  225    HB2  CYS  43           HB2      CYS  43 108.704   4.673 -11.783
  226    HB3  CYS  43           HB1      CYS  43 108.359   5.677 -10.379
  227    H    ALA  44           HN       ALA  44 107.961   2.264 -11.766
  228    HA   ALA  44           HA       ALA  44 110.330   0.506 -12.090
  229    HB1  ALA  44           HB1      ALA  44 108.587  -1.055 -13.158
  230    HB2  ALA  44           HB2      ALA  44 107.368  -0.006 -12.438
  231    HB3  ALA  44           HB3      ALA  44 108.507  -0.866 -11.405
  232    H    ALA  45           HN       ALA  45 110.813  -0.114 -14.321
  233    HA   ALA  45           HA       ALA  45 109.922   1.947 -16.277
  234    HB1  ALA  45           HB1      ALA  45 112.242   2.229 -15.879
  235    HB2  ALA  45           HB2      ALA  45 112.121   1.373 -17.418
  236    HB3  ALA  45           HB3      ALA  45 112.547   0.492 -15.950
  237    H    ASP  46           HN       ASP  46 109.701  -1.352 -15.533
  238    HA   ASP  46           HA       ASP  46 109.232  -2.063 -18.385
  239    HB2  ASP  46           HB2      ASP  46 111.075  -3.242 -17.030
  240    HB3  ASP  46           HB1      ASP  46 109.753  -4.032 -16.174
  241    H    GLN  47           HN       GLN  47 107.362  -0.969 -16.135
  242    HA   GLN  47           HA       GLN  47 105.216  -1.367 -15.367
  243    HB2  GLN  47           HB2      GLN  47 105.174  -2.632 -18.107
  244    HB3  GLN  47           HB1      GLN  47 103.730  -2.320 -17.145
  245    HG2  GLN  47           HG2      GLN  47 104.221   0.063 -17.114
  246    HG3  GLN  47           HG1      GLN  47 105.743  -0.207 -17.963
  247   HE21  GLN  47          HE21      GLN  47 102.521   0.658 -18.464
  248   HE22  GLN  47          HE22      GLN  47 102.415   0.284 -20.117
  249    H    SER  48           HN       SER  48 105.343  -2.750 -13.618
  250    HA   SER  48           HA       SER  48 105.089  -5.652 -14.187
  251    HB2  SER  48           HB2      SER  48 107.166  -5.540 -13.149
  252    HB3  SER  48           HB1      SER  48 106.711  -4.158 -12.160
  253    HG   SER  48           HG       SER  48 105.134  -5.786 -11.232
  254    HA   PRO  49           HA       PRO  49 101.172  -5.709 -12.095
  255    HB2  PRO  49           HB2      PRO  49 102.291  -7.797 -10.250
  256    HB3  PRO  49           HB1      PRO  49 100.793  -7.819 -11.202
  257    HG2  PRO  49           HG2      PRO  49 102.965  -9.205 -11.942
  258    HG3  PRO  49           HG1      PRO  49 101.869  -8.471 -13.125
  259    HD2  PRO  49           HD2      PRO  49 104.620  -7.632 -12.346
  260    HD3  PRO  49           HD1      PRO  49 103.743  -7.375 -13.868
  261    H    GLU  50           HN       GLU  50 104.079  -5.645 -10.101
  262    HA   GLU  50           HA       GLU  50 103.006  -4.947  -7.629
  263    HB2  GLU  50           HB2      GLU  50 105.201  -3.976  -7.141
  264    HB3  GLU  50           HB1      GLU  50 105.382  -5.500  -8.012
  265    HG2  GLU  50           HG2      GLU  50 105.544  -4.184 -10.142
  266    HG3  GLU  50           HG1      GLU  50 105.563  -2.716  -9.184
  267    H    SER  51           HN       SER  51 103.156  -3.111 -10.543
  268    HA   SER  51           HA       SER  51 102.802  -0.557  -9.193
  269    HB2  SER  51           HB2      SER  51 103.137  -1.413 -12.053
  270    HB3  SER  51           HB1      SER  51 102.562   0.206 -11.664
  271    HG   SER  51           HG       SER  51 104.560  -0.214 -10.067
  272    H    LEU  52           HN       LEU  52 100.874  -3.109 -10.306
  273    HA   LEU  52           HA       LEU  52  98.575  -1.600 -11.083
  274    HB2  LEU  52           HB2      LEU  52  99.352  -4.242 -11.283
  275    HB3  LEU  52           HB1      LEU  52  98.126  -4.339 -10.026
  276    HG   LEU  52           HG       LEU  52  97.731  -3.044 -12.742
  277   HD11  LEU  52          HD11      LEU  52  96.998  -5.750 -11.615
  278   HD12  LEU  52          HD12      LEU  52  97.899  -5.393 -13.091
  279   HD13  LEU  52          HD13      LEU  52  96.169  -5.059 -13.011
  280   HD21  LEU  52          HD21      LEU  52  96.348  -2.201 -10.736
  281   HD22  LEU  52          HD22      LEU  52  95.613  -3.802 -10.722
  282   HD23  LEU  52          HD23      LEU  52  95.452  -2.768 -12.143
  283    H    LEU  53           HN       LEU  53  97.276  -0.497  -9.773
  284    HA   LEU  53           HA       LEU  53  97.115  -1.278  -6.903
  285    HB2  LEU  53           HB2      LEU  53  96.950   1.478  -8.137
  286    HB3  LEU  53           HB1      LEU  53  96.763   1.106  -6.426
  287    HG   LEU  53           HG       LEU  53  99.257   0.237  -7.903
  288   HD11  LEU  53          HD11      LEU  53  98.615   2.985  -6.826
  289   HD12  LEU  53          HD12      LEU  53  99.237   2.549  -8.418
  290   HD13  LEU  53          HD13      LEU  53 100.274   2.411  -7.001
  291   HD21  LEU  53          HD21      LEU  53 100.209   0.688  -5.566
  292   HD22  LEU  53          HD22      LEU  53  99.094  -0.663  -5.696
  293   HD23  LEU  53          HD23      LEU  53  98.543   0.866  -5.021
  294    H    GLN  54           HN       GLN  54  95.132  -1.842  -6.241
  295    HA   GLN  54           HA       GLN  54  92.865  -1.516  -8.014
  296    HB2  GLN  54           HB2      GLN  54  93.073  -2.575  -5.187
  297    HB3  GLN  54           HB1      GLN  54  91.563  -2.504  -6.098
  298    HG2  GLN  54           HG2      GLN  54  92.605  -3.871  -7.886
  299    HG3  GLN  54           HG1      GLN  54  94.061  -3.986  -6.907
  300   HE21  GLN  54          HE21      GLN  54  94.023  -5.400  -5.034
  301   HE22  GLN  54          HE22      GLN  54  92.725  -6.453  -4.738
  302    H    LEU  55           HN       LEU  55  91.959   0.415  -8.243
  303    HA   LEU  55           HA       LEU  55  92.073   2.380  -6.101
  304    HB2  LEU  55           HB2      LEU  55  92.467   3.045  -8.425
  305    HB3  LEU  55           HB1      LEU  55  90.855   2.500  -8.866
  306    HG   LEU  55           HG       LEU  55  90.822   4.366  -6.565
  307   HD11  LEU  55          HD11      LEU  55  91.384   6.381  -7.792
  308   HD12  LEU  55          HD12      LEU  55  91.716   5.448  -9.253
  309   HD13  LEU  55          HD13      LEU  55  92.765   5.287  -7.842
  310   HD21  LEU  55          HD21      LEU  55  88.853   3.605  -7.971
  311   HD22  LEU  55          HD22      LEU  55  89.501   4.585  -9.286
  312   HD23  LEU  55          HD23      LEU  55  88.992   5.354  -7.784
  313    H    LYS  56           HN       LYS  56  90.623   2.369  -4.544
  314    HA   LYS  56           HA       LYS  56  87.848   1.470  -5.128
  315    HB2  LYS  56           HB2      LYS  56  89.356   1.544  -2.502
  316    HB3  LYS  56           HB1      LYS  56  87.677   1.052  -2.695
  317    HG2  LYS  56           HG2      LYS  56  88.393  -0.770  -4.204
  318    HG3  LYS  56           HG1      LYS  56  90.071  -0.288  -3.980
  319    HD2  LYS  56           HD2      LYS  56  89.881  -0.723  -1.562
  320    HD3  LYS  56           HD1      LYS  56  88.192  -1.184  -1.774
  321    HE2  LYS  56           HE2      LYS  56  89.347  -3.246  -1.763
  322    HE3  LYS  56           HE1      LYS  56  89.079  -2.922  -3.475
  323    HZ1  LYS  56           HZ1      LYS  56  91.564  -2.487  -1.915
  324    HZ2  LYS  56           HZ2      LYS  56  91.328  -1.862  -3.477
  325    HZ3  LYS  56           HZ3      LYS  56  91.334  -3.542  -3.223
  326    H    ALA  57           HN       ALA  57  86.229   2.858  -4.832
  327    HA   ALA  57           HA       ALA  57  86.895   5.619  -4.083
  328    HB1  ALA  57           HB1      ALA  57  84.501   4.323  -5.385
  329    HB2  ALA  57           HB2      ALA  57  85.682   5.403  -6.125
  330    HB3  ALA  57           HB3      ALA  57  84.545   6.027  -4.929
  331    H    LEU  58           HN       LEU  58  86.905   5.846  -1.887
  332    HA   LEU  58           HA       LEU  58  85.063   4.481  -0.154
  333    HB2  LEU  58           HB2      LEU  58  86.637   6.992   0.458
  334    HB3  LEU  58           HB1      LEU  58  86.002   5.824   1.612
  335    HG   LEU  58           HG       LEU  58  88.172   5.312  -0.441
  336   HD11  LEU  58          HD11      LEU  58  89.107   6.573   1.337
  337   HD12  LEU  58          HD12      LEU  58  89.477   4.898   1.743
  338   HD13  LEU  58          HD13      LEU  58  88.151   5.726   2.553
  339   HD21  LEU  58          HD21      LEU  58  88.346   3.131   0.975
  340   HD22  LEU  58          HD22      LEU  58  87.056   3.241  -0.222
  341   HD23  LEU  58          HD23      LEU  58  86.699   3.507   1.484
  342    H    LYS  59           HN       LYS  59  85.484   7.907  -0.969
  343    HA   LYS  59           HA       LYS  59  82.564   8.308  -0.866
  344    HB2  LYS  59           HB2      LYS  59  84.626  10.148   0.366
  345    HB3  LYS  59           HB1      LYS  59  82.887  10.411   0.336
  346    HG2  LYS  59           HG2      LYS  59  82.489   8.513   1.760
  347    HG3  LYS  59           HG1      LYS  59  84.167   7.996   1.636
  348    HD2  LYS  59           HD2      LYS  59  83.475  10.724   2.735
  349    HD3  LYS  59           HD1      LYS  59  83.429   9.300   3.770
  350    HE2  LYS  59           HE2      LYS  59  85.830   8.828   2.969
  351    HE3  LYS  59           HE1      LYS  59  85.813  10.465   2.316
  352    HZ1  LYS  59           HZ1      LYS  59  85.965  11.357   4.335
  353    HZ2  LYS  59           HZ2      LYS  59  86.480   9.818   4.838
  354    HZ3  LYS  59           HZ3      LYS  59  84.854  10.275   5.021
  355    HA   PRO  60           HA       PRO  60  83.071  10.359  -4.780
  356    HB2  PRO  60           HB2      PRO  60  81.727  12.730  -3.515
  357    HB3  PRO  60           HB1      PRO  60  81.368  11.925  -5.056
  358    HG2  PRO  60           HG2      PRO  60  79.856  11.544  -2.873
  359    HG3  PRO  60           HG1      PRO  60  80.141  10.259  -4.058
  360    HD2  PRO  60           HD2      PRO  60  81.217  10.524  -1.299
  361    HD3  PRO  60           HD1      PRO  60  81.003   9.069  -2.297
  362    H    GLY  61           HN       GLY  61  85.189  10.896  -5.130
  363    HA2  GLY  61           HA2      GLY  61  86.756  12.663  -5.507
  364    HA3  GLY  61           HA1      GLY  61  86.153  13.483  -4.074
  365    H    VAL  62           HN       VAL  62  86.239  10.666  -2.745
  366    HA   VAL  62           HA       VAL  62  89.136  10.740  -2.075
  367    HB   VAL  62           HB       VAL  62  86.820   9.780  -0.375
  368   HG11  VAL  62          HG11      VAL  62  89.776  10.176   0.174
  369   HG12  VAL  62          HG12      VAL  62  88.903   8.644   0.168
  370   HG13  VAL  62          HG13      VAL  62  88.574   9.841   1.420
  371   HG21  VAL  62          HG21      VAL  62  88.468  12.324  -0.208
  372   HG22  VAL  62          HG22      VAL  62  87.201  11.836   0.922
  373   HG23  VAL  62          HG23      VAL  62  86.790  12.231  -0.747
  374    H    ILE  63           HN       ILE  63  90.296   8.957  -2.509
  375    HA   ILE  63           HA       ILE  63  88.875   6.390  -2.916
  376    HB   ILE  63           HB       ILE  63  90.166   5.947  -4.894
  377   HG12  ILE  63          HG12      ILE  63  91.611   8.022  -5.725
  378   HG13  ILE  63          HG11      ILE  63  91.659   8.424  -4.014
  379   HG21  ILE  63          HG21      ILE  63  89.314   7.711  -6.364
  380   HG22  ILE  63          HG22      ILE  63  89.102   8.782  -4.978
  381   HG23  ILE  63          HG23      ILE  63  88.118   7.326  -5.123
  382   HD11  ILE  63          HD11      ILE  63  93.280   6.551  -5.425
  383   HD12  ILE  63          HD12      ILE  63  92.304   5.620  -4.293
  384   HD13  ILE  63          HD13      ILE  63  93.318   6.936  -3.710
  385    H    GLN  64           HN       GLN  64  90.348   4.537  -2.932
  386    HA   GLN  64           HA       GLN  64  92.762   4.881  -1.237
  387    HB2  GLN  64           HB2      GLN  64  90.887   4.020   0.134
  388    HB3  GLN  64           HB1      GLN  64  90.679   2.685  -0.989
  389    HG2  GLN  64           HG2      GLN  64  93.023   1.970  -0.516
  390    HG3  GLN  64           HG1      GLN  64  93.142   3.263   0.678
  391   HE21  GLN  64          HE21      GLN  64  93.440   0.582   1.509
  392   HE22  GLN  64          HE22      GLN  64  92.091   0.129   2.430
  393    H    ILE  65           HN       ILE  65  94.481   3.550  -1.799
  394    HA   ILE  65           HA       ILE  65  94.119   1.888  -4.238
  395    HB   ILE  65           HB       ILE  65  96.668   2.520  -4.507
  396   HG12  ILE  65          HG12      ILE  65  95.600   4.822  -2.839
  397   HG13  ILE  65          HG11      ILE  65  96.791   3.645  -2.293
  398   HG21  ILE  65          HG21      ILE  65  94.794   3.188  -6.030
  399   HG22  ILE  65          HG22      ILE  65  96.039   4.427  -5.878
  400   HG23  ILE  65          HG23      ILE  65  94.515   4.598  -5.006
  401   HD11  ILE  65          HD11      ILE  65  98.213   4.345  -4.276
  402   HD12  ILE  65          HD12      ILE  65  98.004   5.577  -3.029
  403   HD13  ILE  65          HD13      ILE  65  97.072   5.666  -4.522
  404    H    LEU  66           HN       LEU  66  94.703  -0.150  -4.143
  405    HA   LEU  66           HA       LEU  66  96.494  -1.084  -1.980
  406    HB2  LEU  66           HB2      LEU  66  94.169  -1.516  -1.357
  407    HB3  LEU  66           HB1      LEU  66  93.869  -2.286  -2.899
  408    HG   LEU  66           HG       LEU  66  94.294  -3.763  -0.796
  409   HD11  LEU  66          HD11      LEU  66  96.033  -4.542  -3.116
  410   HD12  LEU  66          HD12      LEU  66  94.285  -4.473  -3.293
  411   HD13  LEU  66          HD13      LEU  66  95.009  -5.549  -2.106
  412   HD21  LEU  66          HD21      LEU  66  96.408  -2.509  -0.182
  413   HD22  LEU  66          HD22      LEU  66  97.179  -3.295  -1.558
  414   HD23  LEU  66          HD23      LEU  66  96.549  -4.261  -0.230
  415    H    GLY  67           HN       GLY  67  98.216  -2.056  -2.852
  416    HA2  GLY  67           HA2      GLY  67  98.319  -2.805  -5.624
  417    HA3  GLY  67           HA1      GLY  67  99.593  -3.037  -4.439
  418    H    VAL  68           HN       VAL  68  97.829  -4.651  -6.535
  419    HA   VAL  68           HA       VAL  68  96.673  -6.786  -5.087
  420    HB   VAL  68           HB       VAL  68  96.485  -7.883  -7.218
  421   HG11  VAL  68          HG11      VAL  68  95.607  -5.920  -8.612
  422   HG12  VAL  68          HG12      VAL  68  96.145  -4.877  -7.297
  423   HG13  VAL  68          HG13      VAL  68  94.916  -6.113  -7.001
  424   HG21  VAL  68          HG21      VAL  68  97.619  -6.749  -9.219
  425   HG22  VAL  68          HG22      VAL  68  98.667  -7.670  -8.142
  426   HG23  VAL  68          HG23      VAL  68  98.622  -5.910  -8.035
  427    H    LYS  69           HN       LYS  69  99.879  -6.457  -6.609
  428    HA   LYS  69           HA       LYS  69 100.649  -9.131  -6.185
  429    HB2  LYS  69           HB2      LYS  69 101.696  -7.364  -7.727
  430    HB3  LYS  69           HB1      LYS  69 102.585  -6.828  -6.309
  431    HG2  LYS  69           HG2      LYS  69 102.644  -9.768  -6.987
  432    HG3  LYS  69           HG1      LYS  69 103.605  -8.667  -7.964
  433    HD2  LYS  69           HD2      LYS  69 104.648  -7.793  -5.850
  434    HD3  LYS  69           HD1      LYS  69 103.785  -9.049  -4.964
  435    HE2  LYS  69           HE2      LYS  69 105.676  -9.590  -7.264
  436    HE3  LYS  69           HE1      LYS  69 106.124  -9.706  -5.562
  437    HZ1  LYS  69           HZ1      LYS  69 105.296 -11.743  -5.541
  438    HZ2  LYS  69           HZ2      LYS  69 104.804 -11.603  -7.161
  439    HZ3  LYS  69           HZ3      LYS  69 103.757 -11.132  -5.908
  440    H    THR  70           HN       THR  70 101.393  -6.221  -4.247
  441    HA   THR  70           HA       THR  70 102.640  -7.925  -2.206
  442    HB   THR  70           HB       THR  70 103.398  -5.867  -1.190
  443    HG1  THR  70           HG1      THR  70 102.078  -4.464  -3.248
  444   HG21  THR  70          HG21      THR  70 104.282  -6.810  -3.601
  445   HG22  THR  70          HG22      THR  70 105.026  -5.451  -2.757
  446   HG23  THR  70          HG23      THR  70 103.849  -5.158  -4.037
  447    H    SER  71           HN       SER  71  99.624  -6.314  -2.765
  448    HA   SER  71           HA       SER  71  97.705  -6.248  -1.473
  449    HB2  SER  71           HB2      SER  71  97.351  -8.099  -0.174
  450    HB3  SER  71           HB1      SER  71  98.913  -8.619  -0.799
  451    HG   SER  71           HG       SER  71  99.534  -8.548   1.201
  452    H    ARG  72           HN       ARG  72  99.947  -4.346  -1.136
  453    HA   ARG  72           HA       ARG  72  99.733  -3.594   1.709
  454    HB2  ARG  72           HB2      ARG  72 101.540  -2.513  -0.468
  455    HB3  ARG  72           HB1      ARG  72 101.635  -2.147   1.247
  456    HG2  ARG  72           HG2      ARG  72 101.833  -4.991   0.276
  457    HG3  ARG  72           HG1      ARG  72 103.247  -3.943   0.280
  458    HD2  ARG  72           HD2      ARG  72 102.863  -3.514   2.709
  459    HD3  ARG  72           HD1      ARG  72 101.542  -4.680   2.674
  460    HE   ARG  72           HE       ARG  72 104.401  -5.274   2.466
  461   HH11  ARG  72          HH11      ARG  72 104.921  -7.475   2.653
  462   HH12  ARG  72          HH12      ARG  72 103.663  -8.664   2.615
  463   HH21  ARG  72          HH21      ARG  72 101.114  -6.349   2.232
  464   HH22  ARG  72          HH22      ARG  72 101.512  -8.026   2.389
  465    H    PHE  73           HN       PHE  73  98.861  -1.674   2.344
  466    HA   PHE  73           HA       PHE  73  97.321  -0.169   0.329
  467    HB2  PHE  73           HB2      PHE  73  97.325   0.021   3.364
  468    HB3  PHE  73           HB1      PHE  73  96.218   0.856   2.277
  469    HD1  PHE  73           HD1      PHE  73  96.930  -2.241   4.028
  470    HD2  PHE  73           HD2      PHE  73  94.675  -0.508   0.803
  471    HE1  PHE  73           HE1      PHE  73  95.429  -4.215   4.013
  472    HE2  PHE  73           HE2      PHE  73  93.172  -2.480   0.795
  473    HZ   PHE  73           HZ       PHE  73  93.550  -4.333   2.398
  474    H    LEU  74           HN       LEU  74  98.331   1.577  -0.557
  475    HA   LEU  74           HA       LEU  74 100.708   2.667   0.620
  476    HB2  LEU  74           HB2      LEU  74 100.558   2.704  -1.771
  477    HB3  LEU  74           HB1      LEU  74  99.022   3.561  -1.721
  478    HG   LEU  74           HG       LEU  74 100.088   5.562  -0.844
  479   HD11  LEU  74          HD11      LEU  74 102.489   3.740  -0.615
  480   HD12  LEU  74          HD12      LEU  74 101.760   4.754   0.629
  481   HD13  LEU  74          HD13      LEU  74 102.675   5.494  -0.680
  482   HD21  LEU  74          HD21      LEU  74 101.383   6.183  -2.741
  483   HD22  LEU  74          HD22      LEU  74 100.236   4.985  -3.332
  484   HD23  LEU  74          HD23      LEU  74 101.907   4.524  -3.022
  485    H    CYS  75           HN       CYS  75 100.758   3.953   2.298
  486    HA   CYS  75           HA       CYS  75  98.714   6.068   2.588
  487    HB2  CYS  75           HB2      CYS  75  99.892   4.500   4.886
  488    HB3  CYS  75           HB1      CYS  75  98.561   5.656   4.941
  489    H    GLN  76           HN       GLN  76  99.456   8.031   3.328
  490    HA   GLN  76           HA       GLN  76 102.391   8.344   3.360
  491    HB2  GLN  76           HB2      GLN  76 101.241   9.614   1.631
  492    HB3  GLN  76           HB1      GLN  76 100.184  10.346   2.838
  493    HG2  GLN  76           HG2      GLN  76 102.046  11.488   3.874
  494    HG3  GLN  76           HG1      GLN  76 103.202  10.617   2.872
  495   HE21  GLN  76          HE21      GLN  76 103.948  11.870   1.165
  496   HE22  GLN  76          HE22      GLN  76 103.045  13.062   0.361
  497    H    ARG  77           HN       ARG  77 103.409   8.911   5.132
  498    HA   ARG  77           HA       ARG  77 101.980   9.289   7.601
  499    HB2  ARG  77           HB2      ARG  77 104.715   9.974   8.019
  500    HB3  ARG  77           HB1      ARG  77 103.933   8.446   8.407
  501    HG2  ARG  77           HG2      ARG  77 104.445   7.586   6.184
  502    HG3  ARG  77           HG1      ARG  77 105.126   9.142   5.720
  503    HD2  ARG  77           HD2      ARG  77 106.887   7.518   6.361
  504    HD3  ARG  77           HD1      ARG  77 106.869   8.928   7.417
  505    HE   ARG  77           HE       ARG  77 105.230   7.044   8.631
  506   HH11  ARG  77          HH11      ARG  77 106.043   5.663  10.243
  507   HH12  ARG  77          HH12      ARG  77 107.741   5.327  10.311
  508   HH21  ARG  77          HH21      ARG  77 108.514   7.320   7.581
  509   HH22  ARG  77          HH22      ARG  77 109.140   6.264   8.803
  510    HA   PRO  78           HA       PRO  78 101.656  13.651   7.873
  511    HB2  PRO  78           HB2      PRO  78 102.870  14.210  10.333
  512    HB3  PRO  78           HB1      PRO  78 101.203  13.639  10.135
  513    HG2  PRO  78           HG2      PRO  78 103.668  12.084  10.798
  514    HG3  PRO  78           HG1      PRO  78 102.024  11.927  11.451
  515    HD2  PRO  78           HD2      PRO  78 102.944  10.197   9.616
  516    HD3  PRO  78           HD1      PRO  78 101.254  10.744   9.581
  517    H    ASP  79           HN       ASP  79 104.746  12.134   8.210
  518    HA   ASP  79           HA       ASP  79 106.394  14.463   8.024
  519    HB2  ASP  79           HB2      ASP  79 107.137  12.185   8.843
  520    HB3  ASP  79           HB1      ASP  79 107.098  11.650   7.163
  521    H    GLY  80           HN       GLY  80 104.373  12.856   5.850
  522    HA2  GLY  80           HA2      GLY  80 103.863  13.523   3.665
  523    HA3  GLY  80           HA1      GLY  80 105.358  14.451   3.616
  524    H    ALA  81           HN       ALA  81 105.827  11.301   4.821
  525    HA   ALA  81           HA       ALA  81 107.165  10.528   2.319
  526    HB1  ALA  81           HB1      ALA  81 107.947   8.580   3.853
  527    HB2  ALA  81           HB2      ALA  81 107.315   9.574   5.167
  528    HB3  ALA  81           HB3      ALA  81 108.598  10.195   4.133
  529    H    LEU  82           HN       LEU  82 106.722   8.685   1.167
  530    HA   LEU  82           HA       LEU  82 104.027   7.550   1.520
  531    HB2  LEU  82           HB2      LEU  82 105.992   7.784  -0.737
  532    HB3  LEU  82           HB1      LEU  82 104.807   6.481  -0.798
  533    HG   LEU  82           HG       LEU  82 102.976   8.072  -0.636
  534   HD11  LEU  82          HD11      LEU  82 103.555  10.557  -0.740
  535   HD12  LEU  82          HD12      LEU  82 105.189  10.095  -0.255
  536   HD13  LEU  82          HD13      LEU  82 103.821   9.758   0.809
  537   HD21  LEU  82          HD21      LEU  82 105.076   8.458  -2.750
  538   HD22  LEU  82          HD22      LEU  82 103.725   9.589  -2.724
  539   HD23  LEU  82          HD23      LEU  82 103.423   7.863  -2.896
  540    H    TYR  83           HN       TYR  83 103.653   5.431   2.039
  541    HA   TYR  83           HA       TYR  83 105.731   3.436   1.806
  542    HB2  TYR  83           HB2      TYR  83 106.100   2.982   4.101
  543    HB3  TYR  83           HB1      TYR  83 106.241   4.733   3.953
  544    HD1  TYR  83           HD1      TYR  83 104.551   2.038   5.606
  545    HD2  TYR  83           HD2      TYR  83 104.101   6.137   4.406
  546    HE1  TYR  83           HE1      TYR  83 102.709   2.310   7.239
  547    HE2  TYR  83           HE2      TYR  83 102.262   6.413   6.051
  548    HH   TYR  83           HH       TYR  83 101.353   3.770   8.251
  549    H    GLY  84           HN       GLY  84 104.948   1.347   1.899
  550    HA2  GLY  84           HA2      GLY  84 102.097   1.011   1.632
  551    HA3  GLY  84           HA1      GLY  84 103.313  -0.266   1.575
  552    H    SER  85           HN       SER  85 100.701  -0.040   3.088
  553    HA   SER  85           HA       SER  85 101.788  -0.634   5.789
  554    HB2  SER  85           HB2      SER  85  99.863   0.428   6.788
  555    HB3  SER  85           HB1      SER  85 100.641   1.583   5.708
  556    HG   SER  85           HG       SER  85  98.457  -0.095   5.007
  557    H    LEU  86           HN       LEU  86 100.623  -2.161   7.013
  558    HA   LEU  86           HA       LEU  86  99.215  -4.157   5.386
  559    HB2  LEU  86           HB2      LEU  86 100.540  -4.166   8.086
  560    HB3  LEU  86           HB1      LEU  86  99.414  -5.448   7.655
  561    HG   LEU  86           HG       LEU  86 101.849  -5.949   7.177
  562   HD11  LEU  86          HD11      LEU  86  99.734  -6.882   5.893
  563   HD12  LEU  86          HD12      LEU  86 101.353  -7.208   5.288
  564   HD13  LEU  86          HD13      LEU  86 100.382  -5.940   4.550
  565   HD21  LEU  86          HD21      LEU  86 102.344  -3.589   6.403
  566   HD22  LEU  86          HD22      LEU  86 101.493  -3.975   4.907
  567   HD23  LEU  86          HD23      LEU  86 102.954  -4.858   5.341
  568    H    HIS  87           HN       HIS  87  98.366  -1.507   7.176
  569    HA   HIS  87           HA       HIS  87  95.687  -2.634   7.739
  570    HB2  HIS  87           HB2      HIS  87  97.027  -2.519   9.843
  571    HB3  HIS  87           HB1      HIS  87  97.204  -0.782   9.596
  572    HD2  HIS  87           HD2      HIS  87  95.115   0.679  10.675
  573    HE1  HIS  87           HE1      HIS  87  92.318  -2.463  11.037
  574    HE2  HIS  87           HE2      HIS  87  92.740  -0.004  11.513
  575    H    PHE  88           HN       PHE  88  94.008  -1.350   7.252
  576    HA   PHE  88           HA       PHE  88  94.495   0.928   5.589
  577    HB2  PHE  88           HB2      PHE  88  92.632  -0.512   5.066
  578    HB3  PHE  88           HB1      PHE  88  91.936  -0.271   6.669
  579    HD1  PHE  88           HD1      PHE  88  93.245   1.851   3.855
  580    HD2  PHE  88           HD2      PHE  88  90.166   1.259   6.794
  581    HE1  PHE  88           HE1      PHE  88  92.077   3.877   3.042
  582    HE2  PHE  88           HE2      PHE  88  88.997   3.284   5.975
  583    HZ   PHE  88           HZ       PHE  88  89.953   4.596   4.099
  584    H    ASP  89           HN       ASP  89  94.485   3.011   6.058
  585    HA   ASP  89           HA       ASP  89  93.370   3.967   8.610
  586    HB2  ASP  89           HB2      ASP  89  95.819   3.650   8.876
  587    HB3  ASP  89           HB1      ASP  89  96.084   4.745   7.526
  588    HA   PRO  90           HA       PRO  90  91.912   6.554   5.136
  589    HB2  PRO  90           HB2      PRO  90  89.909   7.902   6.495
  590    HB3  PRO  90           HB1      PRO  90  89.711   6.304   5.751
  591    HG2  PRO  90           HG2      PRO  90  90.154   7.020   8.604
  592    HG3  PRO  90           HG1      PRO  90  89.172   5.722   7.904
  593    HD2  PRO  90           HD2      PRO  90  91.653   5.320   9.021
  594    HD3  PRO  90           HD1      PRO  90  90.968   4.262   7.768
  595    H    GLU  91           HN       GLU  91  93.014   7.576   8.257
  596    HA   GLU  91           HA       GLU  91  93.067  10.384   7.787
  597    HB2  GLU  91           HB2      GLU  91  93.201   9.205  10.020
  598    HB3  GLU  91           HB1      GLU  91  94.871   8.813   9.631
  599    HG2  GLU  91           HG2      GLU  91  94.927  10.812  10.946
  600    HG3  GLU  91           HG1      GLU  91  95.249  11.308   9.290
  601    H    ALA  92           HN       ALA  92  94.985   7.803   6.580
  602    HA   ALA  92           HA       ALA  92  96.890   9.758   5.433
  603    HB1  ALA  92           HB1      ALA  92  97.594   7.176   6.834
  604    HB2  ALA  92           HB2      ALA  92  98.075   8.807   7.296
  605    HB3  ALA  92           HB3      ALA  92  98.713   8.082   5.822
  606    H    CYS  93           HN       CYS  93  95.220   6.693   5.209
  607    HA   CYS  93           HA       CYS  93  96.435   5.994   2.679
  608    HB2  CYS  93           HB2      CYS  93  94.047   4.710   3.995
  609    HB3  CYS  93           HB1      CYS  93  95.120   4.008   2.783
  610    H    SER  94           HN       SER  94  93.843   7.984   3.641
  611    HA   SER  94           HA       SER  94  92.308   7.635   1.194
  612    HB2  SER  94           HB2      SER  94  92.062   9.718   3.378
  613    HB3  SER  94           HB1      SER  94  90.918   9.452   2.071
  614    HG   SER  94           HG       SER  94  91.589   7.203   3.506
  615    H    PHE  95           HN       PHE  95  92.273   9.070  -0.523
  616    HA   PHE  95           HA       PHE  95  94.113  11.380  -0.456
  617    HB2  PHE  95           HB2      PHE  95  94.047   9.322  -2.673
  618    HB3  PHE  95           HB1      PHE  95  95.052  10.763  -2.610
  619    HD1  PHE  95           HD1      PHE  95  94.612   7.339  -1.432
  620    HD2  PHE  95           HD2      PHE  95  96.902  10.940  -0.945
  621    HE1  PHE  95           HE1      PHE  95  96.363   6.057  -0.254
  622    HE2  PHE  95           HE2      PHE  95  98.662   9.656   0.240
  623    HZ   PHE  95           HZ       PHE  95  98.400   7.213   0.580
  624    H    ARG  96           HN       ARG  96  93.536  13.044  -1.859
  625    HA   ARG  96           HA       ARG  96  90.782  12.934  -2.867
  626    HB2  ARG  96           HB2      ARG  96  91.627  14.865  -1.432
  627    HB3  ARG  96           HB1      ARG  96  92.651  15.318  -2.790
  628    HG2  ARG  96           HG2      ARG  96  90.744  16.641  -3.140
  629    HG3  ARG  96           HG1      ARG  96  90.432  15.254  -4.180
  630    HD2  ARG  96           HD2      ARG  96  88.995  14.251  -2.473
  631    HD3  ARG  96           HD1      ARG  96  89.391  15.537  -1.343
  632    HE   ARG  96           HE       ARG  96  88.326  16.775  -3.589
  633   HH11  ARG  96          HH11      ARG  96  86.105  17.291  -3.683
  634   HH12  ARG  96          HH12      ARG  96  84.979  16.427  -2.688
  635   HH21  ARG  96          HH21      ARG  96  87.394  14.413  -1.237
  636   HH22  ARG  96          HH22      ARG  96  85.708  14.803  -1.305
  637    H    GLU  97           HN       GLU  97  90.318  12.849  -5.009
  638    HA   GLU  97           HA       GLU  97  92.565  12.521  -6.859
  639    HB2  GLU  97           HB2      GLU  97  90.616  10.931  -6.788
  640    HB3  GLU  97           HB1      GLU  97  89.607  12.234  -7.414
  641    HG2  GLU  97           HG2      GLU  97  91.075  12.420  -9.388
  642    HG3  GLU  97           HG1      GLU  97  92.069  11.101  -8.769
  643    H    LEU  98           HN       LEU  98  93.379  14.425  -7.526
  644    HA   LEU  98           HA       LEU  98  91.629  16.678  -8.194
  645    HB2  LEU  98           HB2      LEU  98  94.637  16.467  -8.471
  646    HB3  LEU  98           HB1      LEU  98  93.666  17.939  -8.423
  647    HG   LEU  98           HG       LEU  98  94.027  15.956  -6.157
  648   HD11  LEU  98          HD11      LEU  98  95.020  18.068  -5.076
  649   HD12  LEU  98          HD12      LEU  98  95.085  18.732  -6.709
  650   HD13  LEU  98          HD13      LEU  98  95.994  17.274  -6.313
  651   HD21  LEU  98          HD21      LEU  98  91.837  16.781  -5.874
  652   HD22  LEU  98          HD22      LEU  98  92.255  18.376  -6.501
  653   HD23  LEU  98          HD23      LEU  98  92.806  17.884  -4.900
  654    H    LEU  99           HN       LEU  99  91.127  17.284 -10.268
  655    HA   LEU  99           HA       LEU  99  92.421  15.796 -12.489
  656    HB2  LEU  99           HB2      LEU  99  89.598  16.030 -11.745
  657    HB3  LEU  99           HB1      LEU  99  89.867  16.541 -13.406
  658    HG   LEU  99           HG       LEU  99  89.363  14.095 -13.173
  659   HD11  LEU  99          HD11      LEU  99  91.013  15.253 -14.945
  660   HD12  LEU  99          HD12      LEU  99  90.752  13.512 -14.915
  661   HD13  LEU  99          HD13      LEU  99  92.187  14.197 -14.159
  662   HD21  LEU  99          HD21      LEU  99  90.610  12.657 -11.891
  663   HD22  LEU  99          HD22      LEU  99  90.912  14.119 -10.960
  664   HD23  LEU  99          HD23      LEU  99  92.108  13.553 -12.126
  665    H    LEU 100           HN       LEU 100  92.948  16.861 -14.302
  666    HA   LEU 100           HA       LEU 100  92.783  19.820 -14.207
  667    HB2  LEU 100           HB2      LEU 100  94.801  17.943 -15.466
  668    HB3  LEU 100           HB1      LEU 100  94.742  19.669 -15.817
  669    HG   LEU 100           HG       LEU 100  94.830  19.941 -13.206
  670   HD11  LEU 100          HD11      LEU 100  94.565  17.623 -12.569
  671   HD12  LEU 100          HD12      LEU 100  96.201  18.123 -12.154
  672   HD13  LEU 100          HD13      LEU 100  95.919  17.143 -13.591
  673   HD21  LEU 100          HD21      LEU 100  97.356  19.769 -13.300
  674   HD22  LEU 100          HD22      LEU 100  96.627  20.742 -14.577
  675   HD23  LEU 100          HD23      LEU 100  97.173  19.102 -14.921
  676    H    GLU 101           HN       GLU 101  92.212  20.953 -16.066
  677    HA   GLU 101           HA       GLU 101  90.271  19.782 -17.743
  678    HB2  GLU 101           HB2      GLU 101  90.551  21.854 -19.113
  679    HB3  GLU 101           HB1      GLU 101  90.325  22.187 -17.395
  680    HG2  GLU 101           HG2      GLU 101  92.796  22.367 -17.137
  681    HG3  GLU 101           HG1      GLU 101  92.970  22.130 -18.876
  682    H    ASP 102           HN       ASP 102  93.680  19.819 -17.795
  683    HA   ASP 102           HA       ASP 102  94.032  19.295 -20.599
  684    HB2  ASP 102           HB2      ASP 102  95.878  19.064 -18.218
  685    HB3  ASP 102           HB1      ASP 102  96.375  18.759 -19.878
  686    H    GLY 103           HN       GLY 103  92.869  17.441 -18.054
  687    HA2  GLY 103           HA2      GLY 103  92.157  15.221 -18.185
  688    HA3  GLY 103           HA1      GLY 103  93.147  15.002 -19.621
  689    H    TYR 104           HN       TYR 104  94.610  16.425 -16.789
  690    HA   TYR 104           HA       TYR 104  96.147  13.913 -16.377
  691    HB2  TYR 104           HB2      TYR 104  96.812  16.813 -15.844
  692    HB3  TYR 104           HB1      TYR 104  97.759  15.481 -15.182
  693    HD1  TYR 104           HD1      TYR 104  96.336  16.697 -18.430
  694    HD2  TYR 104           HD2      TYR 104  99.505  14.567 -16.464
  695    HE1  TYR 104           HE1      TYR 104  97.528  16.479 -20.593
  696    HE2  TYR 104           HE2      TYR 104 100.702  14.353 -18.627
  697    HH   TYR 104           HH       TYR 104  99.249  14.893 -21.587
  698    H    ASN 105           HN       ASN 105  96.534  13.213 -14.200
  699    HA   ASN 105           HA       ASN 105  94.634  14.327 -12.209
  700    HB2  ASN 105           HB2      ASN 105  95.234  11.386 -12.438
  701    HB3  ASN 105           HB1      ASN 105  93.925  12.181 -11.562
  702   HD21  ASN 105          HD21      ASN 105  92.099  11.367 -12.643
  703   HD22  ASN 105          HD22      ASN 105  91.835  11.550 -14.310
  704    H    VAL 106           HN       VAL 106  95.338  14.569 -10.201
  705    HA   VAL 106           HA       VAL 106  97.959  13.437  -9.422
  706    HB   VAL 106           HB       VAL 106  97.093  16.211  -8.597
  707   HG11  VAL 106          HG11      VAL 106  98.959  14.871  -7.448
  708   HG12  VAL 106          HG12      VAL 106  99.392  16.478  -8.025
  709   HG13  VAL 106          HG13      VAL 106  99.867  15.052  -8.949
  710   HG21  VAL 106          HG21      VAL 106  97.135  16.205 -11.058
  711   HG22  VAL 106          HG22      VAL 106  98.722  15.435 -11.043
  712   HG23  VAL 106          HG23      VAL 106  98.534  17.079 -10.433
  713    H    TYR 107           HN       TYR 107  98.187  13.207  -7.089
  714    HA   TYR 107           HA       TYR 107  95.568  13.024  -5.690
  715    HB2  TYR 107           HB2      TYR 107  97.990  11.231  -5.463
  716    HB3  TYR 107           HB1      TYR 107  96.544  11.112  -4.459
  717    HD1  TYR 107           HD1      TYR 107  97.878  10.771  -7.891
  718    HD2  TYR 107           HD2      TYR 107  94.465  10.242  -5.340
  719    HE1  TYR 107           HE1      TYR 107  96.760   9.448  -9.665
  720    HE2  TYR 107           HE2      TYR 107  93.345   8.916  -7.113
  721    HH   TYR 107           HH       TYR 107  93.461   8.181  -9.211
  722    H    GLN 108           HN       GLN 108  95.442  13.565  -3.565
  723    HA   GLN 108           HA       GLN 108  97.798  14.599  -2.157
  724    HB2  GLN 108           HB2      GLN 108  96.943  16.553  -3.351
  725    HB3  GLN 108           HB1      GLN 108  95.317  16.242  -2.747
  726    HG2  GLN 108           HG2      GLN 108  96.070  16.624  -0.445
  727    HG3  GLN 108           HG1      GLN 108  97.726  16.848  -1.006
  728   HE21  GLN 108          HE21      GLN 108  95.775  18.795   0.335
  729   HE22  GLN 108          HE22      GLN 108  95.750  20.136  -0.704
  730    H    SER 109           HN       SER 109  97.663  14.177   0.017
  731    HA   SER 109           HA       SER 109  95.641  12.461   0.994
  732    HB2  SER 109           HB2      SER 109  97.993  12.742   1.924
  733    HB3  SER 109           HB1      SER 109  97.412  14.213   2.700
  734    HG   SER 109           HG       SER 109  96.636  11.535   3.116
  735    H    GLU 110           HN       GLU 110  93.615  12.933   1.527
  736    HA   GLU 110           HA       GLU 110  92.641  15.605   1.671
  737    HB2  GLU 110           HB2      GLU 110  90.501  14.544   2.222
  738    HB3  GLU 110           HB1      GLU 110  91.277  13.724   0.872
  739    HG2  GLU 110           HG2      GLU 110  90.714  11.876   2.156
  740    HG3  GLU 110           HG1      GLU 110  92.307  12.212   2.825
  741    H    ALA 111           HN       ALA 111  93.658  13.247   4.044
  742    HA   ALA 111           HA       ALA 111  92.448  14.307   6.335
  743    HB1  ALA 111           HB1      ALA 111  93.600  12.080   6.095
  744    HB2  ALA 111           HB2      ALA 111  93.977  12.960   7.578
  745    HB3  ALA 111           HB3      ALA 111  95.130  12.946   6.241
  746    H    HIS 112           HN       HIS 112  95.790  14.887   5.176
  747    HA   HIS 112           HA       HIS 112  95.904  17.258   6.963
  748    HB2  HIS 112           HB2      HIS 112  97.934  15.212   6.130
  749    HB3  HIS 112           HB1      HIS 112  98.475  16.826   6.573
  750    HD2  HIS 112           HD2      HIS 112  99.570  15.508   8.966
  751    HE1  HIS 112           HE1      HIS 112  95.784  15.163  10.802
  752    HE2  HIS 112           HE2      HIS 112  98.290  15.022  11.189
  753    H    GLY 113           HN       GLY 113  95.779  16.335   3.697
  754    HA2  GLY 113           HA2      GLY 113  95.749  17.764   1.840
  755    HA3  GLY 113           HA1      GLY 113  96.295  19.072   2.875
  756    H    LEU 114           HN       LEU 114  98.085  16.126   3.055
  757    HA   LEU 114           HA       LEU 114 100.459  17.427   2.116
  758    HB2  LEU 114           HB2      LEU 114  99.910  14.546   2.843
  759    HB3  LEU 114           HB1      LEU 114 101.508  15.177   2.457
  760    HG   LEU 114           HG       LEU 114  99.912  16.607   4.571
  761   HD11  LEU 114          HD11      LEU 114 100.644  15.087   6.311
  762   HD12  LEU 114          HD12      LEU 114 101.504  14.090   5.140
  763   HD13  LEU 114          HD13      LEU 114  99.744  14.157   5.116
  764   HD21  LEU 114          HD21      LEU 114 102.850  15.877   4.571
  765   HD22  LEU 114          HD22      LEU 114 102.050  17.224   5.383
  766   HD23  LEU 114          HD23      LEU 114 102.250  17.246   3.632
  767    HA   PRO 115           HA       PRO 115  99.867  16.196  -2.159
  768    HB2  PRO 115           HB2      PRO 115 102.305  16.792  -3.180
  769    HB3  PRO 115           HB1      PRO 115 101.181  18.064  -2.649
  770    HG2  PRO 115           HG2      PRO 115 103.516  16.884  -1.193
  771    HG3  PRO 115           HG1      PRO 115 103.061  18.588  -1.385
  772    HD2  PRO 115           HD2      PRO 115 102.461  17.164   0.872
  773    HD3  PRO 115           HD1      PRO 115 101.430  18.483   0.273
  774    H    LEU 116           HN       LEU 116 100.459  14.487  -3.616
  775    HA   LEU 116           HA       LEU 116 102.070  12.337  -2.354
  776    HB2  LEU 116           HB2      LEU 116  99.586  11.965  -2.890
  777    HB3  LEU 116           HB1      LEU 116 100.054  12.000  -4.584
  778    HG   LEU 116           HG       LEU 116 101.474  10.163  -2.644
  779   HD11  LEU 116          HD11      LEU 116  99.064   9.725  -2.401
  780   HD12  LEU 116          HD12      LEU 116  99.885   8.387  -3.205
  781   HD13  LEU 116          HD13      LEU 116  98.925   9.527  -4.150
  782   HD21  LEU 116          HD21      LEU 116 102.580  10.204  -4.741
  783   HD22  LEU 116          HD22      LEU 116 101.068  10.262  -5.644
  784   HD23  LEU 116          HD23      LEU 116 101.555   8.777  -4.837
  785    H    HIS 117           HN       HIS 117 103.999  12.008  -3.214
  786    HA   HIS 117           HA       HIS 117 104.396  12.090  -6.099
  787    HB2  HIS 117           HB2      HIS 117 106.377  13.626  -5.851
  788    HB3  HIS 117           HB1      HIS 117 104.818  14.408  -5.588
  789    HD2  HIS 117           HD2      HIS 117 104.287  15.121  -2.862
  790    HE1  HIS 117           HE1      HIS 117 108.160  14.218  -1.448
  791    HE2  HIS 117           HE2      HIS 117 105.949  15.318  -0.858
  792    H    LEU 118           HN       LEU 118 106.623  11.319  -6.676
  793    HA   LEU 118           HA       LEU 118 107.260   9.009  -5.133
  794    HB2  LEU 118           HB2      LEU 118 108.713  10.331  -7.440
  795    HB3  LEU 118           HB1      LEU 118 109.178   8.782  -6.749
  796    HG   LEU 118           HG       LEU 118 106.470   9.401  -7.966
  797   HD11  LEU 118          HD11      LEU 118 107.190   8.001  -9.823
  798   HD12  LEU 118          HD12      LEU 118 108.728   7.670  -9.021
  799   HD13  LEU 118          HD13      LEU 118 108.366   9.298  -9.599
  800   HD21  LEU 118          HD21      LEU 118 106.571   6.711  -7.876
  801   HD22  LEU 118          HD22      LEU 118 105.956   7.659  -6.528
  802   HD23  LEU 118          HD23      LEU 118 107.610   7.047  -6.491
  803    HA   PRO 119           HA       PRO 119 110.182  10.826  -2.338
  804    HB2  PRO 119           HB2      PRO 119 111.729   8.691  -1.684
  805    HB3  PRO 119           HB1      PRO 119 110.030   8.816  -1.178
  806    HG2  PRO 119           HG2      PRO 119 111.198   7.323  -3.498
  807    HG3  PRO 119           HG1      PRO 119 110.017   6.772  -2.292
  808    HD2  PRO 119           HD2      PRO 119 109.251   7.636  -4.751
  809    HD3  PRO 119           HD1      PRO 119 108.247   7.908  -3.311
  810    H    GLY 120           HN       GLY 120 112.206  11.785  -2.329
  811    HA2  GLY 120           HA2      GLY 120 113.823  11.461  -4.780
  812    HA3  GLY 120           HA1      GLY 120 113.825  12.861  -3.714
  813    H    ASN 121           HN       ASN 121 113.919   9.655  -2.345
  814    HA   ASN 121           HA       ASN 121 116.247  10.188  -0.849
  815    HB2  ASN 121           HB2      ASN 121 115.151   7.465  -1.591
  816    HB3  ASN 121           HB1      ASN 121 116.173   7.857  -0.211
  817   HD21  ASN 121          HD21      ASN 121 114.100  10.454  -0.593
  818   HD22  ASN 121          HD22      ASN 121 112.876   9.975   0.482
  819    H    LYS 122           HN       LYS 122 115.779   8.151  -3.749
  820    HA   LYS 122           HA       LYS 122 118.629   7.713  -4.014
  821    HB2  LYS 122           HB2      LYS 122 116.279   6.940  -5.750
  822    HB3  LYS 122           HB1      LYS 122 117.955   6.559  -6.151
  823    HG2  LYS 122           HG2      LYS 122 118.202   5.378  -3.992
  824    HG3  LYS 122           HG1      LYS 122 116.521   5.741  -3.607
  825    HD2  LYS 122           HD2      LYS 122 115.780   4.463  -5.576
  826    HD3  LYS 122           HD1      LYS 122 117.460   4.118  -5.990
  827    HE2  LYS 122           HE2      LYS 122 116.164   3.336  -3.365
  828    HE3  LYS 122           HE1      LYS 122 116.346   2.248  -4.741
  829    HZ1  LYS 122           HZ1      LYS 122 118.407   1.834  -4.094
  830    HZ2  LYS 122           HZ2      LYS 122 118.236   2.895  -2.777
  831    HZ3  LYS 122           HZ3      LYS 122 118.812   3.471  -4.268
  832    H    SER 123           HN       SER 123 116.163   9.694  -5.620
  833    HA   SER 123           HA       SER 123 118.096  10.709  -7.536
  834    HB2  SER 123           HB2      SER 123 116.279  11.586  -8.663
  835    HB3  SER 123           HB1      SER 123 115.449  10.341  -7.736
  836    HG   SER 123           HG       SER 123 115.270  12.084  -6.079
  837    HA   PRO 124           HA       PRO 124 119.365  14.337  -5.378
  838    HB2  PRO 124           HB2      PRO 124 118.336  16.230  -7.428
  839    HB3  PRO 124           HB1      PRO 124 120.006  15.932  -6.912
  840    HG2  PRO 124           HG2      PRO 124 119.079  15.115  -9.302
  841    HG3  PRO 124           HG1      PRO 124 120.300  14.203  -8.397
  842    HD2  PRO 124           HD2      PRO 124 117.368  13.640  -8.701
  843    HD3  PRO 124           HD1      PRO 124 118.737  12.511  -8.638
  844    H    HIS 125           HN       HIS 125 118.582  15.763  -3.827
  845    HA   HIS 125           HA       HIS 125 115.787  15.685  -3.266
  846    HB2  HIS 125           HB2      HIS 125 117.962  17.427  -2.075
  847    HB3  HIS 125           HB1      HIS 125 116.344  17.210  -1.407
  848    HD2  HIS 125           HD2      HIS 125 119.763  15.434  -1.345
  849    HE1  HIS 125           HE1      HIS 125 116.977  12.722   0.298
  850    HE2  HIS 125           HE2      HIS 125 119.447  13.174  -0.077
  851    H    ARG 126           HN       ARG 126 114.224  16.938  -4.021
  852    HA   ARG 126           HA       ARG 126 114.904  19.603  -5.151
  853    HB2  ARG 126           HB2      ARG 126 114.390  17.892  -6.900
  854    HB3  ARG 126           HB1      ARG 126 112.805  17.666  -6.164
  855    HG2  ARG 126           HG2      ARG 126 112.303  20.061  -6.539
  856    HG3  ARG 126           HG1      ARG 126 113.874  20.260  -7.311
  857    HD2  ARG 126           HD2      ARG 126 113.256  18.579  -9.006
  858    HD3  ARG 126           HD1      ARG 126 111.683  18.383  -8.240
  859    HE   ARG 126           HE       ARG 126 112.187  21.117  -8.939
  860   HH11  ARG 126          HH11      ARG 126 110.988  21.952 -10.682
  861   HH12  ARG 126          HH12      ARG 126 110.199  20.871 -11.779
  862   HH21  ARG 126          HH21      ARG 126 111.283  18.007 -10.157
  863   HH22  ARG 126          HH22      ARG 126 110.363  18.638 -11.482
  864    H    ASP 127           HN       ASP 127 113.947  21.176  -4.058
  865    HA   ASP 127           HA       ASP 127 111.333  20.677  -2.736
  866    HB2  ASP 127           HB2      ASP 127 113.261  20.761  -1.143
  867    HB3  ASP 127           HB1      ASP 127 113.573  22.410  -1.683
  868    HA   PRO 128           HA       PRO 128 110.960  24.433  -5.388
  869    HB2  PRO 128           HB2      PRO 128 108.532  23.932  -6.466
  870    HB3  PRO 128           HB1      PRO 128 110.000  23.127  -7.062
  871    HG2  PRO 128           HG2      PRO 128 107.882  22.084  -5.233
  872    HG3  PRO 128           HG1      PRO 128 108.728  21.265  -6.559
  873    HD2  PRO 128           HD2      PRO 128 109.390  20.983  -3.874
  874    HD3  PRO 128           HD1      PRO 128 110.518  20.678  -5.211
  875    H    ALA 129           HN       ALA 129 109.804  26.348  -4.990
  876    HA   ALA 129           HA       ALA 129 108.575  26.558  -2.414
  877    HB1  ALA 129           HB1      ALA 129 109.445  28.391  -4.548
  878    HB2  ALA 129           HB2      ALA 129 109.497  28.608  -2.802
  879    HB3  ALA 129           HB3      ALA 129 108.013  28.954  -3.687
  880    HA   PRO 130           HA       PRO 130 104.476  27.364  -4.774
  881    HB2  PRO 130           HB2      PRO 130 104.414  26.951  -7.489
  882    HB3  PRO 130           HB1      PRO 130 104.838  28.515  -6.761
  883    HG2  PRO 130           HG2      PRO 130 106.649  26.352  -7.770
  884    HG3  PRO 130           HG1      PRO 130 106.725  28.104  -8.057
  885    HD2  PRO 130           HD2      PRO 130 108.300  26.936  -6.212
  886    HD3  PRO 130           HD1      PRO 130 107.607  28.549  -5.938
  887    H    ARG 131           HN       ARG 131 102.823  25.800  -5.059
  888    HA   ARG 131           HA       ARG 131 103.494  23.133  -4.527
  889    HB2  ARG 131           HB2      ARG 131 101.223  24.464  -4.288
  890    HB3  ARG 131           HB1      ARG 131 100.908  23.825  -5.893
  891    HG2  ARG 131           HG2      ARG 131  99.995  22.156  -4.528
  892    HG3  ARG 131           HG1      ARG 131 101.602  21.520  -4.864
  893    HD2  ARG 131           HD2      ARG 131 101.136  23.220  -2.411
  894    HD3  ARG 131           HD1      ARG 131 100.721  21.514  -2.400
  895    HE   ARG 131           HE       ARG 131 103.325  21.712  -3.387
  896   HH11  ARG 131          HH11      ARG 131 105.080  21.336  -1.996
  897   HH12  ARG 131          HH12      ARG 131 104.881  21.533  -0.287
  898   HH21  ARG 131          HH21      ARG 131 101.543  22.436  -0.509
  899   HH22  ARG 131          HH22      ARG 131 102.881  22.154   0.553
  900    H    GLY 132           HN       GLY 132 104.651  21.875  -5.862
  901    HA2  GLY 132           HA2      GLY 132 103.804  21.663  -8.698
  902    HA3  GLY 132           HA1      GLY 132 105.503  21.839  -8.276
  903    HA   PRO 133           HA       PRO 133 104.284  17.468  -6.810
  904    HB2  PRO 133           HB2      PRO 133 101.787  16.533  -7.230
  905    HB3  PRO 133           HB1      PRO 133 102.157  17.609  -5.867
  906    HG2  PRO 133           HG2      PRO 133 100.853  18.242  -8.475
  907    HG3  PRO 133           HG1      PRO 133 100.488  18.859  -6.854
  908    HD2  PRO 133           HD2      PRO 133 102.011  20.211  -8.778
  909    HD3  PRO 133           HD1      PRO 133 102.042  20.560  -7.035
  910    H    ALA 134           HN       ALA 134 104.306  15.371  -7.913
  911    HA   ALA 134           HA       ALA 134 104.937  15.574 -10.698
  912    HB1  ALA 134           HB1      ALA 134 105.340  13.193 -10.588
  913    HB2  ALA 134           HB2      ALA 134 104.438  13.065  -9.078
  914    HB3  ALA 134           HB3      ALA 134 105.978  13.925  -9.115
  915    H    ARG 135           HN       ARG 135 103.661  15.243 -12.431
  916    HA   ARG 135           HA       ARG 135 100.813  14.950 -12.042
  917    HB2  ARG 135           HB2      ARG 135 102.475  15.039 -14.578
  918    HB3  ARG 135           HB1      ARG 135 100.715  15.167 -14.495
  919    HG2  ARG 135           HG2      ARG 135 100.906  17.186 -13.112
  920    HG3  ARG 135           HG1      ARG 135 102.663  17.052 -13.138
  921    HD2  ARG 135           HD2      ARG 135 102.118  18.657 -14.810
  922    HD3  ARG 135           HD1      ARG 135 102.502  17.175 -15.681
  923    HE   ARG 135           HE       ARG 135  99.726  17.245 -15.162
  924   HH11  ARG 135          HH11      ARG 135  98.328  17.798 -16.857
  925   HH12  ARG 135          HH12      ARG 135  98.930  18.687 -18.216
  926   HH21  ARG 135          HH21      ARG 135 102.180  18.838 -17.014
  927   HH22  ARG 135          HH22      ARG 135 101.111  19.282 -18.302
  928    H    PHE 136           HN       PHE 136  99.662  13.134 -12.145
  929    HA   PHE 136           HA       PHE 136 101.029  10.646 -13.013
  930    HB2  PHE 136           HB2      PHE 136  99.206  11.304 -10.741
  931    HB3  PHE 136           HB1      PHE 136  98.975   9.727 -11.494
  932    HD1  PHE 136           HD1      PHE 136 101.016  11.668  -9.222
  933    HD2  PHE 136           HD2      PHE 136 101.012   8.227 -11.798
  934    HE1  PHE 136           HE1      PHE 136 102.986  10.755  -8.019
  935    HE2  PHE 136           HE2      PHE 136 102.976   7.322 -10.596
  936    HZ   PHE 136           HZ       PHE 136 103.966   8.583  -8.711
  937    H    LEU 137           HN       LEU 137 100.006   9.263 -14.370
  938    HA   LEU 137           HA       LEU 137  97.438  10.148 -15.558
  939    HB2  LEU 137           HB2      LEU 137 100.033   9.410 -16.789
  940    HB3  LEU 137           HB1      LEU 137  98.620   8.709 -17.572
  941    HG   LEU 137           HG       LEU 137  98.627  11.650 -16.890
  942   HD11  LEU 137          HD11      LEU 137  99.597  12.138 -19.107
  943   HD12  LEU 137          HD12      LEU 137  99.874  10.416 -19.365
  944   HD13  LEU 137          HD13      LEU 137 100.745  11.267 -18.090
  945   HD21  LEU 137          HD21      LEU 137  97.431  10.058 -19.186
  946   HD22  LEU 137          HD22      LEU 137  97.117  11.754 -18.815
  947   HD23  LEU 137          HD23      LEU 137  96.567  10.492 -17.711
  948    HA   PRO 138           HA       PRO 138  96.552   5.950 -14.077
  949    HB2  PRO 138           HB2      PRO 138  93.854   5.990 -14.334
  950    HB3  PRO 138           HB1      PRO 138  94.689   6.877 -13.046
  951    HG2  PRO 138           HG2      PRO 138  93.554   7.883 -15.616
  952    HG3  PRO 138           HG1      PRO 138  93.522   8.622 -14.004
  953    HD2  PRO 138           HD2      PRO 138  95.311   9.336 -16.004
  954    HD3  PRO 138           HD1      PRO 138  95.604   9.583 -14.268
  955    H    LEU 139           HN       LEU 139  97.084   4.298 -15.401
  956    HA   LEU 139           HA       LEU 139  95.991   4.175 -18.133
  957    HB2  LEU 139           HB2      LEU 139  97.916   2.097 -17.200
  958    HB3  LEU 139           HB1      LEU 139  97.843   2.954 -18.732
  959    HG   LEU 139           HG       LEU 139  98.823   4.137 -16.113
  960   HD11  LEU 139          HD11      LEU 139 101.024   4.123 -17.302
  961   HD12  LEU 139          HD12      LEU 139 100.274   3.208 -18.609
  962   HD13  LEU 139          HD13      LEU 139 100.400   2.500 -16.998
  963   HD21  LEU 139          HD21      LEU 139  98.825   5.234 -18.941
  964   HD22  LEU 139          HD22      LEU 139  99.526   6.023 -17.530
  965   HD23  LEU 139          HD23      LEU 139  97.784   5.796 -17.637
  966    HA   PRO 140           HA       PRO 140  92.878   1.385 -16.253
  967    HB2  PRO 140           HB2      PRO 140  92.422   0.740 -19.145
  968    HB3  PRO 140           HB1      PRO 140  91.244   1.150 -17.883
  969    HG2  PRO 140           HG2      PRO 140  91.970   2.910 -19.773
  970    HG3  PRO 140           HG1      PRO 140  91.578   3.413 -18.119
  971    HD2  PRO 140           HD2      PRO 140  94.247   3.260 -19.449
  972    HD3  PRO 140           HD1      PRO 140  93.701   4.310 -18.124
  973    H    GLY 141           HN       GLY 141  93.080  -0.709 -15.635
  974    HA2  GLY 141           HA2      GLY 141  95.213  -2.335 -16.836
  975    HA3  GLY 141           HA1      GLY 141  94.413  -2.627 -15.294
  Start of MODEL    7
    1    H1   GLY  13           HT1      GLY  13  79.291   0.415  -3.142
    2    H2   GLY  13           HT2      GLY  13  79.110   0.164  -4.811
    3    H3   GLY  13           HT3      GLY  13  79.962   1.518  -4.244
    4    HA2  GLY  13           HA2      GLY  13  81.683   0.101  -3.328
    5    HA3  GLY  13           HA1      GLY  13  80.792  -1.312  -3.896
    6    H    GLN  14           HN       GLN  14  82.296   1.707  -5.022
    7    HA   GLN  14           HA       GLN  14  82.548   0.606  -7.743
    8    HB2  GLN  14           HB2      GLN  14  81.656   2.888  -7.486
    9    HB3  GLN  14           HB1      GLN  14  83.139   3.372  -6.668
   10    HG2  GLN  14           HG2      GLN  14  84.440   2.817  -8.696
   11    HG3  GLN  14           HG1      GLN  14  82.954   2.331  -9.512
   12   HE21  GLN  14          HE21      GLN  14  82.011   3.964 -10.743
   13   HE22  GLN  14          HE22      GLN  14  82.223   5.627 -10.481
   14    H    VAL  15           HN       VAL  15  84.280  -0.656  -7.995
   15    HA   VAL  15           HA       VAL  15  86.904   0.395  -7.147
   16    HB   VAL  15           HB       VAL  15  86.395  -1.164  -5.439
   17   HG11  VAL  15          HG11      VAL  15  85.670  -3.495  -5.981
   18   HG12  VAL  15          HG12      VAL  15  85.557  -3.026  -7.677
   19   HG13  VAL  15          HG13      VAL  15  84.498  -2.275  -6.483
   20   HG21  VAL  15          HG21      VAL  15  88.659  -1.383  -6.635
   21   HG22  VAL  15          HG22      VAL  15  87.986  -2.807  -7.424
   22   HG23  VAL  15          HG23      VAL  15  88.151  -2.766  -5.669
   23    H    ARG  16           HN       ARG  16  88.454   0.198  -8.592
   24    HA   ARG  16           HA       ARG  16  88.230  -1.718 -10.805
   25    HB2  ARG  16           HB2      ARG  16  88.424   1.278 -11.197
   26    HB3  ARG  16           HB1      ARG  16  88.781   0.099 -12.457
   27    HG2  ARG  16           HG2      ARG  16  86.497  -0.817 -12.250
   28    HG3  ARG  16           HG1      ARG  16  86.141   0.361 -10.987
   29    HD2  ARG  16           HD2      ARG  16  85.280   1.187 -13.109
   30    HD3  ARG  16           HD1      ARG  16  86.629   2.195 -12.594
   31    HE   ARG  16           HE       ARG  16  87.568   0.102 -14.272
   32   HH11  ARG  16          HH11      ARG  16  88.164   0.657 -16.393
   33   HH12  ARG  16          HH12      ARG  16  87.571   2.125 -17.097
   34   HH21  ARG  16          HH21      ARG  16  85.758   3.049 -14.288
   35   HH22  ARG  16          HH22      ARG  16  86.203   3.477 -15.907
   36    H    GLN  17           HN       GLN  17  90.235  -1.990 -11.974
   37    HA   GLN  17           HA       GLN  17  92.583  -1.362 -10.292
   38    HB2  GLN  17           HB2      GLN  17  92.858  -3.348 -12.488
   39    HB3  GLN  17           HB1      GLN  17  93.436  -3.422 -10.828
   40    HG2  GLN  17           HG2      GLN  17  91.169  -3.958 -10.050
   41    HG3  GLN  17           HG1      GLN  17  90.566  -3.849 -11.704
   42   HE21  GLN  17          HE21      GLN  17  91.983  -5.283 -13.307
   43   HE22  GLN  17          HE22      GLN  17  92.320  -6.852 -12.743
   44    H    ARG  18           HN       ARG  18  94.185  -0.074 -11.034
   45    HA   ARG  18           HA       ARG  18  94.447   0.443 -13.916
   46    HB2  ARG  18           HB2      ARG  18  93.997   2.667 -11.906
   47    HB3  ARG  18           HB1      ARG  18  94.345   2.873 -13.618
   48    HG2  ARG  18           HG2      ARG  18  92.254   1.647 -14.170
   49    HG3  ARG  18           HG1      ARG  18  91.894   1.532 -12.449
   50    HD2  ARG  18           HD2      ARG  18  92.068   4.069 -12.368
   51    HD3  ARG  18           HD1      ARG  18  92.064   4.032 -14.129
   52    HE   ARG  18           HE       ARG  18  89.885   2.550 -12.955
   53   HH11  ARG  18          HH11      ARG  18  87.813   3.418 -13.231
   54   HH12  ARG  18          HH12      ARG  18  87.627   5.047 -13.786
   55   HH21  ARG  18          HH21      ARG  18  91.037   5.639 -14.013
   56   HH22  ARG  18          HH22      ARG  18  89.453   6.306 -14.226
   57    H    TYR  19           HN       TYR  19  96.421   1.647 -14.448
   58    HA   TYR  19           HA       TYR  19  98.611   1.132 -12.517
   59    HB2  TYR  19           HB2      TYR  19  98.638   1.716 -15.493
   60    HB3  TYR  19           HB1      TYR  19 100.086   1.579 -14.507
   61    HD1  TYR  19           HD1      TYR  19  97.149  -0.279 -15.812
   62    HD2  TYR  19           HD2      TYR  19 100.942  -0.550 -13.806
   63    HE1  TYR  19           HE1      TYR  19  97.158  -2.744 -16.141
   64    HE2  TYR  19           HE2      TYR  19 100.933  -3.009 -14.126
   65    HH   TYR  19           HH       TYR  19  98.691  -4.577 -16.216
   66    H    LEU  20           HN       LEU  20  99.885   2.818 -11.735
   67    HA   LEU  20           HA       LEU  20  98.949   5.546 -12.379
   68    HB2  LEU  20           HB2      LEU  20  99.737   4.243  -9.933
   69    HB3  LEU  20           HB1      LEU  20 100.869   5.557 -10.224
   70    HG   LEU  20           HG       LEU  20  98.878   7.075 -10.587
   71   HD11  LEU  20          HD11      LEU  20  96.749   6.148  -9.424
   72   HD12  LEU  20          HD12      LEU  20  97.448   4.560  -9.734
   73   HD13  LEU  20          HD13      LEU  20  97.077   5.637 -11.077
   74   HD21  LEU  20          HD21      LEU  20  98.974   5.718  -7.875
   75   HD22  LEU  20          HD22      LEU  20  98.478   7.377  -8.209
   76   HD23  LEU  20          HD23      LEU  20 100.161   6.897  -8.434
   77    H    TYR  21           HN       TYR  21 100.039   6.744 -13.692
   78    HA   TYR  21           HA       TYR  21 102.974   6.484 -13.892
   79    HB2  TYR  21           HB2      TYR  21 102.323   5.265 -15.798
   80    HB3  TYR  21           HB1      TYR  21 100.946   6.313 -16.116
   81    HD1  TYR  21           HD1      TYR  21 104.687   6.508 -15.814
   82    HD2  TYR  21           HD2      TYR  21 101.155   7.919 -17.811
   83    HE1  TYR  21           HE1      TYR  21 106.085   7.897 -17.319
   84    HE2  TYR  21           HE2      TYR  21 102.552   9.297 -19.315
   85    HH   TYR  21           HH       TYR  21 105.959   8.944 -19.503
   86    H    THR  22           HN       THR  22 104.008   8.416 -13.910
   87    HA   THR  22           HA       THR  22 102.423  10.870 -14.425
   88    HB   THR  22           HB       THR  22 102.699  10.752 -12.037
   89    HG1  THR  22           HG1      THR  22 104.747  12.424 -12.247
   90   HG21  THR  22          HG21      THR  22 104.527   9.092 -12.066
   91   HG22  THR  22          HG22      THR  22 104.903  10.463 -11.022
   92   HG23  THR  22          HG23      THR  22 105.633  10.345 -12.623
   93    H    SER  23           HN       SER  23 103.687  12.706 -15.098
   94    HA   SER  23           HA       SER  23 106.161  11.928 -16.542
   95    HB2  SER  23           HB2      SER  23 105.644  13.585 -18.160
   96    HB3  SER  23           HB1      SER  23 104.129  12.737 -17.862
   97    HG   SER  23           HG       SER  23 103.357  14.452 -16.838
   98    H    GLY  24           HN       GLY  24 107.969  12.664 -15.650
   99    HA2  GLY  24           HA2      GLY  24 107.898  15.181 -14.064
  100    HA3  GLY  24           HA1      GLY  24 108.985  13.832 -13.746
  101    HA   PRO  25           HA       PRO  25 111.252  17.008 -16.295
  102    HB2  PRO  25           HB2      PRO  25 113.482  16.053 -14.556
  103    HB3  PRO  25           HB1      PRO  25 112.981  17.712 -14.931
  104    HG2  PRO  25           HG2      PRO  25 112.519  16.613 -12.534
  105    HG3  PRO  25           HG1      PRO  25 111.371  17.741 -13.280
  106    HD2  PRO  25           HD2      PRO  25 111.208  14.749 -13.071
  107    HD3  PRO  25           HD1      PRO  25 109.910  15.960 -12.948
  108    H    HIS  26           HN       HIS  26 112.452  16.519 -18.105
  109    HA   HIS  26           HA       HIS  26 112.781  13.746 -18.794
  110    HB2  HIS  26           HB2      HIS  26 113.777  16.191 -20.275
  111    HB3  HIS  26           HB1      HIS  26 113.545  14.572 -20.936
  112    HD2  HIS  26           HD2      HIS  26 111.699  17.480 -21.654
  113    HE1  HIS  26           HE1      HIS  26 108.572  14.977 -20.323
  114    HE2  HIS  26           HE2      HIS  26 109.114  17.109 -21.589
  115    H    GLY  27           HN       GLY  27 114.606  12.526 -18.762
  116    HA2  GLY  27           HA2      GLY  27 117.242  13.554 -18.781
  117    HA3  GLY  27           HA1      GLY  27 116.765  13.206 -17.123
  118    H    LEU  28           HN       LEU  28 115.047  10.936 -17.905
  119    HA   LEU  28           HA       LEU  28 116.938   9.020 -19.048
  120    HB2  LEU  28           HB2      LEU  28 116.853   9.365 -16.319
  121    HB3  LEU  28           HB1      LEU  28 115.685   8.072 -16.516
  122    HG   LEU  28           HG       LEU  28 118.530   8.055 -17.592
  123   HD11  LEU  28          HD11      LEU  28 118.293   7.930 -15.089
  124   HD12  LEU  28          HD12      LEU  28 119.015   6.491 -15.810
  125   HD13  LEU  28          HD13      LEU  28 117.325   6.473 -15.306
  126   HD21  LEU  28          HD21      LEU  28 116.521   5.786 -17.416
  127   HD22  LEU  28          HD22      LEU  28 118.119   5.736 -18.155
  128   HD23  LEU  28          HD23      LEU  28 116.841   6.698 -18.893
  129    H    SER  29           HN       SER  29 115.165   6.919 -17.773
  130    HA   SER  29           HA       SER  29 113.242   6.770 -19.931
  131    HB2  SER  29           HB2      SER  29 113.015   4.521 -19.354
  132    HB3  SER  29           HB1      SER  29 114.678   4.862 -18.883
  133    HG   SER  29           HG       SER  29 113.681   5.404 -16.763
  134    H    SER  30           HN       SER  30 111.000   5.893 -19.316
  135    HA   SER  30           HA       SER  30 109.617   7.898 -17.874
  136    HB2  SER  30           HB2      SER  30 108.720   5.163 -18.799
  137    HB3  SER  30           HB1      SER  30 107.647   6.393 -18.143
  138    HG   SER  30           HG       SER  30 107.882   7.564 -19.912
  139    H    CYS  31           HN       CYS  31 108.131   7.466 -16.031
  140    HA   CYS  31           HA       CYS  31 109.273   5.546 -14.081
  141    HB2  CYS  31           HB2      CYS  31 109.036   8.473 -13.926
  142    HB3  CYS  31           HB1      CYS  31 108.343   7.668 -12.528
  143    H    HIS  32           HN       HIS  32 107.808   4.118 -13.518
  144    HA   HIS  32           HA       HIS  32 104.936   4.868 -13.411
  145    HB2  HIS  32           HB2      HIS  32 106.222   2.170 -13.919
  146    HB3  HIS  32           HB1      HIS  32 104.494   2.439 -13.723
  147    HD2  HIS  32           HD2      HIS  32 103.244   2.957 -16.108
  148    HE1  HIS  32           HE1      HIS  32 106.593   4.285 -18.302
  149    HE2  HIS  32           HE2      HIS  32 104.103   3.801 -18.422
  150    H    LEU  33           HN       LEU  33 104.137   4.965 -11.399
  151    HA   LEU  33           HA       LEU  33 105.583   4.448  -9.075
  152    HB2  LEU  33           HB2      LEU  33 103.293   5.708  -9.502
  153    HB3  LEU  33           HB1      LEU  33 102.587   4.156  -9.074
  154    HG   LEU  33           HG       LEU  33 104.450   5.839  -7.374
  155   HD11  LEU  33          HD11      LEU  33 101.530   5.092  -7.214
  156   HD12  LEU  33          HD12      LEU  33 102.241   6.705  -7.245
  157   HD13  LEU  33          HD13      LEU  33 102.422   5.687  -5.817
  158   HD21  LEU  33          HD21      LEU  33 103.863   4.002  -5.640
  159   HD22  LEU  33          HD22      LEU  33 105.098   3.648  -6.842
  160   HD23  LEU  33          HD23      LEU  33 103.464   3.011  -7.044
  161    H    GLU  34           HN       GLU  34 106.148   2.622  -8.069
  162    HA   GLU  34           HA       GLU  34 104.505   0.203  -8.404
  163    HB2  GLU  34           HB2      GLU  34 106.571  -1.154  -8.644
  164    HB3  GLU  34           HB1      GLU  34 106.311  -0.061 -10.001
  165    HG2  GLU  34           HG2      GLU  34 107.908   1.535  -9.073
  166    HG3  GLU  34           HG1      GLU  34 108.125   0.525  -7.645
  167    H    ILE  35           HN       ILE  35 104.269  -0.991  -6.605
  168    HA   ILE  35           HA       ILE  35 105.640  -0.005  -4.163
  169    HB   ILE  35           HB       ILE  35 103.090  -1.630  -4.373
  170   HG12  ILE  35          HG12      ILE  35 103.535   1.334  -3.871
  171   HG13  ILE  35          HG11      ILE  35 102.826   0.634  -5.325
  172   HG21  ILE  35          HG21      ILE  35 104.388  -1.880  -2.250
  173   HG22  ILE  35          HG22      ILE  35 102.853  -1.056  -1.990
  174   HG23  ILE  35          HG23      ILE  35 104.352  -0.129  -2.052
  175   HD11  ILE  35          HD11      ILE  35 101.689   0.652  -2.525
  176   HD12  ILE  35          HD12      ILE  35 101.080  -0.432  -3.777
  177   HD13  ILE  35          HD13      ILE  35 100.971   1.316  -3.994
  178    H    ARG  36           HN       ARG  36 107.109  -1.242  -3.254
  179    HA   ARG  36           HA       ARG  36 107.705  -3.852  -4.304
  180    HB2  ARG  36           HB2      ARG  36 108.878  -2.045  -2.228
  181    HB3  ARG  36           HB1      ARG  36 109.414  -3.719  -2.308
  182    HG2  ARG  36           HG2      ARG  36 110.961  -2.638  -3.697
  183    HG3  ARG  36           HG1      ARG  36 109.779  -3.216  -4.863
  184    HD2  ARG  36           HD2      ARG  36 108.675  -1.001  -4.831
  185    HD3  ARG  36           HD1      ARG  36 109.868  -0.428  -3.670
  186    HE   ARG  36           HE       ARG  36 110.276  -0.842  -6.519
  187   HH11  ARG  36          HH11      ARG  36 112.299  -0.149  -7.302
  188   HH12  ARG  36          HH12      ARG  36 113.572   0.217  -6.186
  189   HH21  ARG  36          HH21      ARG  36 111.686  -0.543  -3.376
  190   HH22  ARG  36          HH22      ARG  36 113.225  -0.005  -3.963
  191    H    GLU  37           HN       GLU  37 107.953  -5.735  -3.024
  192    HA   GLU  37           HA       GLU  37 105.649  -6.347  -1.464
  193    HB2  GLU  37           HB2      GLU  37 106.854  -7.995  -2.898
  194    HB3  GLU  37           HB1      GLU  37 108.224  -7.913  -1.790
  195    HG2  GLU  37           HG2      GLU  37 106.786  -8.665   0.055
  196    HG3  GLU  37           HG1      GLU  37 105.410  -8.737  -1.043
  197    H    ASP  38           HN       ASP  38 108.912  -5.336  -0.870
  198    HA   ASP  38           HA       ASP  38 109.012  -5.995   1.910
  199    HB2  ASP  38           HB2      ASP  38 111.014  -5.543   0.428
  200    HB3  ASP  38           HB1      ASP  38 110.575  -3.837   0.476
  201    H    GLY  39           HN       GLY  39 107.339  -3.697   0.109
  202    HA2  GLY  39           HA2      GLY  39 105.674  -2.284   1.026
  203    HA3  GLY  39           HA1      GLY  39 106.558  -2.247   2.546
  204    H    THR  40           HN       THR  40 108.704  -1.850  -0.048
  205    HA   THR  40           HA       THR  40 108.962   0.998   0.595
  206    HB   THR  40           HB       THR  40 110.960   0.831  -0.968
  207    HG1  THR  40           HG1      THR  40 111.096  -0.922  -2.069
  208   HG21  THR  40          HG21      THR  40 111.083   0.661   1.515
  209   HG22  THR  40          HG22      THR  40 112.324  -0.291   0.704
  210   HG23  THR  40          HG23      THR  40 110.899  -1.087   1.370
  211    H    VAL  41           HN       VAL  41 109.212   2.585  -1.198
  212    HA   VAL  41           HA       VAL  41 107.430   1.942  -3.490
  213    HB   VAL  41           HB       VAL  41 107.505   4.504  -1.882
  214   HG11  VAL  41          HG11      VAL  41 106.086   3.671  -4.418
  215   HG12  VAL  41          HG12      VAL  41 107.048   5.120  -4.128
  216   HG13  VAL  41          HG13      VAL  41 105.455   4.958  -3.390
  217   HG21  VAL  41          HG21      VAL  41 106.354   2.516  -0.833
  218   HG22  VAL  41          HG22      VAL  41 105.287   2.464  -2.236
  219   HG23  VAL  41          HG23      VAL  41 105.275   3.871  -1.172
  220    H    GLY  42           HN       GLY  42 107.864   2.848  -5.435
  221    HA2  GLY  42           HA2      GLY  42 109.789   4.880  -5.916
  222    HA3  GLY  42           HA1      GLY  42 110.498   3.292  -6.220
  223    H    CYS  43           HN       CYS  43 110.514   4.506  -8.459
  224    HA   CYS  43           HA       CYS  43 107.937   4.053  -9.843
  225    HB2  CYS  43           HB2      CYS  43 108.367   5.876 -11.134
  226    HB3  CYS  43           HB1      CYS  43 109.487   6.304  -9.847
  227    H    ALA  44           HN       ALA  44 108.039   3.204 -12.048
  228    HA   ALA  44           HA       ALA  44 110.345   1.420 -12.580
  229    HB1  ALA  44           HB1      ALA  44 108.138   0.007 -13.552
  230    HB2  ALA  44           HB2      ALA  44 107.554   0.669 -12.026
  231    HB3  ALA  44           HB3      ALA  44 108.995  -0.343 -12.050
  232    H    ALA  45           HN       ALA  45 110.840   1.155 -14.767
  233    HA   ALA  45           HA       ALA  45 109.471   3.043 -16.598
  234    HB1  ALA  45           HB1      ALA  45 111.488   3.148 -17.833
  235    HB2  ALA  45           HB2      ALA  45 112.147   1.720 -17.033
  236    HB3  ALA  45           HB3      ALA  45 111.969   3.231 -16.139
  237    H    ASP  46           HN       ASP  46 109.536  -0.210 -15.855
  238    HA   ASP  46           HA       ASP  46 108.915  -1.020 -18.647
  239    HB2  ASP  46           HB2      ASP  46 110.936  -2.046 -17.514
  240    HB3  ASP  46           HB1      ASP  46 109.804  -2.824 -16.410
  241    H    GLN  47           HN       GLN  47 107.159  -0.027 -16.235
  242    HA   GLN  47           HA       GLN  47 105.129  -0.587 -15.268
  243    HB2  GLN  47           HB2      GLN  47 104.909  -1.860 -18.001
  244    HB3  GLN  47           HB1      GLN  47 103.552  -1.692 -16.887
  245    HG2  GLN  47           HG2      GLN  47 103.857   0.744 -16.863
  246    HG3  GLN  47           HG1      GLN  47 105.231   0.592 -17.957
  247   HE21  GLN  47          HE21      GLN  47 103.537   2.130 -19.189
  248   HE22  GLN  47          HE22      GLN  47 102.493   1.320 -20.254
  249    H    SER  48           HN       SER  48 105.611  -1.932 -13.555
  250    HA   SER  48           HA       SER  48 105.878  -4.821 -14.081
  251    HB2  SER  48           HB2      SER  48 106.670  -3.032 -11.803
  252    HB3  SER  48           HB1      SER  48 106.518  -4.767 -11.555
  253    HG   SER  48           HG       SER  48 108.636  -3.840 -12.285
  254    HA   PRO  49           HA       PRO  49 101.840  -5.867 -12.584
  255    HB2  PRO  49           HB2      PRO  49 103.128  -7.579 -10.481
  256    HB3  PRO  49           HB1      PRO  49 101.866  -7.997 -11.658
  257    HG2  PRO  49           HG2      PRO  49 104.390  -8.799 -11.980
  258    HG3  PRO  49           HG1      PRO  49 103.379  -8.335 -13.362
  259    HD2  PRO  49           HD2      PRO  49 105.639  -6.838 -12.098
  260    HD3  PRO  49           HD1      PRO  49 105.081  -6.843 -13.785
  261    H    GLU  50           HN       GLU  50 104.283  -5.122 -10.147
  262    HA   GLU  50           HA       GLU  50 102.457  -4.515  -8.054
  263    HB2  GLU  50           HB2      GLU  50 104.609  -3.134  -7.243
  264    HB3  GLU  50           HB1      GLU  50 104.529  -4.886  -7.129
  265    HG2  GLU  50           HG2      GLU  50 105.761  -5.127  -9.215
  266    HG3  GLU  50           HG1      GLU  50 105.751  -3.379  -9.460
  267    H    SER  51           HN       SER  51 103.184  -2.831 -10.906
  268    HA   SER  51           HA       SER  51 102.737  -0.188  -9.809
  269    HB2  SER  51           HB2      SER  51 103.002  -1.185 -12.649
  270    HB3  SER  51           HB1      SER  51 102.733   0.497 -12.221
  271    HG   SER  51           HG       SER  51 104.647   0.081 -10.767
  272    H    LEU  52           HN       LEU  52 100.793  -2.771 -10.414
  273    HA   LEU  52           HA       LEU  52  98.538  -1.228 -11.468
  274    HB2  LEU  52           HB2      LEU  52  99.287  -3.745 -11.973
  275    HB3  LEU  52           HB1      LEU  52  98.296  -4.080 -10.558
  276    HG   LEU  52           HG       LEU  52  97.423  -2.694 -13.112
  277   HD11  LEU  52          HD11      LEU  52  96.447  -5.240 -11.795
  278   HD12  LEU  52          HD12      LEU  52  97.629  -5.197 -13.103
  279   HD13  LEU  52          HD13      LEU  52  95.983  -4.622 -13.381
  280   HD21  LEU  52          HD21      LEU  52  96.312  -1.634 -11.174
  281   HD22  LEU  52          HD22      LEU  52  95.838  -3.222 -10.577
  282   HD23  LEU  52          HD23      LEU  52  95.179  -2.612 -12.094
  283    H    LEU  53           HN       LEU  53  97.486  -0.029 -10.008
  284    HA   LEU  53           HA       LEU  53  97.249  -0.998  -7.220
  285    HB2  LEU  53           HB2      LEU  53  96.826   1.791  -8.310
  286    HB3  LEU  53           HB1      LEU  53  96.841   1.314  -6.614
  287    HG   LEU  53           HG       LEU  53  99.186   1.053  -8.523
  288   HD11  LEU  53          HD11      LEU  53 100.161   2.872  -7.144
  289   HD12  LEU  53          HD12      LEU  53  98.644   2.992  -6.254
  290   HD13  LEU  53          HD13      LEU  53  98.693   3.392  -7.971
  291   HD21  LEU  53          HD21      LEU  53 100.363   0.735  -6.206
  292   HD22  LEU  53          HD22      LEU  53  99.499  -0.632  -6.900
  293   HD23  LEU  53          HD23      LEU  53  98.750   0.325  -5.623
  294    H    GLN  54           HN       GLN  54  95.368  -1.550  -6.411
  295    HA   GLN  54           HA       GLN  54  93.020  -1.572  -8.063
  296    HB2  GLN  54           HB2      GLN  54  93.767  -3.304  -6.275
  297    HB3  GLN  54           HB1      GLN  54  93.064  -2.180  -5.118
  298    HG2  GLN  54           HG2      GLN  54  90.928  -2.254  -6.383
  299    HG3  GLN  54           HG1      GLN  54  91.643  -3.456  -7.457
  300   HE21  GLN  54          HE21      GLN  54  91.040  -5.538  -6.881
  301   HE22  GLN  54          HE22      GLN  54  90.780  -6.072  -5.290
  302    H    LEU  55           HN       LEU  55  91.870   0.240  -8.358
  303    HA   LEU  55           HA       LEU  55  91.936   2.386  -6.396
  304    HB2  LEU  55           HB2      LEU  55  92.069   3.042  -8.702
  305    HB3  LEU  55           HB1      LEU  55  90.637   2.106  -9.115
  306    HG   LEU  55           HG       LEU  55  89.230   3.586  -7.782
  307   HD11  LEU  55          HD11      LEU  55  90.547   4.210  -5.932
  308   HD12  LEU  55          HD12      LEU  55  90.421   5.705  -6.860
  309   HD13  LEU  55          HD13      LEU  55  91.891   4.732  -6.950
  310   HD21  LEU  55          HD21      LEU  55  91.167   5.049  -9.598
  311   HD22  LEU  55          HD22      LEU  55  89.643   5.730  -9.024
  312   HD23  LEU  55          HD23      LEU  55  89.636   4.304 -10.063
  313    H    LYS  56           HN       LYS  56  90.515   2.584  -4.803
  314    HA   LYS  56           HA       LYS  56  87.827   1.369  -5.113
  315    HB2  LYS  56           HB2      LYS  56  89.601   1.403  -2.658
  316    HB3  LYS  56           HB1      LYS  56  87.904   0.920  -2.656
  317    HG2  LYS  56           HG2      LYS  56  88.381  -0.881  -4.240
  318    HG3  LYS  56           HG1      LYS  56  90.060  -0.369  -4.353
  319    HD2  LYS  56           HD2      LYS  56  90.092  -2.170  -2.807
  320    HD3  LYS  56           HD1      LYS  56  90.179  -0.719  -1.812
  321    HE2  LYS  56           HE2      LYS  56  87.890  -0.887  -1.182
  322    HE3  LYS  56           HE1      LYS  56  87.541  -2.059  -2.453
  323    HZ1  LYS  56           HZ1      LYS  56  87.732  -3.217  -0.401
  324    HZ2  LYS  56           HZ2      LYS  56  89.219  -2.476  -0.044
  325    HZ3  LYS  56           HZ3      LYS  56  89.105  -3.587  -1.324
  326    H    ALA  57           HN       ALA  57  86.173   2.684  -4.745
  327    HA   ALA  57           HA       ALA  57  86.752   5.431  -3.859
  328    HB1  ALA  57           HB1      ALA  57  84.060   4.454  -4.775
  329    HB2  ALA  57           HB2      ALA  57  85.352   4.718  -5.944
  330    HB3  ALA  57           HB3      ALA  57  84.784   6.055  -4.946
  331    H    LEU  58           HN       LEU  58  86.790   5.586  -1.669
  332    HA   LEU  58           HA       LEU  58  85.120   4.002   0.048
  333    HB2  LEU  58           HB2      LEU  58  86.599   6.558   0.721
  334    HB3  LEU  58           HB1      LEU  58  86.020   5.339   1.855
  335    HG   LEU  58           HG       LEU  58  88.130   4.906  -0.277
  336   HD11  LEU  58          HD11      LEU  58  89.317   6.057   1.339
  337   HD12  LEU  58          HD12      LEU  58  89.425   4.442   2.033
  338   HD13  LEU  58          HD13      LEU  58  88.232   5.583   2.646
  339   HD21  LEU  58          HD21      LEU  58  86.735   3.072   1.670
  340   HD22  LEU  58          HD22      LEU  58  88.402   2.741   1.196
  341   HD23  LEU  58          HD23      LEU  58  87.135   2.802  -0.028
  342    H    LYS  59           HN       LYS  59  85.325   7.524  -0.119
  343    HA   LYS  59           HA       LYS  59  82.370   7.714  -0.028
  344    HB2  LYS  59           HB2      LYS  59  84.418   9.521   1.276
  345    HB3  LYS  59           HB1      LYS  59  82.674   9.763   1.316
  346    HG2  LYS  59           HG2      LYS  59  82.311   7.987   2.778
  347    HG3  LYS  59           HG1      LYS  59  83.754   7.118   2.258
  348    HD2  LYS  59           HD2      LYS  59  84.061   9.766   3.673
  349    HD3  LYS  59           HD1      LYS  59  83.716   8.318   4.616
  350    HE2  LYS  59           HE2      LYS  59  85.686   7.200   3.576
  351    HE3  LYS  59           HE1      LYS  59  86.055   8.696   2.721
  352    HZ1  LYS  59           HZ1      LYS  59  85.691   9.373   5.380
  353    HZ2  LYS  59           HZ2      LYS  59  87.149   9.356   4.508
  354    HZ3  LYS  59           HZ3      LYS  59  86.663   7.984   5.384
  355    HA   PRO  60           HA       PRO  60  82.580  10.121  -3.761
  356    HB2  PRO  60           HB2      PRO  60  81.142  12.291  -2.258
  357    HB3  PRO  60           HB1      PRO  60  80.768  11.586  -3.845
  358    HG2  PRO  60           HG2      PRO  60  79.368  10.937  -1.658
  359    HG3  PRO  60           HG1      PRO  60  79.716   9.753  -2.931
  360    HD2  PRO  60           HD2      PRO  60  80.889   9.959  -0.196
  361    HD3  PRO  60           HD1      PRO  60  80.693   8.538  -1.246
  362    H    GLY  61           HN       GLY  61  84.458  11.047  -4.356
  363    HA2  GLY  61           HA2      GLY  61  85.945  12.860  -4.564
  364    HA3  GLY  61           HA1      GLY  61  85.382  13.490  -3.024
  365    H    VAL  62           HN       VAL  62  85.755  10.503  -2.055
  366    HA   VAL  62           HA       VAL  62  88.694  10.719  -1.597
  367    HB   VAL  62           HB       VAL  62  86.521   9.721   0.259
  368   HG11  VAL  62          HG11      VAL  62  88.541   9.542   1.856
  369   HG12  VAL  62          HG12      VAL  62  89.534   9.574   0.399
  370   HG13  VAL  62          HG13      VAL  62  88.360   8.280   0.638
  371   HG21  VAL  62          HG21      VAL  62  88.442  12.067   0.418
  372   HG22  VAL  62          HG22      VAL  62  87.354  11.562   1.713
  373   HG23  VAL  62          HG23      VAL  62  86.694  12.159   0.191
  374    H    ILE  63           HN       ILE  63  89.870   9.002  -2.215
  375    HA   ILE  63           HA       ILE  63  88.521   6.392  -2.591
  376    HB   ILE  63           HB       ILE  63  89.571   6.069  -4.703
  377   HG12  ILE  63          HG12      ILE  63  90.961   8.190  -5.578
  378   HG13  ILE  63          HG11      ILE  63  91.224   8.450  -3.860
  379   HG21  ILE  63          HG21      ILE  63  88.612   7.887  -6.014
  380   HG22  ILE  63          HG22      ILE  63  88.585   8.929  -4.591
  381   HG23  ILE  63          HG23      ILE  63  87.545   7.506  -4.660
  382   HD11  ILE  63          HD11      ILE  63  92.510   6.565  -5.632
  383   HD12  ILE  63          HD12      ILE  63  91.759   5.692  -4.302
  384   HD13  ILE  63          HD13      ILE  63  92.920   6.973  -3.973
  385    H    GLN  64           HN       GLN  64  90.060   4.594  -2.739
  386    HA   GLN  64           HA       GLN  64  92.583   5.054  -1.245
  387    HB2  GLN  64           HB2      GLN  64  90.796   4.078   0.210
  388    HB3  GLN  64           HB1      GLN  64  90.723   2.692  -0.877
  389    HG2  GLN  64           HG2      GLN  64  93.057   2.170  -0.442
  390    HG3  GLN  64           HG1      GLN  64  93.234   3.625   0.537
  391   HE21  GLN  64          HE21      GLN  64  93.795   1.131   1.713
  392   HE22  GLN  64          HE22      GLN  64  92.586   0.756   2.843
  393    H    ILE  65           HN       ILE  65  94.320   3.766  -1.868
  394    HA   ILE  65           HA       ILE  65  93.905   2.114  -4.297
  395    HB   ILE  65           HB       ILE  65  96.445   2.832  -4.641
  396   HG12  ILE  65          HG12      ILE  65  95.274   5.152  -3.060
  397   HG13  ILE  65          HG11      ILE  65  96.537   4.071  -2.475
  398   HG21  ILE  65          HG21      ILE  65  95.634   4.717  -6.033
  399   HG22  ILE  65          HG22      ILE  65  94.082   4.658  -5.196
  400   HG23  ILE  65          HG23      ILE  65  94.596   3.302  -6.199
  401   HD11  ILE  65          HD11      ILE  65  97.773   4.771  -4.685
  402   HD12  ILE  65          HD12      ILE  65  97.775   5.871  -3.305
  403   HD13  ILE  65          HD13      ILE  65  96.664   6.143  -4.646
  404    H    LEU  66           HN       LEU  66  94.387   0.100  -4.136
  405    HA   LEU  66           HA       LEU  66  96.273  -0.839  -2.051
  406    HB2  LEU  66           HB2      LEU  66  94.014  -1.261  -1.335
  407    HB3  LEU  66           HB1      LEU  66  93.565  -1.903  -2.890
  408    HG   LEU  66           HG       LEU  66  93.974  -3.560  -0.965
  409   HD11  LEU  66          HD11      LEU  66  95.726  -4.316  -3.266
  410   HD12  LEU  66          HD12      LEU  66  94.031  -3.990  -3.589
  411   HD13  LEU  66          HD13      LEU  66  94.487  -5.245  -2.444
  412   HD21  LEU  66          HD21      LEU  66  96.173  -4.111  -0.347
  413   HD22  LEU  66          HD22      LEU  66  96.152  -2.353  -0.335
  414   HD23  LEU  66          HD23      LEU  66  96.879  -3.219  -1.690
  415    H    GLY  67           HN       GLY  67  97.968  -1.866  -2.917
  416    HA2  GLY  67           HA2      GLY  67  98.171  -2.484  -5.694
  417    HA3  GLY  67           HA1      GLY  67  99.340  -2.917  -4.454
  418    H    VAL  68           HN       VAL  68  97.443  -4.216  -6.753
  419    HA   VAL  68           HA       VAL  68  96.159  -6.366  -5.433
  420    HB   VAL  68           HB       VAL  68  95.959  -7.338  -7.663
  421   HG11  VAL  68          HG11      VAL  68  95.685  -4.318  -7.760
  422   HG12  VAL  68          HG12      VAL  68  94.537  -5.393  -6.960
  423   HG13  VAL  68          HG13      VAL  68  94.766  -5.494  -8.706
  424   HG21  VAL  68          HG21      VAL  68  97.029  -5.952  -9.558
  425   HG22  VAL  68          HG22      VAL  68  98.105  -6.998  -8.629
  426   HG23  VAL  68          HG23      VAL  68  98.062  -5.264  -8.306
  427    H    LYS  69           HN       LYS  69  99.334  -6.117  -7.006
  428    HA   LYS  69           HA       LYS  69 100.061  -8.834  -6.699
  429    HB2  LYS  69           HB2      LYS  69 101.149  -7.199  -8.244
  430    HB3  LYS  69           HB1      LYS  69 101.881  -6.424  -6.847
  431    HG2  LYS  69           HG2      LYS  69 102.291  -9.385  -7.094
  432    HG3  LYS  69           HG1      LYS  69 103.134  -8.378  -8.264
  433    HD2  LYS  69           HD2      LYS  69 104.077  -7.041  -6.355
  434    HD3  LYS  69           HD1      LYS  69 103.349  -8.194  -5.241
  435    HE2  LYS  69           HE2      LYS  69 104.635 -10.020  -6.223
  436    HE3  LYS  69           HE1      LYS  69 105.316  -8.922  -7.423
  437    HZ1  LYS  69           HZ1      LYS  69 105.661  -7.921  -4.784
  438    HZ2  LYS  69           HZ2      LYS  69 106.827  -8.224  -5.982
  439    HZ3  LYS  69           HZ3      LYS  69 106.338  -9.470  -4.936
  440    H    THR  70           HN       THR  70 100.840  -5.972  -4.729
  441    HA   THR  70           HA       THR  70 102.171  -7.639  -2.735
  442    HB   THR  70           HB       THR  70 102.840  -5.557  -1.718
  443    HG1  THR  70           HG1      THR  70 101.186  -4.315  -3.655
  444   HG21  THR  70          HG21      THR  70 102.968  -5.477  -4.743
  445   HG22  THR  70          HG22      THR  70 104.120  -6.266  -3.665
  446   HG23  THR  70          HG23      THR  70 103.977  -4.510  -3.669
  447    H    SER  71           HN       SER  71  99.045  -6.218  -3.179
  448    HA   SER  71           HA       SER  71  97.188  -6.177  -1.819
  449    HB2  SER  71           HB2      SER  71  96.847  -8.120  -0.664
  450    HB3  SER  71           HB1      SER  71  98.400  -8.601  -1.342
  451    HG   SER  71           HG       SER  71  99.206  -7.349   0.629
  452    H    ARG  72           HN       ARG  72  99.467  -4.340  -1.426
  453    HA   ARG  72           HA       ARG  72  99.250  -3.726   1.456
  454    HB2  ARG  72           HB2      ARG  72 101.260  -2.918  -0.653
  455    HB3  ARG  72           HB1      ARG  72 101.202  -2.211   0.958
  456    HG2  ARG  72           HG2      ARG  72 101.474  -4.461   1.941
  457    HG3  ARG  72           HG1      ARG  72 101.572  -5.151   0.328
  458    HD2  ARG  72           HD2      ARG  72 103.565  -3.812  -0.148
  459    HD3  ARG  72           HD1      ARG  72 103.455  -3.048   1.433
  460    HE   ARG  72           HE       ARG  72 104.356  -5.776   0.868
  461   HH11  ARG  72          HH11      ARG  72 105.409  -6.780   2.614
  462   HH12  ARG  72          HH12      ARG  72 105.298  -6.086   4.198
  463   HH21  ARG  72          HH21      ARG  72 103.344  -3.409   3.186
  464   HH22  ARG  72          HH22      ARG  72 104.137  -4.181   4.519
  465    H    PHE  73           HN       PHE  73  98.487  -1.780   2.156
  466    HA   PHE  73           HA       PHE  73  97.018  -0.158   0.188
  467    HB2  PHE  73           HB2      PHE  73  97.090  -0.045   3.220
  468    HB3  PHE  73           HB1      PHE  73  96.036   0.917   2.184
  469    HD1  PHE  73           HD1      PHE  73  96.546  -2.315   3.769
  470    HD2  PHE  73           HD2      PHE  73  94.372  -0.241   0.699
  471    HE1  PHE  73           HE1      PHE  73  94.907  -4.172   3.674
  472    HE2  PHE  73           HE2      PHE  73  92.734  -2.100   0.602
  473    HZ   PHE  73           HZ       PHE  73  93.002  -4.065   2.090
  474    H    LEU  74           HN       LEU  74  98.176   1.389  -0.777
  475    HA   LEU  74           HA       LEU  74 100.574   2.482   0.255
  476    HB2  LEU  74           HB2      LEU  74 100.261   2.542  -2.107
  477    HB3  LEU  74           HB1      LEU  74  98.709   3.361  -1.952
  478    HG   LEU  74           HG       LEU  74  99.770   5.395  -1.200
  479   HD11  LEU  74          HD11      LEU  74 102.212   3.635  -0.982
  480   HD12  LEU  74          HD12      LEU  74 101.518   4.718   0.225
  481   HD13  LEU  74          HD13      LEU  74 102.375   5.382  -1.162
  482   HD21  LEU  74          HD21      LEU  74 100.901   6.022  -3.179
  483   HD22  LEU  74          HD22      LEU  74  99.860   4.699  -3.694
  484   HD23  LEU  74          HD23      LEU  74 101.573   4.410  -3.416
  485    H    CYS  75           HN       CYS  75 100.588   3.566   2.119
  486    HA   CYS  75           HA       CYS  75  98.631   5.758   2.496
  487    HB2  CYS  75           HB2      CYS  75  99.992   4.327   4.761
  488    HB3  CYS  75           HB1      CYS  75  98.560   5.353   4.807
  489    H    GLN  76           HN       GLN  76  99.406   7.717   3.264
  490    HA   GLN  76           HA       GLN  76 102.331   8.055   3.066
  491    HB2  GLN  76           HB2      GLN  76 101.072   9.388   1.473
  492    HB3  GLN  76           HB1      GLN  76 100.075  10.051   2.768
  493    HG2  GLN  76           HG2      GLN  76 101.991  11.170   3.751
  494    HG3  GLN  76           HG1      GLN  76 103.087  10.382   2.621
  495   HE21  GLN  76          HE21      GLN  76 103.675  11.737   0.930
  496   HE22  GLN  76          HE22      GLN  76 102.699  12.962   0.277
  497    H    ARG  77           HN       ARG  77 103.484   8.656   4.779
  498    HA   ARG  77           HA       ARG  77 102.170   8.911   7.335
  499    HB2  ARG  77           HB2      ARG  77 104.906   9.534   7.706
  500    HB3  ARG  77           HB1      ARG  77 104.141   7.970   7.980
  501    HG2  ARG  77           HG2      ARG  77 104.600   7.298   5.687
  502    HG3  ARG  77           HG1      ARG  77 105.235   8.901   5.315
  503    HD2  ARG  77           HD2      ARG  77 107.064   7.303   5.763
  504    HD3  ARG  77           HD1      ARG  77 107.029   8.590   6.966
  505    HE   ARG  77           HE       ARG  77 105.541   6.698   8.170
  506   HH11  ARG  77          HH11      ARG  77 106.337   4.941   9.371
  507   HH12  ARG  77          HH12      ARG  77 107.917   4.315   9.035
  508   HH21  ARG  77          HH21      ARG  77 108.560   6.568   6.481
  509   HH22  ARG  77          HH22      ARG  77 109.173   5.231   7.396
  510    HA   PRO  78           HA       PRO  78 101.935  13.285   7.863
  511    HB2  PRO  78           HB2      PRO  78 103.945  13.188  10.084
  512    HB3  PRO  78           HB1      PRO  78 102.309  13.878  10.076
  513    HG2  PRO  78           HG2      PRO  78 102.826  11.568  11.295
  514    HG3  PRO  78           HG1      PRO  78 101.303  11.830  10.423
  515    HD2  PRO  78           HD2      PRO  78 103.689  10.210   9.600
  516    HD3  PRO  78           HD1      PRO  78 101.962   9.932   9.288
  517    H    ASP  79           HN       ASP  79 105.162  11.919   7.936
  518    HA   ASP  79           HA       ASP  79 106.626  14.273   7.359
  519    HB2  ASP  79           HB2      ASP  79 107.524  12.080   8.268
  520    HB3  ASP  79           HB1      ASP  79 107.423  11.455   6.624
  521    H    GLY  80           HN       GLY  80 104.430  12.580   5.486
  522    HA2  GLY  80           HA2      GLY  80 103.762  13.069   3.308
  523    HA3  GLY  80           HA1      GLY  80 105.212  14.046   3.107
  524    H    ALA  81           HN       ALA  81 105.861  10.953   4.396
  525    HA   ALA  81           HA       ALA  81 107.093  10.151   1.858
  526    HB1  ALA  81           HB1      ALA  81 107.794   8.152   3.514
  527    HB2  ALA  81           HB2      ALA  81 107.408   9.374   4.728
  528    HB3  ALA  81           HB3      ALA  81 108.637   9.700   3.510
  529    H    LEU  82           HN       LEU  82 106.634   8.251   0.777
  530    HA   LEU  82           HA       LEU  82 103.916   7.186   1.209
  531    HB2  LEU  82           HB2      LEU  82 105.781   7.452  -1.124
  532    HB3  LEU  82           HB1      LEU  82 104.554   6.191  -1.180
  533    HG   LEU  82           HG       LEU  82 102.774   7.805  -0.936
  534   HD11  LEU  82          HD11      LEU  82 105.032   9.740  -0.388
  535   HD12  LEU  82          HD12      LEU  82 103.624   9.388   0.613
  536   HD13  LEU  82          HD13      LEU  82 103.432  10.294  -0.882
  537   HD21  LEU  82          HD21      LEU  82 104.906   8.547  -2.950
  538   HD22  LEU  82          HD22      LEU  82 103.351   9.372  -2.914
  539   HD23  LEU  82          HD23      LEU  82 103.420   7.636  -3.214
  540    H    TYR  83           HN       TYR  83 103.521   5.099   1.715
  541    HA   TYR  83           HA       TYR  83 105.512   3.037   1.298
  542    HB2  TYR  83           HB2      TYR  83 105.786   2.389   3.591
  543    HB3  TYR  83           HB1      TYR  83 106.195   4.099   3.469
  544    HD1  TYR  83           HD1      TYR  83 104.228   1.698   5.198
  545    HD2  TYR  83           HD2      TYR  83 104.214   5.792   3.885
  546    HE1  TYR  83           HE1      TYR  83 102.499   2.231   6.888
  547    HE2  TYR  83           HE2      TYR  83 102.482   6.324   5.582
  548    HH   TYR  83           HH       TYR  83 100.560   4.447   6.908
  549    H    GLY  84           HN       GLY  84 104.686   0.918   1.599
  550    HA2  GLY  84           HA2      GLY  84 101.766   0.759   1.350
  551    HA3  GLY  84           HA1      GLY  84 102.922  -0.517   0.979
  552    H    SER  85           HN       SER  85 100.457  -0.222   2.855
  553    HA   SER  85           HA       SER  85 101.736  -1.529   5.189
  554    HB2  SER  85           HB2      SER  85 100.407  -0.338   6.705
  555    HB3  SER  85           HB1      SER  85 100.958   0.894   5.578
  556    HG   SER  85           HG       SER  85  98.437  -0.323   5.851
  557    H    LEU  86           HN       LEU  86 100.668  -3.232   6.072
  558    HA   LEU  86           HA       LEU  86  98.858  -4.672   4.432
  559    HB2  LEU  86           HB2      LEU  86  99.879  -5.046   7.245
  560    HB3  LEU  86           HB1      LEU  86  98.656  -6.120   6.578
  561    HG   LEU  86           HG       LEU  86 101.061  -6.912   6.337
  562   HD11  LEU  86          HD11      LEU  86 100.679  -7.932   4.260
  563   HD12  LEU  86          HD12      LEU  86  99.825  -6.538   3.610
  564   HD13  LEU  86          HD13      LEU  86  99.051  -7.565   4.818
  565   HD21  LEU  86          HD21      LEU  86 101.918  -4.597   5.786
  566   HD22  LEU  86          HD22      LEU  86 101.192  -4.786   4.194
  567   HD23  LEU  86          HD23      LEU  86 102.481  -5.870   4.699
  568    H    HIS  87           HN       HIS  87  98.462  -2.657   7.286
  569    HA   HIS  87           HA       HIS  87  95.586  -3.201   7.394
  570    HB2  HIS  87           HB2      HIS  87  95.636  -1.891   9.445
  571    HB3  HIS  87           HB1      HIS  87  96.929  -3.092   9.478
  572    HD2  HIS  87           HD2      HIS  87  99.574  -2.003   9.170
  573    HE1  HIS  87           HE1      HIS  87  98.374   2.021   9.602
  574    HE2  HIS  87           HE2      HIS  87 100.374   0.457   9.515
  575    H    PHE  88           HN       PHE  88  94.002  -1.711   7.049
  576    HA   PHE  88           HA       PHE  88  94.708   0.560   5.348
  577    HB2  PHE  88           HB2      PHE  88  92.963  -0.723   4.421
  578    HB3  PHE  88           HB1      PHE  88  92.163  -0.926   5.974
  579    HD1  PHE  88           HD1      PHE  88  93.466   2.199   4.317
  580    HD2  PHE  88           HD2      PHE  88  90.034   0.025   5.726
  581    HE1  PHE  88           HE1      PHE  88  92.031   4.161   3.854
  582    HE2  PHE  88           HE2      PHE  88  88.601   1.991   5.259
  583    HZ   PHE  88           HZ       PHE  88  89.599   4.059   4.323
  584    H    ASP  89           HN       ASP  89  94.729   2.595   6.036
  585    HA   ASP  89           HA       ASP  89  93.305   3.309   8.529
  586    HB2  ASP  89           HB2      ASP  89  95.781   3.141   8.852
  587    HB3  ASP  89           HB1      ASP  89  95.978   4.409   7.645
  588    HA   PRO  90           HA       PRO  90  91.720   6.077   5.280
  589    HB2  PRO  90           HB2      PRO  90  89.741   7.307   6.760
  590    HB3  PRO  90           HB1      PRO  90  89.554   5.722   5.985
  591    HG2  PRO  90           HG2      PRO  90  90.125   6.382   8.832
  592    HG3  PRO  90           HG1      PRO  90  89.116   5.093   8.154
  593    HD2  PRO  90           HD2      PRO  90  91.644   4.672   9.124
  594    HD3  PRO  90           HD1      PRO  90  90.915   3.659   7.858
  595    H    GLU  91           HN       GLU  91  92.800   6.985   8.458
  596    HA   GLU  91           HA       GLU  91  92.823   9.799   8.085
  597    HB2  GLU  91           HB2      GLU  91  92.886   8.740  10.300
  598    HB3  GLU  91           HB1      GLU  91  94.492   8.106   9.949
  599    HG2  GLU  91           HG2      GLU  91  95.391  10.357   9.752
  600    HG3  GLU  91           HG1      GLU  91  93.781  11.052   9.937
  601    H    ALA  92           HN       ALA  92  94.925   7.298   6.920
  602    HA   ALA  92           HA       ALA  92  96.829   9.385   5.988
  603    HB1  ALA  92           HB1      ALA  92  97.924   8.162   7.761
  604    HB2  ALA  92           HB2      ALA  92  98.635   7.696   6.214
  605    HB3  ALA  92           HB3      ALA  92  97.489   6.622   7.017
  606    H    CYS  93           HN       CYS  93  95.147   6.371   5.292
  607    HA   CYS  93           HA       CYS  93  96.436   6.220   2.669
  608    HB2  CYS  93           HB2      CYS  93  95.426   4.288   4.473
  609    HB3  CYS  93           HB1      CYS  93  94.420   4.182   3.033
  610    H    SER  94           HN       SER  94  93.821   7.887   3.840
  611    HA   SER  94           HA       SER  94  92.077   7.445   1.556
  612    HB2  SER  94           HB2      SER  94  92.012   9.556   3.727
  613    HB3  SER  94           HB1      SER  94  90.775   9.328   2.498
  614    HG   SER  94           HG       SER  94  91.386   6.999   3.728
  615    H    PHE  95           HN       PHE  95  91.993   8.711  -0.272
  616    HA   PHE  95           HA       PHE  95  93.747  11.093  -0.400
  617    HB2  PHE  95           HB2      PHE  95  93.623   8.925  -2.500
  618    HB3  PHE  95           HB1      PHE  95  94.582  10.398  -2.575
  619    HD1  PHE  95           HD1      PHE  95  94.336   7.035  -1.209
  620    HD2  PHE  95           HD2      PHE  95  96.473  10.754  -0.974
  621    HE1  PHE  95           HE1      PHE  95  96.176   5.897  -0.010
  622    HE2  PHE  95           HE2      PHE  95  98.315   9.613   0.236
  623    HZ   PHE  95           HZ       PHE  95  98.171   7.186   0.713
  624    H    ARG  96           HN       ARG  96  93.036  12.709  -1.676
  625    HA   ARG  96           HA       ARG  96  90.287  12.495  -2.698
  626    HB2  ARG  96           HB2      ARG  96  90.777  14.338  -1.136
  627    HB3  ARG  96           HB1      ARG  96  92.021  14.932  -2.235
  628    HG2  ARG  96           HG2      ARG  96  90.380  15.360  -3.964
  629    HG3  ARG  96           HG1      ARG  96  89.111  14.590  -3.011
  630    HD2  ARG  96           HD2      ARG  96  89.305  16.316  -1.294
  631    HD3  ARG  96           HD1      ARG  96  90.655  17.054  -2.150
  632    HE   ARG  96           HE       ARG  96  89.130  18.050  -3.588
  633   HH11  ARG  96          HH11      ARG  96  87.027  18.606  -4.209
  634   HH12  ARG  96          HH12      ARG  96  85.688  17.645  -3.680
  635   HH21  ARG  96          HH21      ARG  96  87.649  15.439  -1.858
  636   HH22  ARG  96          HH22      ARG  96  86.039  15.859  -2.340
  637    H    GLU  97           HN       GLU  97  89.813  12.641  -4.834
  638    HA   GLU  97           HA       GLU  97  92.082  12.606  -6.688
  639    HB2  GLU  97           HB2      GLU  97  90.298  12.067  -8.385
  640    HB3  GLU  97           HB1      GLU  97  90.472  10.896  -7.081
  641    HG2  GLU  97           HG2      GLU  97  88.562  11.913  -5.901
  642    HG3  GLU  97           HG1      GLU  97  88.387  13.099  -7.194
  643    H    LEU  98           HN       LEU  98  92.730  14.250  -7.840
  644    HA   LEU  98           HA       LEU  98  91.023  16.671  -8.048
  645    HB2  LEU  98           HB2      LEU  98  94.029  16.472  -8.320
  646    HB3  LEU  98           HB1      LEU  98  93.065  17.940  -8.166
  647    HG   LEU  98           HG       LEU  98  93.351  15.779  -6.056
  648   HD11  LEU  98          HD11      LEU  98  94.502  18.563  -6.344
  649   HD12  LEU  98          HD12      LEU  98  95.383  17.044  -6.170
  650   HD13  LEU  98          HD13      LEU  98  94.468  17.695  -4.809
  651   HD21  LEU  98          HD21      LEU  98  91.195  16.696  -5.741
  652   HD22  LEU  98          HD22      LEU  98  91.714  18.313  -6.223
  653   HD23  LEU  98          HD23      LEU  98  92.209  17.655  -4.662
  654    H    LEU  99           HN       LEU  99  90.008  16.527  -9.994
  655    HA   LEU  99           HA       LEU  99  91.502  15.555 -12.337
  656    HB2  LEU  99           HB2      LEU  99  88.626  15.842 -11.637
  657    HB3  LEU  99           HB1      LEU  99  89.024  16.127 -13.327
  658    HG   LEU  99           HG       LEU  99  88.442  13.748 -12.828
  659   HD11  LEU  99          HD11      LEU  99  89.872  13.010 -14.445
  660   HD12  LEU  99          HD12      LEU  99  91.315  13.536 -13.578
  661   HD13  LEU  99          HD13      LEU  99  90.386  14.695 -14.531
  662   HD21  LEU  99          HD21      LEU  99  89.713  12.401 -11.392
  663   HD22  LEU  99          HD22      LEU  99  89.653  13.927 -10.509
  664   HD23  LEU  99          HD23      LEU  99  91.097  13.490 -11.424
  665    H    LEU 100           HN       LEU 100  92.082  16.677 -13.994
  666    HA   LEU 100           HA       LEU 100  91.690  19.617 -13.952
  667    HB2  LEU 100           HB2      LEU 100  93.889  18.015 -15.292
  668    HB3  LEU 100           HB1      LEU 100  93.789  19.772 -15.158
  669    HG   LEU 100           HG       LEU 100  94.010  17.841 -12.832
  670   HD11  LEU 100          HD11      LEU 100  96.142  17.891 -13.847
  671   HD12  LEU 100          HD12      LEU 100  96.250  19.117 -12.583
  672   HD13  LEU 100          HD13      LEU 100  96.004  19.600 -14.261
  673   HD21  LEU 100          HD21      LEU 100  92.858  19.682 -11.954
  674   HD22  LEU 100          HD22      LEU 100  93.644  20.826 -13.043
  675   HD23  LEU 100          HD23      LEU 100  94.532  20.152 -11.677
  676    H    GLU 101           HN       GLU 101  91.084  20.633 -15.898
  677    HA   GLU 101           HA       GLU 101  89.304  19.256 -17.556
  678    HB2  GLU 101           HB2      GLU 101  90.888  21.769 -18.157
  679    HB3  GLU 101           HB1      GLU 101  89.468  21.217 -19.054
  680    HG2  GLU 101           HG2      GLU 101  88.127  21.320 -16.994
  681    HG3  GLU 101           HG1      GLU 101  89.542  21.869 -16.101
  682    H    ASP 102           HN       ASP 102  92.727  19.572 -17.629
  683    HA   ASP 102           HA       ASP 102  93.183  18.837 -20.339
  684    HB2  ASP 102           HB2      ASP 102  94.863  19.936 -18.846
  685    HB3  ASP 102           HB1      ASP 102  95.012  18.416 -17.966
  686    H    GLY 103           HN       GLY 103  91.944  17.076 -17.732
  687    HA2  GLY 103           HA2      GLY 103  91.167  14.867 -17.829
  688    HA3  GLY 103           HA1      GLY 103  92.185  14.582 -19.236
  689    H    TYR 104           HN       TYR 104  93.879  16.152 -16.773
  690    HA   TYR 104           HA       TYR 104  95.338  13.684 -16.134
  691    HB2  TYR 104           HB2      TYR 104  95.893  16.628 -15.804
  692    HB3  TYR 104           HB1      TYR 104  96.812  15.447 -14.872
  693    HD1  TYR 104           HD1      TYR 104  95.752  16.250 -18.380
  694    HD2  TYR 104           HD2      TYR 104  98.652  14.345 -15.849
  695    HE1  TYR 104           HE1      TYR 104  97.175  15.786 -20.357
  696    HE2  TYR 104           HE2      TYR 104 100.074  13.880 -17.824
  697    HH   TYR 104           HH       TYR 104  99.741  13.611 -20.300
  698    H    ASN 105           HN       ASN 105  95.834  13.151 -13.900
  699    HA   ASN 105           HA       ASN 105  93.870  14.190 -11.945
  700    HB2  ASN 105           HB2      ASN 105  93.058  12.049 -12.937
  701    HB3  ASN 105           HB1      ASN 105  94.521  11.270 -12.338
  702   HD21  ASN 105          HD21      ASN 105  91.962  10.441 -11.412
  703   HD22  ASN 105          HD22      ASN 105  91.811  10.869  -9.778
  704    H    VAL 106           HN       VAL 106  94.639  14.510  -9.954
  705    HA   VAL 106           HA       VAL 106  97.307  13.412  -9.260
  706    HB   VAL 106           HB       VAL 106  96.365  16.106  -8.280
  707   HG11  VAL 106          HG11      VAL 106  98.728  16.469  -7.942
  708   HG12  VAL 106          HG12      VAL 106  99.134  15.007  -8.843
  709   HG13  VAL 106          HG13      VAL 106  98.334  14.884  -7.274
  710   HG21  VAL 106          HG21      VAL 106  97.618  15.426 -10.947
  711   HG22  VAL 106          HG22      VAL 106  97.848  17.006 -10.199
  712   HG23  VAL 106          HG23      VAL 106  96.227  16.458 -10.620
  713    H    TYR 107           HN       TYR 107  97.628  13.091  -6.971
  714    HA   TYR 107           HA       TYR 107  95.078  12.714  -5.488
  715    HB2  TYR 107           HB2      TYR 107  97.662  11.152  -5.293
  716    HB3  TYR 107           HB1      TYR 107  96.212  10.870  -4.328
  717    HD1  TYR 107           HD1      TYR 107  97.814  10.407  -7.566
  718    HD2  TYR 107           HD2      TYR 107  94.093  10.123  -5.434
  719    HE1  TYR 107           HE1      TYR 107  96.883   8.997  -9.380
  720    HE2  TYR 107           HE2      TYR 107  93.163   8.712  -7.249
  721    HH   TYR 107           HH       TYR 107  94.182   8.562 -10.162
  722    H    GLN 108           HN       GLN 108  94.945  13.276  -3.387
  723    HA   GLN 108           HA       GLN 108  97.248  14.414  -1.982
  724    HB2  GLN 108           HB2      GLN 108  96.320  16.361  -3.134
  725    HB3  GLN 108           HB1      GLN 108  94.705  15.966  -2.547
  726    HG2  GLN 108           HG2      GLN 108  95.388  16.339  -0.246
  727    HG3  GLN 108           HG1      GLN 108  97.064  16.572  -0.742
  728   HE21  GLN 108          HE21      GLN 108  95.156  18.495   0.613
  729   HE22  GLN 108          HE22      GLN 108  95.118  19.861  -0.394
  730    H    SER 109           HN       SER 109  97.122  14.033   0.195
  731    HA   SER 109           HA       SER 109  95.155  12.228   1.166
  732    HB2  SER 109           HB2      SER 109  97.389  12.298   2.141
  733    HB3  SER 109           HB1      SER 109  97.140  13.961   2.657
  734    HG   SER 109           HG       SER 109  95.718  11.650   3.501
  735    H    GLU 110           HN       GLU 110  93.232  12.582   2.099
  736    HA   GLU 110           HA       GLU 110  92.200  15.290   2.201
  737    HB2  GLU 110           HB2      GLU 110  90.069  14.225   2.572
  738    HB3  GLU 110           HB1      GLU 110  90.909  13.354   1.294
  739    HG2  GLU 110           HG2      GLU 110  90.131  11.611   2.653
  740    HG3  GLU 110           HG1      GLU 110  91.779  11.831   3.227
  741    H    ALA 111           HN       ALA 111  93.466  12.949   4.399
  742    HA   ALA 111           HA       ALA 111  92.144  13.816   6.754
  743    HB1  ALA 111           HB1      ALA 111  94.752  12.356   6.367
  744    HB2  ALA 111           HB2      ALA 111  93.166  11.637   6.655
  745    HB3  ALA 111           HB3      ALA 111  93.955  12.571   7.926
  746    H    HIS 112           HN       HIS 112  95.521  14.426   5.711
  747    HA   HIS 112           HA       HIS 112  95.583  16.737   7.564
  748    HB2  HIS 112           HB2      HIS 112  97.756  14.975   6.443
  749    HB3  HIS 112           HB1      HIS 112  98.082  16.480   7.292
  750    HD2  HIS 112           HD2      HIS 112  97.053  12.820   8.101
  751    HE1  HIS 112           HE1      HIS 112  97.029  14.967  11.736
  752    HE2  HIS 112           HE2      HIS 112  96.885  12.654  10.704
  753    H    GLY 113           HN       GLY 113  95.448  15.967   4.249
  754    HA2  GLY 113           HA2      GLY 113  95.294  17.501   2.484
  755    HA3  GLY 113           HA1      GLY 113  95.872  18.762   3.559
  756    H    LEU 114           HN       LEU 114  97.751  15.906   3.632
  757    HA   LEU 114           HA       LEU 114 100.043  17.252   2.601
  758    HB2  LEU 114           HB2      LEU 114  99.533  14.369   3.343
  759    HB3  LEU 114           HB1      LEU 114 101.105  14.950   2.797
  760    HG   LEU 114           HG       LEU 114  99.732  16.391   5.062
  761   HD11  LEU 114          HD11      LEU 114 100.708  14.877   6.692
  762   HD12  LEU 114          HD12      LEU 114 101.414  13.893   5.412
  763   HD13  LEU 114          HD13      LEU 114  99.665  13.948   5.619
  764   HD21  LEU 114          HD21      LEU 114 101.941  17.102   3.906
  765   HD22  LEU 114          HD22      LEU 114 102.665  15.712   4.714
  766   HD23  LEU 114          HD23      LEU 114 101.948  17.012   5.665
  767    HA   PRO 115           HA       PRO 115  99.325  16.104  -1.685
  768    HB2  PRO 115           HB2      PRO 115 101.697  16.819  -2.776
  769    HB3  PRO 115           HB1      PRO 115 100.544  18.033  -2.176
  770    HG2  PRO 115           HG2      PRO 115 102.980  16.922  -0.835
  771    HG3  PRO 115           HG1      PRO 115 102.441  18.608  -0.964
  772    HD2  PRO 115           HD2      PRO 115 101.995  17.086   1.271
  773    HD3  PRO 115           HD1      PRO 115 100.896  18.389   0.761
  774    H    LEU 116           HN       LEU 116  99.973  14.452  -3.217
  775    HA   LEU 116           HA       LEU 116 101.586  12.304  -1.979
  776    HB2  LEU 116           HB2      LEU 116  99.176  11.909  -2.745
  777    HB3  LEU 116           HB1      LEU 116  99.776  12.060  -4.392
  778    HG   LEU 116           HG       LEU 116 101.195  10.152  -2.534
  779   HD11  LEU 116          HD11      LEU 116  99.632   8.358  -3.072
  780   HD12  LEU 116          HD12      LEU 116  98.608   9.489  -3.953
  781   HD13  LEU 116          HD13      LEU 116  98.805   9.655  -2.211
  782   HD21  LEU 116          HD21      LEU 116 101.310   8.836  -4.700
  783   HD22  LEU 116          HD22      LEU 116 102.157  10.377  -4.731
  784   HD23  LEU 116          HD23      LEU 116 100.582  10.223  -5.506
  785    H    HIS 117           HN       HIS 117 103.555  11.956  -2.695
  786    HA   HIS 117           HA       HIS 117 104.246  12.275  -5.509
  787    HB2  HIS 117           HB2      HIS 117 106.183  13.757  -4.965
  788    HB3  HIS 117           HB1      HIS 117 104.622  14.535  -4.695
  789    HD2  HIS 117           HD2      HIS 117 107.719  13.357  -2.627
  790    HE1  HIS 117           HE1      HIS 117 104.902  14.946   0.087
  791    HE2  HIS 117           HE2      HIS 117 107.275  14.076  -0.155
  792    H    LEU 118           HN       LEU 118 106.265  11.260  -6.035
  793    HA   LEU 118           HA       LEU 118 106.767   8.899  -4.648
  794    HB2  LEU 118           HB2      LEU 118 108.589  10.417  -6.524
  795    HB3  LEU 118           HB1      LEU 118 108.840   8.750  -6.012
  796    HG   LEU 118           HG       LEU 118 106.395   9.772  -7.496
  797   HD11  LEU 118          HD11      LEU 118 107.284   8.583  -9.419
  798   HD12  LEU 118          HD12      LEU 118 108.657   8.005  -8.467
  799   HD13  LEU 118          HD13      LEU 118 108.504   9.723  -8.845
  800   HD21  LEU 118          HD21      LEU 118 107.146   7.138  -6.262
  801   HD22  LEU 118          HD22      LEU 118 106.281   7.111  -7.798
  802   HD23  LEU 118          HD23      LEU 118 105.564   7.906  -6.398
  803    HA   PRO 119           HA       PRO 119 109.301   9.990  -1.156
  804    HB2  PRO 119           HB2      PRO 119 111.293   7.956  -2.098
  805    HB3  PRO 119           HB1      PRO 119 110.526   8.127  -0.506
  806    HG2  PRO 119           HG2      PRO 119 109.774   6.224  -2.231
  807    HG3  PRO 119           HG1      PRO 119 108.615   7.029  -1.161
  808    HD2  PRO 119           HD2      PRO 119 108.998   7.371  -4.107
  809    HD3  PRO 119           HD1      PRO 119 107.532   7.552  -3.116
  810    H    GLY 120           HN       GLY 120 111.012  11.366  -0.713
  811    HA2  GLY 120           HA2      GLY 120 113.172  11.768  -2.610
  812    HA3  GLY 120           HA1      GLY 120 112.027  13.102  -2.501
  813    H    ASN 121           HN       ASN 121 113.778  14.400  -1.731
  814    HA   ASN 121           HA       ASN 121 114.851  15.554  -0.076
  815    HB2  ASN 121           HB2      ASN 121 113.426  13.770   1.907
  816    HB3  ASN 121           HB1      ASN 121 114.130  15.355   2.199
  817   HD21  ASN 121          HD21      ASN 121 111.314  13.692   0.959
  818   HD22  ASN 121          HD22      ASN 121 110.420  15.084   0.587
  819    H    LYS 122           HN       LYS 122 114.807  12.036   0.264
  820    HA   LYS 122           HA       LYS 122 117.118  11.774   1.860
  821    HB2  LYS 122           HB2      LYS 122 115.986   9.906  -0.240
  822    HB3  LYS 122           HB1      LYS 122 117.231   9.469   0.925
  823    HG2  LYS 122           HG2      LYS 122 114.479  10.484   1.698
  824    HG3  LYS 122           HG1      LYS 122 114.899   8.775   1.588
  825    HD2  LYS 122           HD2      LYS 122 116.850   9.404   3.221
  826    HD3  LYS 122           HD1      LYS 122 115.884  10.843   3.552
  827    HE2  LYS 122           HE2      LYS 122 115.208   7.961   4.077
  828    HE3  LYS 122           HE1      LYS 122 115.092   9.343   5.167
  829    HZ1  LYS 122           HZ1      LYS 122 112.938   8.481   4.215
  830    HZ2  LYS 122           HZ2      LYS 122 113.445   9.108   2.720
  831    HZ3  LYS 122           HZ3      LYS 122 113.212  10.146   4.045
  832    H    SER 123           HN       SER 123 116.641  11.999  -1.629
  833    HA   SER 123           HA       SER 123 119.393  11.589  -2.300
  834    HB2  SER 123           HB2      SER 123 116.880  12.273  -3.715
  835    HB3  SER 123           HB1      SER 123 118.350  12.849  -4.490
  836    HG   SER 123           HG       SER 123 117.581  10.621  -4.969
  837    HA   PRO 124           HA       PRO 124 121.085  15.599  -1.619
  838    HB2  PRO 124           HB2      PRO 124 122.538  16.043  -3.950
  839    HB3  PRO 124           HB1      PRO 124 123.081  15.006  -2.618
  840    HG2  PRO 124           HG2      PRO 124 121.759  14.243  -5.187
  841    HG3  PRO 124           HG1      PRO 124 123.104  13.458  -4.336
  842    HD2  PRO 124           HD2      PRO 124 120.601  12.467  -4.200
  843    HD3  PRO 124           HD1      PRO 124 121.692  12.400  -2.801
  844    H    HIS 125           HN       HIS 125 120.755  17.823  -2.108
  845    HA   HIS 125           HA       HIS 125 118.317  18.477  -3.298
  846    HB2  HIS 125           HB2      HIS 125 119.125  20.832  -3.216
  847    HB3  HIS 125           HB1      HIS 125 119.343  19.966  -1.697
  848    HD2  HIS 125           HD2      HIS 125 121.494  21.767  -4.366
  849    HE1  HIS 125           HE1      HIS 125 124.160  19.910  -1.667
  850    HE2  HIS 125           HE2      HIS 125 123.983  21.546  -3.602
  851    H    ARG 126           HN       ARG 126 117.767  18.251  -5.333
  852    HA   ARG 126           HA       ARG 126 119.321  19.504  -7.430
  853    HB2  ARG 126           HB2      ARG 126 120.312  17.200  -7.222
  854    HB3  ARG 126           HB1      ARG 126 118.724  16.539  -7.601
  855    HG2  ARG 126           HG2      ARG 126 119.762  16.561  -9.702
  856    HG3  ARG 126           HG1      ARG 126 118.858  18.070  -9.725
  857    HD2  ARG 126           HD2      ARG 126 120.872  19.318  -9.096
  858    HD3  ARG 126           HD1      ARG 126 121.780  17.818  -8.947
  859    HE   ARG 126           HE       ARG 126 120.807  17.795 -11.520
  860   HH11  ARG 126          HH11      ARG 126 121.954  18.683 -13.271
  861   HH12  ARG 126          HH12      ARG 126 123.149  19.904 -12.987
  862   HH21  ARG 126          HH21      ARG 126 122.685  19.931  -9.552
  863   HH22  ARG 126          HH22      ARG 126 123.568  20.608 -10.880
  864    H    ASP 127           HN       ASP 127 116.938  16.882  -7.527
  865    HA   ASP 127           HA       ASP 127 114.844  18.775  -8.376
  866    HB2  ASP 127           HB2      ASP 127 115.615  16.283  -9.908
  867    HB3  ASP 127           HB1      ASP 127 114.251  17.339 -10.274
  868    HA   PRO 128           HA       PRO 128 113.291  15.525  -5.480
  869    HB2  PRO 128           HB2      PRO 128 111.947  17.135  -3.763
  870    HB3  PRO 128           HB1      PRO 128 113.708  16.917  -3.674
  871    HG2  PRO 128           HG2      PRO 128 112.142  19.177  -4.832
  872    HG3  PRO 128           HG1      PRO 128 113.636  19.215  -3.880
  873    HD2  PRO 128           HD2      PRO 128 113.541  19.429  -6.646
  874    HD3  PRO 128           HD1      PRO 128 114.972  18.886  -5.742
  875    H    ALA 129           HN       ALA 129 111.646  18.106  -7.187
  876    HA   ALA 129           HA       ALA 129 109.569  16.365  -8.038
  877    HB1  ALA 129           HB1      ALA 129 108.889  18.396  -5.908
  878    HB2  ALA 129           HB2      ALA 129 108.668  16.647  -5.829
  879    HB3  ALA 129           HB3      ALA 129 107.685  17.612  -6.931
  880    HA   PRO 130           HA       PRO 130 109.511  19.652 -11.054
  881    HB2  PRO 130           HB2      PRO 130 107.222  19.058 -12.423
  882    HB3  PRO 130           HB1      PRO 130 108.693  18.070 -12.549
  883    HG2  PRO 130           HG2      PRO 130 106.226  17.596 -10.926
  884    HG3  PRO 130           HG1      PRO 130 107.187  16.446 -11.874
  885    HD2  PRO 130           HD2      PRO 130 107.414  16.683  -9.146
  886    HD3  PRO 130           HD1      PRO 130 108.756  16.163 -10.190
  887    H    ARG 131           HN       ARG 131 109.152  21.245  -9.289
  888    HA   ARG 131           HA       ARG 131 107.933  22.862  -8.151
  889    HB2  ARG 131           HB2      ARG 131 108.269  23.706 -10.496
  890    HB3  ARG 131           HB1      ARG 131 106.649  23.123 -10.875
  891    HG2  ARG 131           HG2      ARG 131 105.764  24.543  -9.005
  892    HG3  ARG 131           HG1      ARG 131 107.384  25.212  -8.804
  893    HD2  ARG 131           HD2      ARG 131 105.740  25.322 -11.349
  894    HD3  ARG 131           HD1      ARG 131 105.984  26.664 -10.236
  895    HE   ARG 131           HE       ARG 131 108.526  25.907 -10.887
  896   HH11  ARG 131          HH11      ARG 131 109.656  26.758 -12.668
  897   HH12  ARG 131          HH12      ARG 131 108.778  27.376 -14.025
  898   HH21  ARG 131          HH21      ARG 131 105.665  26.686 -12.664
  899   HH22  ARG 131          HH22      ARG 131 106.515  27.336 -14.024
  900    H    GLY 132           HN       GLY 132 106.738  21.380  -6.783
  901    HA2  GLY 132           HA2      GLY 132 104.616  21.262  -5.733
  902    HA3  GLY 132           HA1      GLY 132 103.841  21.541  -7.287
  903    HA   PRO 133           HA       PRO 133 103.546  17.024  -6.160
  904    HB2  PRO 133           HB2      PRO 133 100.775  17.327  -7.162
  905    HB3  PRO 133           HB1      PRO 133 101.343  16.704  -5.603
  906    HG2  PRO 133           HG2      PRO 133 100.108  19.105  -5.875
  907    HG3  PRO 133           HG1      PRO 133 101.311  18.772  -4.615
  908    HD2  PRO 133           HD2      PRO 133 101.627  20.318  -7.164
  909    HD3  PRO 133           HD1      PRO 133 102.378  20.591  -5.576
  910    H    ALA 134           HN       ALA 134 103.527  15.253  -7.570
  911    HA   ALA 134           HA       ALA 134 103.996  15.895 -10.366
  912    HB1  ALA 134           HB1      ALA 134 105.401  14.264  -9.079
  913    HB2  ALA 134           HB2      ALA 134 104.724  13.607 -10.569
  914    HB3  ALA 134           HB3      ALA 134 104.003  13.189  -9.014
  915    H    ARG 135           HN       ARG 135 102.596  15.610 -12.000
  916    HA   ARG 135           HA       ARG 135  99.870  14.881 -11.422
  917    HB2  ARG 135           HB2      ARG 135 101.255  15.439 -14.059
  918    HB3  ARG 135           HB1      ARG 135  99.518  15.256 -13.842
  919    HG2  ARG 135           HG2      ARG 135  99.540  17.538 -13.564
  920    HG3  ARG 135           HG1      ARG 135 100.057  17.159 -11.924
  921    HD2  ARG 135           HD2      ARG 135 102.451  17.242 -12.787
  922    HD3  ARG 135           HD1      ARG 135 101.800  17.892 -14.290
  923    HE   ARG 135           HE       ARG 135 102.005  19.279 -11.752
  924   HH11  ARG 135          HH11      ARG 135 101.368  21.446 -11.770
  925   HH12  ARG 135          HH12      ARG 135 100.502  22.084 -13.126
  926   HH21  ARG 135          HH21      ARG 135 100.496  19.080 -14.864
  927   HH22  ARG 135          HH22      ARG 135 100.007  20.741 -14.882
  928    H    PHE 136           HN       PHE 136  98.936  12.950 -11.601
  929    HA   PHE 136           HA       PHE 136 100.488  10.739 -12.832
  930    HB2  PHE 136           HB2      PHE 136  98.771  10.941 -10.390
  931    HB3  PHE 136           HB1      PHE 136  98.704   9.422 -11.285
  932    HD1  PHE 136           HD1      PHE 136 100.572  11.365  -8.900
  933    HD2  PHE 136           HD2      PHE 136 100.936   8.298 -11.887
  934    HE1  PHE 136           HE1      PHE 136 102.721  10.632  -7.893
  935    HE2  PHE 136           HE2      PHE 136 103.081   7.575 -10.880
  936    HZ   PHE 136           HZ       PHE 136 103.971   8.738  -8.886
  937    H    LEU 137           HN       LEU 137  99.473   9.273 -14.135
  938    HA   LEU 137           HA       LEU 137  96.802  10.023 -15.168
  939    HB2  LEU 137           HB2      LEU 137  99.365   9.367 -16.540
  940    HB3  LEU 137           HB1      LEU 137  97.906   8.714 -17.275
  941    HG   LEU 137           HG       LEU 137  98.135  11.635 -16.502
  942   HD11  LEU 137          HD11      LEU 137  98.584  11.908 -19.049
  943   HD12  LEU 137          HD12      LEU 137  99.101  10.224 -18.989
  944   HD13  LEU 137          HD13      LEU 137  99.930  11.436 -18.014
  945   HD21  LEU 137          HD21      LEU 137  96.287   9.983 -18.240
  946   HD22  LEU 137          HD22      LEU 137  96.460  11.713 -18.514
  947   HD23  LEU 137          HD23      LEU 137  95.874  11.124 -16.964
  948    HA   PRO 138           HA       PRO 138  96.353   5.725 -13.726
  949    HB2  PRO 138           HB2      PRO 138  93.650   5.643 -13.510
  950    HB3  PRO 138           HB1      PRO 138  94.664   6.484 -12.322
  951    HG2  PRO 138           HG2      PRO 138  93.059   7.611 -14.571
  952    HG3  PRO 138           HG1      PRO 138  93.295   8.238 -12.929
  953    HD2  PRO 138           HD2      PRO 138  94.672   9.157 -15.161
  954    HD3  PRO 138           HD1      PRO 138  95.260   9.316 -13.491
  955    H    LEU 139           HN       LEU 139  96.758   4.244 -15.300
  956    HA   LEU 139           HA       LEU 139  95.245   4.329 -17.805
  957    HB2  LEU 139           HB2      LEU 139  97.321   2.228 -17.325
  958    HB3  LEU 139           HB1      LEU 139  96.971   3.146 -18.785
  959    HG   LEU 139           HG       LEU 139  98.327   4.257 -16.303
  960   HD11  LEU 139          HD11      LEU 139 100.301   4.401 -17.863
  961   HD12  LEU 139          HD12      LEU 139  99.388   3.425 -19.014
  962   HD13  LEU 139          HD13      LEU 139  99.829   2.752 -17.444
  963   HD21  LEU 139          HD21      LEU 139  97.866   5.468 -19.043
  964   HD22  LEU 139          HD22      LEU 139  98.729   6.225 -17.706
  965   HD23  LEU 139          HD23      LEU 139  96.998   5.924 -17.576
  966    HA   PRO 140           HA       PRO 140  92.387   1.128 -16.561
  967    HB2  PRO 140           HB2      PRO 140  92.953  -0.220 -19.179
  968    HB3  PRO 140           HB1      PRO 140  91.397   0.261 -18.476
  969    HG2  PRO 140           HG2      PRO 140  92.540   1.625 -20.491
  970    HG3  PRO 140           HG1      PRO 140  91.566   2.418 -19.242
  971    HD2  PRO 140           HD2      PRO 140  94.526   2.460 -19.624
  972    HD3  PRO 140           HD1      PRO 140  93.454   3.667 -18.880
  973    H    GLY 141           HN       GLY 141  92.751  -0.638 -15.281
  974    HA2  GLY 141           HA2      GLY 141  95.337  -1.829 -15.170
  975    HA3  GLY 141           HA1      GLY 141  93.939  -2.328 -14.248
  Start of MODEL    8
    1    H1   GLY  13           HT1      GLY  13  80.126   0.276 -11.513
    2    H2   GLY  13           HT2      GLY  13  80.370   1.295 -10.175
    3    H3   GLY  13           HT3      GLY  13  79.968  -0.338  -9.940
    4    HA2  GLY  13           HA2      GLY  13  82.067  -1.019 -10.943
    5    HA3  GLY  13           HA1      GLY  13  82.487   0.684 -11.134
    6    H    GLN  14           HN       GLN  14  81.823   1.885  -8.873
    7    HA   GLN  14           HA       GLN  14  82.504   2.303  -6.727
    8    HB2  GLN  14           HB2      GLN  14  82.254  -0.700  -6.452
    9    HB3  GLN  14           HB1      GLN  14  82.389   0.445  -5.118
   10    HG2  GLN  14           HG2      GLN  14  80.059   0.033  -5.351
   11    HG3  GLN  14           HG1      GLN  14  80.329   1.604  -6.105
   12   HE21  GLN  14          HE21      GLN  14  78.827   1.611  -7.823
   13   HE22  GLN  14          HE22      GLN  14  78.732   0.396  -9.003
   14    H    VAL  15           HN       VAL  15  84.064  -0.842  -7.334
   15    HA   VAL  15           HA       VAL  15  86.692   0.436  -6.827
   16    HB   VAL  15           HB       VAL  15  86.265  -1.081  -5.051
   17   HG11  VAL  15          HG11      VAL  15  85.542  -3.122  -7.174
   18   HG12  VAL  15          HG12      VAL  15  84.390  -2.287  -6.132
   19   HG13  VAL  15          HG13      VAL  15  85.558  -3.409  -5.435
   20   HG21  VAL  15          HG21      VAL  15  88.518  -1.250  -6.271
   21   HG22  VAL  15          HG22      VAL  15  87.889  -2.717  -7.018
   22   HG23  VAL  15          HG23      VAL  15  88.079  -2.634  -5.268
   23    H    ARG  16           HN       ARG  16  88.220   0.231  -8.297
   24    HA   ARG  16           HA       ARG  16  87.880  -1.685 -10.531
   25    HB2  ARG  16           HB2      ARG  16  88.549   1.258 -10.805
   26    HB3  ARG  16           HB1      ARG  16  88.541   0.080 -12.118
   27    HG2  ARG  16           HG2      ARG  16  86.145  -0.350 -11.735
   28    HG3  ARG  16           HG1      ARG  16  86.145   0.809 -10.405
   29    HD2  ARG  16           HD2      ARG  16  86.916   1.510 -13.248
   30    HD3  ARG  16           HD1      ARG  16  85.304   1.758 -12.580
   31    HE   ARG  16           HE       ARG  16  87.194   2.969 -10.867
   32   HH11  ARG  16          HH11      ARG  16  87.492   5.216 -10.975
   33   HH12  ARG  16          HH12      ARG  16  86.996   6.083 -12.390
   34   HH21  ARG  16          HH21      ARG  16  85.833   3.261 -14.035
   35   HH22  ARG  16          HH22      ARG  16  86.055   4.976 -14.121
   36    H    GLN  17           HN       GLN  17  89.817  -2.282 -11.575
   37    HA   GLN  17           HA       GLN  17  92.258  -1.801  -9.972
   38    HB2  GLN  17           HB2      GLN  17  93.053  -3.889 -11.253
   39    HB3  GLN  17           HB1      GLN  17  91.844  -4.115  -9.993
   40    HG2  GLN  17           HG2      GLN  17  90.060  -4.095 -11.676
   41    HG3  GLN  17           HG1      GLN  17  91.248  -3.840 -12.949
   42   HE21  GLN  17          HE21      GLN  17  92.915  -5.637 -13.219
   43   HE22  GLN  17          HE22      GLN  17  92.456  -7.223 -12.823
   44    H    ARG  18           HN       ARG  18  93.696  -0.437 -10.817
   45    HA   ARG  18           HA       ARG  18  94.146  -0.440 -13.732
   46    HB2  ARG  18           HB2      ARG  18  93.554   2.062 -12.140
   47    HB3  ARG  18           HB1      ARG  18  94.060   2.011 -13.823
   48    HG2  ARG  18           HG2      ARG  18  91.997   0.487 -14.187
   49    HG3  ARG  18           HG1      ARG  18  91.458   1.073 -12.614
   50    HD2  ARG  18           HD2      ARG  18  92.148   2.790 -15.013
   51    HD3  ARG  18           HD1      ARG  18  90.530   2.482 -14.397
   52    HE   ARG  18           HE       ARG  18  92.635   4.010 -12.968
   53   HH11  ARG  18          HH11      ARG  18  91.861   5.603 -11.597
   54   HH12  ARG  18          HH12      ARG  18  90.157   5.813 -11.376
   55   HH21  ARG  18          HH21      ARG  18  89.278   3.239 -13.511
   56   HH22  ARG  18          HH22      ARG  18  88.708   4.488 -12.462
   57    H    TYR  19           HN       TYR  19  96.105   0.618 -14.385
   58    HA   TYR  19           HA       TYR  19  98.242   0.403 -12.371
   59    HB2  TYR  19           HB2      TYR  19  98.281   0.798 -15.372
   60    HB3  TYR  19           HB1      TYR  19  99.718   0.785 -14.373
   61    HD1  TYR  19           HD1      TYR  19  96.768  -1.291 -15.344
   62    HD2  TYR  19           HD2      TYR  19 100.763  -1.241 -13.754
   63    HE1  TYR  19           HE1      TYR  19  96.874  -3.765 -15.509
   64    HE2  TYR  19           HE2      TYR  19 100.868  -3.703 -13.916
   65    HH   TYR  19           HH       TYR  19  98.211  -5.562 -15.375
   66    H    LEU  20           HN       LEU  20  99.459   2.207 -11.688
   67    HA   LEU  20           HA       LEU  20  98.356   4.837 -12.470
   68    HB2  LEU  20           HB2      LEU  20  98.866   3.812  -9.996
   69    HB3  LEU  20           HB1      LEU  20 100.389   4.636 -10.296
   70    HG   LEU  20           HG       LEU  20  98.874   6.655 -11.005
   71   HD11  LEU  20          HD11      LEU  20  96.951   4.953  -9.401
   72   HD12  LEU  20          HD12      LEU  20  96.716   5.587 -11.030
   73   HD13  LEU  20          HD13      LEU  20  96.739   6.684  -9.651
   74   HD21  LEU  20          HD21      LEU  20 100.280   6.794  -9.059
   75   HD22  LEU  20          HD22      LEU  20  99.230   5.705  -8.154
   76   HD23  LEU  20          HD23      LEU  20  98.673   7.327  -8.564
   77    H    TYR  21           HN       TYR  21  99.369   5.824 -14.097
   78    HA   TYR  21           HA       TYR  21 102.330   5.572 -14.336
   79    HB2  TYR  21           HB2      TYR  21 101.296   4.367 -16.131
   80    HB3  TYR  21           HB1      TYR  21 100.179   5.686 -16.455
   81    HD1  TYR  21           HD1      TYR  21 103.576   4.417 -16.904
   82    HD2  TYR  21           HD2      TYR  21 100.973   7.786 -17.498
   83    HE1  TYR  21           HE1      TYR  21 105.198   5.388 -18.504
   84    HE2  TYR  21           HE2      TYR  21 102.601   8.758 -19.098
   85    HH   TYR  21           HH       TYR  21 104.514   7.654 -20.670
   86    H    THR  22           HN       THR  22 103.508   7.415 -14.840
   87    HA   THR  22           HA       THR  22 102.031   9.954 -15.178
   88    HB   THR  22           HB       THR  22 102.581   9.973 -12.849
   89    HG1  THR  22           HG1      THR  22 104.801  11.355 -13.699
   90   HG21  THR  22          HG21      THR  22 105.023   9.687 -12.199
   91   HG22  THR  22          HG22      THR  22 105.270   9.013 -13.809
   92   HG23  THR  22          HG23      THR  22 104.174   8.222 -12.685
   93    H    SER  23           HN       SER  23 103.134  11.549 -16.327
   94    HA   SER  23           HA       SER  23 105.474  10.567 -17.866
   95    HB2  SER  23           HB2      SER  23 103.559  11.007 -19.279
   96    HB3  SER  23           HB1      SER  23 103.335  12.597 -18.553
   97    HG   SER  23           HG       SER  23 104.516  13.062 -20.287
   98    H    GLY  24           HN       GLY  24 107.336  11.420 -17.258
   99    HA2  GLY  24           HA2      GLY  24 107.420  14.019 -15.882
  100    HA3  GLY  24           HA1      GLY  24 108.725  12.837 -15.972
  101    HA   PRO  25           HA       PRO  25 109.688  16.252 -18.978
  102    HB2  PRO  25           HB2      PRO  25 112.459  15.480 -18.190
  103    HB3  PRO  25           HB1      PRO  25 111.717  17.091 -18.257
  104    HG2  PRO  25           HG2      PRO  25 112.237  15.861 -15.926
  105    HG3  PRO  25           HG1      PRO  25 110.830  16.919 -16.140
  106    HD2  PRO  25           HD2      PRO  25 110.939  13.922 -16.050
  107    HD3  PRO  25           HD1      PRO  25 109.682  15.023 -15.441
  108    H    HIS  26           HN       HIS  26 110.367  15.965 -21.113
  109    HA   HIS  26           HA       HIS  26 110.261  13.410 -22.226
  110    HB2  HIS  26           HB2      HIS  26 111.386  14.568 -24.235
  111    HB3  HIS  26           HB1      HIS  26 109.840  15.213 -23.683
  112    HD2  HIS  26           HD2      HIS  26 113.494  16.398 -24.112
  113    HE1  HIS  26           HE1      HIS  26 111.465  19.412 -21.961
  114    HE2  HIS  26           HE2      HIS  26 113.607  18.843 -23.202
  115    H    GLY  27           HN       GLY  27 111.630  11.775 -22.036
  116    HA2  GLY  27           HA2      GLY  27 114.489  12.181 -22.386
  117    HA3  GLY  27           HA1      GLY  27 114.010  11.584 -20.800
  118    H    LEU  28           HN       LEU  28 115.094   9.617 -21.121
  119    HA   LEU  28           HA       LEU  28 114.465   7.923 -23.371
  120    HB2  LEU  28           HB2      LEU  28 116.694   7.959 -22.268
  121    HB3  LEU  28           HB1      LEU  28 115.966   7.263 -20.827
  122    HG   LEU  28           HG       LEU  28 115.078   5.437 -22.614
  123   HD11  LEU  28          HD11      LEU  28 116.641   5.036 -24.394
  124   HD12  LEU  28          HD12      LEU  28 117.725   6.296 -23.804
  125   HD13  LEU  28          HD13      LEU  28 116.162   6.730 -24.498
  126   HD21  LEU  28          HD21      LEU  28 116.379   4.766 -20.723
  127   HD22  LEU  28          HD22      LEU  28 117.815   5.591 -21.334
  128   HD23  LEU  28          HD23      LEU  28 117.221   4.141 -22.143
  129    H    SER  29           HN       SER  29 114.669   6.150 -20.498
  130    HA   SER  29           HA       SER  29 112.263   4.779 -20.927
  131    HB2  SER  29           HB2      SER  29 112.741   3.672 -18.827
  132    HB3  SER  29           HB1      SER  29 114.231   3.861 -19.739
  133    HG   SER  29           HG       SER  29 114.294   4.477 -17.453
  134    H    SER  30           HN       SER  30 110.415   4.597 -19.573
  135    HA   SER  30           HA       SER  30 109.482   7.189 -18.567
  136    HB2  SER  30           HB2      SER  30 107.858   4.672 -18.862
  137    HB3  SER  30           HB1      SER  30 107.292   6.338 -18.807
  138    HG   SER  30           HG       SER  30 107.355   6.028 -20.917
  139    H    CYS  31           HN       CYS  31 108.046   7.127 -16.598
  140    HA   CYS  31           HA       CYS  31 109.204   5.324 -14.539
  141    HB2  CYS  31           HB2      CYS  31 108.783   8.234 -14.626
  142    HB3  CYS  31           HB1      CYS  31 108.137   7.505 -13.166
  143    H    HIS  32           HN       HIS  32 107.808   3.847 -13.845
  144    HA   HIS  32           HA       HIS  32 104.907   4.493 -13.783
  145    HB2  HIS  32           HB2      HIS  32 105.704   2.687 -15.418
  146    HB3  HIS  32           HB1      HIS  32 106.086   1.718 -13.994
  147    HD2  HIS  32           HD2      HIS  32 103.946   0.051 -13.573
  148    HE1  HIS  32           HE1      HIS  32 100.863   2.769 -14.513
  149    HE2  HIS  32           HE2      HIS  32 101.366   0.422 -13.695
  150    H    LEU  33           HN       LEU  33 103.948   4.410 -11.802
  151    HA   LEU  33           HA       LEU  33 105.478   4.113  -9.461
  152    HB2  LEU  33           HB2      LEU  33 103.083   5.192  -9.908
  153    HB3  LEU  33           HB1      LEU  33 102.512   3.618  -9.361
  154    HG   LEU  33           HG       LEU  33 104.318   5.538  -7.840
  155   HD11  LEU  33          HD11      LEU  33 101.456   4.616  -7.540
  156   HD12  LEU  33          HD12      LEU  33 102.072   6.264  -7.633
  157   HD13  LEU  33          HD13      LEU  33 102.351   5.300  -6.183
  158   HD21  LEU  33          HD21      LEU  33 103.916   3.753  -5.985
  159   HD22  LEU  33          HD22      LEU  33 105.148   3.446  -7.204
  160   HD23  LEU  33          HD23      LEU  33 103.568   2.665  -7.327
  161    H    GLU  34           HN       GLU  34 106.143   2.404  -8.366
  162    HA   GLU  34           HA       GLU  34 104.727  -0.174  -8.608
  163    HB2  GLU  34           HB2      GLU  34 107.032  -1.266  -8.585
  164    HB3  GLU  34           HB1      GLU  34 106.552  -0.498 -10.097
  165    HG2  GLU  34           HG2      GLU  34 107.882   1.465  -9.591
  166    HG3  GLU  34           HG1      GLU  34 108.236   0.863  -7.976
  167    H    ILE  35           HN       ILE  35 104.449  -1.183  -6.690
  168    HA   ILE  35           HA       ILE  35 105.829  -0.042  -4.321
  169    HB   ILE  35           HB       ILE  35 103.233  -1.603  -4.446
  170   HG12  ILE  35          HG12      ILE  35 103.763   1.344  -3.918
  171   HG13  ILE  35          HG11      ILE  35 103.078   0.686  -5.404
  172   HG21  ILE  35          HG21      ILE  35 104.660  -0.202  -2.158
  173   HG22  ILE  35          HG22      ILE  35 104.469  -1.944  -2.340
  174   HG23  ILE  35          HG23      ILE  35 103.059  -0.933  -2.054
  175   HD11  ILE  35          HD11      ILE  35 101.210   1.395  -4.094
  176   HD12  ILE  35          HD12      ILE  35 101.868   0.655  -2.633
  177   HD13  ILE  35          HD13      ILE  35 101.262  -0.362  -3.943
  178    H    ARG  36           HN       ARG  36 107.247  -1.264  -3.300
  179    HA   ARG  36           HA       ARG  36 107.715  -3.989  -4.186
  180    HB2  ARG  36           HB2      ARG  36 109.132  -2.018  -2.434
  181    HB3  ARG  36           HB1      ARG  36 109.565  -3.718  -2.311
  182    HG2  ARG  36           HG2      ARG  36 111.065  -2.822  -3.912
  183    HG3  ARG  36           HG1      ARG  36 109.851  -3.651  -4.879
  184    HD2  ARG  36           HD2      ARG  36 108.677  -1.508  -5.235
  185    HD3  ARG  36           HD1      ARG  36 109.887  -0.682  -4.258
  186    HE   ARG  36           HE       ARG  36 111.048  -2.146  -6.448
  187   HH11  ARG  36          HH11      ARG  36 111.881  -0.904  -8.165
  188   HH12  ARG  36          HH12      ARG  36 111.470   0.774  -8.290
  189   HH21  ARG  36          HH21      ARG  36 109.489   0.777  -5.446
  190   HH22  ARG  36          HH22      ARG  36 110.121   1.725  -6.752
  191    H    GLU  37           HN       GLU  37 108.032  -5.714  -2.667
  192    HA   GLU  37           HA       GLU  37 105.793  -6.074  -0.927
  193    HB2  GLU  37           HB2      GLU  37 108.326  -7.704  -1.281
  194    HB3  GLU  37           HB1      GLU  37 106.902  -8.224  -0.379
  195    HG2  GLU  37           HG2      GLU  37 105.533  -8.072  -2.392
  196    HG3  GLU  37           HG1      GLU  37 106.915  -7.465  -3.305
  197    H    ASP  38           HN       ASP  38 109.019  -4.942  -0.666
  198    HA   ASP  38           HA       ASP  38 109.343  -5.286   2.162
  199    HB2  ASP  38           HB2      ASP  38 110.750  -3.429   0.221
  200    HB3  ASP  38           HB1      ASP  38 111.274  -3.779   1.867
  201    H    GLY  39           HN       GLY  39 107.430  -3.329   0.268
  202    HA2  GLY  39           HA2      GLY  39 105.832  -1.806   1.043
  203    HA3  GLY  39           HA1      GLY  39 106.738  -1.631   2.541
  204    H    THR  40           HN       THR  40 108.814  -1.411  -0.138
  205    HA   THR  40           HA       THR  40 109.042   1.480   0.290
  206    HB   THR  40           HB       THR  40 110.971   1.184  -1.393
  207    HG1  THR  40           HG1      THR  40 110.839  -0.714  -2.291
  208   HG21  THR  40          HG21      THR  40 112.386   0.070   0.410
  209   HG22  THR  40          HG22      THR  40 110.888  -0.139   1.320
  210   HG23  THR  40          HG23      THR  40 111.460   1.481   0.923
  211    H    VAL  41           HN       VAL  41 109.194   2.956  -1.584
  212    HA   VAL  41           HA       VAL  41 107.417   2.145  -3.819
  213    HB   VAL  41           HB       VAL  41 107.317   4.732  -2.258
  214   HG11  VAL  41          HG11      VAL  41 105.930   3.771  -4.762
  215   HG12  VAL  41          HG12      VAL  41 106.791   5.288  -4.500
  216   HG13  VAL  41          HG13      VAL  41 105.225   5.021  -3.736
  217   HG21  VAL  41          HG21      VAL  41 105.384   2.406  -2.498
  218   HG22  VAL  41          HG22      VAL  41 105.042   3.920  -1.660
  219   HG23  VAL  41          HG23      VAL  41 106.308   2.847  -1.062
  220    H    GLY  42           HN       GLY  42 107.946   2.845  -5.797
  221    HA2  GLY  42           HA2      GLY  42 109.726   5.042  -6.305
  222    HA3  GLY  42           HA1      GLY  42 110.513   3.480  -6.532
  223    H    CYS  43           HN       CYS  43 110.436   4.836  -8.784
  224    HA   CYS  43           HA       CYS  43 107.957   4.139 -10.211
  225    HB2  CYS  43           HB2      CYS  43 108.340   5.946 -11.524
  226    HB3  CYS  43           HB1      CYS  43 109.518   6.413 -10.309
  227    H    ALA  44           HN       ALA  44 108.070   3.074 -12.288
  228    HA   ALA  44           HA       ALA  44 110.454   1.385 -12.729
  229    HB1  ALA  44           HB1      ALA  44 109.329  -0.499 -12.139
  230    HB2  ALA  44           HB2      ALA  44 108.084  -0.151 -13.340
  231    HB3  ALA  44           HB3      ALA  44 107.935   0.484 -11.706
  232    H    ALA  45           HN       ALA  45 110.868   0.864 -14.832
  233    HA   ALA  45           HA       ALA  45 109.301   2.317 -16.888
  234    HB1  ALA  45           HB1      ALA  45 111.586   2.994 -16.922
  235    HB2  ALA  45           HB2      ALA  45 111.395   1.875 -18.273
  236    HB3  ALA  45           HB3      ALA  45 112.159   1.332 -16.779
  237    H    ASP  46           HN       ASP  46 109.667  -0.719 -15.552
  238    HA   ASP  46           HA       ASP  46 109.367  -2.201 -18.071
  239    HB2  ASP  46           HB2      ASP  46 109.588  -4.187 -16.608
  240    HB3  ASP  46           HB1      ASP  46 110.965  -3.094 -16.502
  241    H    GLN  47           HN       GLN  47 107.363  -0.761 -15.862
  242    HA   GLN  47           HA       GLN  47 105.131  -1.069 -15.246
  243    HB2  GLN  47           HB2      GLN  47 105.192  -2.171 -18.056
  244    HB3  GLN  47           HB1      GLN  47 103.713  -1.818 -17.165
  245    HG2  GLN  47           HG2      GLN  47 104.322   0.531 -16.999
  246    HG3  GLN  47           HG1      GLN  47 105.887   0.211 -17.745
  247   HE21  GLN  47          HE21      GLN  47 103.719   1.991 -18.779
  248   HE22  GLN  47          HE22      GLN  47 103.316   1.377 -20.309
  249    H    SER  48           HN       SER  48 105.433  -2.630 -13.582
  250    HA   SER  48           HA       SER  48 104.956  -5.443 -14.387
  251    HB2  SER  48           HB2      SER  48 106.676  -4.210 -12.281
  252    HB3  SER  48           HB1      SER  48 105.986  -5.798 -11.967
  253    HG   SER  48           HG       SER  48 108.088  -5.214 -13.429
  254    HA   PRO  49           HA       PRO  49 101.116  -5.676 -12.190
  255    HB2  PRO  49           HB2      PRO  49 102.320  -7.824 -10.471
  256    HB3  PRO  49           HB1      PRO  49 100.784  -7.826 -11.362
  257    HG2  PRO  49           HG2      PRO  49 102.875  -9.159 -12.288
  258    HG3  PRO  49           HG1      PRO  49 101.811  -8.263 -13.389
  259    HD2  PRO  49           HD2      PRO  49 104.564  -7.554 -12.441
  260    HD3  PRO  49           HD1      PRO  49 103.789  -7.252 -14.010
  261    H    GLU  50           HN       GLU  50 104.040  -5.658 -10.188
  262    HA   GLU  50           HA       GLU  50 102.959  -5.025  -7.710
  263    HB2  GLU  50           HB2      GLU  50 105.110  -3.876  -7.249
  264    HB3  GLU  50           HB1      GLU  50 105.346  -5.447  -8.006
  265    HG2  GLU  50           HG2      GLU  50 105.543  -4.314 -10.216
  266    HG3  GLU  50           HG1      GLU  50 105.425  -2.759  -9.396
  267    H    SER  51           HN       SER  51 102.972  -3.174 -10.602
  268    HA   SER  51           HA       SER  51 102.559  -0.610  -9.287
  269    HB2  SER  51           HB2      SER  51 102.590  -1.451 -12.184
  270    HB3  SER  51           HB1      SER  51 102.341   0.201 -11.632
  271    HG   SER  51           HG       SER  51 104.394  -0.268 -10.396
  272    H    LEU  52           HN       LEU  52 100.650  -3.242 -10.090
  273    HA   LEU  52           HA       LEU  52  98.309  -1.827 -10.968
  274    HB2  LEU  52           HB2      LEU  52  99.162  -4.444 -11.075
  275    HB3  LEU  52           HB1      LEU  52  97.958  -4.537  -9.796
  276    HG   LEU  52           HG       LEU  52  97.479  -3.338 -12.542
  277   HD11  LEU  52          HD11      LEU  52  97.869  -5.795 -12.569
  278   HD12  LEU  52          HD12      LEU  52  96.207  -5.381 -12.991
  279   HD13  LEU  52          HD13      LEU  52  96.583  -5.990 -11.378
  280   HD21  LEU  52          HD21      LEU  52  95.456  -4.145 -10.440
  281   HD22  LEU  52          HD22      LEU  52  95.179  -3.201 -11.903
  282   HD23  LEU  52          HD23      LEU  52  96.085  -2.502 -10.564
  283    H    LEU  53           HN       LEU  53  97.027  -0.670  -9.708
  284    HA   LEU  53           HA       LEU  53  96.897  -1.307  -6.804
  285    HB2  LEU  53           HB2      LEU  53  96.511   1.384  -8.119
  286    HB3  LEU  53           HB1      LEU  53  96.582   1.043  -6.391
  287    HG   LEU  53           HG       LEU  53  98.852   0.558  -8.345
  288   HD11  LEU  53          HD11      LEU  53  98.251   2.974  -7.901
  289   HD12  LEU  53          HD12      LEU  53  99.888   2.525  -7.419
  290   HD13  LEU  53          HD13      LEU  53  98.619   2.684  -6.202
  291   HD21  LEU  53          HD21      LEU  53  99.190  -0.953  -6.569
  292   HD22  LEU  53          HD22      LEU  53  98.499   0.145  -5.373
  293   HD23  LEU  53          HD23      LEU  53 100.099   0.462  -6.043
  294    H    GLN  54           HN       GLN  54  94.978  -1.789  -5.990
  295    HA   GLN  54           HA       GLN  54  92.620  -1.756  -7.670
  296    HB2  GLN  54           HB2      GLN  54  93.248  -2.644  -4.872
  297    HB3  GLN  54           HB1      GLN  54  91.563  -2.390  -5.311
  298    HG2  GLN  54           HG2      GLN  54  93.382  -4.070  -7.028
  299    HG3  GLN  54           HG1      GLN  54  92.561  -4.757  -5.628
  300   HE21  GLN  54          HE21      GLN  54  91.797  -5.890  -7.956
  301   HE22  GLN  54          HE22      GLN  54  90.286  -5.316  -8.475
  302    H    LEU  55           HN       LEU  55  91.638   0.127  -8.060
  303    HA   LEU  55           HA       LEU  55  91.821   2.338  -6.192
  304    HB2  LEU  55           HB2      LEU  55  91.955   2.907  -8.508
  305    HB3  LEU  55           HB1      LEU  55  90.518   1.966  -8.896
  306    HG   LEU  55           HG       LEU  55  89.106   3.521  -7.684
  307   HD11  LEU  55          HD11      LEU  55  91.752   4.673  -6.805
  308   HD12  LEU  55          HD12      LEU  55  90.388   4.156  -5.812
  309   HD13  LEU  55          HD13      LEU  55  90.275   5.637  -6.766
  310   HD21  LEU  55          HD21      LEU  55  91.094   5.097  -9.341
  311   HD22  LEU  55          HD22      LEU  55  89.404   5.503  -9.049
  312   HD23  LEU  55          HD23      LEU  55  89.815   4.091 -10.021
  313    H    LYS  56           HN       LYS  56  90.506   2.463  -4.492
  314    HA   LYS  56           HA       LYS  56  87.734   1.428  -4.738
  315    HB2  LYS  56           HB2      LYS  56  89.529   1.484  -2.302
  316    HB3  LYS  56           HB1      LYS  56  87.824   1.036  -2.289
  317    HG2  LYS  56           HG2      LYS  56  88.288  -0.788  -3.881
  318    HG3  LYS  56           HG1      LYS  56  89.991  -0.344  -3.894
  319    HD2  LYS  56           HD2      LYS  56  89.879  -2.127  -2.338
  320    HD3  LYS  56           HD1      LYS  56  89.925  -0.677  -1.338
  321    HE2  LYS  56           HE2      LYS  56  87.578  -0.788  -0.898
  322    HE3  LYS  56           HE1      LYS  56  87.320  -1.982  -2.168
  323    HZ1  LYS  56           HZ1      LYS  56  87.331  -3.039  -0.025
  324    HZ2  LYS  56           HZ2      LYS  56  88.855  -2.384   0.339
  325    HZ3  LYS  56           HZ3      LYS  56  88.696  -3.535  -0.901
  326    H    ALA  57           HN       ALA  57  86.100   2.691  -4.165
  327    HA   ALA  57           HA       ALA  57  86.724   5.492  -3.505
  328    HB1  ALA  57           HB1      ALA  57  85.299   5.105  -5.442
  329    HB2  ALA  57           HB2      ALA  57  84.379   5.905  -4.168
  330    HB3  ALA  57           HB3      ALA  57  84.172   4.175  -4.455
  331    H    LEU  58           HN       LEU  58  86.964   5.698  -1.316
  332    HA   LEU  58           HA       LEU  58  85.372   4.239   0.578
  333    HB2  LEU  58           HB2      LEU  58  86.931   6.792   1.037
  334    HB3  LEU  58           HB1      LEU  58  86.415   5.633   2.258
  335    HG   LEU  58           HG       LEU  58  88.388   5.093   0.019
  336   HD11  LEU  58          HD11      LEU  58  88.663   5.847   2.912
  337   HD12  LEU  58          HD12      LEU  58  89.656   6.302   1.530
  338   HD13  LEU  58          HD13      LEU  58  89.824   4.702   2.245
  339   HD21  LEU  58          HD21      LEU  58  88.734   2.972   1.510
  340   HD22  LEU  58          HD22      LEU  58  87.357   3.017   0.411
  341   HD23  LEU  58          HD23      LEU  58  87.123   3.343   2.129
  342    H    LYS  59           HN       LYS  59  85.549   7.688  -0.234
  343    HA   LYS  59           HA       LYS  59  82.647   7.960   0.214
  344    HB2  LYS  59           HB2      LYS  59  84.629  10.027   1.171
  345    HB3  LYS  59           HB1      LYS  59  82.922   9.891   1.566
  346    HG2  LYS  59           HG2      LYS  59  83.322   7.875   2.861
  347    HG3  LYS  59           HG1      LYS  59  85.016   7.850   2.375
  348    HD2  LYS  59           HD2      LYS  59  83.961  10.330   3.715
  349    HD3  LYS  59           HD1      LYS  59  84.283   8.914   4.712
  350    HE2  LYS  59           HE2      LYS  59  86.341   9.965   2.765
  351    HE3  LYS  59           HE1      LYS  59  86.208  10.597   4.407
  352    HZ1  LYS  59           HZ1      LYS  59  87.349   8.155   3.514
  353    HZ2  LYS  59           HZ2      LYS  59  86.133   7.862   4.663
  354    HZ3  LYS  59           HZ3      LYS  59  87.436   8.883   5.043
  355    HA   PRO  60           HA       PRO  60  82.648  10.139  -3.652
  356    HB2  PRO  60           HB2      PRO  60  81.344  12.456  -2.269
  357    HB3  PRO  60           HB1      PRO  60  80.839  11.588  -3.732
  358    HG2  PRO  60           HG2      PRO  60  79.633  11.226  -1.348
  359    HG3  PRO  60           HG1      PRO  60  79.784   9.932  -2.550
  360    HD2  PRO  60           HD2      PRO  60  81.216  10.254   0.035
  361    HD3  PRO  60           HD1      PRO  60  80.896   8.783  -0.908
  362    H    GLY  61           HN       GLY  61  84.527  10.931  -4.392
  363    HA2  GLY  61           HA2      GLY  61  86.037  12.684  -4.847
  364    HA3  GLY  61           HA1      GLY  61  85.561  13.470  -3.347
  365    H    VAL  62           HN       VAL  62  85.897  10.587  -2.135
  366    HA   VAL  62           HA       VAL  62  88.842  10.770  -1.757
  367    HB   VAL  62           HB       VAL  62  86.732   9.812   0.192
  368   HG11  VAL  62          HG11      VAL  62  89.745  10.027   0.324
  369   HG12  VAL  62          HG12      VAL  62  88.747   8.598   0.595
  370   HG13  VAL  62          HG13      VAL  62  88.736   9.915   1.767
  371   HG21  VAL  62          HG21      VAL  62  86.652  12.232  -0.045
  372   HG22  VAL  62          HG22      VAL  62  88.410  12.338   0.080
  373   HG23  VAL  62          HG23      VAL  62  87.451  11.842   1.478
  374    H    ILE  63           HN       ILE  63  90.007   8.996  -2.215
  375    HA   ILE  63           HA       ILE  63  88.631   6.391  -2.435
  376    HB   ILE  63           HB       ILE  63  89.606   5.949  -4.560
  377   HG12  ILE  63          HG12      ILE  63  90.922   7.935  -5.668
  378   HG13  ILE  63          HG11      ILE  63  91.157   8.491  -4.018
  379   HG21  ILE  63          HG21      ILE  63  87.556   7.456  -4.399
  380   HG22  ILE  63          HG22      ILE  63  88.450   7.540  -5.915
  381   HG23  ILE  63          HG23      ILE  63  88.644   8.808  -4.705
  382   HD11  ILE  63          HD11      ILE  63  92.741   6.917  -3.606
  383   HD12  ILE  63          HD12      ILE  63  92.808   6.736  -5.354
  384   HD13  ILE  63          HD13      ILE  63  91.828   5.633  -4.397
  385    H    GLN  64           HN       GLN  64  90.195   4.589  -2.648
  386    HA   GLN  64           HA       GLN  64  92.770   5.086  -1.265
  387    HB2  GLN  64           HB2      GLN  64  91.021   4.246   0.325
  388    HB3  GLN  64           HB1      GLN  64  90.891   2.791  -0.657
  389    HG2  GLN  64           HG2      GLN  64  93.291   2.342  -0.305
  390    HG3  GLN  64           HG1      GLN  64  93.413   3.791   0.693
  391   HE21  GLN  64          HE21      GLN  64  94.071   1.373   1.895
  392   HE22  GLN  64          HE22      GLN  64  92.857   0.911   2.986
  393    H    ILE  65           HN       ILE  65  94.442   3.680  -1.852
  394    HA   ILE  65           HA       ILE  65  93.884   1.920  -4.172
  395    HB   ILE  65           HB       ILE  65  96.481   2.570  -4.572
  396   HG12  ILE  65          HG12      ILE  65  95.245   5.011  -3.238
  397   HG13  ILE  65          HG11      ILE  65  96.571   4.050  -2.590
  398   HG21  ILE  65          HG21      ILE  65  94.140   4.329  -5.389
  399   HG22  ILE  65          HG22      ILE  65  94.611   2.831  -6.191
  400   HG23  ILE  65          HG23      ILE  65  95.695   4.218  -6.213
  401   HD11  ILE  65          HD11      ILE  65  97.733   5.778  -3.616
  402   HD12  ILE  65          HD12      ILE  65  96.542   5.952  -4.903
  403   HD13  ILE  65          HD13      ILE  65  97.683   4.606  -4.935
  404    H    LEU  66           HN       LEU  66  94.348  -0.127  -3.921
  405    HA   LEU  66           HA       LEU  66  96.284  -0.960  -1.833
  406    HB2  LEU  66           HB2      LEU  66  93.993  -1.370  -1.118
  407    HB3  LEU  66           HB1      LEU  66  93.620  -2.167  -2.629
  408    HG   LEU  66           HG       LEU  66  94.096  -3.611  -0.518
  409   HD11  LEU  66          HD11      LEU  66  95.774  -4.466  -2.856
  410   HD12  LEU  66          HD12      LEU  66  94.029  -4.350  -3.025
  411   HD13  LEU  66          HD13      LEU  66  94.730  -5.427  -1.825
  412   HD21  LEU  66          HD21      LEU  66  96.958  -3.157  -1.371
  413   HD22  LEU  66          HD22      LEU  66  96.379  -4.110  -0.009
  414   HD23  LEU  66          HD23      LEU  66  96.222  -2.355   0.017
  415    H    GLY  67           HN       GLY  67  98.007  -1.907  -2.747
  416    HA2  GLY  67           HA2      GLY  67  98.107  -2.746  -5.470
  417    HA3  GLY  67           HA1      GLY  67  99.346  -3.033  -4.259
  418    H    VAL  68           HN       VAL  68  97.448  -4.608  -6.354
  419    HA   VAL  68           HA       VAL  68  96.256  -6.667  -4.824
  420    HB   VAL  68           HB       VAL  68  96.041  -7.841  -6.944
  421   HG11  VAL  68          HG11      VAL  68  95.025  -5.923  -8.282
  422   HG12  VAL  68          HG12      VAL  68  95.628  -4.838  -7.027
  423   HG13  VAL  68          HG13      VAL  68  94.445  -6.088  -6.627
  424   HG21  VAL  68          HG21      VAL  68  98.161  -7.570  -7.980
  425   HG22  VAL  68          HG22      VAL  68  98.103  -5.815  -7.823
  426   HG23  VAL  68          HG23      VAL  68  97.060  -6.632  -8.986
  427    H    LYS  69           HN       LYS  69  99.373  -6.519  -6.526
  428    HA   LYS  69           HA       LYS  69 100.162  -9.166  -5.958
  429    HB2  LYS  69           HB2      LYS  69 101.182  -7.861  -7.742
  430    HB3  LYS  69           HB1      LYS  69 101.841  -6.730  -6.561
  431    HG2  LYS  69           HG2      LYS  69 103.226  -8.476  -5.585
  432    HG3  LYS  69           HG1      LYS  69 102.487  -9.692  -6.626
  433    HD2  LYS  69           HD2      LYS  69 103.434  -8.657  -8.593
  434    HD3  LYS  69           HD1      LYS  69 104.019  -7.295  -7.642
  435    HE2  LYS  69           HE2      LYS  69 105.864  -8.846  -8.045
  436    HE3  LYS  69           HE1      LYS  69 105.444  -8.858  -6.332
  437    HZ1  LYS  69           HZ1      LYS  69 104.538 -10.833  -8.356
  438    HZ2  LYS  69           HZ2      LYS  69 104.106 -10.836  -6.713
  439    HZ3  LYS  69           HZ3      LYS  69 105.721 -11.097  -7.170
  440    H    THR  70           HN       THR  70 100.988  -6.120  -4.300
  441    HA   THR  70           HA       THR  70 102.464  -7.587  -2.254
  442    HB   THR  70           HB       THR  70 102.965  -5.353  -1.360
  443    HG1  THR  70           HG1      THR  70 101.175  -4.584  -3.409
  444   HG21  THR  70          HG21      THR  70 104.055  -4.458  -3.512
  445   HG22  THR  70          HG22      THR  70 103.327  -5.850  -4.313
  446   HG23  THR  70          HG23      THR  70 104.495  -6.091  -3.012
  447    H    SER  71           HN       SER  71  99.287  -6.236  -2.671
  448    HA   SER  71           HA       SER  71  97.451  -6.208  -1.275
  449    HB2  SER  71           HB2      SER  71  97.207  -7.991   0.175
  450    HB3  SER  71           HB1      SER  71  98.570  -8.586  -0.771
  451    HG   SER  71           HG       SER  71  99.651  -7.104   1.045
  452    H    ARG  72           HN       ARG  72  99.804  -4.378  -1.005
  453    HA   ARG  72           HA       ARG  72  99.590  -3.561   1.820
  454    HB2  ARG  72           HB2      ARG  72 101.557  -2.897  -0.375
  455    HB3  ARG  72           HB1      ARG  72 101.517  -2.054   1.170
  456    HG2  ARG  72           HG2      ARG  72 101.870  -4.172   2.356
  457    HG3  ARG  72           HG1      ARG  72 101.870  -5.046   0.827
  458    HD2  ARG  72           HD2      ARG  72 103.835  -3.763   0.089
  459    HD3  ARG  72           HD1      ARG  72 103.827  -2.864   1.597
  460    HE   ARG  72           HE       ARG  72 104.631  -5.664   1.238
  461   HH11  ARG  72          HH11      ARG  72 105.755  -6.550   2.993
  462   HH12  ARG  72          HH12      ARG  72 105.851  -5.676   4.486
  463   HH21  ARG  72          HH21      ARG  72 103.979  -2.988   3.350
  464   HH22  ARG  72          HH22      ARG  72 104.849  -3.662   4.685
  465    H    PHE  73           HN       PHE  73  98.921  -1.513   2.379
  466    HA   PHE  73           HA       PHE  73  97.316  -0.106   0.352
  467    HB2  PHE  73           HB2      PHE  73  97.549   0.238   3.359
  468    HB3  PHE  73           HB1      PHE  73  96.456   1.145   2.315
  469    HD1  PHE  73           HD1      PHE  73  97.035  -2.006   4.055
  470    HD2  PHE  73           HD2      PHE  73  94.671  -0.068   1.026
  471    HE1  PHE  73           HE1      PHE  73  95.362  -3.831   4.184
  472    HE2  PHE  73           HE2      PHE  73  92.999  -1.892   1.166
  473    HZ   PHE  73           HZ       PHE  73  93.346  -3.774   2.744
  474    H    LEU  74           HN       LEU  74  98.226   1.540  -0.719
  475    HA   LEU  74           HA       LEU  74 100.724   2.677   0.099
  476    HB2  LEU  74           HB2      LEU  74 100.282   2.529  -2.253
  477    HB3  LEU  74           HB1      LEU  74  98.759   3.395  -2.084
  478    HG   LEU  74           HG       LEU  74  99.902   5.449  -1.533
  479   HD11  LEU  74          HD11      LEU  74 102.488   5.387  -1.618
  480   HD12  LEU  74          HD12      LEU  74 102.322   3.653  -1.353
  481   HD13  LEU  74          HD13      LEU  74 101.706   4.794  -0.157
  482   HD21  LEU  74          HD21      LEU  74 101.431   4.126  -3.794
  483   HD22  LEU  74          HD22      LEU  74 101.107   5.848  -3.596
  484   HD23  LEU  74          HD23      LEU  74  99.787   4.736  -3.948
  485    H    CYS  75           HN       CYS  75 100.916   4.052   1.723
  486    HA   CYS  75           HA       CYS  75  98.876   6.163   2.066
  487    HB2  CYS  75           HB2      CYS  75 100.266   4.751   4.337
  488    HB3  CYS  75           HB1      CYS  75  98.940   5.911   4.437
  489    H    GLN  76           HN       GLN  76  99.573   8.159   2.662
  490    HA   GLN  76           HA       GLN  76 102.475   8.638   2.435
  491    HB2  GLN  76           HB2      GLN  76 101.092   9.784   0.778
  492    HB3  GLN  76           HB1      GLN  76 100.104  10.484   2.060
  493    HG2  GLN  76           HG2      GLN  76 101.971  11.768   2.895
  494    HG3  GLN  76           HG1      GLN  76 103.087  10.949   1.807
  495   HE21  GLN  76          HE21      GLN  76 103.544  12.122  -0.052
  496   HE22  GLN  76          HE22      GLN  76 102.514  13.273  -0.757
  497    H    ARG  77           HN       ARG  77 103.597   9.581   4.059
  498    HA   ARG  77           HA       ARG  77 102.241   9.912   6.618
  499    HB2  ARG  77           HB2      ARG  77 104.974  10.580   6.958
  500    HB3  ARG  77           HB1      ARG  77 104.213   9.043   7.355
  501    HG2  ARG  77           HG2      ARG  77 104.680   8.206   5.113
  502    HG3  ARG  77           HG1      ARG  77 105.352   9.769   4.652
  503    HD2  ARG  77           HD2      ARG  77 107.131   8.147   5.262
  504    HD3  ARG  77           HD1      ARG  77 107.112   9.546   6.334
  505    HE   ARG  77           HE       ARG  77 105.515   7.738   7.613
  506   HH11  ARG  77          HH11      ARG  77 106.301   6.216   9.099
  507   HH12  ARG  77          HH12      ARG  77 107.947   5.684   8.998
  508   HH21  ARG  77          HH21      ARG  77 108.700   7.666   6.257
  509   HH22  ARG  77          HH22      ARG  77 109.305   6.507   7.393
  510    HA   PRO  78           HA       PRO  78 102.036  14.319   6.878
  511    HB2  PRO  78           HB2      PRO  78 104.097  14.350   9.062
  512    HB3  PRO  78           HB1      PRO  78 102.468  15.059   9.042
  513    HG2  PRO  78           HG2      PRO  78 102.944  12.842  10.401
  514    HG3  PRO  78           HG1      PRO  78 101.439  13.029   9.478
  515    HD2  PRO  78           HD2      PRO  78 103.882  11.424   8.792
  516    HD3  PRO  78           HD1      PRO  78 102.168  11.038   8.534
  517    H    ASP  79           HN       ASP  79 105.273  12.957   6.946
  518    HA   ASP  79           HA       ASP  79 106.690  15.289   6.152
  519    HB2  ASP  79           HB2      ASP  79 107.354  12.345   6.033
  520    HB3  ASP  79           HB1      ASP  79 108.483  13.609   5.557
  521    H    GLY  80           HN       GLY  80 104.538  13.316   4.483
  522    HA2  GLY  80           HA2      GLY  80 103.812  13.589   2.281
  523    HA3  GLY  80           HA1      GLY  80 105.233  14.573   1.953
  524    H    ALA  81           HN       ALA  81 105.971  11.646   3.539
  525    HA   ALA  81           HA       ALA  81 107.204  10.606   1.094
  526    HB1  ALA  81           HB1      ALA  81 107.532  10.164   4.025
  527    HB2  ALA  81           HB2      ALA  81 108.756  10.307   2.768
  528    HB3  ALA  81           HB3      ALA  81 107.889   8.786   2.981
  529    H    LEU  82           HN       LEU  82 106.705   8.671   0.133
  530    HA   LEU  82           HA       LEU  82 104.043   7.560   0.758
  531    HB2  LEU  82           HB2      LEU  82 105.827   7.613  -1.660
  532    HB3  LEU  82           HB1      LEU  82 104.586   6.373  -1.538
  533    HG   LEU  82           HG       LEU  82 102.841   8.038  -1.374
  534   HD11  LEU  82          HD11      LEU  82 103.822   9.744  -0.040
  535   HD12  LEU  82          HD12      LEU  82 103.543  10.497  -1.610
  536   HD13  LEU  82          HD13      LEU  82 105.163   9.961  -1.165
  537   HD21  LEU  82          HD21      LEU  82 104.886   8.612  -3.538
  538   HD22  LEU  82          HD22      LEU  82 103.267   9.304  -3.540
  539   HD23  LEU  82          HD23      LEU  82 103.478   7.557  -3.646
  540    H    TYR  83           HN       TYR  83 103.753   5.477   1.427
  541    HA   TYR  83           HA       TYR  83 105.873   3.511   1.145
  542    HB2  TYR  83           HB2      TYR  83 106.218   3.094   3.481
  543    HB3  TYR  83           HB1      TYR  83 106.473   4.820   3.218
  544    HD1  TYR  83           HD1      TYR  83 104.569   2.331   4.985
  545    HD2  TYR  83           HD2      TYR  83 104.506   6.412   3.657
  546    HE1  TYR  83           HE1      TYR  83 102.765   2.825   6.609
  547    HE2  TYR  83           HE2      TYR  83 102.703   6.914   5.292
  548    HH   TYR  83           HH       TYR  83 100.855   4.637   6.738
  549    H    GLY  84           HN       GLY  84 105.143   1.402   1.364
  550    HA2  GLY  84           HA2      GLY  84 102.288   1.000   1.195
  551    HA3  GLY  84           HA1      GLY  84 103.529  -0.251   1.131
  552    H    SER  85           HN       SER  85 100.973  -0.048   2.737
  553    HA   SER  85           HA       SER  85 102.182  -0.702   5.347
  554    HB2  SER  85           HB2      SER  85 100.808   0.726   6.554
  555    HB3  SER  85           HB1      SER  85 101.167   1.711   5.142
  556    HG   SER  85           HG       SER  85  98.914  -0.000   5.383
  557    H    LEU  86           HN       LEU  86 101.312  -2.419   6.322
  558    HA   LEU  86           HA       LEU  86  99.530  -4.123   4.921
  559    HB2  LEU  86           HB2      LEU  86 100.729  -4.133   7.681
  560    HB3  LEU  86           HB1      LEU  86  99.487  -5.309   7.261
  561    HG   LEU  86           HG       LEU  86 101.818  -6.149   6.893
  562   HD11  LEU  86          HD11      LEU  86 100.698  -5.969   4.127
  563   HD12  LEU  86          HD12      LEU  86  99.639  -6.645   5.363
  564   HD13  LEU  86          HD13      LEU  86 101.209  -7.379   5.053
  565   HD21  LEU  86          HD21      LEU  86 101.904  -4.116   4.653
  566   HD22  LEU  86          HD22      LEU  86 103.198  -5.196   5.163
  567   HD23  LEU  86          HD23      LEU  86 102.688  -3.873   6.212
  568    H    HIS  87           HN       HIS  87  99.108  -1.855   7.588
  569    HA   HIS  87           HA       HIS  87  96.267  -2.539   7.829
  570    HB2  HIS  87           HB2      HIS  87  98.057  -0.676   9.401
  571    HB3  HIS  87           HB1      HIS  87  96.339  -0.911   9.726
  572    HD2  HIS  87           HD2      HIS  87  99.717  -2.879  10.120
  573    HE1  HIS  87           HE1      HIS  87  96.652  -5.170  11.903
  574    HE2  HIS  87           HE2      HIS  87  99.163  -4.975  11.575
  575    H    PHE  88           HN       PHE  88  94.653  -0.887   7.859
  576    HA   PHE  88           HA       PHE  88  95.054   1.094   5.729
  577    HB2  PHE  88           HB2      PHE  88  93.192  -0.325   5.340
  578    HB3  PHE  88           HB1      PHE  88  92.636  -0.183   7.004
  579    HD1  PHE  88           HD1      PHE  88  93.643   2.322   4.373
  580    HD2  PHE  88           HD2      PHE  88  90.609   0.973   7.103
  581    HE1  PHE  88           HE1      PHE  88  92.196   4.219   3.712
  582    HE2  PHE  88           HE2      PHE  88  89.170   2.875   6.439
  583    HZ   PHE  88           HZ       PHE  88  89.962   4.498   4.742
  584    H    ASP  89           HN       ASP  89  95.142   3.209   6.112
  585    HA   ASP  89           HA       ASP  89  94.211   4.286   8.714
  586    HB2  ASP  89           HB2      ASP  89  96.705   3.995   8.645
  587    HB3  ASP  89           HB1      ASP  89  96.743   5.136   7.303
  588    HA   PRO  90           HA       PRO  90  92.052   6.592   5.345
  589    HB2  PRO  90           HB2      PRO  90  90.810   7.889   7.737
  590    HB3  PRO  90           HB1      PRO  90  90.033   7.193   6.301
  591    HG2  PRO  90           HG2      PRO  90  90.022   5.956   8.687
  592    HG3  PRO  90           HG1      PRO  90  90.059   5.067   7.158
  593    HD2  PRO  90           HD2      PRO  90  92.249   5.494   9.139
  594    HD3  PRO  90           HD1      PRO  90  91.994   4.142   8.014
  595    H    GLU  91           HN       GLU  91  93.309   7.988   8.339
  596    HA   GLU  91           HA       GLU  91  93.467  10.660   7.505
  597    HB2  GLU  91           HB2      GLU  91  95.042   9.131   9.572
  598    HB3  GLU  91           HB1      GLU  91  95.163  10.877   9.353
  599    HG2  GLU  91           HG2      GLU  91  92.761  11.123   9.766
  600    HG3  GLU  91           HG1      GLU  91  92.590   9.376   9.912
  601    H    ALA  92           HN       ALA  92  95.482   7.996   6.588
  602    HA   ALA  92           HA       ALA  92  97.378   9.907   5.316
  603    HB1  ALA  92           HB1      ALA  92  99.120   8.092   5.656
  604    HB2  ALA  92           HB2      ALA  92  97.978   7.327   6.763
  605    HB3  ALA  92           HB3      ALA  92  98.602   8.938   7.116
  606    H    CYS  93           HN       CYS  93  95.455   7.038   5.045
  607    HA   CYS  93           HA       CYS  93  96.654   6.289   2.485
  608    HB2  CYS  93           HB2      CYS  93  94.385   4.947   3.935
  609    HB3  CYS  93           HB1      CYS  93  95.391   4.275   2.654
  610    H    SER  94           HN       SER  94  94.076   8.206   3.597
  611    HA   SER  94           HA       SER  94  92.350   7.756   1.321
  612    HB2  SER  94           HB2      SER  94  90.972   9.477   2.248
  613    HB3  SER  94           HB1      SER  94  91.545   8.506   3.599
  614    HG   SER  94           HG       SER  94  92.846  10.107   4.210
  615    H    PHE  95           HN       PHE  95  92.141   9.059  -0.476
  616    HA   PHE  95           HA       PHE  95  93.947  11.378  -0.749
  617    HB2  PHE  95           HB2      PHE  95  93.734   9.141  -2.775
  618    HB3  PHE  95           HB1      PHE  95  94.690  10.609  -2.937
  619    HD1  PHE  95           HD1      PHE  95  94.501   7.287  -1.459
  620    HD2  PHE  95           HD2      PHE  95  96.646  11.006  -1.430
  621    HE1  PHE  95           HE1      PHE  95  96.402   6.177  -0.327
  622    HE2  PHE  95           HE2      PHE  95  98.550   9.899  -0.291
  623    HZ   PHE  95           HZ       PHE  95  98.435   7.485   0.254
  624    H    ARG  96           HN       ARG  96  93.257  12.914  -2.234
  625    HA   ARG  96           HA       ARG  96  90.439  12.696  -3.065
  626    HB2  ARG  96           HB2      ARG  96  92.301  15.082  -2.951
  627    HB3  ARG  96           HB1      ARG  96  90.639  15.132  -3.533
  628    HG2  ARG  96           HG2      ARG  96  89.966  14.179  -1.251
  629    HG3  ARG  96           HG1      ARG  96  91.613  14.548  -0.729
  630    HD2  ARG  96           HD2      ARG  96  89.668  16.539  -1.925
  631    HD3  ARG  96           HD1      ARG  96  90.051  16.408  -0.214
  632    HE   ARG  96           HE       ARG  96  91.962  17.234  -2.332
  633   HH11  ARG  96          HH11      ARG  96  93.595  18.609  -1.629
  634   HH12  ARG  96          HH12      ARG  96  93.705  19.050   0.042
  635   HH21  ARG  96          HH21      ARG  96  90.941  17.213   1.006
  636   HH22  ARG  96          HH22      ARG  96  92.206  18.272   1.518
  637    H    GLU  97           HN       GLU  97  89.872  12.646  -5.201
  638    HA   GLU  97           HA       GLU  97  92.063  12.304  -7.127
  639    HB2  GLU  97           HB2      GLU  97  90.125  10.703  -7.043
  640    HB3  GLU  97           HB1      GLU  97  89.087  12.018  -7.598
  641    HG2  GLU  97           HG2      GLU  97  90.454  12.277  -9.611
  642    HG3  GLU  97           HG1      GLU  97  91.540  11.007  -9.059
  643    H    LEU  98           HN       LEU  98  92.858  14.125  -7.937
  644    HA   LEU  98           HA       LEU  98  91.089  16.422  -8.476
  645    HB2  LEU  98           HB2      LEU  98  94.102  16.253  -8.701
  646    HB3  LEU  98           HB1      LEU  98  93.114  17.712  -8.673
  647    HG   LEU  98           HG       LEU  98  93.437  15.733  -6.400
  648   HD11  LEU  98          HD11      LEU  98  94.623  17.541  -5.286
  649   HD12  LEU  98          HD12      LEU  98  94.310  18.624  -6.641
  650   HD13  LEU  98          HD13      LEU  98  95.383  17.241  -6.850
  651   HD21  LEU  98          HD21      LEU  98  91.672  18.150  -6.793
  652   HD22  LEU  98          HD22      LEU  98  92.196  17.677  -5.176
  653   HD23  LEU  98          HD23      LEU  98  91.245  16.562  -6.154
  654    H    LEU  99           HN       LEU  99  90.540  17.004 -10.512
  655    HA   LEU  99           HA       LEU  99  91.914  15.654 -12.768
  656    HB2  LEU  99           HB2      LEU  99  89.070  15.768 -12.060
  657    HB3  LEU  99           HB1      LEU  99  89.351  16.334 -13.700
  658    HG   LEU  99           HG       LEU  99  88.912  13.877 -13.560
  659   HD11  LEU  99          HD11      LEU  99  91.766  14.121 -14.461
  660   HD12  LEU  99          HD12      LEU  99  90.547  15.106 -15.267
  661   HD13  LEU  99          HD13      LEU  99  90.396  13.351 -15.255
  662   HD21  LEU  99          HD21      LEU  99  90.381  13.856 -11.303
  663   HD22  LEU  99          HD22      LEU  99  91.640  13.387 -12.439
  664   HD23  LEU  99          HD23      LEU  99  90.173  12.423 -12.305
  665    H    LEU 100           HN       LEU 100  92.555  16.808 -14.429
  666    HA   LEU 100           HA       LEU 100  92.188  19.745 -14.319
  667    HB2  LEU 100           HB2      LEU 100  94.345  18.051 -15.609
  668    HB3  LEU 100           HB1      LEU 100  94.256  19.808 -15.696
  669    HG   LEU 100           HG       LEU 100  94.394  18.257 -13.092
  670   HD11  LEU 100          HD11      LEU 100  96.463  17.846 -14.220
  671   HD12  LEU 100          HD12      LEU 100  96.783  19.145 -13.074
  672   HD13  LEU 100          HD13      LEU 100  96.565  19.512 -14.785
  673   HD21  LEU 100          HD21      LEU 100  93.538  20.378 -12.563
  674   HD22  LEU 100          HD22      LEU 100  94.440  21.179 -13.848
  675   HD23  LEU 100          HD23      LEU 100  95.270  20.641 -12.390
  676    H    GLU 101           HN       GLU 101  91.396  20.810 -16.088
  677    HA   GLU 101           HA       GLU 101  89.696  19.509 -17.873
  678    HB2  GLU 101           HB2      GLU 101  91.147  22.135 -18.296
  679    HB3  GLU 101           HB1      GLU 101  89.692  21.603 -19.140
  680    HG2  GLU 101           HG2      GLU 101  88.479  21.501 -17.009
  681    HG3  GLU 101           HG1      GLU 101  89.934  22.008 -16.154
  682    H    ASP 102           HN       ASP 102  93.094  19.899 -17.875
  683    HA   ASP 102           HA       ASP 102  93.601  19.570 -20.653
  684    HB2  ASP 102           HB2      ASP 102  95.290  19.142 -18.189
  685    HB3  ASP 102           HB1      ASP 102  95.907  18.916 -19.823
  686    H    GLY 103           HN       GLY 103  92.441  17.412 -18.300
  687    HA2  GLY 103           HA2      GLY 103  91.703  15.225 -18.773
  688    HA3  GLY 103           HA1      GLY 103  92.788  15.164 -20.154
  689    H    TYR 104           HN       TYR 104  94.069  16.298 -17.130
  690    HA   TYR 104           HA       TYR 104  95.521  13.724 -16.789
  691    HB2  TYR 104           HB2      TYR 104  96.322  16.568 -16.161
  692    HB3  TYR 104           HB1      TYR 104  97.200  15.164 -15.556
  693    HD1  TYR 104           HD1      TYR 104  96.108  16.935 -18.626
  694    HD2  TYR 104           HD2      TYR 104  98.657  13.897 -16.975
  695    HE1  TYR 104           HE1      TYR 104  97.329  16.793 -20.780
  696    HE2  TYR 104           HE2      TYR 104  99.881  13.757 -19.131
  697    HH   TYR 104           HH       TYR 104 100.124  14.613 -21.163
  698    H    ASN 105           HN       ASN 105  95.715  12.863 -14.700
  699    HA   ASN 105           HA       ASN 105  93.879  14.034 -12.672
  700    HB2  ASN 105           HB2      ASN 105  94.592  11.112 -12.946
  701    HB3  ASN 105           HB1      ASN 105  93.326  11.829 -11.953
  702   HD21  ASN 105          HD21      ASN 105  91.432  11.028 -12.897
  703   HD22  ASN 105          HD22      ASN 105  91.043  11.197 -14.542
  704    H    VAL 106           HN       VAL 106  94.600  14.238 -10.602
  705    HA   VAL 106           HA       VAL 106  97.284  13.187  -9.934
  706    HB   VAL 106           HB       VAL 106  96.395  15.937  -9.059
  707   HG11  VAL 106          HG11      VAL 106  99.062  14.509  -9.331
  708   HG12  VAL 106          HG12      VAL 106  98.280  15.040  -7.841
  709   HG13  VAL 106          HG13      VAL 106  98.911  16.229  -8.980
  710   HG21  VAL 106          HG21      VAL 106  96.303  16.087 -11.449
  711   HG22  VAL 106          HG22      VAL 106  97.766  15.118 -11.631
  712   HG23  VAL 106          HG23      VAL 106  97.867  16.753 -10.977
  713    H    TYR 107           HN       TYR 107  97.650  12.990  -7.616
  714    HA   TYR 107           HA       TYR 107  95.125  12.749  -6.062
  715    HB2  TYR 107           HB2      TYR 107  97.546  10.939  -6.036
  716    HB3  TYR 107           HB1      TYR 107  96.164  10.796  -4.951
  717    HD1  TYR 107           HD1      TYR 107  97.346  10.441  -8.419
  718    HD2  TYR 107           HD2      TYR 107  93.986  10.040  -5.769
  719    HE1  TYR 107           HE1      TYR 107  96.130   9.156 -10.156
  720    HE2  TYR 107           HE2      TYR 107  92.771   8.753  -7.509
  721    HH   TYR 107           HH       TYR 107  93.503   8.753 -10.640
  722    H    GLN 108           HN       GLN 108  95.122  13.366  -3.969
  723    HA   GLN 108           HA       GLN 108  97.594  14.248  -2.660
  724    HB2  GLN 108           HB2      GLN 108  96.820  16.258  -3.822
  725    HB3  GLN 108           HB1      GLN 108  95.209  16.059  -3.138
  726    HG2  GLN 108           HG2      GLN 108  96.063  16.411  -0.889
  727    HG3  GLN 108           HG1      GLN 108  97.720  16.444  -1.484
  728   HE21  GLN 108          HE21      GLN 108  95.516  18.533  -0.342
  729   HE22  GLN 108          HE22      GLN 108  95.831  19.891  -1.311
  730    H    SER 109           HN       SER 109  97.398  14.327  -0.373
  731    HA   SER 109           HA       SER 109  95.459  12.536   0.713
  732    HB2  SER 109           HB2      SER 109  96.415  13.323   2.923
  733    HB3  SER 109           HB1      SER 109  97.591  12.654   1.797
  734    HG   SER 109           HG       SER 109  97.004  15.409   1.808
  735    H    GLU 110           HN       GLU 110  93.613  12.952   1.897
  736    HA   GLU 110           HA       GLU 110  92.430  15.571   1.499
  737    HB2  GLU 110           HB2      GLU 110  90.384  14.565   1.989
  738    HB3  GLU 110           HB1      GLU 110  91.288  13.260   1.233
  739    HG2  GLU 110           HG2      GLU 110  90.380  12.216   3.123
  740    HG3  GLU 110           HG1      GLU 110  91.996  12.647   3.672
  741    H    ALA 111           HN       ALA 111  93.564  13.595   4.191
  742    HA   ALA 111           HA       ALA 111  92.621  15.386   6.212
  743    HB1  ALA 111           HB1      ALA 111  94.565  13.083   6.272
  744    HB2  ALA 111           HB2      ALA 111  92.884  13.096   6.808
  745    HB3  ALA 111           HB3      ALA 111  94.103  14.000   7.706
  746    H    HIS 112           HN       HIS 112  95.862  14.793   4.818
  747    HA   HIS 112           HA       HIS 112  96.915  17.048   6.383
  748    HB2  HIS 112           HB2      HIS 112  98.372  15.110   4.587
  749    HB3  HIS 112           HB1      HIS 112  99.084  16.242   5.733
  750    HD2  HIS 112           HD2      HIS 112  96.513  15.286   7.978
  751    HE1  HIS 112           HE1      HIS 112  98.927  11.823   8.082
  752    HE2  HIS 112           HE2      HIS 112  97.054  13.073   9.256
  753    H    GLY 113           HN       GLY 113  95.887  16.377   3.139
  754    HA2  GLY 113           HA2      GLY 113  95.778  17.795   1.307
  755    HA3  GLY 113           HA1      GLY 113  96.334  19.090   2.359
  756    H    LEU 114           HN       LEU 114  98.391  16.406   2.472
  757    HA   LEU 114           HA       LEU 114 100.550  17.836   1.273
  758    HB2  LEU 114           HB2      LEU 114 100.198  15.084   2.412
  759    HB3  LEU 114           HB1      LEU 114 101.685  15.495   1.564
  760    HG   LEU 114           HG       LEU 114 100.677  17.362   3.707
  761   HD11  LEU 114          HD11      LEU 114 102.438  14.980   4.331
  762   HD12  LEU 114          HD12      LEU 114 100.703  14.981   4.637
  763   HD13  LEU 114          HD13      LEU 114 101.742  16.139   5.460
  764   HD21  LEU 114          HD21      LEU 114 102.709  17.729   2.113
  765   HD22  LEU 114          HD22      LEU 114 103.526  16.535   3.122
  766   HD23  LEU 114          HD23      LEU 114 102.934  18.037   3.834
  767    HA   PRO 115           HA       PRO 115  99.490  16.478  -2.964
  768    HB2  PRO 115           HB2      PRO 115 102.322  17.222  -3.550
  769    HB3  PRO 115           HB1      PRO 115 100.830  17.749  -4.353
  770    HG2  PRO 115           HG2      PRO 115 102.232  19.353  -2.701
  771    HG3  PRO 115           HG1      PRO 115 100.471  19.453  -2.866
  772    HD2  PRO 115           HD2      PRO 115 102.086  18.343  -0.612
  773    HD3  PRO 115           HD1      PRO 115 100.464  19.075  -0.599
  774    H    LEU 116           HN       LEU 116  99.862  14.543  -4.067
  775    HA   LEU 116           HA       LEU 116 101.563  12.616  -2.694
  776    HB2  LEU 116           HB2      LEU 116  99.212  12.113  -3.503
  777    HB3  LEU 116           HB1      LEU 116  99.840  12.166  -5.145
  778    HG   LEU 116           HG       LEU 116 101.272  10.407  -3.163
  779   HD11  LEU 116          HD11      LEU 116  98.888   9.902  -2.780
  780   HD12  LEU 116          HD12      LEU 116  99.727   8.558  -3.552
  781   HD13  LEU 116          HD13      LEU 116  98.681   9.608  -4.506
  782   HD21  LEU 116          HD21      LEU 116 102.197  10.491  -5.395
  783   HD22  LEU 116          HD22      LEU 116 100.612  10.231  -6.122
  784   HD23  LEU 116          HD23      LEU 116 101.393   8.936  -5.221
  785    H    HIS 117           HN       HIS 117 103.553  12.108  -3.307
  786    HA   HIS 117           HA       HIS 117 104.360  12.256  -6.108
  787    HB2  HIS 117           HB2      HIS 117 106.320  13.691  -5.581
  788    HB3  HIS 117           HB1      HIS 117 104.787  14.537  -5.360
  789    HD2  HIS 117           HD2      HIS 117 107.798  13.292  -3.212
  790    HE1  HIS 117           HE1      HIS 117 105.028  15.089  -0.585
  791    HE2  HIS 117           HE2      HIS 117 107.364  14.112  -0.773
  792    H    LEU 118           HN       LEU 118 106.327  11.170  -6.532
  793    HA   LEU 118           HA       LEU 118 106.769   8.839  -5.048
  794    HB2  LEU 118           HB2      LEU 118 108.612  10.235  -7.001
  795    HB3  LEU 118           HB1      LEU 118 108.735   8.548  -6.513
  796    HG   LEU 118           HG       LEU 118 106.317   9.782  -7.867
  797   HD11  LEU 118          HD11      LEU 118 108.174   9.706  -9.424
  798   HD12  LEU 118          HD12      LEU 118 107.060   8.396  -9.817
  799   HD13  LEU 118          HD13      LEU 118 108.557   8.053  -8.945
  800   HD21  LEU 118          HD21      LEU 118 105.927   7.193  -8.243
  801   HD22  LEU 118          HD22      LEU 118 105.469   7.927  -6.711
  802   HD23  LEU 118          HD23      LEU 118 106.981   7.026  -6.838
  803    HA   PRO 119           HA       PRO 119 109.399  10.278  -1.788
  804    HB2  PRO 119           HB2      PRO 119 110.813   8.036  -1.162
  805    HB3  PRO 119           HB1      PRO 119 109.077   8.196  -0.818
  806    HG2  PRO 119           HG2      PRO 119 110.429   6.812  -3.099
  807    HG3  PRO 119           HG1      PRO 119 109.074   6.262  -2.094
  808    HD2  PRO 119           HD2      PRO 119 108.700   7.346  -4.567
  809    HD3  PRO 119           HD1      PRO 119 107.513   7.536  -3.262
  810    H    GLY 120           HN       GLY 120 111.519  10.928  -1.276
  811    HA2  GLY 120           HA2      GLY 120 113.815  11.232  -1.616
  812    HA3  GLY 120           HA1      GLY 120 113.702  10.337  -3.128
  813    H    ASN 121           HN       ASN 121 111.238  12.614  -2.822
  814    HA   ASN 121           HA       ASN 121 110.751  14.429  -4.176
  815    HB2  ASN 121           HB2      ASN 121 113.376  15.330  -2.965
  816    HB3  ASN 121           HB1      ASN 121 112.110  16.377  -3.606
  817   HD21  ASN 121          HD21      ASN 121 110.717  13.661  -2.111
  818   HD22  ASN 121          HD22      ASN 121 110.374  14.363  -0.605
  819    H    LYS 122           HN       LYS 122 113.668  15.838  -4.754
  820    HA   LYS 122           HA       LYS 122 113.584  15.422  -7.550
  821    HB2  LYS 122           HB2      LYS 122 114.568  17.414  -6.466
  822    HB3  LYS 122           HB1      LYS 122 115.871  16.410  -5.838
  823    HG2  LYS 122           HG2      LYS 122 116.633  15.880  -8.083
  824    HG3  LYS 122           HG1      LYS 122 115.231  16.680  -8.791
  825    HD2  LYS 122           HD2      LYS 122 116.900  18.312  -9.015
  826    HD3  LYS 122           HD1      LYS 122 116.101  18.802  -7.525
  827    HE2  LYS 122           HE2      LYS 122 118.379  18.887  -6.958
  828    HE3  LYS 122           HE1      LYS 122 117.895  17.310  -6.351
  829    HZ1  LYS 122           HZ1      LYS 122 119.289  16.322  -7.734
  830    HZ2  LYS 122           HZ2      LYS 122 119.897  17.850  -8.160
  831    HZ3  LYS 122           HZ3      LYS 122 118.651  17.143  -9.074
  832    H    SER 123           HN       SER 123 115.770  14.143  -5.039
  833    HA   SER 123           HA       SER 123 116.008  11.576  -5.874
  834    HB2  SER 123           HB2      SER 123 117.430  13.353  -7.749
  835    HB3  SER 123           HB1      SER 123 118.398  12.004  -7.162
  836    HG   SER 123           HG       SER 123 117.316  10.974  -8.654
  837    HA   PRO 124           HA       PRO 124 120.080  12.456  -3.515
  838    HB2  PRO 124           HB2      PRO 124 120.937  15.021  -3.183
  839    HB3  PRO 124           HB1      PRO 124 121.316  14.077  -4.640
  840    HG2  PRO 124           HG2      PRO 124 119.131  16.083  -4.219
  841    HG3  PRO 124           HG1      PRO 124 120.288  15.955  -5.560
  842    HD2  PRO 124           HD2      PRO 124 117.781  14.985  -5.795
  843    HD3  PRO 124           HD1      PRO 124 119.170  14.150  -6.532
  844    H    HIS 125           HN       HIS 125 120.455  12.926  -1.245
  845    HA   HIS 125           HA       HIS 125 118.054  13.296   0.243
  846    HB2  HIS 125           HB2      HIS 125 119.591  13.271   2.226
  847    HB3  HIS 125           HB1      HIS 125 119.788  11.889   1.150
  848    HD2  HIS 125           HD2      HIS 125 122.330  11.635   0.046
  849    HE1  HIS 125           HE1      HIS 125 123.885  15.321   1.388
  850    HE2  HIS 125           HE2      HIS 125 124.461  13.127   0.248
  851    H    ARG 126           HN       ARG 126 117.101  15.119   0.820
  852    HA   ARG 126           HA       ARG 126 118.642  17.485   1.522
  853    HB2  ARG 126           HB2      ARG 126 118.287  17.557  -0.992
  854    HB3  ARG 126           HB1      ARG 126 116.559  17.690  -0.658
  855    HG2  ARG 126           HG2      ARG 126 116.939  19.726   0.651
  856    HG3  ARG 126           HG1      ARG 126 118.680  19.579   0.405
  857    HD2  ARG 126           HD2      ARG 126 118.375  19.820  -2.020
  858    HD3  ARG 126           HD1      ARG 126 116.630  19.911  -1.803
  859    HE   ARG 126           HE       ARG 126 116.870  22.101  -1.005
  860   HH11  ARG 126          HH11      ARG 126 118.079  24.000  -0.744
  861   HH12  ARG 126          HH12      ARG 126 119.808  23.942  -0.844
  862   HH21  ARG 126          HH21      ARG 126 119.927  20.524  -1.416
  863   HH22  ARG 126          HH22      ARG 126 120.852  21.974  -1.218
  864    H    ASP 127           HN       ASP 127 117.449  18.974   2.764
  865    HA   ASP 127           HA       ASP 127 115.594  18.032   4.521
  866    HB2  ASP 127           HB2      ASP 127 114.853  20.516   4.687
  867    HB3  ASP 127           HB1      ASP 127 116.533  20.122   5.034
  868    HA   PRO 128           HA       PRO 128 111.700  17.493   2.469
  869    HB2  PRO 128           HB2      PRO 128 110.368  19.353   4.401
  870    HB3  PRO 128           HB1      PRO 128 109.965  17.672   3.994
  871    HG2  PRO 128           HG2      PRO 128 111.148  18.293   6.300
  872    HG3  PRO 128           HG1      PRO 128 111.555  16.806   5.424
  873    HD2  PRO 128           HD2      PRO 128 113.121  19.351   5.645
  874    HD3  PRO 128           HD1      PRO 128 113.694  17.671   5.561
  875    H    ALA 129           HN       ALA 129 110.665  18.420   0.757
  876    HA   ALA 129           HA       ALA 129 110.001  21.163   0.516
  877    HB1  ALA 129           HB1      ALA 129 111.637  21.854  -1.169
  878    HB2  ALA 129           HB2      ALA 129 112.457  20.300  -1.030
  879    HB3  ALA 129           HB3      ALA 129 112.457  21.421   0.330
  880    HA   PRO 130           HA       PRO 130 108.314  18.088  -2.585
  881    HB2  PRO 130           HB2      PRO 130 105.755  17.939  -1.664
  882    HB3  PRO 130           HB1      PRO 130 107.062  16.934  -1.006
  883    HG2  PRO 130           HG2      PRO 130 105.857  19.431   0.104
  884    HG3  PRO 130           HG1      PRO 130 106.353  17.951   0.944
  885    HD2  PRO 130           HD2      PRO 130 107.890  20.248   0.870
  886    HD3  PRO 130           HD1      PRO 130 108.569  18.618   1.083
  887    H    ARG 131           HN       ARG 131 108.265  19.400  -4.349
  888    HA   ARG 131           HA       ARG 131 105.973  21.226  -4.646
  889    HB2  ARG 131           HB2      ARG 131 108.870  21.969  -5.097
  890    HB3  ARG 131           HB1      ARG 131 107.516  22.892  -5.752
  891    HG2  ARG 131           HG2      ARG 131 106.628  23.226  -3.482
  892    HG3  ARG 131           HG1      ARG 131 107.960  22.285  -2.814
  893    HD2  ARG 131           HD2      ARG 131 109.573  23.927  -3.700
  894    HD3  ARG 131           HD1      ARG 131 108.245  24.865  -4.378
  895    HE   ARG 131           HE       ARG 131 107.723  25.624  -2.228
  896   HH11  ARG 131          HH11      ARG 131 108.206  25.876  -0.020
  897   HH12  ARG 131          HH12      ARG 131 109.383  24.848   0.726
  898   HH21  ARG 131          HH21      ARG 131 110.067  23.079  -2.175
  899   HH22  ARG 131          HH22      ARG 131 110.440  23.267  -0.494
  900    H    GLY 132           HN       GLY 132 105.305  21.535  -6.786
  901    HA2  GLY 132           HA2      GLY 132 105.059  21.045  -9.030
  902    HA3  GLY 132           HA1      GLY 132 106.707  20.422  -9.021
  903    HA   PRO 133           HA       PRO 133 103.743  16.852  -7.451
  904    HB2  PRO 133           HB2      PRO 133 101.225  17.685  -8.803
  905    HB3  PRO 133           HB1      PRO 133 101.464  17.035  -7.171
  906    HG2  PRO 133           HG2      PRO 133 100.879  19.630  -7.625
  907    HG3  PRO 133           HG1      PRO 133 101.885  19.101  -6.264
  908    HD2  PRO 133           HD2      PRO 133 102.717  20.413  -8.824
  909    HD3  PRO 133           HD1      PRO 133 103.434  20.542  -7.202
  910    H    ALA 134           HN       ALA 134 103.537  14.973  -8.620
  911    HA   ALA 134           HA       ALA 134 104.222  15.118 -11.453
  912    HB1  ALA 134           HB1      ALA 134 105.399  13.551  -9.927
  913    HB2  ALA 134           HB2      ALA 134 104.597  12.721 -11.260
  914    HB3  ALA 134           HB3      ALA 134 103.873  12.711  -9.652
  915    H    ARG 135           HN       ARG 135 102.786  14.931 -13.045
  916    HA   ARG 135           HA       ARG 135  99.993  14.510 -12.509
  917    HB2  ARG 135           HB2      ARG 135 101.579  14.706 -15.083
  918    HB3  ARG 135           HB1      ARG 135  99.819  14.591 -15.016
  919    HG2  ARG 135           HG2      ARG 135  99.706  16.649 -13.698
  920    HG3  ARG 135           HG1      ARG 135 101.467  16.753 -13.670
  921    HD2  ARG 135           HD2      ARG 135 101.468  16.894 -16.154
  922    HD3  ARG 135           HD1      ARG 135  99.711  16.866 -16.136
  923    HE   ARG 135           HE       ARG 135  99.703  19.047 -15.183
  924   HH11  ARG 135          HH11      ARG 135 100.700  21.082 -15.110
  925   HH12  ARG 135          HH12      ARG 135 102.412  21.214 -15.335
  926   HH21  ARG 135          HH21      ARG 135 102.900  17.816 -15.765
  927   HH22  ARG 135          HH22      ARG 135 103.650  19.374 -15.708
  928    H    PHE 136           HN       PHE 136  98.872  12.645 -12.585
  929    HA   PHE 136           HA       PHE 136 100.253  10.219 -13.610
  930    HB2  PHE 136           HB2      PHE 136  98.781  10.761 -11.073
  931    HB3  PHE 136           HB1      PHE 136  98.468   9.198 -11.825
  932    HD1  PHE 136           HD1      PHE 136 100.860  11.196  -9.950
  933    HD2  PHE 136           HD2      PHE 136 100.400   7.686 -12.379
  934    HE1  PHE 136           HE1      PHE 136 103.013  10.299  -9.076
  935    HE2  PHE 136           HE2      PHE 136 102.533   6.793 -11.502
  936    HZ   PHE 136           HZ       PHE 136 103.840   8.097  -9.855
  937    H    LEU 137           HN       LEU 137  99.038   8.704 -14.671
  938    HA   LEU 137           HA       LEU 137  96.305   9.438 -15.521
  939    HB2  LEU 137           HB2      LEU 137  98.543   8.401 -17.272
  940    HB3  LEU 137           HB1      LEU 137  96.885   8.685 -17.791
  941    HG   LEU 137           HG       LEU 137  98.576  10.878 -16.569
  942   HD11  LEU 137          HD11      LEU 137  98.287  10.157 -19.502
  943   HD12  LEU 137          HD12      LEU 137  99.759   9.998 -18.543
  944   HD13  LEU 137          HD13      LEU 137  99.093  11.594 -18.876
  945   HD21  LEU 137          HD21      LEU 137  96.263  11.471 -16.625
  946   HD22  LEU 137          HD22      LEU 137  96.041  10.769 -18.226
  947   HD23  LEU 137          HD23      LEU 137  96.971  12.251 -18.035
  948    HA   PRO 138           HA       PRO 138  96.234   5.114 -13.912
  949    HB2  PRO 138           HB2      PRO 138  93.296   5.511 -14.226
  950    HB3  PRO 138           HB1      PRO 138  94.210   4.953 -12.811
  951    HG2  PRO 138           HG2      PRO 138  93.121   7.411 -12.941
  952    HG3  PRO 138           HG1      PRO 138  94.632   7.085 -12.074
  953    HD2  PRO 138           HD2      PRO 138  94.231   8.424 -14.723
  954    HD3  PRO 138           HD1      PRO 138  95.475   8.711 -13.485
  955    H    LEU 139           HN       LEU 139  96.156   3.226 -15.134
  956    HA   LEU 139           HA       LEU 139  94.990   3.416 -17.855
  957    HB2  LEU 139           HB2      LEU 139  97.035   1.324 -17.202
  958    HB3  LEU 139           HB1      LEU 139  96.717   2.141 -18.723
  959    HG   LEU 139           HG       LEU 139  97.957   3.507 -16.314
  960   HD11  LEU 139          HD11      LEU 139  99.174   2.124 -18.709
  961   HD12  LEU 139          HD12      LEU 139  99.555   1.893 -17.003
  962   HD13  LEU 139          HD13      LEU 139 100.036   3.379 -17.820
  963   HD21  LEU 139          HD21      LEU 139  97.605   4.255 -19.228
  964   HD22  LEU 139          HD22      LEU 139  98.581   5.172 -18.082
  965   HD23  LEU 139          HD23      LEU 139  96.840   5.032 -17.844
  966    HA   PRO 140           HA       PRO 140  92.014   0.331 -16.490
  967    HB2  PRO 140           HB2      PRO 140  92.451  -0.878 -19.201
  968    HB3  PRO 140           HB1      PRO 140  90.928  -0.473 -18.382
  969    HG2  PRO 140           HG2      PRO 140  91.923   1.048 -20.353
  970    HG3  PRO 140           HG1      PRO 140  91.040   1.743 -18.983
  971    HD2  PRO 140           HD2      PRO 140  93.963   1.845 -19.571
  972    HD3  PRO 140           HD1      PRO 140  92.950   2.970 -18.639
  973    H    GLY 141           HN       GLY 141  92.395  -1.433 -15.277
  974    HA2  GLY 141           HA2      GLY 141  94.863  -2.678 -15.027
  975    HA3  GLY 141           HA1      GLY 141  93.342  -3.368 -14.470
  Start of MODEL    9
    1    H1   GLY  13           HT1      GLY  13  81.906   1.536 -12.280
    2    H2   GLY  13           HT2      GLY  13  82.108   2.791 -11.153
    3    H3   GLY  13           HT3      GLY  13  80.591   2.053 -11.342
    4    HA2  GLY  13           HA2      GLY  13  81.081   0.365  -9.992
    5    HA3  GLY  13           HA1      GLY  13  82.692   0.197 -10.692
    6    H    GLN  14           HN       GLN  14  81.605   0.389  -7.841
    7    HA   GLN  14           HA       GLN  14  82.538   2.811  -6.691
    8    HB2  GLN  14           HB2      GLN  14  82.285   0.075  -5.409
    9    HB3  GLN  14           HB1      GLN  14  82.409   1.617  -4.560
   10    HG2  GLN  14           HG2      GLN  14  80.197   0.893  -6.498
   11    HG3  GLN  14           HG1      GLN  14  80.054   0.818  -4.744
   12   HE21  GLN  14          HE21      GLN  14  79.205   2.744  -7.257
   13   HE22  GLN  14          HE22      GLN  14  79.260   4.265  -6.505
   14    H    VAL  15           HN       VAL  15  84.018  -0.284  -7.413
   15    HA   VAL  15           HA       VAL  15  86.693   0.852  -6.823
   16    HB   VAL  15           HB       VAL  15  86.283  -0.640  -5.023
   17   HG11  VAL  15          HG11      VAL  15  85.222  -2.524  -7.139
   18   HG12  VAL  15          HG12      VAL  15  84.333  -1.817  -5.789
   19   HG13  VAL  15          HG13      VAL  15  85.576  -3.031  -5.488
   20   HG21  VAL  15          HG21      VAL  15  87.720  -2.395  -7.019
   21   HG22  VAL  15          HG22      VAL  15  88.033  -2.224  -5.292
   22   HG23  VAL  15          HG23      VAL  15  88.452  -0.915  -6.398
   23    H    ARG  16           HN       ARG  16  88.246   0.414  -8.286
   24    HA   ARG  16           HA       ARG  16  87.651  -1.435 -10.522
   25    HB2  ARG  16           HB2      ARG  16  88.369   1.491 -10.783
   26    HB3  ARG  16           HB1      ARG  16  88.454   0.339 -12.117
   27    HG2  ARG  16           HG2      ARG  16  86.052  -0.174 -11.824
   28    HG3  ARG  16           HG1      ARG  16  85.971   0.986 -10.497
   29    HD2  ARG  16           HD2      ARG  16  86.637   2.796 -12.026
   30    HD3  ARG  16           HD1      ARG  16  86.739   1.645 -13.353
   31    HE   ARG  16           HE       ARG  16  84.168   1.410 -12.319
   32   HH11  ARG  16          HH11      ARG  16  82.440   2.555 -13.256
   33   HH12  ARG  16          HH12      ARG  16  82.758   3.981 -14.186
   34   HH21  ARG  16          HH21      ARG  16  86.187   3.858 -13.696
   35   HH22  ARG  16          HH22      ARG  16  84.877   4.726 -14.425
   36    H    GLN  17           HN       GLN  17  89.488  -2.168 -11.671
   37    HA   GLN  17           HA       GLN  17  92.006  -1.950 -10.147
   38    HB2  GLN  17           HB2      GLN  17  92.473  -3.894 -12.025
   39    HB3  GLN  17           HB1      GLN  17  91.829  -4.218 -10.419
   40    HG2  GLN  17           HG2      GLN  17  89.564  -4.131 -11.271
   41    HG3  GLN  17           HG1      GLN  17  90.146  -3.661 -12.866
   42   HE21  GLN  17          HE21      GLN  17  92.480  -5.526 -12.774
   43   HE22  GLN  17          HE22      GLN  17  91.835  -7.084 -12.961
   44    H    ARG  18           HN       ARG  18  93.501  -0.575 -10.851
   45    HA   ARG  18           HA       ARG  18  93.958  -0.266 -13.739
   46    HB2  ARG  18           HB2      ARG  18  93.412   2.064 -11.884
   47    HB3  ARG  18           HB1      ARG  18  93.940   2.190 -13.562
   48    HG2  ARG  18           HG2      ARG  18  91.887   0.922 -14.237
   49    HG3  ARG  18           HG1      ARG  18  91.345   0.990 -12.565
   50    HD2  ARG  18           HD2      ARG  18  91.407   3.456 -12.644
   51    HD3  ARG  18           HD1      ARG  18  91.923   3.384 -14.327
   52    HE   ARG  18           HE       ARG  18  89.586   1.895 -14.181
   53   HH11  ARG  18          HH11      ARG  18  87.572   2.827 -14.668
   54   HH12  ARG  18          HH12      ARG  18  87.367   4.542 -14.552
   55   HH21  ARG  18          HH21      ARG  18  90.630   5.129 -13.534
   56   HH22  ARG  18          HH22      ARG  18  89.100   5.848 -13.917
   57    H    TYR  19           HN       TYR  19  95.988   0.740 -14.249
   58    HA   TYR  19           HA       TYR  19  98.054   0.306 -12.172
   59    HB2  TYR  19           HB2      TYR  19  98.169   0.673 -15.176
   60    HB3  TYR  19           HB1      TYR  19  99.607   0.644 -14.164
   61    HD1  TYR  19           HD1      TYR  19  96.607  -1.338 -15.146
   62    HD2  TYR  19           HD2      TYR  19 100.539  -1.407 -13.419
   63    HE1  TYR  19           HE1      TYR  19  96.592  -3.816 -15.207
   64    HE2  TYR  19           HE2      TYR  19 100.521  -3.886 -13.474
   65    HH   TYR  19           HH       TYR  19  97.948  -5.665 -15.081
   66    H    LEU  20           HN       LEU  20  99.182   2.030 -11.307
   67    HA   LEU  20           HA       LEU  20  98.410   4.726 -12.222
   68    HB2  LEU  20           HB2      LEU  20  98.606   3.680  -9.698
   69    HB3  LEU  20           HB1      LEU  20 100.201   4.394  -9.858
   70    HG   LEU  20           HG       LEU  20  98.977   6.525 -10.660
   71   HD11  LEU  20          HD11      LEU  20  96.758   5.882 -11.080
   72   HD12  LEU  20          HD12      LEU  20  96.633   6.618  -9.485
   73   HD13  LEU  20          HD13      LEU  20  96.672   4.865  -9.643
   74   HD21  LEU  20          HD21      LEU  20  98.596   7.251  -8.331
   75   HD22  LEU  20          HD22      LEU  20 100.072   6.297  -8.458
   76   HD23  LEU  20          HD23      LEU  20  98.607   5.568  -7.804
   77    H    TYR  21           HN       TYR  21  99.712   5.706 -13.653
   78    HA   TYR  21           HA       TYR  21 102.636   5.220 -13.519
   79    HB2  TYR  21           HB2      TYR  21 102.407   4.038 -15.455
   80    HB3  TYR  21           HB1      TYR  21 100.747   4.572 -15.665
   81    HD1  TYR  21           HD1      TYR  21 104.296   5.409 -16.352
   82    HD2  TYR  21           HD2      TYR  21 100.189   6.439 -17.067
   83    HE1  TYR  21           HE1      TYR  21 104.994   6.919 -18.195
   84    HE2  TYR  21           HE2      TYR  21 100.884   7.943 -18.910
   85    HH   TYR  21           HH       TYR  21 103.546   7.830 -20.470
   86    H    THR  22           HN       THR  22 103.953   6.939 -14.080
   87    HA   THR  22           HA       THR  22 102.686   9.514 -14.758
   88    HB   THR  22           HB       THR  22 102.906   9.705 -12.390
   89    HG1  THR  22           HG1      THR  22 103.791  11.564 -12.738
   90   HG21  THR  22          HG21      THR  22 105.745   8.745 -12.747
   91   HG22  THR  22          HG22      THR  22 104.424   7.758 -12.137
   92   HG23  THR  22          HG23      THR  22 104.969   9.163 -11.223
   93    H    SER  23           HN       SER  23 104.185  11.101 -15.551
   94    HA   SER  23           HA       SER  23 106.586   9.904 -16.828
   95    HB2  SER  23           HB2      SER  23 104.743  12.094 -17.803
   96    HB3  SER  23           HB1      SER  23 106.235  11.607 -18.601
   97    HG   SER  23           HG       SER  23 105.008   9.389 -18.229
   98    H    GLY  24           HN       GLY  24 108.465  10.717 -16.158
   99    HA2  GLY  24           HA2      GLY  24 108.489  13.307 -14.734
  100    HA3  GLY  24           HA1      GLY  24 109.723  12.056 -14.611
  101    HA   PRO  25           HA       PRO  25 110.660  15.377 -17.941
  102    HB2  PRO  25           HB2      PRO  25 112.549  16.840 -16.562
  103    HB3  PRO  25           HB1      PRO  25 110.820  17.240 -16.582
  104    HG2  PRO  25           HG2      PRO  25 112.400  15.787 -14.503
  105    HG3  PRO  25           HG1      PRO  25 111.136  17.015 -14.302
  106    HD2  PRO  25           HD2      PRO  25 110.634  14.360 -13.972
  107    HD3  PRO  25           HD1      PRO  25 109.409  15.483 -14.607
  108    H    HIS  26           HN       HIS  26 112.359  15.107 -19.348
  109    HA   HIS  26           HA       HIS  26 114.040  13.829 -20.323
  110    HB2  HIS  26           HB2      HIS  26 115.339  15.006 -17.860
  111    HB3  HIS  26           HB1      HIS  26 116.240  14.232 -19.164
  112    HD2  HIS  26           HD2      HIS  26 116.343  15.719 -21.590
  113    HE1  HIS  26           HE1      HIS  26 114.422  19.158 -20.069
  114    HE2  HIS  26           HE2      HIS  26 115.727  18.218 -22.034
  115    H    GLY  27           HN       GLY  27 112.308  12.295 -18.525
  116    HA2  GLY  27           HA2      GLY  27 113.845  10.566 -16.875
  117    HA3  GLY  27           HA1      GLY  27 112.215  10.258 -17.458
  118    H    LEU  28           HN       LEU  28 114.293   8.330 -17.195
  119    HA   LEU  28           HA       LEU  28 115.595   7.709 -19.632
  120    HB2  LEU  28           HB2      LEU  28 114.655   5.914 -17.376
  121    HB3  LEU  28           HB1      LEU  28 115.679   5.385 -18.703
  122    HG   LEU  28           HG       LEU  28 117.315   7.215 -18.039
  123   HD11  LEU  28          HD11      LEU  28 116.093   8.704 -16.685
  124   HD12  LEU  28          HD12      LEU  28 117.032   7.797 -15.507
  125   HD13  LEU  28          HD13      LEU  28 115.333   7.404 -15.766
  126   HD21  LEU  28          HD21      LEU  28 118.087   5.877 -15.992
  127   HD22  LEU  28          HD22      LEU  28 117.849   4.955 -17.476
  128   HD23  LEU  28          HD23      LEU  28 116.629   4.906 -16.203
  129    H    SER  29           HN       SER  29 112.512   6.769 -18.224
  130    HA   SER  29           HA       SER  29 111.259   6.392 -20.771
  131    HB2  SER  29           HB2      SER  29 112.533   4.296 -20.653
  132    HB3  SER  29           HB1      SER  29 111.840   3.952 -19.072
  133    HG   SER  29           HG       SER  29 110.538   2.905 -20.469
  134    H    SER  30           HN       SER  30 109.109   4.841 -20.044
  135    HA   SER  30           HA       SER  30 107.624   6.630 -18.427
  136    HB2  SER  30           HB2      SER  30 107.072   3.911 -19.569
  137    HB3  SER  30           HB1      SER  30 105.929   4.659 -18.455
  138    HG   SER  30           HG       SER  30 105.428   5.226 -20.579
  139    H    CYS  31           HN       CYS  31 106.834   6.440 -16.340
  140    HA   CYS  31           HA       CYS  31 108.275   4.494 -14.627
  141    HB2  CYS  31           HB2      CYS  31 107.807   7.385 -14.395
  142    HB3  CYS  31           HB1      CYS  31 107.348   6.516 -12.936
  143    H    HIS  32           HN       HIS  32 107.078   2.945 -13.853
  144    HA   HIS  32           HA       HIS  32 104.162   3.343 -13.507
  145    HB2  HIS  32           HB2      HIS  32 105.742   0.774 -13.801
  146    HB3  HIS  32           HB1      HIS  32 103.992   0.903 -13.641
  147    HD2  HIS  32           HD2      HIS  32 102.667   1.348 -16.032
  148    HE1  HIS  32           HE1      HIS  32 106.050   2.142 -18.421
  149    HE2  HIS  32           HE2      HIS  32 103.534   1.808 -18.450
  150    H    LEU  33           HN       LEU  33 103.589   3.686 -11.476
  151    HA   LEU  33           HA       LEU  33 105.245   3.373  -9.229
  152    HB2  LEU  33           HB2      LEU  33 102.963   4.668  -9.594
  153    HB3  LEU  33           HB1      LEU  33 102.250   3.193  -8.964
  154    HG   LEU  33           HG       LEU  33 104.310   4.950  -7.594
  155   HD11  LEU  33          HD11      LEU  33 101.392   4.332  -7.098
  156   HD12  LEU  33          HD12      LEU  33 102.123   5.904  -7.424
  157   HD13  LEU  33          HD13      LEU  33 102.427   5.092  -5.889
  158   HD21  LEU  33          HD21      LEU  33 104.912   2.795  -6.903
  159   HD22  LEU  33          HD22      LEU  33 103.244   2.212  -6.923
  160   HD23  LEU  33          HD23      LEU  33 103.784   3.307  -5.651
  161    H    GLU  34           HN       GLU  34 105.846   1.618  -8.137
  162    HA   GLU  34           HA       GLU  34 104.129  -0.788  -8.175
  163    HB2  GLU  34           HB2      GLU  34 106.259  -2.144  -8.277
  164    HB3  GLU  34           HB1      GLU  34 105.836  -1.303  -9.766
  165    HG2  GLU  34           HG2      GLU  34 107.447   0.418  -9.358
  166    HG3  GLU  34           HG1      GLU  34 107.721  -0.139  -7.709
  167    H    ILE  35           HN       ILE  35 104.006  -1.885  -6.291
  168    HA   ILE  35           HA       ILE  35 105.409  -0.698  -3.959
  169    HB   ILE  35           HB       ILE  35 102.911  -2.418  -4.019
  170   HG12  ILE  35          HG12      ILE  35 103.233   0.563  -3.529
  171   HG13  ILE  35          HG11      ILE  35 102.625  -0.147  -5.026
  172   HG21  ILE  35          HG21      ILE  35 104.251  -0.844  -1.792
  173   HG22  ILE  35          HG22      ILE  35 104.223  -2.602  -1.926
  174   HG23  ILE  35          HG23      ILE  35 102.727  -1.718  -1.649
  175   HD11  ILE  35          HD11      ILE  35 100.716   0.477  -3.677
  176   HD12  ILE  35          HD12      ILE  35 101.379  -0.361  -2.273
  177   HD13  ILE  35          HD13      ILE  35 100.831  -1.284  -3.673
  178    H    ARG  36           HN       ARG  36 106.869  -1.858  -2.904
  179    HA   ARG  36           HA       ARG  36 107.534  -4.527  -3.808
  180    HB2  ARG  36           HB2      ARG  36 108.714  -2.538  -1.904
  181    HB3  ARG  36           HB1      ARG  36 109.209  -4.219  -1.764
  182    HG2  ARG  36           HG2      ARG  36 110.783  -3.142  -3.218
  183    HG3  ARG  36           HG1      ARG  36 109.770  -4.160  -4.238
  184    HD2  ARG  36           HD2      ARG  36 108.410  -2.222  -4.862
  185    HD3  ARG  36           HD1      ARG  36 109.346  -1.192  -3.782
  186    HE   ARG  36           HE       ARG  36 110.144  -2.126  -6.403
  187   HH11  ARG  36          HH11      ARG  36 112.149  -1.382  -7.145
  188   HH12  ARG  36          HH12      ARG  36 113.256  -0.633  -6.042
  189   HH21  ARG  36          HH21      ARG  36 111.153  -0.968  -3.300
  190   HH22  ARG  36          HH22      ARG  36 112.687  -0.394  -3.860
  191    H    GLU  37           HN       GLU  37 107.722  -6.334  -2.380
  192    HA   GLU  37           HA       GLU  37 105.399  -6.737  -0.768
  193    HB2  GLU  37           HB2      GLU  37 107.892  -8.446  -0.940
  194    HB3  GLU  37           HB1      GLU  37 106.295  -8.951  -0.383
  195    HG2  GLU  37           HG2      GLU  37 105.361  -8.464  -2.612
  196    HG3  GLU  37           HG1      GLU  37 106.958  -7.969  -3.167
  197    H    ASP  38           HN       ASP  38 108.604  -5.632  -0.270
  198    HA   ASP  38           HA       ASP  38 108.696  -6.126   2.564
  199    HB2  ASP  38           HB2      ASP  38 110.384  -4.371   0.768
  200    HB3  ASP  38           HB1      ASP  38 110.727  -4.703   2.463
  201    H    GLY  39           HN       GLY  39 107.039  -3.945   0.637
  202    HA2  GLY  39           HA2      GLY  39 105.510  -2.351   1.510
  203    HA3  GLY  39           HA1      GLY  39 106.497  -2.209   2.957
  204    H    THR  40           HN       THR  40 108.380  -2.172   0.121
  205    HA   THR  40           HA       THR  40 108.886   0.692   0.473
  206    HB   THR  40           HB       THR  40 110.283  -0.884  -1.651
  207    HG1  THR  40           HG1      THR  40 111.697  -1.435   0.322
  208   HG21  THR  40          HG21      THR  40 112.212   0.401  -0.813
  209   HG22  THR  40          HG22      THR  40 111.200   1.083   0.460
  210   HG23  THR  40          HG23      THR  40 110.866   1.460  -1.230
  211    H    VAL  41           HN       VAL  41 109.079   2.068  -1.524
  212    HA   VAL  41           HA       VAL  41 107.101   1.324  -3.603
  213    HB   VAL  41           HB       VAL  41 107.206   3.909  -2.035
  214   HG11  VAL  41          HG11      VAL  41 105.915   3.208  -4.671
  215   HG12  VAL  41          HG12      VAL  41 106.810   4.663  -4.231
  216   HG13  VAL  41          HG13      VAL  41 105.179   4.411  -3.612
  217   HG21  VAL  41          HG21      VAL  41 105.968   1.937  -1.075
  218   HG22  VAL  41          HG22      VAL  41 104.955   1.934  -2.518
  219   HG23  VAL  41          HG23      VAL  41 104.931   3.318  -1.427
  220    H    GLY  42           HN       GLY  42 107.597   1.921  -5.642
  221    HA2  GLY  42           HA2      GLY  42 109.507   3.979  -6.264
  222    HA3  GLY  42           HA1      GLY  42 110.165   2.359  -6.491
  223    H    CYS  43           HN       CYS  43 110.032   3.886  -8.697
  224    HA   CYS  43           HA       CYS  43 107.524   3.276 -10.105
  225    HB2  CYS  43           HB2      CYS  43 107.959   5.261 -11.112
  226    HB3  CYS  43           HB1      CYS  43 109.466   5.383 -10.223
  227    H    ALA  44           HN       ALA  44 107.618   2.304 -12.259
  228    HA   ALA  44           HA       ALA  44 109.949   0.556 -12.764
  229    HB1  ALA  44           HB1      ALA  44 107.119  -0.274 -12.239
  230    HB2  ALA  44           HB2      ALA  44 108.618  -1.084 -11.799
  231    HB3  ALA  44           HB3      ALA  44 108.026  -1.171 -13.457
  232    H    ALA  45           HN       ALA  45 110.385   0.240 -14.917
  233    HA   ALA  45           HA       ALA  45 108.741   1.787 -16.842
  234    HB1  ALA  45           HB1      ALA  45 110.738   1.863 -18.225
  235    HB2  ALA  45           HB2      ALA  45 111.591   0.788 -17.117
  236    HB3  ALA  45           HB3      ALA  45 111.143   2.414 -16.599
  237    H    ASP  46           HN       ASP  46 109.265  -1.337 -15.797
  238    HA   ASP  46           HA       ASP  46 108.756  -2.534 -18.462
  239    HB2  ASP  46           HB2      ASP  46 110.769  -3.270 -17.179
  240    HB3  ASP  46           HB1      ASP  46 109.687  -3.877 -15.928
  241    H    GLN  47           HN       GLN  47 106.803  -1.341 -16.320
  242    HA   GLN  47           HA       GLN  47 104.772  -1.908 -15.371
  243    HB2  GLN  47           HB2      GLN  47 104.801  -3.442 -17.964
  244    HB3  GLN  47           HB1      GLN  47 103.378  -3.371 -16.925
  245    HG2  GLN  47           HG2      GLN  47 103.409  -0.917 -17.045
  246    HG3  GLN  47           HG1      GLN  47 104.838  -0.975 -18.069
  247   HE21  GLN  47          HE21      GLN  47 102.842   0.332 -19.266
  248   HE22  GLN  47          HE22      GLN  47 102.025  -0.624 -20.406
  249    H    SER  48           HN       SER  48 105.152  -2.950 -13.490
  250    HA   SER  48           HA       SER  48 105.548  -5.883 -13.542
  251    HB2  SER  48           HB2      SER  48 106.073  -5.381 -11.029
  252    HB3  SER  48           HB1      SER  48 107.267  -4.957 -12.252
  253    HG   SER  48           HG       SER  48 105.871  -3.356 -10.573
  254    HA   PRO  49           HA       PRO  49 101.407  -6.527 -12.176
  255    HB2  PRO  49           HB2      PRO  49 101.756  -8.533 -10.274
  256    HB3  PRO  49           HB1      PRO  49 101.691  -8.801 -12.023
  257    HG2  PRO  49           HG2      PRO  49 104.069  -8.582 -10.232
  258    HG3  PRO  49           HG1      PRO  49 103.791  -9.662 -11.611
  259    HD2  PRO  49           HD2      PRO  49 105.360  -7.468 -11.829
  260    HD3  PRO  49           HD1      PRO  49 104.341  -8.018 -13.181
  261    H    GLU  50           HN       GLU  50 103.853  -6.026  -9.698
  262    HA   GLU  50           HA       GLU  50 102.120  -5.499  -7.529
  263    HB2  GLU  50           HB2      GLU  50 104.263  -4.030  -6.822
  264    HB3  GLU  50           HB1      GLU  50 104.266  -5.788  -6.729
  265    HG2  GLU  50           HG2      GLU  50 105.404  -5.979  -8.837
  266    HG3  GLU  50           HG1      GLU  50 105.186  -4.262  -9.173
  267    H    SER  51           HN       SER  51 102.564  -3.788 -10.383
  268    HA   SER  51           HA       SER  51 102.103  -1.145  -9.252
  269    HB2  SER  51           HB2      SER  51 102.328  -2.111 -12.106
  270    HB3  SER  51           HB1      SER  51 102.126  -0.432 -11.633
  271    HG   SER  51           HG       SER  51 104.055  -0.998 -10.213
  272    H    LEU  52           HN       LEU  52 100.214  -3.776  -9.947
  273    HA   LEU  52           HA       LEU  52  97.931  -2.384 -11.063
  274    HB2  LEU  52           HB2      LEU  52  98.702  -4.921 -11.278
  275    HB3  LEU  52           HB1      LEU  52  97.772  -5.108  -9.794
  276    HG   LEU  52           HG       LEU  52  96.742  -3.980 -12.413
  277   HD11  LEU  52          HD11      LEU  52  96.377  -6.606 -10.970
  278   HD12  LEU  52          HD12      LEU  52  96.907  -6.339 -12.628
  279   HD13  LEU  52          HD13      LEU  52  95.227  -6.043 -12.180
  280   HD21  LEU  52          HD21      LEU  52  95.467  -4.312  -9.690
  281   HD22  LEU  52          HD22      LEU  52  94.523  -4.153 -11.168
  282   HD23  LEU  52          HD23      LEU  52  95.583  -2.844 -10.661
  283    H    LEU  53           HN       LEU  53  96.753  -1.081  -9.800
  284    HA   LEU  53           HA       LEU  53  96.438  -1.761  -6.924
  285    HB2  LEU  53           HB2      LEU  53  96.606   0.944  -8.245
  286    HB3  LEU  53           HB1      LEU  53  96.302   0.669  -6.530
  287    HG   LEU  53           HG       LEU  53  98.727  -0.627  -7.764
  288   HD11  LEU  53          HD11      LEU  53 100.052   1.423  -7.286
  289   HD12  LEU  53          HD12      LEU  53  98.551   2.298  -6.985
  290   HD13  LEU  53          HD13      LEU  53  98.891   1.656  -8.591
  291   HD21  LEU  53          HD21      LEU  53  99.574  -0.540  -5.566
  292   HD22  LEU  53          HD22      LEU  53  97.858  -0.847  -5.315
  293   HD23  LEU  53          HD23      LEU  53  98.500   0.779  -5.098
  294    H    GLN  54           HN       GLN  54  94.477  -2.040  -6.184
  295    HA   GLN  54           HA       GLN  54  92.166  -1.454  -7.886
  296    HB2  GLN  54           HB2      GLN  54  92.432  -2.829  -5.202
  297    HB3  GLN  54           HB1      GLN  54  90.893  -2.567  -6.025
  298    HG2  GLN  54           HG2      GLN  54  91.739  -3.820  -7.985
  299    HG3  GLN  54           HG1      GLN  54  93.255  -4.103  -7.134
  300   HE21  GLN  54          HE21      GLN  54  92.151  -6.431  -7.767
  301   HE22  GLN  54          HE22      GLN  54  91.301  -7.136  -6.477
  302    H    LEU  55           HN       LEU  55  91.672   0.692  -7.874
  303    HA   LEU  55           HA       LEU  55  91.930   2.223  -5.431
  304    HB2  LEU  55           HB2      LEU  55  91.500   4.153  -6.716
  305    HB3  LEU  55           HB1      LEU  55  92.523   3.113  -7.700
  306    HG   LEU  55           HG       LEU  55  90.107   2.229  -8.543
  307   HD11  LEU  55          HD11      LEU  55  88.392   3.784  -8.474
  308   HD12  LEU  55          HD12      LEU  55  89.486   5.161  -8.341
  309   HD13  LEU  55          HD13      LEU  55  89.162   4.155  -6.935
  310   HD21  LEU  55          HD21      LEU  55  90.349   3.823 -10.455
  311   HD22  LEU  55          HD22      LEU  55  91.869   3.043 -10.017
  312   HD23  LEU  55          HD23      LEU  55  91.559   4.709  -9.524
  313    H    LYS  56           HN       LYS  56  90.471   2.342  -3.938
  314    HA   LYS  56           HA       LYS  56  87.661   1.677  -4.575
  315    HB2  LYS  56           HB2      LYS  56  89.146   1.770  -1.927
  316    HB3  LYS  56           HB1      LYS  56  87.444   1.353  -2.123
  317    HG2  LYS  56           HG2      LYS  56  88.081  -0.549  -3.568
  318    HG3  LYS  56           HG1      LYS  56  89.781  -0.140  -3.352
  319    HD2  LYS  56           HD2      LYS  56  89.572  -0.502  -0.927
  320    HD3  LYS  56           HD1      LYS  56  87.862  -0.885  -1.126
  321    HE2  LYS  56           HE2      LYS  56  88.980  -2.991  -1.043
  322    HE3  LYS  56           HE1      LYS  56  88.607  -2.721  -2.746
  323    HZ1  LYS  56           HZ1      LYS  56  91.116  -3.087  -1.552
  324    HZ2  LYS  56           HZ2      LYS  56  91.064  -1.515  -2.194
  325    HZ3  LYS  56           HZ3      LYS  56  90.756  -2.853  -3.193
  326    H    ALA  57           HN       ALA  57  86.039   3.084  -4.149
  327    HA   ALA  57           HA       ALA  57  86.807   5.864  -3.539
  328    HB1  ALA  57           HB1      ALA  57  85.442   5.387  -5.555
  329    HB2  ALA  57           HB2      ALA  57  84.599   6.432  -4.411
  330    HB3  ALA  57           HB3      ALA  57  84.180   4.721  -4.520
  331    H    LEU  58           HN       LEU  58  86.953   6.057  -1.319
  332    HA   LEU  58           HA       LEU  58  85.175   4.706   0.477
  333    HB2  LEU  58           HB2      LEU  58  86.793   7.199   1.043
  334    HB3  LEU  58           HB1      LEU  58  86.163   6.054   2.221
  335    HG   LEU  58           HG       LEU  58  88.340   5.554   0.171
  336   HD11  LEU  58          HD11      LEU  58  89.644   5.076   2.273
  337   HD12  LEU  58          HD12      LEU  58  88.254   5.627   3.201
  338   HD13  LEU  58          HD13      LEU  58  89.106   6.749   2.142
  339   HD21  LEU  58          HD21      LEU  58  87.137   3.502   0.255
  340   HD22  LEU  58          HD22      LEU  58  86.816   3.670   1.983
  341   HD23  LEU  58          HD23      LEU  58  88.444   3.294   1.418
  342    H    LYS  59           HN       LYS  59  85.485   8.054  -0.581
  343    HA   LYS  59           HA       LYS  59  82.602   8.505  -0.240
  344    HB2  LYS  59           HB2      LYS  59  84.697  10.436   0.803
  345    HB3  LYS  59           HB1      LYS  59  82.959  10.566   0.983
  346    HG2  LYS  59           HG2      LYS  59  82.890   8.665   2.473
  347    HG3  LYS  59           HG1      LYS  59  84.585   8.304   2.169
  348    HD2  LYS  59           HD2      LYS  59  83.881  11.029   3.230
  349    HD3  LYS  59           HD1      LYS  59  83.873   9.661   4.341
  350    HE2  LYS  59           HE2      LYS  59  86.189   9.133   3.779
  351    HE3  LYS  59           HE1      LYS  59  86.211  10.402   2.558
  352    HZ1  LYS  59           HZ1      LYS  59  85.349  11.449   5.038
  353    HZ2  LYS  59           HZ2      LYS  59  86.688  11.895   4.094
  354    HZ3  LYS  59           HZ3      LYS  59  86.832  10.648   5.238
  355    HA   PRO  60           HA       PRO  60  83.181  10.453  -4.181
  356    HB2  PRO  60           HB2      PRO  60  81.652  12.805  -3.827
  357    HB3  PRO  60           HB1      PRO  60  81.038  11.244  -4.400
  358    HG2  PRO  60           HG2      PRO  60  80.940  12.423  -1.664
  359    HG3  PRO  60           HG1      PRO  60  79.744  11.420  -2.507
  360    HD2  PRO  60           HD2      PRO  60  81.303  10.380  -0.583
  361    HD3  PRO  60           HD1      PRO  60  80.869   9.427  -2.019
  362    H    GLY  61           HN       GLY  61  85.147  11.248  -4.594
  363    HA2  GLY  61           HA2      GLY  61  86.574  13.144  -4.924
  364    HA3  GLY  61           HA1      GLY  61  85.949  13.850  -3.438
  365    H    VAL  62           HN       VAL  62  86.231  10.904  -2.360
  366    HA   VAL  62           HA       VAL  62  89.146  11.038  -1.789
  367    HB   VAL  62           HB       VAL  62  86.914  10.207   0.089
  368   HG11  VAL  62          HG11      VAL  62  88.897   8.863   0.485
  369   HG12  VAL  62          HG12      VAL  62  88.812  10.096   1.742
  370   HG13  VAL  62          HG13      VAL  62  89.928  10.290   0.390
  371   HG21  VAL  62          HG21      VAL  62  88.791  12.594   0.067
  372   HG22  VAL  62          HG22      VAL  62  87.699  12.185   1.394
  373   HG23  VAL  62          HG23      VAL  62  87.044  12.639  -0.180
  374    H    ILE  63           HN       ILE  63  90.267   9.203  -2.163
  375    HA   ILE  63           HA       ILE  63  88.785   6.661  -2.487
  376    HB   ILE  63           HB       ILE  63  89.946   6.168  -4.527
  377   HG12  ILE  63          HG12      ILE  63  91.313   8.440  -5.367
  378   HG13  ILE  63          HG11      ILE  63  91.682   8.431  -3.646
  379   HG21  ILE  63          HG21      ILE  63  88.940   7.810  -5.969
  380   HG22  ILE  63          HG22      ILE  63  89.000   9.040  -4.706
  381   HG23  ILE  63          HG23      ILE  63  87.907   7.665  -4.547
  382   HD11  ILE  63          HD11      ILE  63  93.400   7.161  -4.741
  383   HD12  ILE  63          HD12      ILE  63  92.217   6.231  -5.659
  384   HD13  ILE  63          HD13      ILE  63  92.367   5.994  -3.920
  385    H    GLN  64           HN       GLN  64  90.241   4.783  -2.561
  386    HA   GLN  64           HA       GLN  64  92.762   5.124  -1.035
  387    HB2  GLN  64           HB2      GLN  64  90.921   4.352   0.476
  388    HB3  GLN  64           HB1      GLN  64  90.697   2.951  -0.570
  389    HG2  GLN  64           HG2      GLN  64  93.010   2.253  -0.165
  390    HG3  GLN  64           HG1      GLN  64  93.278   3.673   0.844
  391   HE21  GLN  64          HE21      GLN  64  93.635   1.105   1.946
  392   HE22  GLN  64          HE22      GLN  64  92.400   0.803   3.069
  393    H    ILE  65           HN       ILE  65  94.413   3.696  -1.689
  394    HA   ILE  65           HA       ILE  65  93.753   1.966  -4.016
  395    HB   ILE  65           HB       ILE  65  96.365   2.444  -4.439
  396   HG12  ILE  65          HG12      ILE  65  95.365   4.971  -3.085
  397   HG13  ILE  65          HG11      ILE  65  96.531   3.853  -2.375
  398   HG21  ILE  65          HG21      ILE  65  94.458   2.937  -5.989
  399   HG22  ILE  65          HG22      ILE  65  95.714   4.172  -6.020
  400   HG23  ILE  65          HG23      ILE  65  94.212   4.464  -5.142
  401   HD11  ILE  65          HD11      ILE  65  97.840   5.560  -3.387
  402   HD12  ILE  65          HD12      ILE  65  96.845   5.564  -4.844
  403   HD13  ILE  65          HD13      ILE  65  97.912   4.201  -4.511
  404    H    LEU  66           HN       LEU  66  94.085  -0.082  -3.816
  405    HA   LEU  66           HA       LEU  66  95.968  -1.099  -1.775
  406    HB2  LEU  66           HB2      LEU  66  93.602  -1.312  -1.086
  407    HB3  LEU  66           HB1      LEU  66  93.241  -2.183  -2.564
  408    HG   LEU  66           HG       LEU  66  93.632  -3.479  -0.312
  409   HD11  LEU  66          HD11      LEU  66  93.227  -4.944  -1.988
  410   HD12  LEU  66          HD12      LEU  66  94.941  -5.298  -1.810
  411   HD13  LEU  66          HD13      LEU  66  94.390  -4.218  -3.086
  412   HD21  LEU  66          HD21      LEU  66  96.503  -3.289  -1.254
  413   HD22  LEU  66          HD22      LEU  66  95.896  -4.162   0.143
  414   HD23  LEU  66          HD23      LEU  66  95.858  -2.403   0.124
  415    H    GLY  67           HN       GLY  67  97.529  -2.335  -2.620
  416    HA2  GLY  67           HA2      GLY  67  97.456  -3.138  -5.397
  417    HA3  GLY  67           HA1      GLY  67  98.776  -3.403  -4.270
  418    H    VAL  68           HN       VAL  68  96.966  -5.062  -6.211
  419    HA   VAL  68           HA       VAL  68  95.691  -7.027  -4.589
  420    HB   VAL  68           HB       VAL  68  95.386  -8.234  -6.654
  421   HG11  VAL  68          HG11      VAL  68  94.401  -6.433  -8.038
  422   HG12  VAL  68          HG12      VAL  68  95.295  -5.232  -7.103
  423   HG13  VAL  68          HG13      VAL  68  94.036  -6.196  -6.330
  424   HG21  VAL  68          HG21      VAL  68  96.526  -7.219  -8.741
  425   HG22  VAL  68          HG22      VAL  68  97.530  -8.199  -7.677
  426   HG23  VAL  68          HG23      VAL  68  97.624  -6.439  -7.605
  427    H    LYS  69           HN       LYS  69  98.800  -6.977  -6.312
  428    HA   LYS  69           HA       LYS  69  99.560  -9.607  -5.608
  429    HB2  LYS  69           HB2      LYS  69 100.574  -8.411  -7.488
  430    HB3  LYS  69           HB1      LYS  69 101.287  -7.256  -6.367
  431    HG2  LYS  69           HG2      LYS  69 102.603  -9.013  -5.315
  432    HG3  LYS  69           HG1      LYS  69 101.835 -10.232  -6.330
  433    HD2  LYS  69           HD2      LYS  69 102.806  -9.168  -8.323
  434    HD3  LYS  69           HD1      LYS  69 103.558  -7.941  -7.306
  435    HE2  LYS  69           HE2      LYS  69 104.810  -9.703  -6.112
  436    HE3  LYS  69           HE1      LYS  69 104.072 -10.925  -7.149
  437    HZ1  LYS  69           HZ1      LYS  69 106.336 -10.154  -7.839
  438    HZ2  LYS  69           HZ2      LYS  69 105.647  -8.645  -8.203
  439    HZ3  LYS  69           HZ3      LYS  69 105.144 -10.035  -9.040
  440    H    THR  70           HN       THR  70 100.352  -6.466  -4.140
  441    HA   THR  70           HA       THR  70 101.889  -7.797  -2.046
  442    HB   THR  70           HB       THR  70 102.154  -5.388  -1.229
  443    HG1  THR  70           HG1      THR  70 100.224  -4.853  -2.653
  444   HG21  THR  70          HG21      THR  70 103.751  -4.865  -3.069
  445   HG22  THR  70          HG22      THR  70 103.060  -6.190  -4.008
  446   HG23  THR  70          HG23      THR  70 103.894  -6.523  -2.491
  447    H    SER  71           HN       SER  71  98.669  -6.563  -2.483
  448    HA   SER  71           HA       SER  71  96.866  -6.488  -1.057
  449    HB2  SER  71           HB2      SER  71  96.638  -8.332   0.288
  450    HB3  SER  71           HB1      SER  71  98.100  -8.848  -0.547
  451    HG   SER  71           HG       SER  71  97.843  -7.595   1.981
  452    H    ARG  72           HN       ARG  72  99.238  -4.630  -0.750
  453    HA   ARG  72           HA       ARG  72  98.845  -3.808   2.067
  454    HB2  ARG  72           HB2      ARG  72 101.105  -3.320   0.121
  455    HB3  ARG  72           HB1      ARG  72 100.942  -2.459   1.646
  456    HG2  ARG  72           HG2      ARG  72 101.001  -4.586   2.877
  457    HG3  ARG  72           HG1      ARG  72 101.130  -5.469   1.356
  458    HD2  ARG  72           HD2      ARG  72 103.242  -4.286   0.855
  459    HD3  ARG  72           HD1      ARG  72 103.122  -3.430   2.388
  460    HE   ARG  72           HE       ARG  72 103.911  -6.201   2.003
  461   HH11  ARG  72          HH11      ARG  72 104.640  -7.254   3.873
  462   HH12  ARG  72          HH12      ARG  72 104.387  -6.529   5.426
  463   HH21  ARG  72          HH21      ARG  72 102.741  -3.752   4.149
  464   HH22  ARG  72          HH22      ARG  72 103.297  -4.548   5.584
  465    H    PHE  73           HN       PHE  73  98.167  -1.766   2.529
  466    HA   PHE  73           HA       PHE  73  96.940  -0.252   0.353
  467    HB2  PHE  73           HB2      PHE  73  96.986   0.252   3.343
  468    HB3  PHE  73           HB1      PHE  73  95.990   1.107   2.166
  469    HD1  PHE  73           HD1      PHE  73  96.328  -1.891   4.204
  470    HD2  PHE  73           HD2      PHE  73  94.261  -0.167   0.848
  471    HE1  PHE  73           HE1      PHE  73  94.567  -3.629   4.388
  472    HE2  PHE  73           HE2      PHE  73  92.507  -1.907   1.036
  473    HZ   PHE  73           HZ       PHE  73  92.661  -3.638   2.803
  474    H    LEU  74           HN       LEU  74  97.964   1.396  -0.639
  475    HA   LEU  74           HA       LEU  74 100.537   2.282   0.280
  476    HB2  LEU  74           HB2      LEU  74 100.204   2.194  -2.081
  477    HB3  LEU  74           HB1      LEU  74  98.745   3.176  -1.983
  478    HG   LEU  74           HG       LEU  74 100.015   5.139  -1.368
  479   HD11  LEU  74          HD11      LEU  74 102.281   3.168  -1.061
  480   HD12  LEU  74          HD12      LEU  74 101.685   4.354   0.100
  481   HD13  LEU  74          HD13      LEU  74 102.593   4.886  -1.310
  482   HD21  LEU  74          HD21      LEU  74 101.671   5.238  -3.316
  483   HD22  LEU  74          HD22      LEU  74 100.016   4.816  -3.740
  484   HD23  LEU  74          HD23      LEU  74 101.247   3.560  -3.643
  485    H    CYS  75           HN       CYS  75 100.777   3.598   1.939
  486    HA   CYS  75           HA       CYS  75  98.943   5.904   2.224
  487    HB2  CYS  75           HB2      CYS  75 100.134   4.423   4.560
  488    HB3  CYS  75           HB1      CYS  75  98.830   5.609   4.564
  489    H    GLN  76           HN       GLN  76  99.865   7.821   2.929
  490    HA   GLN  76           HA       GLN  76 102.810   7.943   2.741
  491    HB2  GLN  76           HB2      GLN  76 101.549   9.249   1.090
  492    HB3  GLN  76           HB1      GLN  76 100.728  10.110   2.392
  493    HG2  GLN  76           HG2      GLN  76 102.720  11.183   3.092
  494    HG3  GLN  76           HG1      GLN  76 103.741  10.061   2.201
  495   HE21  GLN  76          HE21      GLN  76 101.141  10.744   0.188
  496   HE22  GLN  76          HE22      GLN  76 101.826  12.017  -0.698
  497    H    ARG  77           HN       ARG  77 104.006   8.624   4.409
  498    HA   ARG  77           HA       ARG  77 102.681   9.073   6.959
  499    HB2  ARG  77           HB2      ARG  77 105.461   9.351   7.367
  500    HB3  ARG  77           HB1      ARG  77 104.507   7.897   7.645
  501    HG2  ARG  77           HG2      ARG  77 104.934   7.132   5.382
  502    HG3  ARG  77           HG1      ARG  77 105.734   8.653   4.991
  503    HD2  ARG  77           HD2      ARG  77 107.379   6.873   5.477
  504    HD3  ARG  77           HD1      ARG  77 107.484   8.189   6.642
  505    HE   ARG  77           HE       ARG  77 106.668   6.747   8.298
  506   HH11  ARG  77          HH11      ARG  77 106.140   4.680   9.063
  507   HH12  ARG  77          HH12      ARG  77 105.911   3.378   7.944
  508   HH21  ARG  77          HH21      ARG  77 106.496   5.334   5.140
  509   HH22  ARG  77          HH22      ARG  77 106.096   3.752   5.721
  510    HA   PRO  78           HA       PRO  78 103.009  13.460   7.418
  511    HB2  PRO  78           HB2      PRO  78 105.027  13.150   9.615
  512    HB3  PRO  78           HB1      PRO  78 103.488  14.036   9.613
  513    HG2  PRO  78           HG2      PRO  78 103.740  11.693  10.865
  514    HG3  PRO  78           HG1      PRO  78 102.242  12.141  10.027
  515    HD2  PRO  78           HD2      PRO  78 104.358  10.201   9.189
  516    HD3  PRO  78           HD1      PRO  78 102.608  10.167   8.892
  517    H    ASP  79           HN       ASP  79 106.066  11.707   7.427
  518    HA   ASP  79           HA       ASP  79 107.718  13.922   6.727
  519    HB2  ASP  79           HB2      ASP  79 108.087  10.931   6.497
  520    HB3  ASP  79           HB1      ASP  79 109.326  12.091   6.024
  521    H    GLY  80           HN       GLY  80 105.326  12.305   5.091
  522    HA2  GLY  80           HA2      GLY  80 104.528  12.698   2.958
  523    HA3  GLY  80           HA1      GLY  80 105.994  13.598   2.591
  524    H    ALA  81           HN       ALA  81 106.575  10.549   3.986
  525    HA   ALA  81           HA       ALA  81 107.666   9.565   1.466
  526    HB1  ALA  81           HB1      ALA  81 107.932   8.854   4.356
  527    HB2  ALA  81           HB2      ALA  81 109.182   9.082   3.139
  528    HB3  ALA  81           HB3      ALA  81 108.253   7.584   3.175
  529    H    LEU  82           HN       LEU  82 106.964   7.850   0.322
  530    HA   LEU  82           HA       LEU  82 104.247   6.887   0.869
  531    HB2  LEU  82           HB2      LEU  82 106.089   6.948  -1.505
  532    HB3  LEU  82           HB1      LEU  82 104.804   5.743  -1.477
  533    HG   LEU  82           HG       LEU  82 103.115   7.464  -1.227
  534   HD11  LEU  82          HD11      LEU  82 104.057   9.930  -1.519
  535   HD12  LEU  82          HD12      LEU  82 105.500   9.234  -0.780
  536   HD13  LEU  82          HD13      LEU  82 103.958   9.182   0.073
  537   HD21  LEU  82          HD21      LEU  82 103.684   8.837  -3.363
  538   HD22  LEU  82          HD22      LEU  82 103.571   7.086  -3.509
  539   HD23  LEU  82          HD23      LEU  82 105.151   7.861  -3.424
  540    H    TYR  83           HN       TYR  83 103.785   4.862   1.539
  541    HA   TYR  83           HA       TYR  83 105.696   2.694   1.196
  542    HB2  TYR  83           HB2      TYR  83 105.933   2.180   3.539
  543    HB3  TYR  83           HB1      TYR  83 106.387   3.869   3.320
  544    HD1  TYR  83           HD1      TYR  83 104.307   1.620   5.139
  545    HD2  TYR  83           HD2      TYR  83 104.466   5.636   3.616
  546    HE1  TYR  83           HE1      TYR  83 102.544   2.297   6.743
  547    HE2  TYR  83           HE2      TYR  83 102.703   6.312   5.227
  548    HH   TYR  83           HH       TYR  83 101.778   4.394   7.850
  549    H    GLY  84           HN       GLY  84 104.746   0.631   1.503
  550    HA2  GLY  84           HA2      GLY  84 101.837   0.609   1.253
  551    HA3  GLY  84           HA1      GLY  84 102.918  -0.769   1.059
  552    H    SER  85           HN       SER  85 100.446   0.003   2.841
  553    HA   SER  85           HA       SER  85 101.591  -1.044   5.377
  554    HB2  SER  85           HB2      SER  85 100.227   0.368   6.628
  555    HB3  SER  85           HB1      SER  85 100.686   1.409   5.284
  556    HG   SER  85           HG       SER  85  98.410  -0.218   5.053
  557    H    LEU  86           HN       LEU  86 100.757  -2.854   6.109
  558    HA   LEU  86           HA       LEU  86  98.824  -4.333   4.657
  559    HB2  LEU  86           HB2      LEU  86 100.743  -5.042   6.382
  560    HB3  LEU  86           HB1      LEU  86  99.414  -4.968   7.529
  561    HG   LEU  86           HG       LEU  86  99.539  -7.229   6.728
  562   HD11  LEU  86          HD11      LEU  86  97.339  -7.579   6.003
  563   HD12  LEU  86          HD12      LEU  86  97.296  -6.077   5.081
  564   HD13  LEU  86          HD13      LEU  86  97.254  -6.034   6.847
  565   HD21  LEU  86          HD21      LEU  86  99.095  -6.451   3.855
  566   HD22  LEU  86          HD22      LEU  86  99.845  -7.894   4.530
  567   HD23  LEU  86          HD23      LEU  86 100.733  -6.377   4.510
  568    H    HIS  87           HN       HIS  87  98.693  -2.236   7.459
  569    HA   HIS  87           HA       HIS  87  95.847  -2.786   7.918
  570    HB2  HIS  87           HB2      HIS  87  97.247  -2.623   9.883
  571    HB3  HIS  87           HB1      HIS  87  97.878  -1.064   9.357
  572    HD2  HIS  87           HD2      HIS  87  94.082  -2.234   9.782
  573    HE1  HIS  87           HE1      HIS  87  94.674   1.387  11.872
  574    HE2  HIS  87           HE2      HIS  87  92.956  -0.367  11.219
  575    H    PHE  88           HN       PHE  88  94.255  -1.165   7.823
  576    HA   PHE  88           HA       PHE  88  94.767   0.889   5.803
  577    HB2  PHE  88           HB2      PHE  88  92.842  -0.455   5.398
  578    HB3  PHE  88           HB1      PHE  88  92.273  -0.261   7.051
  579    HD1  PHE  88           HD1      PHE  88  93.448   2.160   4.401
  580    HD2  PHE  88           HD2      PHE  88  90.317   1.003   7.110
  581    HE1  PHE  88           HE1      PHE  88  92.093   4.107   3.684
  582    HE2  PHE  88           HE2      PHE  88  88.977   2.954   6.390
  583    HZ   PHE  88           HZ       PHE  88  89.866   4.508   4.677
  584    H    ASP  89           HN       ASP  89  94.881   2.996   6.194
  585    HA   ASP  89           HA       ASP  89  94.003   4.090   8.798
  586    HB2  ASP  89           HB2      ASP  89  96.443   3.638   8.849
  587    HB3  ASP  89           HB1      ASP  89  96.641   4.695   7.454
  588    HA   PRO  90           HA       PRO  90  92.120   6.553   5.373
  589    HB2  PRO  90           HB2      PRO  90  90.860   7.891   7.734
  590    HB3  PRO  90           HB1      PRO  90  90.105   7.265   6.255
  591    HG2  PRO  90           HG2      PRO  90  89.919   5.996   8.613
  592    HG3  PRO  90           HG1      PRO  90  89.970   5.127   7.074
  593    HD2  PRO  90           HD2      PRO  90  92.091   5.401   9.153
  594    HD3  PRO  90           HD1      PRO  90  91.809   4.078   7.999
  595    H    GLU  91           HN       GLU  91  93.370   7.821   8.420
  596    HA   GLU  91           HA       GLU  91  93.712  10.496   7.698
  597    HB2  GLU  91           HB2      GLU  91  95.234   8.762   9.651
  598    HB3  GLU  91           HB1      GLU  91  95.513  10.494   9.490
  599    HG2  GLU  91           HG2      GLU  91  93.939  10.400  11.225
  600    HG3  GLU  91           HG1      GLU  91  92.922  10.705   9.822
  601    H    ALA  92           HN       ALA  92  95.457   7.773   6.513
  602    HA   ALA  92           HA       ALA  92  97.420   9.623   5.271
  603    HB1  ALA  92           HB1      ALA  92  99.130   7.762   5.611
  604    HB2  ALA  92           HB2      ALA  92  97.987   7.063   6.758
  605    HB3  ALA  92           HB3      ALA  92  98.659   8.667   7.050
  606    H    CYS  93           HN       CYS  93  95.473   6.736   5.025
  607    HA   CYS  93           HA       CYS  93  96.648   5.995   2.455
  608    HB2  CYS  93           HB2      CYS  93  94.293   4.733   3.830
  609    HB3  CYS  93           HB1      CYS  93  95.348   4.019   2.611
  610    H    SER  94           HN       SER  94  94.104   7.997   3.542
  611    HA   SER  94           HA       SER  94  92.422   7.651   1.208
  612    HB2  SER  94           HB2      SER  94  92.436   9.623   3.494
  613    HB3  SER  94           HB1      SER  94  91.322   9.757   2.146
  614    HG   SER  94           HG       SER  94  91.632   7.562   3.918
  615    H    PHE  95           HN       PHE  95  92.301   9.034  -0.559
  616    HA   PHE  95           HA       PHE  95  94.237  11.252  -0.704
  617    HB2  PHE  95           HB2      PHE  95  93.966   9.078  -2.788
  618    HB3  PHE  95           HB1      PHE  95  94.990  10.506  -2.904
  619    HD1  PHE  95           HD1      PHE  95  94.659   7.154  -1.536
  620    HD2  PHE  95           HD2      PHE  95  96.875  10.823  -1.256
  621    HE1  PHE  95           HE1      PHE  95  96.475   5.965  -0.345
  622    HE2  PHE  95           HE2      PHE  95  98.692   9.631  -0.063
  623    HZ   PHE  95           HZ       PHE  95  98.500   7.201   0.381
  624    H    ARG  96           HN       ARG  96  93.687  12.875  -2.083
  625    HA   ARG  96           HA       ARG  96  90.881  12.991  -2.904
  626    HB2  ARG  96           HB2      ARG  96  91.796  14.851  -1.583
  627    HB3  ARG  96           HB1      ARG  96  93.027  15.129  -2.814
  628    HG2  ARG  96           HG2      ARG  96  91.303  15.659  -4.468
  629    HG3  ARG  96           HG1      ARG  96  90.036  15.284  -3.298
  630    HD2  ARG  96           HD2      ARG  96  90.765  17.108  -1.860
  631    HD3  ARG  96           HD1      ARG  96  92.133  17.438  -2.917
  632    HE   ARG  96           HE       ARG  96  90.679  18.497  -4.415
  633   HH11  ARG  96          HH11      ARG  96  88.675  19.428  -4.927
  634   HH12  ARG  96          HH12      ARG  96  87.270  19.012  -4.003
  635   HH21  ARG  96          HH21      ARG  96  88.975  16.841  -1.901
  636   HH22  ARG  96          HH22      ARG  96  87.440  17.542  -2.289
  637    H    GLU  97           HN       GLU  97  90.231  13.242  -5.007
  638    HA   GLU  97           HA       GLU  97  92.202  12.550  -7.065
  639    HB2  GLU  97           HB2      GLU  97  89.184  12.761  -7.083
  640    HB3  GLU  97           HB1      GLU  97  90.143  12.410  -8.520
  641    HG2  GLU  97           HG2      GLU  97  91.113  10.438  -7.372
  642    HG3  GLU  97           HG1      GLU  97  90.103  10.775  -5.967
  643    H    LEU  98           HN       LEU  98  93.256  14.128  -8.049
  644    HA   LEU  98           HA       LEU  98  91.933  16.757  -8.432
  645    HB2  LEU  98           HB2      LEU  98  94.882  16.086  -8.588
  646    HB3  LEU  98           HB1      LEU  98  94.155  17.689  -8.631
  647    HG   LEU  98           HG       LEU  98  94.002  15.772  -6.284
  648   HD11  LEU  98          HD11      LEU  98  95.710  18.202  -6.862
  649   HD12  LEU  98          HD12      LEU  98  96.247  16.575  -6.443
  650   HD13  LEU  98          HD13      LEU  98  95.461  17.583  -5.228
  651   HD21  LEU  98          HD21      LEU  98  92.931  18.551  -6.801
  652   HD22  LEU  98          HD22      LEU  98  93.249  17.988  -5.159
  653   HD23  LEU  98          HD23      LEU  98  92.078  17.144  -6.166
  654    H    LEU  99           HN       LEU  99  91.364  17.309 -10.446
  655    HA   LEU  99           HA       LEU  99  92.690  15.937 -12.713
  656    HB2  LEU  99           HB2      LEU  99  89.849  16.113 -12.037
  657    HB3  LEU  99           HB1      LEU  99  90.157  16.769 -13.638
  658    HG   LEU  99           HG       LEU  99  89.639  14.356 -13.719
  659   HD11  LEU  99          HD11      LEU  99  91.179  13.876 -15.362
  660   HD12  LEU  99          HD12      LEU  99  92.548  14.456 -14.424
  661   HD13  LEU  99          HD13      LEU  99  91.470  15.607 -15.209
  662   HD21  LEU  99          HD21      LEU  99  92.257  13.705 -12.404
  663   HD22  LEU  99          HD22      LEU  99  90.810  12.718 -12.571
  664   HD23  LEU  99          HD23      LEU  99  90.850  14.025 -11.390
  665    H    LEU 100           HN       LEU 100  93.501  17.135 -14.262
  666    HA   LEU 100           HA       LEU 100  93.177  20.074 -14.062
  667    HB2  LEU 100           HB2      LEU 100  95.361  18.425 -15.361
  668    HB3  LEU 100           HB1      LEU 100  95.301  20.185 -15.303
  669    HG   LEU 100           HG       LEU 100  95.393  18.367 -12.873
  670   HD11  LEU 100          HD11      LEU 100  97.537  18.238 -13.856
  671   HD12  LEU 100          HD12      LEU 100  97.705  19.531 -12.671
  672   HD13  LEU 100          HD13      LEU 100  97.501  19.921 -14.380
  673   HD21  LEU 100          HD21      LEU 100  96.059  20.740 -11.875
  674   HD22  LEU 100          HD22      LEU 100  94.365  20.314 -12.084
  675   HD23  LEU 100          HD23      LEU 100  95.165  21.346 -13.269
  676    H    GLU 101           HN       GLU 101  92.509  21.244 -15.796
  677    HA   GLU 101           HA       GLU 101  90.857  20.114 -17.726
  678    HB2  GLU 101           HB2      GLU 101  90.877  22.519 -17.130
  679    HB3  GLU 101           HB1      GLU 101  92.429  22.694 -17.949
  680    HG2  GLU 101           HG2      GLU 101  91.418  21.992 -20.067
  681    HG3  GLU 101           HG1      GLU 101  89.870  21.740 -19.263
  682    H    ASP 102           HN       ASP 102  94.280  20.353 -17.593
  683    HA   ASP 102           HA       ASP 102  94.816  20.059 -20.384
  684    HB2  ASP 102           HB2      ASP 102  96.476  19.693 -17.898
  685    HB3  ASP 102           HB1      ASP 102  97.124  19.437 -19.518
  686    H    GLY 103           HN       GLY 103  93.636  17.878 -18.063
  687    HA2  GLY 103           HA2      GLY 103  92.940  15.688 -18.570
  688    HA3  GLY 103           HA1      GLY 103  94.060  15.654 -19.922
  689    H    TYR 104           HN       TYR 104  95.328  16.760 -16.894
  690    HA   TYR 104           HA       TYR 104  96.706  14.150 -16.530
  691    HB2  TYR 104           HB2      TYR 104  97.596  16.945 -15.783
  692    HB3  TYR 104           HB1      TYR 104  98.465  15.466 -15.372
  693    HD1  TYR 104           HD1      TYR 104  98.041  17.997 -17.843
  694    HD2  TYR 104           HD2      TYR 104  98.988  13.841 -17.352
  695    HE1  TYR 104           HE1      TYR 104  99.086  17.975 -20.090
  696    HE2  TYR 104           HE2      TYR 104 100.040  13.817 -19.597
  697    HH   TYR 104           HH       TYR 104 101.159  15.750 -21.125
  698    H    ASN 105           HN       ASN 105  96.532  13.115 -14.609
  699    HA   ASN 105           HA       ASN 105  94.798  14.372 -12.556
  700    HB2  ASN 105           HB2      ASN 105  95.313  11.416 -12.850
  701    HB3  ASN 105           HB1      ASN 105  93.995  12.225 -12.007
  702   HD21  ASN 105          HD21      ASN 105  92.252  11.349 -13.225
  703   HD22  ASN 105          HD22      ASN 105  92.036  11.661 -14.879
  704    H    VAL 106           HN       VAL 106  95.338  14.283 -10.399
  705    HA   VAL 106           HA       VAL 106  97.921  13.079  -9.641
  706    HB   VAL 106           HB       VAL 106  97.225  15.842  -8.654
  707   HG11  VAL 106          HG11      VAL 106  99.833  14.344  -9.064
  708   HG12  VAL 106          HG12      VAL 106  98.996  14.535  -7.523
  709   HG13  VAL 106          HG13      VAL 106  99.672  15.944  -8.342
  710   HG21  VAL 106          HG21      VAL 106  98.844  16.638 -10.479
  711   HG22  VAL 106          HG22      VAL 106  97.219  16.203 -11.009
  712   HG23  VAL 106          HG23      VAL 106  98.558  15.083 -11.261
  713    H    TYR 107           HN       TYR 107  98.119  12.724  -7.354
  714    HA   TYR 107           HA       TYR 107  95.507  12.605  -5.938
  715    HB2  TYR 107           HB2      TYR 107  97.888  10.735  -5.792
  716    HB3  TYR 107           HB1      TYR 107  96.432  10.598  -4.805
  717    HD1  TYR 107           HD1      TYR 107  97.777  10.434  -8.250
  718    HD2  TYR 107           HD2      TYR 107  94.364   9.736  -5.735
  719    HE1  TYR 107           HE1      TYR 107  96.678   9.190 -10.090
  720    HE2  TYR 107           HE2      TYR 107  93.260   8.484  -7.582
  721    HH   TYR 107           HH       TYR 107  93.344   8.167  -9.889
  722    H    GLN 108           HN       GLN 108  95.403  13.351  -3.885
  723    HA   GLN 108           HA       GLN 108  97.871  14.246  -2.519
  724    HB2  GLN 108           HB2      GLN 108  96.985  16.201  -3.686
  725    HB3  GLN 108           HB1      GLN 108  95.385  15.911  -3.007
  726    HG2  GLN 108           HG2      GLN 108  96.208  16.335  -0.758
  727    HG3  GLN 108           HG1      GLN 108  97.864  16.460  -1.352
  728   HE21  GLN 108          HE21      GLN 108  96.535  18.626   0.040
  729   HE22  GLN 108          HE22      GLN 108  96.356  19.904  -1.061
  730    H    SER 109           HN       SER 109  97.800  14.042  -0.288
  731    HA   SER 109           HA       SER 109  95.797  12.336   0.823
  732    HB2  SER 109           HB2      SER 109  98.157  12.501   1.668
  733    HB3  SER 109           HB1      SER 109  97.758  14.088   2.319
  734    HG   SER 109           HG       SER 109  96.522  13.183   3.808
  735    H    GLU 110           HN       GLU 110  93.778  12.956   1.272
  736    HA   GLU 110           HA       GLU 110  92.992  15.684   1.450
  737    HB2  GLU 110           HB2      GLU 110  90.781  14.810   1.882
  738    HB3  GLU 110           HB1      GLU 110  91.540  13.846   0.620
  739    HG2  GLU 110           HG2      GLU 110  90.626  12.212   2.030
  740    HG3  GLU 110           HG1      GLU 110  92.299  12.297   2.572
  741    H    ALA 111           HN       ALA 111  93.886  13.271   3.814
  742    HA   ALA 111           HA       ALA 111  92.676  14.432   6.078
  743    HB1  ALA 111           HB1      ALA 111  93.994  12.955   7.368
  744    HB2  ALA 111           HB2      ALA 111  95.257  12.886   6.138
  745    HB3  ALA 111           HB3      ALA 111  93.701  12.110   5.847
  746    H    HIS 112           HN       HIS 112  96.077  14.718   4.989
  747    HA   HIS 112           HA       HIS 112  96.364  17.065   6.774
  748    HB2  HIS 112           HB2      HIS 112  98.488  15.264   5.615
  749    HB3  HIS 112           HB1      HIS 112  98.730  16.557   6.781
  750    HD2  HIS 112           HD2      HIS 112  98.364  12.861   6.943
  751    HE1  HIS 112           HE1      HIS 112  96.499  14.199  10.486
  752    HE2  HIS 112           HE2      HIS 112  97.411  12.163   9.270
  753    H    GLY 113           HN       GLY 113  96.288  16.144   3.455
  754    HA2  GLY 113           HA2      GLY 113  96.306  17.620   1.624
  755    HA3  GLY 113           HA1      GLY 113  96.923  18.884   2.678
  756    H    LEU 114           HN       LEU 114  98.533  15.857   2.882
  757    HA   LEU 114           HA       LEU 114 101.000  16.975   2.018
  758    HB2  LEU 114           HB2      LEU 114 100.098  14.191   2.725
  759    HB3  LEU 114           HB1      LEU 114 101.729  14.491   2.132
  760    HG   LEU 114           HG       LEU 114 100.688  16.188   4.396
  761   HD11  LEU 114          HD11      LEU 114 101.416  14.557   6.046
  762   HD12  LEU 114          HD12      LEU 114 101.896  13.431   4.777
  763   HD13  LEU 114          HD13      LEU 114 100.194  13.813   5.017
  764   HD21  LEU 114          HD21      LEU 114 103.087  16.133   5.029
  765   HD22  LEU 114          HD22      LEU 114 102.877  16.696   3.371
  766   HD23  LEU 114          HD23      LEU 114 103.411  15.044   3.681
  767    HA   PRO 115           HA       PRO 115 100.395  16.047  -2.341
  768    HB2  PRO 115           HB2      PRO 115 102.880  16.555  -3.286
  769    HB3  PRO 115           HB1      PRO 115 101.835  17.859  -2.684
  770    HG2  PRO 115           HG2      PRO 115 104.060  16.429  -1.283
  771    HG3  PRO 115           HG1      PRO 115 103.724  18.169  -1.362
  772    HD2  PRO 115           HD2      PRO 115 102.998  16.629   0.782
  773    HD3  PRO 115           HD1      PRO 115 102.074  18.062   0.271
  774    H    LEU 116           HN       LEU 116 100.638  14.246  -3.689
  775    HA   LEU 116           HA       LEU 116 102.171  11.999  -2.556
  776    HB2  LEU 116           HB2      LEU 116  99.701  11.840  -3.161
  777    HB3  LEU 116           HB1      LEU 116 100.194  11.940  -4.846
  778    HG   LEU 116           HG       LEU 116 101.634   9.891  -3.198
  779   HD11  LEU 116          HD11      LEU 116  99.821   8.269  -3.341
  780   HD12  LEU 116          HD12      LEU 116  98.763   9.481  -4.058
  781   HD13  LEU 116          HD13      LEU 116  99.312   9.664  -2.396
  782   HD21  LEU 116          HD21      LEU 116 101.880  10.304  -5.722
  783   HD22  LEU 116          HD22      LEU 116 100.272   9.603  -5.885
  784   HD23  LEU 116          HD23      LEU 116 101.592   8.637  -5.228
  785    H    HIS 117           HN       HIS 117 104.092  11.550  -3.345
  786    HA   HIS 117           HA       HIS 117 104.629  11.641  -6.204
  787    HB2  HIS 117           HB2      HIS 117 106.655  13.050  -5.901
  788    HB3  HIS 117           HB1      HIS 117 105.173  13.936  -5.529
  789    HD2  HIS 117           HD2      HIS 117 104.795  14.546  -2.783
  790    HE1  HIS 117           HE1      HIS 117 108.529  13.080  -1.476
  791    HE2  HIS 117           HE2      HIS 117 106.476  14.408  -0.791
  792    H    LEU 118           HN       LEU 118 106.789  10.666  -6.668
  793    HA   LEU 118           HA       LEU 118 107.200   8.362  -5.027
  794    HB2  LEU 118           HB2      LEU 118 108.935   9.406  -7.269
  795    HB3  LEU 118           HB1      LEU 118 108.921   7.766  -6.632
  796    HG   LEU 118           HG       LEU 118 106.541   9.115  -7.940
  797   HD11  LEU 118          HD11      LEU 118 107.053   7.496  -9.799
  798   HD12  LEU 118          HD12      LEU 118 108.571   7.125  -8.980
  799   HD13  LEU 118          HD13      LEU 118 108.273   8.752  -9.590
  800   HD21  LEU 118          HD21      LEU 118 107.063   6.367  -6.791
  801   HD22  LEU 118          HD22      LEU 118 105.866   6.594  -8.065
  802   HD23  LEU 118          HD23      LEU 118 105.680   7.427  -6.524
  803    HA   PRO 119           HA       PRO 119 110.310   9.805  -2.183
  804    HB2  PRO 119           HB2      PRO 119 112.108   7.600  -3.147
  805    HB3  PRO 119           HB1      PRO 119 111.634   8.021  -1.488
  806    HG2  PRO 119           HG2      PRO 119 110.569   5.923  -2.706
  807    HG3  PRO 119           HG1      PRO 119 109.580   6.971  -1.673
  808    HD2  PRO 119           HD2      PRO 119 109.663   6.815  -4.667
  809    HD3  PRO 119           HD1      PRO 119 108.286   7.115  -3.583
  810    H    GLY 120           HN       GLY 120 111.916  11.323  -2.272
  811    HA2  GLY 120           HA2      GLY 120 113.522  11.545  -4.764
  812    HA3  GLY 120           HA1      GLY 120 112.756  12.941  -4.014
  813    H    ASN 121           HN       ASN 121 114.067  10.494  -1.931
  814    HA   ASN 121           HA       ASN 121 115.915  12.401  -0.803
  815    HB2  ASN 121           HB2      ASN 121 115.553   9.451  -0.228
  816    HB3  ASN 121           HB1      ASN 121 116.472  10.588   0.757
  817   HD21  ASN 121          HD21      ASN 121 113.993  12.447  -0.332
  818   HD22  ASN 121          HD22      ASN 121 112.854  12.176   0.899
  819    H    LYS 122           HN       LYS 122 117.333  12.833  -2.549
  820    HA   LYS 122           HA       LYS 122 119.633  11.152  -2.650
  821    HB2  LYS 122           HB2      LYS 122 118.190   9.836  -4.146
  822    HB3  LYS 122           HB1      LYS 122 117.921  11.262  -5.146
  823    HG2  LYS 122           HG2      LYS 122 120.317  11.377  -5.669
  824    HG3  LYS 122           HG1      LYS 122 120.628   9.996  -4.617
  825    HD2  LYS 122           HD2      LYS 122 119.155   8.598  -6.039
  826    HD3  LYS 122           HD1      LYS 122 118.882   9.985  -7.095
  827    HE2  LYS 122           HE2      LYS 122 121.248  10.086  -7.657
  828    HE3  LYS 122           HE1      LYS 122 121.608   8.791  -6.517
  829    HZ1  LYS 122           HZ1      LYS 122 119.754   8.485  -8.813
  830    HZ2  LYS 122           HZ2      LYS 122 120.369   7.259  -7.808
  831    HZ3  LYS 122           HZ3      LYS 122 121.400   8.081  -8.880
  832    H    SER 123           HN       SER 123 117.758  13.787  -4.039
  833    HA   SER 123           HA       SER 123 119.922  15.627  -3.892
  834    HB2  SER 123           HB2      SER 123 120.861  14.534  -5.789
  835    HB3  SER 123           HB1      SER 123 119.291  14.407  -6.578
  836    HG   SER 123           HG       SER 123 119.819  16.966  -5.948
  837    HA   PRO 124           HA       PRO 124 115.444  17.068  -4.509
  838    HB2  PRO 124           HB2      PRO 124 115.127  18.195  -2.013
  839    HB3  PRO 124           HB1      PRO 124 114.728  16.506  -2.385
  840    HG2  PRO 124           HG2      PRO 124 117.187  17.625  -1.103
  841    HG3  PRO 124           HG1      PRO 124 116.245  16.185  -0.668
  842    HD2  PRO 124           HD2      PRO 124 118.560  16.003  -2.068
  843    HD3  PRO 124           HD1      PRO 124 117.210  14.879  -2.342
  844    H    HIS 125           HN       HIS 125 114.896  19.152  -5.111
  845    HA   HIS 125           HA       HIS 125 117.075  21.077  -5.250
  846    HB2  HIS 125           HB2      HIS 125 114.267  21.057  -6.364
  847    HB3  HIS 125           HB1      HIS 125 115.381  22.407  -6.568
  848    HD2  HIS 125           HD2      HIS 125 116.131  22.065  -9.217
  849    HE1  HIS 125           HE1      HIS 125 117.225  17.995  -8.981
  850    HE2  HIS 125           HE2      HIS 125 117.179  20.039 -10.487
  851    H    ARG 126           HN       ARG 126 117.407  22.595  -3.785
  852    HA   ARG 126           HA       ARG 126 115.492  23.165  -1.709
  853    HB2  ARG 126           HB2      ARG 126 117.866  23.172  -1.177
  854    HB3  ARG 126           HB1      ARG 126 118.159  24.432  -2.377
  855    HG2  ARG 126           HG2      ARG 126 116.877  26.035  -1.133
  856    HG3  ARG 126           HG1      ARG 126 116.265  24.790  -0.044
  857    HD2  ARG 126           HD2      ARG 126 119.202  25.471  -0.308
  858    HD3  ARG 126           HD1      ARG 126 118.147  26.193   0.903
  859    HE   ARG 126           HE       ARG 126 117.887  23.396   1.064
  860   HH11  ARG 126          HH11      ARG 126 118.978  22.292   2.717
  861   HH12  ARG 126          HH12      ARG 126 120.342  23.029   3.490
  862   HH21  ARG 126          HH21      ARG 126 120.234  25.895   1.543
  863   HH22  ARG 126          HH22      ARG 126 121.063  25.060   2.813
  864    H    ASP 127           HN       ASP 127 116.120  24.359  -4.834
  865    HA   ASP 127           HA       ASP 127 115.669  27.002  -4.935
  866    HB2  ASP 127           HB2      ASP 127 114.189  24.948  -6.597
  867    HB3  ASP 127           HB1      ASP 127 114.437  26.634  -7.038
  868    HA   PRO 128           HA       PRO 128 111.878  27.897  -2.821
  869    HB2  PRO 128           HB2      PRO 128 111.018  30.144  -4.142
  870    HB3  PRO 128           HB1      PRO 128 112.392  30.145  -3.016
  871    HG2  PRO 128           HG2      PRO 128 112.404  29.983  -6.005
  872    HG3  PRO 128           HG1      PRO 128 113.407  30.977  -4.930
  873    HD2  PRO 128           HD2      PRO 128 114.352  28.683  -5.996
  874    HD3  PRO 128           HD1      PRO 128 114.803  29.189  -4.355
  875    H    ALA 129           HN       ALA 129 109.596  27.779  -3.006
  876    HA   ALA 129           HA       ALA 129 107.596  27.061  -3.868
  877    HB1  ALA 129           HB1      ALA 129 108.678  27.372  -6.659
  878    HB2  ALA 129           HB2      ALA 129 108.287  28.788  -5.684
  879    HB3  ALA 129           HB3      ALA 129 107.032  27.613  -6.072
  880    HA   PRO 130           HA       PRO 130 109.854  22.983  -4.553
  881    HB2  PRO 130           HB2      PRO 130 107.969  22.252  -2.344
  882    HB3  PRO 130           HB1      PRO 130 109.684  21.838  -2.544
  883    HG2  PRO 130           HG2      PRO 130 108.927  23.665  -0.776
  884    HG3  PRO 130           HG1      PRO 130 110.405  23.883  -1.734
  885    HD2  PRO 130           HD2      PRO 130 107.718  25.191  -2.097
  886    HD3  PRO 130           HD1      PRO 130 109.346  25.881  -2.281
  887    H    ARG 131           HN       ARG 131 106.535  24.054  -4.363
  888    HA   ARG 131           HA       ARG 131 105.009  21.895  -5.008
  889    HB2  ARG 131           HB2      ARG 131 104.800  24.545  -6.459
  890    HB3  ARG 131           HB1      ARG 131 103.516  23.365  -6.226
  891    HG2  ARG 131           HG2      ARG 131 104.928  24.679  -3.895
  892    HG3  ARG 131           HG1      ARG 131 103.503  25.385  -4.651
  893    HD2  ARG 131           HD2      ARG 131 102.288  23.231  -4.228
  894    HD3  ARG 131           HD1      ARG 131 103.686  22.662  -3.325
  895    HE   ARG 131           HE       ARG 131 101.825  24.776  -2.509
  896   HH11  ARG 131          HH11      ARG 131 101.921  25.291  -0.310
  897   HH12  ARG 131          HH12      ARG 131 103.221  24.689   0.664
  898   HH21  ARG 131          HH21      ARG 131 104.757  23.005  -1.949
  899   HH22  ARG 131          HH22      ARG 131 104.831  23.408  -0.266
  900    H    GLY 132           HN       GLY 132 105.123  20.348  -6.485
  901    HA2  GLY 132           HA2      GLY 132 105.283  20.640  -9.221
  902    HA3  GLY 132           HA1      GLY 132 106.951  20.469  -8.682
  903    HA   PRO 133           HA       PRO 133 105.002  16.346  -7.288
  904    HB2  PRO 133           HB2      PRO 133 102.323  15.942  -7.588
  905    HB3  PRO 133           HB1      PRO 133 103.004  16.769  -6.171
  906    HG2  PRO 133           HG2      PRO 133 101.776  17.948  -8.633
  907    HG3  PRO 133           HG1      PRO 133 101.521  18.387  -6.933
  908    HD2  PRO 133           HD2      PRO 133 103.192  19.801  -8.561
  909    HD3  PRO 133           HD1      PRO 133 103.497  19.625  -6.817
  910    H    ALA 134           HN       ALA 134 104.890  14.427  -8.518
  911    HA   ALA 134           HA       ALA 134 105.109  14.764 -11.357
  912    HB1  ALA 134           HB1      ALA 134 105.017  12.298  -9.607
  913    HB2  ALA 134           HB2      ALA 134 106.449  13.068 -10.292
  914    HB3  ALA 134           HB3      ALA 134 105.291  12.258 -11.349
  915    H    ARG 135           HN       ARG 135 103.584  14.576 -12.872
  916    HA   ARG 135           HA       ARG 135 100.827  14.275 -12.126
  917    HB2  ARG 135           HB2      ARG 135 100.439  14.426 -14.597
  918    HB3  ARG 135           HB1      ARG 135 101.382  15.764 -13.944
  919    HG2  ARG 135           HG2      ARG 135 103.462  14.677 -14.671
  920    HG3  ARG 135           HG1      ARG 135 102.542  13.312 -15.305
  921    HD2  ARG 135           HD2      ARG 135 101.354  14.848 -16.836
  922    HD3  ARG 135           HD1      ARG 135 102.312  16.190 -16.225
  923    HE   ARG 135           HE       ARG 135 103.235  14.041 -17.990
  924   HH11  ARG 135          HH11      ARG 135 105.266  14.418 -18.939
  925   HH12  ARG 135          HH12      ARG 135 106.249  15.729 -18.376
  926   HH21  ARG 135          HH21      ARG 135 103.987  16.751 -15.962
  927   HH22  ARG 135          HH22      ARG 135 105.523  17.050 -16.705
  928    H    PHE 136           HN       PHE 136  99.527  12.541 -12.295
  929    HA   PHE 136           HA       PHE 136 100.737  10.007 -13.272
  930    HB2  PHE 136           HB2      PHE 136  99.139  10.681 -10.837
  931    HB3  PHE 136           HB1      PHE 136  98.830   9.116 -11.587
  932    HD1  PHE 136           HD1      PHE 136 101.203  11.108  -9.637
  933    HD2  PHE 136           HD2      PHE 136 100.675   7.503 -11.909
  934    HE1  PHE 136           HE1      PHE 136 103.235  10.142  -8.585
  935    HE2  PHE 136           HE2      PHE 136 102.698   6.547 -10.870
  936    HZ   PHE 136           HZ       PHE 136 103.981   7.856  -9.199
  937    H    LEU 137           HN       LEU 137  99.490   8.593 -14.397
  938    HA   LEU 137           HA       LEU 137  96.829   9.483 -15.325
  939    HB2  LEU 137           HB2      LEU 137  99.166   8.532 -16.986
  940    HB3  LEU 137           HB1      LEU 137  97.516   8.593 -17.600
  941    HG   LEU 137           HG       LEU 137  98.559  11.087 -16.290
  942   HD11  LEU 137          HD11      LEU 137  99.586  11.783 -18.484
  943   HD12  LEU 137          HD12      LEU 137  99.492  10.098 -18.996
  944   HD13  LEU 137          HD13      LEU 137 100.495  10.547 -17.616
  945   HD21  LEU 137          HD21      LEU 137  96.253  10.797 -17.318
  946   HD22  LEU 137          HD22      LEU 137  97.051  10.675 -18.886
  947   HD23  LEU 137          HD23      LEU 137  97.180  12.162 -17.944
  948    HA   PRO 138           HA       PRO 138  96.496   5.135 -14.011
  949    HB2  PRO 138           HB2      PRO 138  93.805   4.950 -13.783
  950    HB3  PRO 138           HB1      PRO 138  94.791   5.825 -12.593
  951    HG2  PRO 138           HG2      PRO 138  93.184   6.904 -14.872
  952    HG3  PRO 138           HG1      PRO 138  93.314   7.502 -13.207
  953    HD2  PRO 138           HD2      PRO 138  94.721   8.585 -15.312
  954    HD3  PRO 138           HD1      PRO 138  95.298   8.633 -13.630
  955    H    LEU 139           HN       LEU 139  96.338   3.265 -15.169
  956    HA   LEU 139           HA       LEU 139  95.156   3.411 -17.879
  957    HB2  LEU 139           HB2      LEU 139  97.021   1.199 -17.084
  958    HB3  LEU 139           HB1      LEU 139  96.781   1.945 -18.657
  959    HG   LEU 139           HG       LEU 139  98.121   3.305 -16.298
  960   HD11  LEU 139          HD11      LEU 139  99.344   2.156 -18.822
  961   HD12  LEU 139          HD12      LEU 139  99.405   1.377 -17.242
  962   HD13  LEU 139          HD13      LEU 139 100.203   2.930 -17.490
  963   HD21  LEU 139          HD21      LEU 139  97.686   4.048 -19.200
  964   HD22  LEU 139          HD22      LEU 139  98.825   4.882 -18.144
  965   HD23  LEU 139          HD23      LEU 139  97.103   4.910 -17.778
  966    HA   PRO 140           HA       PRO 140  91.995   0.525 -16.499
  967    HB2  PRO 140           HB2      PRO 140  92.379  -0.886 -19.109
  968    HB3  PRO 140           HB1      PRO 140  90.890  -0.248 -18.382
  969    HG2  PRO 140           HG2      PRO 140  92.108   0.978 -20.431
  970    HG3  PRO 140           HG1      PRO 140  91.267   1.883 -19.159
  971    HD2  PRO 140           HD2      PRO 140  94.209   1.562 -19.607
  972    HD3  PRO 140           HD1      PRO 140  93.304   2.917 -18.898
  973    H    GLY 141           HN       GLY 141  92.219  -1.271 -15.211
  974    HA2  GLY 141           HA2      GLY 141  94.603  -2.620 -14.819
  975    HA3  GLY 141           HA1      GLY 141  93.026  -3.264 -14.375
  Start of MODEL   10
    1    H1   GLY  13           HT1      GLY  13  80.531   0.225 -10.718
    2    H2   GLY  13           HT2      GLY  13  80.592   1.646 -11.649
    3    H3   GLY  13           HT3      GLY  13  80.612   1.737  -9.953
    4    HA2  GLY  13           HA2      GLY  13  82.722   0.114 -11.064
    5    HA3  GLY  13           HA1      GLY  13  82.801   1.818 -11.511
    6    H    GLN  14           HN       GLN  14  81.920  -0.051  -8.594
    7    HA   GLN  14           HA       GLN  14  82.771   1.930  -6.761
    8    HB2  GLN  14           HB2      GLN  14  81.194   0.122  -6.175
    9    HB3  GLN  14           HB1      GLN  14  82.494  -1.057  -6.345
   10    HG2  GLN  14           HG2      GLN  14  83.759   0.089  -4.546
   11    HG3  GLN  14           HG1      GLN  14  82.442   1.246  -4.373
   12   HE21  GLN  14          HE21      GLN  14  83.517  -0.890  -2.457
   13   HE22  GLN  14          HE22      GLN  14  82.146  -1.798  -2.033
   14    H    VAL  15           HN       VAL  15  84.366  -0.911  -8.140
   15    HA   VAL  15           HA       VAL  15  86.954   0.120  -7.145
   16    HB   VAL  15           HB       VAL  15  86.512  -1.710  -5.715
   17   HG11  VAL  15          HG11      VAL  15  85.712  -3.256  -8.197
   18   HG12  VAL  15          HG12      VAL  15  84.614  -2.653  -6.955
   19   HG13  VAL  15          HG13      VAL  15  85.781  -3.915  -6.562
   20   HG21  VAL  15          HG21      VAL  15  88.272  -3.247  -6.230
   21   HG22  VAL  15          HG22      VAL  15  88.764  -1.702  -6.923
   22   HG23  VAL  15          HG23      VAL  15  88.104  -2.964  -7.962
   23    H    ARG  16           HN       ARG  16  88.590   0.121  -8.528
   24    HA   ARG  16           HA       ARG  16  88.319  -1.258 -11.127
   25    HB2  ARG  16           HB2      ARG  16  88.909   1.684 -10.738
   26    HB3  ARG  16           HB1      ARG  16  89.140   0.818 -12.257
   27    HG2  ARG  16           HG2      ARG  16  86.766   0.247 -12.336
   28    HG3  ARG  16           HG1      ARG  16  86.507   1.006 -10.764
   29    HD2  ARG  16           HD2      ARG  16  85.831   2.549 -12.531
   30    HD3  ARG  16           HD1      ARG  16  87.260   3.175 -11.713
   31    HE   ARG  16           HE       ARG  16  88.042   1.617 -13.953
   32   HH11  ARG  16          HH11      ARG  16  88.747   2.713 -15.812
   33   HH12  ARG  16          HH12      ARG  16  88.328   4.377 -16.042
   34   HH21  ARG  16          HH21      ARG  16  86.545   4.610 -13.076
   35   HH22  ARG  16          HH22      ARG  16  87.085   5.454 -14.490
   36    H    GLN  17           HN       GLN  17  90.282  -1.630 -12.203
   37    HA   GLN  17           HA       GLN  17  92.690  -1.511 -10.477
   38    HB2  GLN  17           HB2      GLN  17  93.409  -3.355 -12.216
   39    HB3  GLN  17           HB1      GLN  17  92.332  -3.784 -10.892
   40    HG2  GLN  17           HG2      GLN  17  90.402  -3.517 -12.354
   41    HG3  GLN  17           HG1      GLN  17  91.447  -2.976 -13.665
   42   HE21  GLN  17          HE21      GLN  17  93.564  -5.012 -12.897
   43   HE22  GLN  17          HE22      GLN  17  92.958  -6.495 -13.455
   44    H    ARG  18           HN       ARG  18  94.147   0.020 -11.085
   45    HA   ARG  18           HA       ARG  18  94.643   0.432 -13.957
   46    HB2  ARG  18           HB2      ARG  18  94.103   2.771 -12.124
   47    HB3  ARG  18           HB1      ARG  18  94.314   2.796 -13.873
   48    HG2  ARG  18           HG2      ARG  18  92.249   1.374 -14.072
   49    HG3  ARG  18           HG1      ARG  18  92.007   1.575 -12.338
   50    HD2  ARG  18           HD2      ARG  18  92.207   3.849 -14.329
   51    HD3  ARG  18           HD1      ARG  18  90.700   3.220 -13.667
   52    HE   ARG  18           HE       ARG  18  92.396   3.904 -11.525
   53   HH11  ARG  18          HH11      ARG  18  92.115   5.892 -10.465
   54   HH12  ARG  18          HH12      ARG  18  91.227   7.161 -11.238
   55   HH21  ARG  18          HH21      ARG  18  90.611   5.334 -14.121
   56   HH22  ARG  18          HH22      ARG  18  90.385   6.850 -13.315
   57    H    TYR  19           HN       TYR  19  96.568   1.671 -14.401
   58    HA   TYR  19           HA       TYR  19  98.656   1.333 -12.328
   59    HB2  TYR  19           HB2      TYR  19  98.813   1.899 -15.307
   60    HB3  TYR  19           HB1      TYR  19 100.208   1.812 -14.240
   61    HD1  TYR  19           HD1      TYR  19  97.298  -0.153 -15.503
   62    HD2  TYR  19           HD2      TYR  19 101.174  -0.273 -13.649
   63    HE1  TYR  19           HE1      TYR  19  97.354  -2.618 -15.771
   64    HE2  TYR  19           HE2      TYR  19 101.226  -2.736 -13.916
   65    HH   TYR  19           HH       TYR  19  99.890  -4.568 -14.325
   66    H    LEU  20           HN       LEU  20  99.581   3.132 -11.377
   67    HA   LEU  20           HA       LEU  20  98.486   5.749 -12.143
   68    HB2  LEU  20           HB2      LEU  20  98.995   4.594  -9.689
   69    HB3  LEU  20           HB1      LEU  20 100.422   5.605  -9.892
   70    HG   LEU  20           HG       LEU  20  98.714   7.473 -10.545
   71   HD11  LEU  20          HD11      LEU  20  96.481   7.235  -9.865
   72   HD12  LEU  20          HD12      LEU  20  96.840   5.863  -8.820
   73   HD13  LEU  20          HD13      LEU  20  96.831   5.659 -10.569
   74   HD21  LEU  20          HD21      LEU  20  99.058   6.379  -7.741
   75   HD22  LEU  20          HD22      LEU  20  98.294   7.934  -8.071
   76   HD23  LEU  20          HD23      LEU  20  99.980   7.669  -8.514
   77    H    TYR  21           HN       TYR  21  99.503   6.901 -13.619
   78    HA   TYR  21           HA       TYR  21 102.475   6.768 -13.770
   79    HB2  TYR  21           HB2      TYR  21 101.760   5.679 -15.719
   80    HB3  TYR  21           HB1      TYR  21 100.372   6.741 -15.923
   81    HD1  TYR  21           HD1      TYR  21 104.115   7.025 -15.675
   82    HD2  TYR  21           HD2      TYR  21 100.523   8.326 -17.637
   83    HE1  TYR  21           HE1      TYR  21 105.456   8.475 -17.174
   84    HE2  TYR  21           HE2      TYR  21 101.865   9.767 -19.139
   85    HH   TYR  21           HH       TYR  21 104.282   9.783 -19.996
   86    H    THR  22           HN       THR  22 103.570   8.629 -13.793
   87    HA   THR  22           HA       THR  22 102.117  11.183 -14.146
   88    HB   THR  22           HB       THR  22 102.402  10.975 -11.767
   89    HG1  THR  22           HG1      THR  22 104.603  12.488 -12.024
   90   HG21  THR  22          HG21      THR  22 104.587  10.489 -10.780
   91   HG22  THR  22          HG22      THR  22 105.296  10.371 -12.392
   92   HG23  THR  22          HG23      THR  22 104.101   9.187 -11.864
   93    H    SER  23           HN       SER  23 103.548  12.980 -14.709
   94    HA   SER  23           HA       SER  23 105.926  12.055 -16.232
   95    HB2  SER  23           HB2      SER  23 105.528  13.860 -17.762
   96    HB3  SER  23           HB1      SER  23 104.004  13.003 -17.549
   97    HG   SER  23           HG       SER  23 103.393  15.023 -17.183
   98    H    GLY  24           HN       GLY  24 107.840  13.064 -15.970
   99    HA2  GLY  24           HA2      GLY  24 108.131  15.585 -14.620
  100    HA3  GLY  24           HA1      GLY  24 108.625  14.224 -13.618
  101    HA   PRO  25           HA       PRO  25 112.515  14.185 -15.705
  102    HB2  PRO  25           HB2      PRO  25 113.212  11.565 -15.670
  103    HB3  PRO  25           HB1      PRO  25 113.079  12.519 -14.177
  104    HG2  PRO  25           HG2      PRO  25 111.090  10.639 -15.392
  105    HG3  PRO  25           HG1      PRO  25 111.625  10.766 -13.705
  106    HD2  PRO  25           HD2      PRO  25 109.297  11.898 -14.582
  107    HD3  PRO  25           HD1      PRO  25 110.268  12.609 -13.270
  108    H    HIS  26           HN       HIS  26 113.617  13.624 -17.694
  109    HA   HIS  26           HA       HIS  26 112.094  12.131 -19.713
  110    HB2  HIS  26           HB2      HIS  26 112.528  14.068 -21.339
  111    HB3  HIS  26           HB1      HIS  26 111.233  14.288 -20.163
  112    HD2  HIS  26           HD2      HIS  26 111.487  16.964 -19.493
  113    HE1  HIS  26           HE1      HIS  26 115.643  16.984 -18.757
  114    HE2  HIS  26           HE2      HIS  26 113.520  18.371 -18.654
  115    H    GLY  27           HN       GLY  27 113.358  11.605 -21.594
  116    HA2  GLY  27           HA2      GLY  27 115.368  11.334 -22.794
  117    HA3  GLY  27           HA1      GLY  27 116.254  12.053 -21.451
  118    H    LEU  28           HN       LEU  28 114.095   9.893 -20.170
  119    HA   LEU  28           HA       LEU  28 116.011   7.627 -20.256
  120    HB2  LEU  28           HB2      LEU  28 114.622   8.918 -17.920
  121    HB3  LEU  28           HB1      LEU  28 115.071   7.216 -17.841
  122    HG   LEU  28           HG       LEU  28 117.122   9.270 -18.681
  123   HD11  LEU  28          HD11      LEU  28 116.213  10.135 -16.582
  124   HD12  LEU  28          HD12      LEU  28 117.801   9.427 -16.283
  125   HD13  LEU  28          HD13      LEU  28 116.342   8.539 -15.841
  126   HD21  LEU  28          HD21      LEU  28 117.228   6.584 -17.253
  127   HD22  LEU  28          HD22      LEU  28 118.634   7.596 -17.578
  128   HD23  LEU  28          HD23      LEU  28 117.723   6.903 -18.915
  129    H    SER  29           HN       SER  29 113.034   7.742 -18.441
  130    HA   SER  29           HA       SER  29 111.485   6.337 -20.445
  131    HB2  SER  29           HB2      SER  29 112.814   4.486 -19.651
  132    HB3  SER  29           HB1      SER  29 112.512   4.933 -17.974
  133    HG   SER  29           HG       SER  29 110.878   3.662 -19.830
  134    H    SER  30           HN       SER  30 109.327   5.676 -19.532
  135    HA   SER  30           HA       SER  30 108.199   7.864 -18.095
  136    HB2  SER  30           HB2      SER  30 106.735   6.883 -19.641
  137    HB3  SER  30           HB1      SER  30 107.148   5.249 -19.130
  138    HG   SER  30           HG       SER  30 106.195   5.915 -17.046
  139    H    CYS  31           HN       CYS  31 107.782   8.109 -15.970
  140    HA   CYS  31           HA       CYS  31 108.706   5.999 -14.159
  141    HB2  CYS  31           HB2      CYS  31 108.408   8.912 -14.048
  142    HB3  CYS  31           HB1      CYS  31 107.786   8.142 -12.595
  143    H    HIS  32           HN       HIS  32 107.343   4.525 -13.439
  144    HA   HIS  32           HA       HIS  32 104.460   5.189 -13.157
  145    HB2  HIS  32           HB2      HIS  32 105.813   2.526 -13.678
  146    HB3  HIS  32           HB1      HIS  32 104.084   2.747 -13.406
  147    HD2  HIS  32           HD2      HIS  32 106.753   3.495 -16.197
  148    HE1  HIS  32           HE1      HIS  32 102.934   4.400 -17.753
  149    HE2  HIS  32           HE2      HIS  32 105.398   4.172 -18.324
  150    H    LEU  33           HN       LEU  33 103.678   5.175 -11.134
  151    HA   LEU  33           HA       LEU  33 105.291   4.900  -8.879
  152    HB2  LEU  33           HB2      LEU  33 102.856   5.898  -9.209
  153    HB3  LEU  33           HB1      LEU  33 102.347   4.293  -8.697
  154    HG   LEU  33           HG       LEU  33 104.161   6.183  -7.162
  155   HD11  LEU  33          HD11      LEU  33 101.876   6.890  -6.984
  156   HD12  LEU  33          HD12      LEU  33 102.249   6.020  -5.497
  157   HD13  LEU  33          HD13      LEU  33 101.314   5.231  -6.767
  158   HD21  LEU  33          HD21      LEU  33 104.978   4.072  -6.579
  159   HD22  LEU  33          HD22      LEU  33 103.396   3.302  -6.726
  160   HD23  LEU  33          HD23      LEU  33 103.747   4.345  -5.349
  161    H    GLU  34           HN       GLU  34 106.123   3.176  -7.914
  162    HA   GLU  34           HA       GLU  34 104.863   0.517  -8.298
  163    HB2  GLU  34           HB2      GLU  34 106.848   0.825  -9.748
  164    HB3  GLU  34           HB1      GLU  34 107.821   1.165  -8.321
  165    HG2  GLU  34           HG2      GLU  34 107.250  -1.086  -7.429
  166    HG3  GLU  34           HG1      GLU  34 106.348  -1.415  -8.908
  167    H    ILE  35           HN       ILE  35 104.604  -0.641  -6.465
  168    HA   ILE  35           HA       ILE  35 105.816   0.437  -3.974
  169    HB   ILE  35           HB       ILE  35 103.408  -1.369  -4.314
  170   HG12  ILE  35          HG12      ILE  35 103.604   1.546  -3.484
  171   HG13  ILE  35          HG11      ILE  35 103.106   0.997  -5.085
  172   HG21  ILE  35          HG21      ILE  35 104.530  -1.808  -2.205
  173   HG22  ILE  35          HG22      ILE  35 103.110  -0.824  -1.863
  174   HG23  ILE  35          HG23      ILE  35 104.710  -0.083  -1.890
  175   HD11  ILE  35          HD11      ILE  35 101.707   0.524  -2.447
  176   HD12  ILE  35          HD12      ILE  35 101.305  -0.376  -3.910
  177   HD13  ILE  35          HD13      ILE  35 101.086   1.372  -3.864
  178    H    ARG  36           HN       ARG  36 107.376  -0.654  -3.053
  179    HA   ARG  36           HA       ARG  36 108.180  -3.247  -4.054
  180    HB2  ARG  36           HB2      ARG  36 109.287  -1.185  -2.204
  181    HB3  ARG  36           HB1      ARG  36 109.885  -2.829  -2.015
  182    HG2  ARG  36           HG2      ARG  36 111.388  -1.791  -3.530
  183    HG3  ARG  36           HG1      ARG  36 110.349  -2.778  -4.550
  184    HD2  ARG  36           HD2      ARG  36 109.000  -0.824  -5.125
  185    HD3  ARG  36           HD1      ARG  36 109.927   0.176  -4.008
  186    HE   ARG  36           HE       ARG  36 111.776  -0.925  -5.762
  187   HH11  ARG  36          HH11      ARG  36 112.480   0.226  -7.586
  188   HH12  ARG  36          HH12      ARG  36 111.478   1.468  -8.260
  189   HH21  ARG  36          HH21      ARG  36 108.950   1.064  -5.922
  190   HH22  ARG  36          HH22      ARG  36 109.479   1.939  -7.319
  191    H    GLU  37           HN       GLU  37 108.568  -5.069  -2.709
  192    HA   GLU  37           HA       GLU  37 106.363  -5.777  -1.063
  193    HB2  GLU  37           HB2      GLU  37 107.682  -7.403  -2.421
  194    HB3  GLU  37           HB1      GLU  37 109.058  -7.137  -1.351
  195    HG2  GLU  37           HG2      GLU  37 107.724  -7.907   0.567
  196    HG3  GLU  37           HG1      GLU  37 106.342  -8.164  -0.497
  197    H    ASP  38           HN       ASP  38 109.535  -4.479  -0.574
  198    HA   ASP  38           HA       ASP  38 109.749  -4.994   2.223
  199    HB2  ASP  38           HB2      ASP  38 111.114  -2.999   0.405
  200    HB3  ASP  38           HB1      ASP  38 111.533  -3.227   2.102
  201    H    GLY  39           HN       GLY  39 107.738  -3.019   0.456
  202    HA2  GLY  39           HA2      GLY  39 106.043  -1.654   1.346
  203    HA3  GLY  39           HA1      GLY  39 106.958  -1.512   2.844
  204    H    THR  40           HN       THR  40 108.925  -1.062   0.117
  205    HA   THR  40           HA       THR  40 109.093   1.811   0.681
  206    HB   THR  40           HB       THR  40 110.914   1.376  -1.329
  207    HG1  THR  40           HG1      THR  40 111.327  -0.923   0.106
  208   HG21  THR  40          HG21      THR  40 111.211   0.844   1.640
  209   HG22  THR  40          HG22      THR  40 111.522   2.358   0.790
  210   HG23  THR  40          HG23      THR  40 112.573   0.967   0.526
  211    H    VAL  41           HN       VAL  41 108.935   3.406  -0.998
  212    HA   VAL  41           HA       VAL  41 107.190   2.595  -3.265
  213    HB   VAL  41           HB       VAL  41 107.045   5.051  -1.504
  214   HG11  VAL  41          HG11      VAL  41 105.012   5.525  -3.033
  215   HG12  VAL  41          HG12      VAL  41 105.775   4.413  -4.170
  216   HG13  VAL  41          HG13      VAL  41 106.613   5.884  -3.679
  217   HG21  VAL  41          HG21      VAL  41 104.902   3.016  -2.158
  218   HG22  VAL  41          HG22      VAL  41 104.911   4.203  -0.854
  219   HG23  VAL  41          HG23      VAL  41 105.998   2.817  -0.790
  220    H    GLY  42           HN       GLY  42 107.694   3.342  -5.236
  221    HA2  GLY  42           HA2      GLY  42 109.319   5.643  -5.735
  222    HA3  GLY  42           HA1      GLY  42 110.234   4.149  -5.948
  223    H    CYS  43           HN       CYS  43 110.017   5.578  -8.181
  224    HA   CYS  43           HA       CYS  43 107.629   4.761  -9.654
  225    HB2  CYS  43           HB2      CYS  43 108.026   6.633 -10.864
  226    HB3  CYS  43           HB1      CYS  43 109.378   6.973  -9.795
  227    H    ALA  44           HN       ALA  44 107.851   3.744 -11.797
  228    HA   ALA  44           HA       ALA  44 110.182   1.925 -12.025
  229    HB1  ALA  44           HB1      ALA  44 108.592   0.421 -11.209
  230    HB2  ALA  44           HB2      ALA  44 108.373   0.261 -12.949
  231    HB3  ALA  44           HB3      ALA  44 107.253   1.244 -12.006
  232    H    ALA  45           HN       ALA  45 110.873   1.525 -14.083
  233    HA   ALA  45           HA       ALA  45 109.614   3.130 -16.240
  234    HB1  ALA  45           HB1      ALA  45 112.451   2.303 -15.670
  235    HB2  ALA  45           HB2      ALA  45 111.803   3.920 -15.949
  236    HB3  ALA  45           HB3      ALA  45 111.955   2.784 -17.292
  237    H    ASP  46           HN       ASP  46 110.044  -0.045 -15.144
  238    HA   ASP  46           HA       ASP  46 109.977  -1.207 -17.851
  239    HB2  ASP  46           HB2      ASP  46 110.241  -2.558 -15.158
  240    HB3  ASP  46           HB1      ASP  46 110.370  -3.344 -16.730
  241    H    GLN  47           HN       GLN  47 107.823  -0.054 -15.680
  242    HA   GLN  47           HA       GLN  47 105.612  -0.504 -15.147
  243    HB2  GLN  47           HB2      GLN  47 105.798  -1.194 -18.081
  244    HB3  GLN  47           HB1      GLN  47 104.269  -1.067 -17.209
  245    HG2  GLN  47           HG2      GLN  47 104.773   1.248 -16.608
  246    HG3  GLN  47           HG1      GLN  47 106.343   1.135 -17.400
  247   HE21  GLN  47          HE21      GLN  47 103.237   2.252 -17.905
  248   HE22  GLN  47          HE22      GLN  47 103.201   2.190 -19.601
  249    H    SER  48           HN       SER  48 105.649  -2.179 -13.678
  250    HA   SER  48           HA       SER  48 105.194  -4.895 -14.784
  251    HB2  SER  48           HB2      SER  48 106.347  -4.729 -12.055
  252    HB3  SER  48           HB1      SER  48 106.765  -5.803 -13.388
  253    HG   SER  48           HG       SER  48 107.736  -3.290 -12.720
  254    HA   PRO  49           HA       PRO  49 101.499  -5.405 -12.435
  255    HB2  PRO  49           HB2      PRO  49 102.778  -7.349 -10.544
  256    HB3  PRO  49           HB1      PRO  49 101.312  -7.532 -11.529
  257    HG2  PRO  49           HG2      PRO  49 103.559  -8.739 -12.231
  258    HG3  PRO  49           HG1      PRO  49 102.511  -7.999 -13.457
  259    HD2  PRO  49           HD2      PRO  49 105.094  -6.973 -12.318
  260    HD3  PRO  49           HD1      PRO  49 104.490  -6.895 -13.988
  261    H    GLU  50           HN       GLU  50 104.333  -5.157 -10.320
  262    HA   GLU  50           HA       GLU  50 103.025  -4.390  -7.971
  263    HB2  GLU  50           HB2      GLU  50 105.351  -3.098  -7.624
  264    HB3  GLU  50           HB1      GLU  50 105.234  -4.851  -7.517
  265    HG2  GLU  50           HG2      GLU  50 106.006  -5.124  -9.776
  266    HG3  GLU  50           HG1      GLU  50 105.910  -3.390 -10.081
  267    H    SER  51           HN       SER  51 103.466  -2.625 -10.891
  268    HA   SER  51           HA       SER  51 103.028  -0.037  -9.635
  269    HB2  SER  51           HB2      SER  51 103.469  -0.971 -12.462
  270    HB3  SER  51           HB1      SER  51 102.865   0.650 -12.141
  271    HG   SER  51           HG       SER  51 104.791   0.391 -10.482
  272    H    LEU  52           HN       LEU  52 101.175  -2.645 -10.409
  273    HA   LEU  52           HA       LEU  52  98.824  -1.200 -11.365
  274    HB2  LEU  52           HB2      LEU  52  99.664  -3.610 -12.015
  275    HB3  LEU  52           HB1      LEU  52  98.866  -4.095 -10.523
  276    HG   LEU  52           HG       LEU  52  97.597  -2.686 -12.881
  277   HD11  LEU  52          HD11      LEU  52  97.846  -5.021 -13.330
  278   HD12  LEU  52          HD12      LEU  52  96.171  -4.793 -12.829
  279   HD13  LEU  52          HD13      LEU  52  97.349  -5.454 -11.695
  280   HD21  LEU  52          HD21      LEU  52  96.554  -3.310 -10.122
  281   HD22  LEU  52          HD22      LEU  52  95.481  -3.095 -11.500
  282   HD23  LEU  52          HD23      LEU  52  96.516  -1.774 -10.986
  283    H    LEU  53           HN       LEU  53  97.566  -0.181  -9.925
  284    HA   LEU  53           HA       LEU  53  97.392  -1.243  -7.154
  285    HB2  LEU  53           HB2      LEU  53  96.944   1.592  -8.102
  286    HB3  LEU  53           HB1      LEU  53  96.962   1.023  -6.434
  287    HG   LEU  53           HG       LEU  53  99.318   0.876  -8.340
  288   HD11  LEU  53          HD11      LEU  53  98.933   3.179  -7.799
  289   HD12  LEU  53          HD12      LEU  53 100.244   2.634  -6.753
  290   HD13  LEU  53          HD13      LEU  53  98.610   2.794  -6.108
  291   HD21  LEU  53          HD21      LEU  53  99.668  -0.840  -6.777
  292   HD22  LEU  53          HD22      LEU  53  98.859   0.035  -5.477
  293   HD23  LEU  53          HD23      LEU  53 100.471   0.521  -6.001
  294    H    GLN  54           HN       GLN  54  95.474  -1.917  -6.466
  295    HA   GLN  54           HA       GLN  54  93.151  -1.673  -8.190
  296    HB2  GLN  54           HB2      GLN  54  93.688  -3.025  -5.548
  297    HB3  GLN  54           HB1      GLN  54  92.039  -2.855  -6.156
  298    HG2  GLN  54           HG2      GLN  54  92.656  -4.008  -8.226
  299    HG3  GLN  54           HG1      GLN  54  94.324  -4.135  -7.678
  300   HE21  GLN  54          HE21      GLN  54  93.181  -4.622  -4.821
  301   HE22  GLN  54          HE22      GLN  54  92.747  -6.262  -4.853
  302    H    LEU  55           HN       LEU  55  91.937   0.076  -8.209
  303    HA   LEU  55           HA       LEU  55  91.977   1.940  -5.954
  304    HB2  LEU  55           HB2      LEU  55  92.279   2.797  -8.232
  305    HB3  LEU  55           HB1      LEU  55  90.720   2.129  -8.706
  306    HG   LEU  55           HG       LEU  55  90.640   3.900  -6.302
  307   HD11  LEU  55          HD11      LEU  55  92.293   5.090  -7.726
  308   HD12  LEU  55          HD12      LEU  55  90.772   5.975  -7.604
  309   HD13  LEU  55          HD13      LEU  55  91.144   5.055  -9.064
  310   HD21  LEU  55          HD21      LEU  55  88.636   2.910  -7.524
  311   HD22  LEU  55          HD22      LEU  55  89.026   3.977  -8.868
  312   HD23  LEU  55          HD23      LEU  55  88.583   4.657  -7.303
  313    H    LYS  56           HN       LYS  56  90.455   1.935  -4.445
  314    HA   LYS  56           HA       LYS  56  87.804   0.735  -5.072
  315    HB2  LYS  56           HB2      LYS  56  89.365   0.685  -2.479
  316    HB3  LYS  56           HB1      LYS  56  87.695   0.145  -2.656
  317    HG2  LYS  56           HG2      LYS  56  88.376  -1.538  -4.298
  318    HG3  LYS  56           HG1      LYS  56  90.039  -0.961  -4.232
  319    HD2  LYS  56           HD2      LYS  56  90.077  -2.819  -2.793
  320    HD3  LYS  56           HD1      LYS  56  89.880  -1.469  -1.679
  321    HE2  LYS  56           HE2      LYS  56  87.473  -1.872  -1.556
  322    HE3  LYS  56           HE1      LYS  56  87.594  -3.138  -2.778
  323    HZ1  LYS  56           HZ1      LYS  56  88.926  -3.172  -0.122
  324    HZ2  LYS  56           HZ2      LYS  56  89.003  -4.401  -1.293
  325    HZ3  LYS  56           HZ3      LYS  56  87.527  -4.042  -0.531
  326    H    ALA  57           HN       ALA  57  86.025   1.870  -4.550
  327    HA   ALA  57           HA       ALA  57  86.427   4.649  -3.690
  328    HB1  ALA  57           HB1      ALA  57  85.154   4.384  -5.708
  329    HB2  ALA  57           HB2      ALA  57  84.037   4.882  -4.436
  330    HB3  ALA  57           HB3      ALA  57  84.098   3.193  -4.946
  331    H    LEU  58           HN       LEU  58  86.565   4.691  -1.507
  332    HA   LEU  58           HA       LEU  58  84.952   3.095   0.241
  333    HB2  LEU  58           HB2      LEU  58  86.306   5.720   0.883
  334    HB3  LEU  58           HB1      LEU  58  85.841   4.455   2.016
  335    HG   LEU  58           HG       LEU  58  87.926   4.196  -0.170
  336   HD11  LEU  58          HD11      LEU  58  88.986   5.457   1.474
  337   HD12  LEU  58          HD12      LEU  58  89.337   3.829   2.045
  338   HD13  LEU  58          HD13      LEU  58  88.035   4.760   2.784
  339   HD21  LEU  58          HD21      LEU  58  88.394   2.033   1.206
  340   HD22  LEU  58          HD22      LEU  58  87.024   2.028   0.099
  341   HD23  LEU  58          HD23      LEU  58  86.758   2.250   1.829
  342    H    LYS  59           HN       LYS  59  84.818   6.387  -0.961
  343    HA   LYS  59           HA       LYS  59  81.962   6.577  -0.481
  344    HB2  LYS  59           HB2      LYS  59  82.556   7.343   1.644
  345    HB3  LYS  59           HB1      LYS  59  84.100   7.965   1.076
  346    HG2  LYS  59           HG2      LYS  59  83.072   9.907   0.120
  347    HG3  LYS  59           HG1      LYS  59  81.456   9.240   0.348
  348    HD2  LYS  59           HD2      LYS  59  81.988  10.897   2.095
  349    HD3  LYS  59           HD1      LYS  59  81.763   9.290   2.779
  350    HE2  LYS  59           HE2      LYS  59  84.070   8.988   3.150
  351    HE3  LYS  59           HE1      LYS  59  84.513  10.259   2.008
  352    HZ1  LYS  59           HZ1      LYS  59  84.788  11.079   4.216
  353    HZ2  LYS  59           HZ2      LYS  59  83.218  10.605   4.656
  354    HZ3  LYS  59           HZ3      LYS  59  83.446  11.862   3.536
  355    HA   PRO  60           HA       PRO  60  82.405   8.720  -4.423
  356    HB2  PRO  60           HB2      PRO  60  80.422  10.598  -3.155
  357    HB3  PRO  60           HB1      PRO  60  80.429   9.913  -4.793
  358    HG2  PRO  60           HG2      PRO  60  78.846   8.929  -2.868
  359    HG3  PRO  60           HG1      PRO  60  79.582   7.886  -4.098
  360    HD2  PRO  60           HD2      PRO  60  80.229   8.093  -1.210
  361    HD3  PRO  60           HD1      PRO  60  80.562   6.767  -2.342
  362    H    GLY  61           HN       GLY  61  84.307   9.768  -4.613
  363    HA2  GLY  61           HA2      GLY  61  85.429  11.897  -4.752
  364    HA3  GLY  61           HA1      GLY  61  84.674  12.363  -3.233
  365    H    VAL  62           HN       VAL  62  85.319   9.505  -2.237
  366    HA   VAL  62           HA       VAL  62  88.201   9.954  -1.660
  367    HB   VAL  62           HB       VAL  62  86.007   8.875   0.122
  368   HG11  VAL  62          HG11      VAL  62  89.014   8.921   0.477
  369   HG12  VAL  62          HG12      VAL  62  87.945   7.520   0.547
  370   HG13  VAL  62          HG13      VAL  62  87.891   8.734   1.824
  371   HG21  VAL  62          HG21      VAL  62  86.018  11.272   0.112
  372   HG22  VAL  62          HG22      VAL  62  87.780  11.327   0.195
  373   HG23  VAL  62          HG23      VAL  62  86.847  10.774   1.586
  374    H    ILE  63           HN       ILE  63  89.527   8.313  -2.185
  375    HA   ILE  63           HA       ILE  63  88.366   5.624  -2.654
  376    HB   ILE  63           HB       ILE  63  89.723   5.387  -4.650
  377   HG12  ILE  63          HG12      ILE  63  90.649   7.899  -5.371
  378   HG13  ILE  63          HG11      ILE  63  90.941   7.920  -3.636
  379   HG21  ILE  63          HG21      ILE  63  88.516   6.961  -6.076
  380   HG22  ILE  63          HG22      ILE  63  88.172   7.988  -4.685
  381   HG23  ILE  63          HG23      ILE  63  87.453   6.387  -4.793
  382   HD11  ILE  63          HD11      ILE  63  92.880   7.058  -4.958
  383   HD12  ILE  63          HD12      ILE  63  91.874   5.719  -5.504
  384   HD13  ILE  63          HD13      ILE  63  92.273   5.881  -3.796
  385    H    GLN  64           HN       GLN  64  90.054   3.939  -2.834
  386    HA   GLN  64           HA       GLN  64  92.443   4.465  -1.162
  387    HB2  GLN  64           HB2      GLN  64  90.679   3.375   0.211
  388    HB3  GLN  64           HB1      GLN  64  90.644   2.037  -0.936
  389    HG2  GLN  64           HG2      GLN  64  92.975   1.523  -0.477
  390    HG3  GLN  64           HG1      GLN  64  93.119   2.942   0.559
  391   HE21  GLN  64          HE21      GLN  64  93.671   0.363   1.607
  392   HE22  GLN  64          HE22      GLN  64  92.462  -0.043   2.726
  393    H    ILE  65           HN       ILE  65  94.255   3.230  -1.711
  394    HA   ILE  65           HA       ILE  65  94.036   1.690  -4.240
  395    HB   ILE  65           HB       ILE  65  96.534   2.474  -4.439
  396   HG12  ILE  65          HG12      ILE  65  95.354   4.601  -2.614
  397   HG13  ILE  65          HG11      ILE  65  96.601   3.448  -2.146
  398   HG21  ILE  65          HG21      ILE  65  94.688   3.145  -5.948
  399   HG22  ILE  65          HG22      ILE  65  95.790   4.487  -5.640
  400   HG23  ILE  65          HG23      ILE  65  94.232   4.417  -4.815
  401   HD11  ILE  65          HD11      ILE  65  96.773   5.814  -3.971
  402   HD12  ILE  65          HD12      ILE  65  97.829   4.437  -4.297
  403   HD13  ILE  65          HD13      ILE  65  97.910   5.266  -2.744
  404    H    LEU  66           HN       LEU  66  94.779  -0.302  -4.271
  405    HA   LEU  66           HA       LEU  66  96.540  -1.267  -2.097
  406    HB2  LEU  66           HB2      LEU  66  94.275  -1.884  -1.530
  407    HB3  LEU  66           HB1      LEU  66  93.973  -2.487  -3.146
  408    HG   LEU  66           HG       LEU  66  94.432  -4.206  -1.299
  409   HD11  LEU  66          HD11      LEU  66  96.447  -4.721  -3.420
  410   HD12  LEU  66          HD12      LEU  66  94.808  -4.413  -3.968
  411   HD13  LEU  66          HD13      LEU  66  95.131  -5.727  -2.846
  412   HD21  LEU  66          HD21      LEU  66  97.322  -3.478  -1.774
  413   HD22  LEU  66          HD22      LEU  66  96.659  -4.585  -0.574
  414   HD23  LEU  66          HD23      LEU  66  96.404  -2.851  -0.406
  415    H    GLY  67           HN       GLY  67  98.349  -2.051  -2.963
  416    HA2  GLY  67           HA2      GLY  67  98.611  -2.642  -5.763
  417    HA3  GLY  67           HA1      GLY  67  99.856  -2.838  -4.541
  418    H    VAL  68           HN       VAL  68  98.184  -4.491  -6.758
  419    HA   VAL  68           HA       VAL  68  97.234  -6.775  -5.398
  420    HB   VAL  68           HB       VAL  68  97.136  -7.805  -7.576
  421   HG11  VAL  68          HG11      VAL  68  95.475  -6.080  -7.095
  422   HG12  VAL  68          HG12      VAL  68  95.924  -6.005  -8.798
  423   HG13  VAL  68          HG13      VAL  68  96.576  -4.823  -7.661
  424   HG21  VAL  68          HG21      VAL  68  99.266  -7.333  -8.527
  425   HG22  VAL  68          HG22      VAL  68  99.066  -5.595  -8.304
  426   HG23  VAL  68          HG23      VAL  68  98.119  -6.443  -9.529
  427    H    LYS  69           HN       LYS  69 100.388  -6.144  -6.937
  428    HA   LYS  69           HA       LYS  69 101.419  -8.738  -6.577
  429    HB2  LYS  69           HB2      LYS  69 102.327  -6.828  -8.029
  430    HB3  LYS  69           HB1      LYS  69 103.086  -6.225  -6.561
  431    HG2  LYS  69           HG2      LYS  69 103.542  -9.117  -7.259
  432    HG3  LYS  69           HG1      LYS  69 104.370  -7.904  -8.226
  433    HD2  LYS  69           HD2      LYS  69 105.313  -6.908  -6.161
  434    HD3  LYS  69           HD1      LYS  69 104.518  -8.154  -5.204
  435    HE2  LYS  69           HE2      LYS  69 105.771  -9.898  -6.399
  436    HE3  LYS  69           HE1      LYS  69 106.562  -8.663  -7.380
  437    HZ1  LYS  69           HZ1      LYS  69 107.969  -9.306  -5.546
  438    HZ2  LYS  69           HZ2      LYS  69 106.744  -8.937  -4.429
  439    HZ3  LYS  69           HZ3      LYS  69 107.467  -7.700  -5.342
  440    H    THR  70           HN       THR  70 101.734  -5.835  -4.548
  441    HA   THR  70           HA       THR  70 103.128  -7.402  -2.493
  442    HB   THR  70           HB       THR  70 103.562  -5.270  -1.432
  443    HG1  THR  70           HG1      THR  70 101.441  -4.544  -2.962
  444   HG21  THR  70          HG21      THR  70 104.941  -5.997  -3.399
  445   HG22  THR  70          HG22      THR  70 104.902  -4.248  -3.172
  446   HG23  THR  70          HG23      THR  70 103.915  -4.997  -4.428
  447    H    SER  71           HN       SER  71  99.928  -6.386  -3.187
  448    HA   SER  71           HA       SER  71  97.991  -6.412  -1.932
  449    HB2  SER  71           HB2      SER  71  99.292  -8.754  -1.432
  450    HB3  SER  71           HB1      SER  71  99.130  -8.125   0.204
  451    HG   SER  71           HG       SER  71  96.858  -7.717  -0.461
  452    H    ARG  72           HN       ARG  72 100.171  -4.471  -1.363
  453    HA   ARG  72           HA       ARG  72  99.722  -3.870   1.488
  454    HB2  ARG  72           HB2      ARG  72 101.775  -2.940  -0.523
  455    HB3  ARG  72           HB1      ARG  72 101.543  -2.133   1.023
  456    HG2  ARG  72           HG2      ARG  72 101.978  -4.240   2.202
  457    HG3  ARG  72           HG1      ARG  72 102.199  -5.066   0.662
  458    HD2  ARG  72           HD2      ARG  72 104.102  -3.615   0.137
  459    HD3  ARG  72           HD1      ARG  72 103.860  -2.727   1.639
  460    HE   ARG  72           HE       ARG  72 105.052  -5.366   1.355
  461   HH11  ARG  72          HH11      ARG  72 105.925  -6.225   3.272
  462   HH12  ARG  72          HH12      ARG  72 105.546  -5.489   4.794
  463   HH21  ARG  72          HH21      ARG  72 103.527  -3.035   3.407
  464   HH22  ARG  72          HH22      ARG  72 104.191  -3.682   4.871
  465    H    PHE  73           HN       PHE  73  98.771  -2.006   2.142
  466    HA   PHE  73           HA       PHE  73  97.260  -0.507   0.108
  467    HB2  PHE  73           HB2      PHE  73  97.171  -0.448   3.143
  468    HB3  PHE  73           HB1      PHE  73  96.111   0.477   2.079
  469    HD1  PHE  73           HD1      PHE  73  96.773  -2.755   3.587
  470    HD2  PHE  73           HD2      PHE  73  94.565  -0.744   0.499
  471    HE1  PHE  73           HE1      PHE  73  95.264  -4.713   3.392
  472    HE2  PHE  73           HE2      PHE  73  93.055  -2.704   0.304
  473    HZ   PHE  73           HZ       PHE  73  93.404  -4.687   1.751
  474    H    LEU  74           HN       LEU  74  98.273   1.214  -0.747
  475    HA   LEU  74           HA       LEU  74 100.537   2.443   0.499
  476    HB2  LEU  74           HB2      LEU  74 100.517   2.452  -1.869
  477    HB3  LEU  74           HB1      LEU  74  98.884   3.099  -1.939
  478    HG   LEU  74           HG       LEU  74  99.626   5.261  -1.156
  479   HD11  LEU  74          HD11      LEU  74 102.175   3.773  -0.541
  480   HD12  LEU  74          HD12      LEU  74 101.253   4.870   0.487
  481   HD13  LEU  74          HD13      LEU  74 102.215   5.510  -0.836
  482   HD21  LEU  74          HD21      LEU  74 101.735   4.327  -3.113
  483   HD22  LEU  74          HD22      LEU  74 100.994   5.923  -2.998
  484   HD23  LEU  74          HD23      LEU  74 100.050   4.553  -3.577
  485    H    CYS  75           HN       CYS  75 100.376   3.665   2.237
  486    HA   CYS  75           HA       CYS  75  98.198   5.664   2.387
  487    HB2  CYS  75           HB2      CYS  75  99.501   4.400   4.792
  488    HB3  CYS  75           HB1      CYS  75  98.028   5.363   4.733
  489    H    GLN  76           HN       GLN  76  98.740   7.695   3.216
  490    HA   GLN  76           HA       GLN  76 101.633   8.290   3.155
  491    HB2  GLN  76           HB2      GLN  76 100.281   9.516   1.525
  492    HB3  GLN  76           HB1      GLN  76  99.229  10.100   2.812
  493    HG2  GLN  76           HG2      GLN  76 101.043  11.347   3.818
  494    HG3  GLN  76           HG1      GLN  76 102.207  10.642   2.703
  495   HE21  GLN  76          HE21      GLN  76 102.694  11.978   0.964
  496   HE22  GLN  76          HE22      GLN  76 101.651  13.150   0.315
  497    H    ARG  77           HN       ARG  77 102.649   8.963   4.937
  498    HA   ARG  77           HA       ARG  77 101.155   9.095   7.419
  499    HB2  ARG  77           HB2      ARG  77 103.186   8.711   8.483
  500    HB3  ARG  77           HB1      ARG  77 103.451   7.952   6.926
  501    HG2  ARG  77           HG2      ARG  77 104.470  10.169   6.167
  502    HG3  ARG  77           HG1      ARG  77 104.461  10.628   7.868
  503    HD2  ARG  77           HD2      ARG  77 105.765   8.114   6.801
  504    HD3  ARG  77           HD1      ARG  77 106.632   9.609   7.138
  505    HE   ARG  77           HE       ARG  77 105.323   9.046   9.483
  506   HH11  ARG  77          HH11      ARG  77 106.194   7.728  11.120
  507   HH12  ARG  77          HH12      ARG  77 107.420   6.570  10.729
  508   HH21  ARG  77          HH21      ARG  77 107.455   7.351   7.350
  509   HH22  ARG  77          HH22      ARG  77 108.136   6.358   8.594
  510    HA   PRO  78           HA       PRO  78 100.848  13.422   8.141
  511    HB2  PRO  78           HB2      PRO  78 102.859  13.343  10.365
  512    HB3  PRO  78           HB1      PRO  78 101.198  13.974  10.367
  513    HG2  PRO  78           HG2      PRO  78 101.736  11.664  11.526
  514    HG3  PRO  78           HG1      PRO  78 100.259  11.858  10.562
  515    HD2  PRO  78           HD2      PRO  78 102.829  10.494   9.819
  516    HD3  PRO  78           HD1      PRO  78 101.156   9.990   9.488
  517    H    ASP  79           HN       ASP  79 104.194  12.310   8.265
  518    HA   ASP  79           HA       ASP  79 105.406  14.794   7.622
  519    HB2  ASP  79           HB2      ASP  79 106.341  11.933   7.346
  520    HB3  ASP  79           HB1      ASP  79 107.354  13.319   6.960
  521    H    GLY  80           HN       GLY  80 103.432  12.760   5.853
  522    HA2  GLY  80           HA2      GLY  80 102.675  13.065   3.672
  523    HA3  GLY  80           HA1      GLY  80 104.000  14.188   3.390
  524    H    ALA  81           HN       ALA  81 105.022  11.258   4.823
  525    HA   ALA  81           HA       ALA  81 106.390  10.522   2.365
  526    HB1  ALA  81           HB1      ALA  81 107.146  10.325   4.947
  527    HB2  ALA  81           HB2      ALA  81 107.789   9.269   3.689
  528    HB3  ALA  81           HB3      ALA  81 106.485   8.707   4.727
  529    H    LEU  82           HN       LEU  82 106.134   8.594   1.243
  530    HA   LEU  82           HA       LEU  82 103.461   7.352   1.490
  531    HB2  LEU  82           HB2      LEU  82 105.370   7.867  -0.763
  532    HB3  LEU  82           HB1      LEU  82 104.317   6.466  -0.896
  533    HG   LEU  82           HG       LEU  82 102.342   7.882  -0.600
  534   HD11  LEU  82          HD11      LEU  82 103.181   9.584   0.882
  535   HD12  LEU  82          HD12      LEU  82 102.677  10.386  -0.603
  536   HD13  LEU  82          HD13      LEU  82 104.390  10.094  -0.296
  537   HD21  LEU  82          HD21      LEU  82 102.981   7.651  -2.878
  538   HD22  LEU  82          HD22      LEU  82 104.360   8.733  -2.686
  539   HD23  LEU  82          HD23      LEU  82 102.723   9.381  -2.665
  540    H    TYR  83           HN       TYR  83 103.233   5.260   2.050
  541    HA   TYR  83           HA       TYR  83 105.404   3.365   1.632
  542    HB2  TYR  83           HB2      TYR  83 105.772   2.783   3.908
  543    HB3  TYR  83           HB1      TYR  83 105.876   4.542   3.841
  544    HD1  TYR  83           HD1      TYR  83 104.124   1.701   5.233
  545    HD2  TYR  83           HD2      TYR  83 103.841   5.922   4.496
  546    HE1  TYR  83           HE1      TYR  83 102.290   1.865   6.893
  547    HE2  TYR  83           HE2      TYR  83 102.007   6.088   6.159
  548    HH   TYR  83           HH       TYR  83 100.262   4.503   7.133
  549    H    GLY  84           HN       GLY  84 104.759   1.205   1.750
  550    HA2  GLY  84           HA2      GLY  84 101.903   0.757   1.437
  551    HA3  GLY  84           HA1      GLY  84 103.187  -0.425   1.195
  552    H    SER  85           HN       SER  85 100.658  -0.636   2.765
  553    HA   SER  85           HA       SER  85 101.870  -1.560   5.291
  554    HB2  SER  85           HB2      SER  85 100.320  -0.450   6.645
  555    HB3  SER  85           HB1      SER  85 100.737   0.769   5.448
  556    HG   SER  85           HG       SER  85  98.359  -0.143   6.011
  557    H    LEU  86           HN       LEU  86 100.603  -3.136   6.417
  558    HA   LEU  86           HA       LEU  86  99.091  -4.859   4.610
  559    HB2  LEU  86           HB2      LEU  86 100.572  -5.168   7.150
  560    HB3  LEU  86           HB1      LEU  86  99.091  -6.116   7.090
  561    HG   LEU  86           HG       LEU  86 101.051  -7.383   6.263
  562   HD11  LEU  86          HD11      LEU  86  98.559  -7.420   5.221
  563   HD12  LEU  86          HD12      LEU  86  99.852  -8.455   4.622
  564   HD13  LEU  86          HD13      LEU  86  99.454  -6.968   3.767
  565   HD21  LEU  86          HD21      LEU  86 101.138  -5.626   3.828
  566   HD22  LEU  86          HD22      LEU  86 102.373  -6.708   4.463
  567   HD23  LEU  86          HD23      LEU  86 102.061  -5.165   5.257
  568    H    HIS  87           HN       HIS  87  98.453  -2.398   6.828
  569    HA   HIS  87           HA       HIS  87  95.657  -3.332   7.208
  570    HB2  HIS  87           HB2      HIS  87  95.738  -1.671   9.181
  571    HB3  HIS  87           HB1      HIS  87  96.584  -3.207   9.365
  572    HD2  HIS  87           HD2      HIS  87  99.477  -2.993   9.030
  573    HE1  HIS  87           HE1      HIS  87  99.528   1.189   9.611
  574    HE2  HIS  87           HE2      HIS  87 100.971  -0.896   9.479
  575    H    PHE  88           HN       PHE  88  94.029  -1.688   7.233
  576    HA   PHE  88           HA       PHE  88  94.629   0.510   5.355
  577    HB2  PHE  88           HB2      PHE  88  92.917  -0.837   4.466
  578    HB3  PHE  88           HB1      PHE  88  92.139  -1.044   6.032
  579    HD1  PHE  88           HD1      PHE  88  93.325   2.013   4.178
  580    HD2  PHE  88           HD2      PHE  88  90.013  -0.072   5.958
  581    HE1  PHE  88           HE1      PHE  88  91.853   3.952   3.720
  582    HE2  PHE  88           HE2      PHE  88  88.546   1.869   5.495
  583    HZ   PHE  88           HZ       PHE  88  89.468   3.880   4.381
  584    H    ASP  89           HN       ASP  89  94.561   2.549   5.989
  585    HA   ASP  89           HA       ASP  89  93.242   3.265   8.548
  586    HB2  ASP  89           HB2      ASP  89  95.792   3.110   8.629
  587    HB3  ASP  89           HB1      ASP  89  95.805   4.511   7.560
  588    HA   PRO  90           HA       PRO  90  91.270   5.838   5.262
  589    HB2  PRO  90           HB2      PRO  90  89.841   6.878   7.681
  590    HB3  PRO  90           HB1      PRO  90  89.178   6.332   6.128
  591    HG2  PRO  90           HG2      PRO  90  89.020   4.845   8.357
  592    HG3  PRO  90           HG1      PRO  90  89.194   4.122   6.751
  593    HD2  PRO  90           HD2      PRO  90  91.213   4.367   8.932
  594    HD3  PRO  90           HD1      PRO  90  91.086   3.146   7.647
  595    H    GLU  91           HN       GLU  91  92.283   6.973   8.449
  596    HA   GLU  91           HA       GLU  91  92.465   9.713   7.879
  597    HB2  GLU  91           HB2      GLU  91  93.910   7.996   9.891
  598    HB3  GLU  91           HB1      GLU  91  94.068   9.753   9.833
  599    HG2  GLU  91           HG2      GLU  91  91.656  10.013  10.127
  600    HG3  GLU  91           HG1      GLU  91  91.443   8.262  10.106
  601    H    ALA  92           HN       ALA  92  94.506   7.173   6.762
  602    HA   ALA  92           HA       ALA  92  96.486   9.201   5.857
  603    HB1  ALA  92           HB1      ALA  92  98.200   7.323   6.104
  604    HB2  ALA  92           HB2      ALA  92  96.990   6.497   7.087
  605    HB3  ALA  92           HB3      ALA  92  97.617   8.065   7.593
  606    H    CYS  93           HN       CYS  93  94.678   6.291   5.126
  607    HA   CYS  93           HA       CYS  93  95.998   6.089   2.510
  608    HB2  CYS  93           HB2      CYS  93  94.961   4.164   4.340
  609    HB3  CYS  93           HB1      CYS  93  94.026   4.032   2.855
  610    H    SER  94           HN       SER  94  93.320   7.609   3.788
  611    HA   SER  94           HA       SER  94  91.594   7.225   1.482
  612    HB2  SER  94           HB2      SER  94  90.119   8.802   2.562
  613    HB3  SER  94           HB1      SER  94  90.718   7.703   3.801
  614    HG   SER  94           HG       SER  94  91.343   9.469   4.751
  615    H    PHE  95           HN       PHE  95  91.567   8.470  -0.309
  616    HA   PHE  95           HA       PHE  95  93.156  10.974  -0.317
  617    HB2  PHE  95           HB2      PHE  95  93.158   8.857  -2.479
  618    HB3  PHE  95           HB1      PHE  95  94.047  10.378  -2.504
  619    HD1  PHE  95           HD1      PHE  95  93.986   6.951  -1.279
  620    HD2  PHE  95           HD2      PHE  95  95.860  10.789  -0.798
  621    HE1  PHE  95           HE1      PHE  95  95.877   5.879  -0.092
  622    HE2  PHE  95           HE2      PHE  95  97.747   9.715   0.398
  623    HZ   PHE  95           HZ       PHE  95  97.764   7.259   0.744
  624    H    ARG  96           HN       ARG  96  92.452  12.569  -1.691
  625    HA   ARG  96           HA       ARG  96  89.673  12.298  -2.648
  626    HB2  ARG  96           HB2      ARG  96  90.205  14.157  -1.084
  627    HB3  ARG  96           HB1      ARG  96  91.359  14.787  -2.260
  628    HG2  ARG  96           HG2      ARG  96  89.575  15.090  -3.902
  629    HG3  ARG  96           HG1      ARG  96  88.405  14.363  -2.799
  630    HD2  ARG  96           HD2      ARG  96  90.008  16.852  -2.161
  631    HD3  ARG  96           HD1      ARG  96  88.367  16.878  -2.803
  632    HE   ARG  96           HE       ARG  96  88.141  15.282  -0.610
  633   HH11  ARG  96          HH11      ARG  96  87.701  16.069   1.475
  634   HH12  ARG  96          HH12      ARG  96  88.155  17.687   1.898
  635   HH21  ARG  96          HH21      ARG  96  89.526  18.398  -1.206
  636   HH22  ARG  96          HH22      ARG  96  89.188  19.004   0.381
  637    H    GLU  97           HN       GLU  97  89.142  12.614  -4.782
  638    HA   GLU  97           HA       GLU  97  91.360  12.465  -6.689
  639    HB2  GLU  97           HB2      GLU  97  88.370  12.337  -7.149
  640    HB3  GLU  97           HB1      GLU  97  89.624  11.968  -8.333
  641    HG2  GLU  97           HG2      GLU  97  88.991   9.853  -7.477
  642    HG3  GLU  97           HG1      GLU  97  90.484  10.239  -6.624
  643    H    LEU  98           HN       LEU  98  92.183  14.217  -7.595
  644    HA   LEU  98           HA       LEU  98  90.518  16.665  -7.839
  645    HB2  LEU  98           HB2      LEU  98  93.534  16.424  -7.891
  646    HB3  LEU  98           HB1      LEU  98  92.589  17.909  -7.820
  647    HG   LEU  98           HG       LEU  98  92.639  15.749  -5.690
  648   HD11  LEU  98          HD11      LEU  98  94.714  16.922  -5.617
  649   HD12  LEU  98          HD12      LEU  98  93.710  17.652  -4.364
  650   HD13  LEU  98          HD13      LEU  98  93.930  18.474  -5.908
  651   HD21  LEU  98          HD21      LEU  98  90.507  16.736  -5.515
  652   HD22  LEU  98          HD22      LEU  98  91.094  18.323  -6.013
  653   HD23  LEU  98          HD23      LEU  98  91.470  17.706  -4.404
  654    H    LEU  99           HN       LEU  99  89.817  17.053  -9.842
  655    HA   LEU  99           HA       LEU  99  91.425  16.090 -12.142
  656    HB2  LEU  99           HB2      LEU  99  88.569  15.918 -11.511
  657    HB3  LEU  99           HB1      LEU  99  88.830  16.655 -13.086
  658    HG   LEU  99           HG       LEU  99  88.588  14.163 -13.169
  659   HD11  LEU  99          HD11      LEU  99  91.415  14.722 -14.006
  660   HD12  LEU  99          HD12      LEU  99  90.125  15.675 -14.736
  661   HD13  LEU  99          HD13      LEU  99  90.119  13.920 -14.887
  662   HD21  LEU  99          HD21      LEU  99  89.967  12.704 -12.045
  663   HD22  LEU  99          HD22      LEU  99  90.038  14.043 -10.904
  664   HD23  LEU  99          HD23      LEU  99  91.343  13.802 -12.063
  665    H    LEU 100           HN       LEU 100  92.117  17.458 -13.591
  666    HA   LEU 100           HA       LEU 100  91.446  20.326 -13.292
  667    HB2  LEU 100           HB2      LEU 100  93.846  18.927 -14.497
  668    HB3  LEU 100           HB1      LEU 100  93.597  20.672 -14.515
  669    HG   LEU 100           HG       LEU 100  93.664  19.012 -11.977
  670   HD11  LEU 100          HD11      LEU 100  95.853  18.789 -12.812
  671   HD12  LEU 100          HD12      LEU 100  95.969  20.192 -11.754
  672   HD13  LEU 100          HD13      LEU 100  95.861  20.413 -13.500
  673   HD21  LEU 100          HD21      LEU 100  94.278  21.423 -11.107
  674   HD22  LEU 100          HD22      LEU 100  92.595  21.030 -11.430
  675   HD23  LEU 100          HD23      LEU 100  93.522  21.962 -12.605
  676    H    GLU 101           HN       GLU 101  90.705  21.470 -15.048
  677    HA   GLU 101           HA       GLU 101  89.272  20.166 -17.052
  678    HB2  GLU 101           HB2      GLU 101  88.944  22.541 -16.432
  679    HB3  GLU 101           HB1      GLU 101  90.496  22.936 -17.173
  680    HG2  GLU 101           HG2      GLU 101  89.695  22.165 -19.346
  681    HG3  GLU 101           HG1      GLU 101  88.163  21.667 -18.631
  682    H    ASP 102           HN       ASP 102  92.623  20.850 -16.779
  683    HA   ASP 102           HA       ASP 102  93.330  20.720 -19.532
  684    HB2  ASP 102           HB2      ASP 102  94.900  20.376 -16.982
  685    HB3  ASP 102           HB1      ASP 102  95.640  20.318 -18.580
  686    H    GLY 103           HN       GLY 103  92.352  18.331 -17.294
  687    HA2  GLY 103           HA2      GLY 103  91.883  16.101 -17.911
  688    HA3  GLY 103           HA1      GLY 103  93.050  16.226 -19.220
  689    H    TYR 104           HN       TYR 104  94.151  17.422 -16.178
  690    HA   TYR 104           HA       TYR 104  95.832  14.999 -15.848
  691    HB2  TYR 104           HB2      TYR 104  96.213  17.852 -14.918
  692    HB3  TYR 104           HB1      TYR 104  97.244  16.513 -14.413
  693    HD1  TYR 104           HD1      TYR 104  96.783  19.034 -16.864
  694    HD2  TYR 104           HD2      TYR 104  98.184  15.006 -16.370
  695    HE1  TYR 104           HE1      TYR 104  98.079  19.230 -18.968
  696    HE2  TYR 104           HE2      TYR 104  99.485  15.204 -18.473
  697    HH   TYR 104           HH       TYR 104 100.449  16.936 -19.881
  698    H    ASN 105           HN       ASN 105  95.714  13.798 -14.022
  699    HA   ASN 105           HA       ASN 105  93.718  14.624 -11.988
  700    HB2  ASN 105           HB2      ASN 105  94.660  11.793 -12.388
  701    HB3  ASN 105           HB1      ASN 105  93.137  12.376 -11.718
  702   HD21  ASN 105          HD21      ASN 105  91.531  11.710 -13.163
  703   HD22  ASN 105          HD22      ASN 105  91.608  11.906 -14.847
  704    H    VAL 106           HN       VAL 106  94.239  14.621  -9.861
  705    HA   VAL 106           HA       VAL 106  96.891  13.626  -9.032
  706    HB   VAL 106           HB       VAL 106  95.865  16.279  -8.027
  707   HG11  VAL 106          HG11      VAL 106  97.656  15.130  -6.779
  708   HG12  VAL 106          HG12      VAL 106  98.266  16.600  -7.540
  709   HG13  VAL 106          HG13      VAL 106  98.620  15.025  -8.253
  710   HG21  VAL 106          HG21      VAL 106  97.531  17.256  -9.720
  711   HG22  VAL 106          HG22      VAL 106  95.997  16.682 -10.374
  712   HG23  VAL 106          HG23      VAL 106  97.449  15.696 -10.537
  713    H    TYR 107           HN       TYR 107  97.039  13.221  -6.743
  714    HA   TYR 107           HA       TYR 107  94.396  12.842  -5.434
  715    HB2  TYR 107           HB2      TYR 107  96.863  11.095  -5.320
  716    HB3  TYR 107           HB1      TYR 107  95.407  10.850  -4.353
  717    HD1  TYR 107           HD1      TYR 107  96.831  10.775  -7.758
  718    HD2  TYR 107           HD2      TYR 107  93.339  10.061  -5.360
  719    HE1  TYR 107           HE1      TYR 107  95.776   9.573  -9.654
  720    HE2  TYR 107           HE2      TYR 107  92.286   8.857  -7.256
  721    HH   TYR 107           HH       TYR 107  92.826   9.096 -10.111
  722    H    GLN 108           HN       GLN 108  94.181  13.453  -3.355
  723    HA   GLN 108           HA       GLN 108  96.546  14.394  -1.853
  724    HB2  GLN 108           HB2      GLN 108  95.611  16.377  -2.906
  725    HB3  GLN 108           HB1      GLN 108  93.995  15.953  -2.347
  726    HG2  GLN 108           HG2      GLN 108  94.657  16.257  -0.031
  727    HG3  GLN 108           HG1      GLN 108  96.336  16.508  -0.506
  728   HE21  GLN 108          HE21      GLN 108  94.346  18.388   0.860
  729   HE22  GLN 108          HE22      GLN 108  94.357  19.782  -0.107
  730    H    SER 109           HN       SER 109  96.476  13.907   0.290
  731    HA   SER 109           HA       SER 109  94.536  12.058   1.238
  732    HB2  SER 109           HB2      SER 109  96.346  13.698   3.005
  733    HB3  SER 109           HB1      SER 109  95.742  12.064   3.273
  734    HG   SER 109           HG       SER 109  97.709  11.690   2.489
  735    H    GLU 110           HN       GLU 110  92.545  12.459   1.918
  736    HA   GLU 110           HA       GLU 110  91.569  15.113   2.293
  737    HB2  GLU 110           HB2      GLU 110  89.456  14.142   2.367
  738    HB3  GLU 110           HB1      GLU 110  90.363  12.956   1.439
  739    HG2  GLU 110           HG2      GLU 110  89.249  11.616   3.007
  740    HG3  GLU 110           HG1      GLU 110  90.828  11.841   3.751
  741    H    ALA 111           HN       ALA 111  92.707  12.616   4.451
  742    HA   ALA 111           HA       ALA 111  91.529  13.349   6.842
  743    HB1  ALA 111           HB1      ALA 111  93.071  11.374   6.340
  744    HB2  ALA 111           HB2      ALA 111  93.224  12.124   7.929
  745    HB3  ALA 111           HB3      ALA 111  94.404  12.482   6.665
  746    H    HIS 112           HN       HIS 112  94.677  14.554   5.607
  747    HA   HIS 112           HA       HIS 112  94.388  16.870   7.457
  748    HB2  HIS 112           HB2      HIS 112  96.212  15.225   8.046
  749    HB3  HIS 112           HB1      HIS 112  97.005  15.676   6.538
  750    HD2  HIS 112           HD2      HIS 112  98.393  18.121   6.647
  751    HE1  HIS 112           HE1      HIS 112  97.095  19.287  10.488
  752    HE2  HIS 112           HE2      HIS 112  98.651  19.866   8.567
  753    H    GLY 113           HN       GLY 113  94.551  15.933   4.222
  754    HA2  GLY 113           HA2      GLY 113  94.369  17.365   2.369
  755    HA3  GLY 113           HA1      GLY 113  94.834  18.715   3.393
  756    H    LEU 114           HN       LEU 114  96.805  15.894   3.588
  757    HA   LEU 114           HA       LEU 114  99.110  17.310   2.688
  758    HB2  LEU 114           HB2      LEU 114  98.637  14.403   3.354
  759    HB3  LEU 114           HB1      LEU 114 100.218  15.037   2.903
  760    HG   LEU 114           HG       LEU 114  98.695  16.415   5.103
  761   HD11  LEU 114          HD11      LEU 114  99.637  14.887   6.770
  762   HD12  LEU 114          HD12      LEU 114 100.338  13.897   5.490
  763   HD13  LEU 114          HD13      LEU 114  98.586  14.003   5.664
  764   HD21  LEU 114          HD21      LEU 114 100.884  17.278   4.188
  765   HD22  LEU 114          HD22      LEU 114 101.646  15.794   4.760
  766   HD23  LEU 114          HD23      LEU 114 100.928  16.917   5.913
  767    HA   PRO 115           HA       PRO 115  98.594  16.233  -1.645
  768    HB2  PRO 115           HB2      PRO 115 100.994  17.028  -2.622
  769    HB3  PRO 115           HB1      PRO 115  99.779  18.198  -2.061
  770    HG2  PRO 115           HG2      PRO 115 102.177  17.135  -0.617
  771    HG3  PRO 115           HG1      PRO 115 101.605  18.809  -0.758
  772    HD2  PRO 115           HD2      PRO 115 101.089  17.275   1.443
  773    HD3  PRO 115           HD1      PRO 115  99.965  18.531   0.873
  774    H    LEU 116           HN       LEU 116  99.274  14.598  -3.134
  775    HA   LEU 116           HA       LEU 116 100.957  12.496  -1.907
  776    HB2  LEU 116           HB2      LEU 116  98.556  12.009  -2.584
  777    HB3  LEU 116           HB1      LEU 116  99.066  12.212  -4.255
  778    HG   LEU 116           HG       LEU 116 100.615  10.321  -2.481
  779   HD11  LEU 116          HD11      LEU 116  98.419   9.544  -2.042
  780   HD12  LEU 116          HD12      LEU 116  99.046   8.493  -3.309
  781   HD13  LEU 116          HD13      LEU 116  97.914   9.783  -3.712
  782   HD21  LEU 116          HD21      LEU 116 101.561  10.585  -4.663
  783   HD22  LEU 116          HD22      LEU 116  99.984  10.500  -5.445
  784   HD23  LEU 116          HD23      LEU 116 100.689   9.059  -4.720
  785    H    HIS 117           HN       HIS 117 102.929  12.231  -2.656
  786    HA   HIS 117           HA       HIS 117 103.531  12.487  -5.491
  787    HB2  HIS 117           HB2      HIS 117 105.428  14.065  -5.037
  788    HB3  HIS 117           HB1      HIS 117 103.835  14.790  -4.809
  789    HD2  HIS 117           HD2      HIS 117 103.133  15.284  -2.069
  790    HE1  HIS 117           HE1      HIS 117 106.952  14.392  -0.511
  791    HE2  HIS 117           HE2      HIS 117 104.674  15.370   0.037
  792    H    LEU 118           HN       LEU 118 105.713  11.699  -5.984
  793    HA   LEU 118           HA       LEU 118 106.342   9.359  -4.570
  794    HB2  LEU 118           HB2      LEU 118 107.943  10.971  -6.556
  795    HB3  LEU 118           HB1      LEU 118 108.451   9.395  -5.960
  796    HG   LEU 118           HG       LEU 118 105.788   9.916  -7.316
  797   HD11  LEU 118          HD11      LEU 118 106.723   9.026  -9.330
  798   HD12  LEU 118          HD12      LEU 118 108.212   8.555  -8.510
  799   HD13  LEU 118          HD13      LEU 118 107.849  10.262  -8.772
  800   HD21  LEU 118          HD21      LEU 118 105.451   7.929  -6.149
  801   HD22  LEU 118          HD22      LEU 118 107.157   7.487  -6.181
  802   HD23  LEU 118          HD23      LEU 118 106.166   7.284  -7.623
  803    HA   PRO 119           HA       PRO 119 108.864  10.745  -1.187
  804    HB2  PRO 119           HB2      PRO 119 111.029   8.841  -1.975
  805    HB3  PRO 119           HB1      PRO 119 110.145   8.970  -0.441
  806    HG2  PRO 119           HG2      PRO 119 109.693   6.984  -2.193
  807    HG3  PRO 119           HG1      PRO 119 108.409   7.665  -1.179
  808    HD2  PRO 119           HD2      PRO 119 108.911   8.064  -4.103
  809    HD3  PRO 119           HD1      PRO 119 107.381   8.046  -3.199
  810    H    GLY 120           HN       GLY 120 110.452  12.280  -0.816
  811    HA2  GLY 120           HA2      GLY 120 112.623  12.694  -2.689
  812    HA3  GLY 120           HA1      GLY 120 111.393  13.954  -2.724
  813    H    ASN 121           HN       ASN 121 113.894  12.422  -0.833
  814    HA   ASN 121           HA       ASN 121 113.677  14.488   1.275
  815    HB2  ASN 121           HB2      ASN 121 115.186  11.865   1.185
  816    HB3  ASN 121           HB1      ASN 121 115.209  12.998   2.536
  817   HD21  ASN 121          HD21      ASN 121 113.030  10.885   0.641
  818   HD22  ASN 121          HD22      ASN 121 111.856  10.744   1.859
  819    H    LYS 122           HN       LYS 122 115.018  14.342  -1.600
  820    HA   LYS 122           HA       LYS 122 116.770  15.440  -2.593
  821    HB2  LYS 122           HB2      LYS 122 116.252  17.060  -0.569
  822    HB3  LYS 122           HB1      LYS 122 117.762  16.424   0.078
  823    HG2  LYS 122           HG2      LYS 122 118.962  17.124  -1.935
  824    HG3  LYS 122           HG1      LYS 122 117.456  17.663  -2.679
  825    HD2  LYS 122           HD2      LYS 122 117.151  19.319  -0.875
  826    HD3  LYS 122           HD1      LYS 122 118.662  18.789  -0.136
  827    HE2  LYS 122           HE2      LYS 122 119.890  19.436  -2.178
  828    HE3  LYS 122           HE1      LYS 122 118.380  19.967  -2.917
  829    HZ1  LYS 122           HZ1      LYS 122 119.448  21.051  -0.369
  830    HZ2  LYS 122           HZ2      LYS 122 118.121  21.635  -1.257
  831    HZ3  LYS 122           HZ3      LYS 122 119.696  21.776  -1.882
  832    H    SER 123           HN       SER 123 116.931  12.929  -0.567
  833    HA   SER 123           HA       SER 123 119.761  12.648  -0.194
  834    HB2  SER 123           HB2      SER 123 117.874  10.313  -0.112
  835    HB3  SER 123           HB1      SER 123 119.278  10.649   0.893
  836    HG   SER 123           HG       SER 123 117.743  11.299   2.210
  837    HA   PRO 124           HA       PRO 124 119.115   9.631  -3.984
  838    HB2  PRO 124           HB2      PRO 124 117.217  11.249  -5.608
  839    HB3  PRO 124           HB1      PRO 124 117.217   9.504  -5.290
  840    HG2  PRO 124           HG2      PRO 124 115.417  11.153  -4.173
  841    HG3  PRO 124           HG1      PRO 124 116.042   9.728  -3.322
  842    HD2  PRO 124           HD2      PRO 124 116.774  12.617  -2.949
  843    HD3  PRO 124           HD1      PRO 124 116.587  11.334  -1.734
  844    H    HIS 125           HN       HIS 125 120.312   9.849  -5.959
  845    HA   HIS 125           HA       HIS 125 122.233  11.789  -6.081
  846    HB2  HIS 125           HB2      HIS 125 122.412  11.224  -8.542
  847    HB3  HIS 125           HB1      HIS 125 122.450   9.839  -7.452
  848    HD2  HIS 125           HD2      HIS 125 120.267  11.227 -10.337
  849    HE1  HIS 125           HE1      HIS 125 118.249   7.872  -8.760
  850    HE2  HIS 125           HE2      HIS 125 118.288   9.554 -10.660
  851    H    ARG 126           HN       ARG 126 122.583  13.568  -7.595
  852    HA   ARG 126           HA       ARG 126 120.870  15.658  -7.364
  853    HB2  ARG 126           HB2      ARG 126 123.175  15.748  -8.329
  854    HB3  ARG 126           HB1      ARG 126 122.518  15.134  -9.844
  855    HG2  ARG 126           HG2      ARG 126 120.963  17.086  -9.920
  856    HG3  ARG 126           HG1      ARG 126 121.735  17.718  -8.465
  857    HD2  ARG 126           HD2      ARG 126 123.204  17.100 -11.041
  858    HD3  ARG 126           HD1      ARG 126 122.647  18.705 -10.581
  859    HE   ARG 126           HE       ARG 126 124.171  17.752  -8.451
  860   HH11  ARG 126          HH11      ARG 126 126.367  18.311  -8.264
  861   HH12  ARG 126          HH12      ARG 126 127.246  18.824  -9.665
  862   HH21  ARG 126          HH21      ARG 126 124.545  18.484 -11.812
  863   HH22  ARG 126          HH22      ARG 126 126.218  18.909 -11.676
  864    H    ASP 127           HN       ASP 127 118.827  15.929  -7.886
  865    HA   ASP 127           HA       ASP 127 117.842  15.079 -10.528
  866    HB2  ASP 127           HB2      ASP 127 116.849  14.179  -7.841
  867    HB3  ASP 127           HB1      ASP 127 115.667  14.423  -9.121
  868    HA   PRO 128           HA       PRO 128 115.971  19.074 -10.508
  869    HB2  PRO 128           HB2      PRO 128 113.528  18.576 -11.734
  870    HB3  PRO 128           HB1      PRO 128 115.068  18.729 -12.601
  871    HG2  PRO 128           HG2      PRO 128 113.614  16.260 -11.760
  872    HG3  PRO 128           HG1      PRO 128 114.473  16.601 -13.273
  873    HD2  PRO 128           HD2      PRO 128 115.590  15.087 -11.333
  874    HD3  PRO 128           HD1      PRO 128 116.571  16.176 -12.337
  875    H    ALA 129           HN       ALA 129 114.649  20.344  -9.229
  876    HA   ALA 129           HA       ALA 129 113.666  19.277  -6.846
  877    HB1  ALA 129           HB1      ALA 129 112.507  21.543  -6.636
  878    HB2  ALA 129           HB2      ALA 129 113.181  21.913  -8.224
  879    HB3  ALA 129           HB3      ALA 129 114.255  21.576  -6.868
  880    HA   PRO 130           HA       PRO 130 109.695  17.775  -8.308
  881    HB2  PRO 130           HB2      PRO 130 108.462  17.322  -5.903
  882    HB3  PRO 130           HB1      PRO 130 109.734  16.265  -6.549
  883    HG2  PRO 130           HG2      PRO 130 109.931  18.418  -4.489
  884    HG3  PRO 130           HG1      PRO 130 110.694  16.817  -4.521
  885    HD2  PRO 130           HD2      PRO 130 112.025  19.115  -5.211
  886    HD3  PRO 130           HD1      PRO 130 112.426  17.524  -5.899
  887    H    ARG 131           HN       ARG 131 110.139  20.531  -6.287
  888    HA   ARG 131           HA       ARG 131 108.761  22.297  -5.675
  889    HB2  ARG 131           HB2      ARG 131 109.677  22.716  -7.997
  890    HB3  ARG 131           HB1      ARG 131 108.113  22.206  -8.625
  891    HG2  ARG 131           HG2      ARG 131 107.023  23.961  -7.207
  892    HG3  ARG 131           HG1      ARG 131 108.624  24.497  -6.703
  893    HD2  ARG 131           HD2      ARG 131 107.675  24.401  -9.577
  894    HD3  ARG 131           HD1      ARG 131 107.694  25.852  -8.579
  895    HE   ARG 131           HE       ARG 131 109.985  24.566  -9.801
  896   HH11  ARG 131          HH11      ARG 131 111.946  25.692  -9.565
  897   HH12  ARG 131          HH12      ARG 131 112.075  26.960  -8.393
  898   HH21  ARG 131          HH21      ARG 131 108.813  26.619  -7.274
  899   HH22  ARG 131          HH22      ARG 131 110.306  27.476  -7.088
  900    H    GLY 132           HN       GLY 132 106.468  22.238  -8.123
  901    HA2  GLY 132           HA2      GLY 132 104.278  21.983  -6.387
  902    HA3  GLY 132           HA1      GLY 132 104.203  21.879  -8.144
  903    HA   PRO 133           HA       PRO 133 103.372  17.682  -6.159
  904    HB2  PRO 133           HB2      PRO 133 100.763  17.407  -6.908
  905    HB3  PRO 133           HB1      PRO 133 101.242  18.245  -5.416
  906    HG2  PRO 133           HG2      PRO 133 100.520  19.405  -8.079
  907    HG3  PRO 133           HG1      PRO 133 100.003  19.910  -6.458
  908    HD2  PRO 133           HD2      PRO 133 102.002  21.188  -7.795
  909    HD3  PRO 133           HD1      PRO 133 102.003  21.036  -6.024
  910    H    ALA 134           HN       ALA 134 103.257  15.703  -7.316
  911    HA   ALA 134           HA       ALA 134 103.895  15.937 -10.143
  912    HB1  ALA 134           HB1      ALA 134 104.284  13.480  -9.963
  913    HB2  ALA 134           HB2      ALA 134 103.775  13.557  -8.276
  914    HB3  ALA 134           HB3      ALA 134 105.222  14.418  -8.801
  915    H    ARG 135           HN       ARG 135 102.353  15.973 -11.630
  916    HA   ARG 135           HA       ARG 135  99.654  15.200 -11.133
  917    HB2  ARG 135           HB2      ARG 135  99.386  15.559 -13.599
  918    HB3  ARG 135           HB1      ARG 135 100.117  16.927 -12.759
  919    HG2  ARG 135           HG2      ARG 135 102.365  16.112 -13.426
  920    HG3  ARG 135           HG1      ARG 135 101.605  14.789 -14.311
  921    HD2  ARG 135           HD2      ARG 135 100.418  16.402 -15.730
  922    HD3  ARG 135           HD1      ARG 135 101.144  17.736 -14.841
  923    HE   ARG 135           HE       ARG 135 102.478  15.998 -16.782
  924   HH11  ARG 135          HH11      ARG 135 104.516  16.739 -17.448
  925   HH12  ARG 135          HH12      ARG 135 105.288  18.029 -16.587
  926   HH21  ARG 135          HH21      ARG 135 102.709  18.408 -14.302
  927   HH22  ARG 135          HH22      ARG 135 104.264  18.974 -14.811
  928    H    PHE 136           HN       PHE 136  98.624  13.328 -11.487
  929    HA   PHE 136           HA       PHE 136 100.178  11.081 -12.661
  930    HB2  PHE 136           HB2      PHE 136  98.458  11.292 -10.218
  931    HB3  PHE 136           HB1      PHE 136  98.386   9.779 -11.124
  932    HD1  PHE 136           HD1      PHE 136 100.377  11.840  -8.875
  933    HD2  PHE 136           HD2      PHE 136 100.505   8.508 -11.587
  934    HE1  PHE 136           HE1      PHE 136 102.531  11.105  -7.882
  935    HE2  PHE 136           HE2      PHE 136 102.648   7.776 -10.590
  936    HZ   PHE 136           HZ       PHE 136 103.662   9.069  -8.741
  937    H    LEU 137           HN       LEU 137  99.027   9.523 -13.825
  938    HA   LEU 137           HA       LEU 137  96.357  10.285 -14.833
  939    HB2  LEU 137           HB2      LEU 137  98.859   9.729 -16.422
  940    HB3  LEU 137           HB1      LEU 137  97.254   9.551 -17.127
  941    HG   LEU 137           HG       LEU 137  97.904  12.115 -15.683
  942   HD11  LEU 137          HD11      LEU 137  98.729  11.518 -18.541
  943   HD12  LEU 137          HD12      LEU 137  99.838  11.721 -17.185
  944   HD13  LEU 137          HD13      LEU 137  98.851  13.077 -17.728
  945   HD21  LEU 137          HD21      LEU 137  96.379  11.658 -18.259
  946   HD22  LEU 137          HD22      LEU 137  96.281  13.040 -17.170
  947   HD23  LEU 137          HD23      LEU 137  95.619  11.483 -16.679
  948    HA   PRO 138           HA       PRO 138  96.397   5.846 -13.545
  949    HB2  PRO 138           HB2      PRO 138  93.454   6.274 -13.869
  950    HB3  PRO 138           HB1      PRO 138  94.344   5.539 -12.520
  951    HG2  PRO 138           HG2      PRO 138  93.299   7.986 -12.323
  952    HG3  PRO 138           HG1      PRO 138  94.855   7.581 -11.572
  953    HD2  PRO 138           HD2      PRO 138  94.323   9.149 -14.076
  954    HD3  PRO 138           HD1      PRO 138  95.582   9.385 -12.841
  955    H    LEU 139           HN       LEU 139  96.486   4.118 -14.936
  956    HA   LEU 139           HA       LEU 139  95.314   4.448 -17.638
  957    HB2  LEU 139           HB2      LEU 139  97.439   2.407 -17.075
  958    HB3  LEU 139           HB1      LEU 139  97.092   3.276 -18.562
  959    HG   LEU 139           HG       LEU 139  98.285   4.534 -16.072
  960   HD11  LEU 139          HD11      LEU 139  99.784   2.901 -17.252
  961   HD12  LEU 139          HD12      LEU 139 100.379   4.561 -17.286
  962   HD13  LEU 139          HD13      LEU 139  99.608   3.871 -18.714
  963   HD21  LEU 139          HD21      LEU 139  97.033   6.143 -17.389
  964   HD22  LEU 139          HD22      LEU 139  97.772   5.556 -18.876
  965   HD23  LEU 139          HD23      LEU 139  98.750   6.402 -17.679
  966    HA   PRO 140           HA       PRO 140  92.403   1.226 -16.387
  967    HB2  PRO 140           HB2      PRO 140  92.636   0.347 -19.244
  968    HB3  PRO 140           HB1      PRO 140  91.181   0.664 -18.277
  969    HG2  PRO 140           HG2      PRO 140  92.076   2.393 -20.136
  970    HG3  PRO 140           HG1      PRO 140  91.257   2.924 -18.657
  971    HD2  PRO 140           HD2      PRO 140  94.137   3.144 -19.378
  972    HD3  PRO 140           HD1      PRO 140  93.171   4.118 -18.246
  973    H    GLY 141           HN       GLY 141  92.888  -0.655 -15.403
  974    HA2  GLY 141           HA2      GLY 141  95.134  -2.300 -16.446
  975    HA3  GLY 141           HA1      GLY 141  94.742  -2.127 -14.735